Warning converting TDT: $RXNID<8>ISM<"[CH3:17][P:7]([CH3:16])([CH3:15])[184W:5]12([CH2:8]=[CH2:11]1)([CH2:9]=[CH2:10]2)([P:1]([CH3:2])([CH3:3])[CH3:4])([P:6]([CH3:14])([CH3:13])[CH3:12])[P]([CH3])([CH3])[CH3].[O:19]=[C:18]=[O:20]>>[H-][184W+2:5]123([O-:19][C:18]4=[O:20][184W+2]567([H-])([O-][C](=[O]1)[CH]7=[CH2]5)([CH2]=[CH2]6)([P]([CH3])([CH3])[CH3])[P:6]([CH3:13])([CH3:14])[CH3:12])([CH2:9]=[CH2:10]2)([CH2:8]=[CH:11]43)([P:7]([CH3:17])([CH3:16])[CH3:15])[P:1]([CH3:4])([CH3:3])[CH3:2]">CAN<103:123649>NUM<0002>SEQ<0001>COMPRN<84879232,124389,97749398>ROLESTAGE<0;124389;1;reactant>STAGE<0;84879232;1;reactant>STAGE<0;97749398;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<9>ISM<"[H-:17][98Mo+2:13]123([O-:12][C:9]4=[O][98Mo+2]567([H-])([O-][C](=[O:10]1)[CH]7=[CH2]5)([CH2]=[CH2]6)([P:1]([CH3:3])([CH3:4])[CH3:2])[P:5]([CH3:7])([CH3:8])[CH3:6])([CH2]=[CH2]2)([CH2:14]=[CH:11]43)([P:16]([CH3:23])([CH3:22])[CH3:21])[P:15]([CH3:20])([CH3:19])[CH3:18]>[H][H].[CH3][O][P]([O][CH3])[O][CH3]>[H-:17][98Mo+2:13]1([O-:12][C:9](=[O:10]1)[CH2:11][CH3:14])([P:15]([CH3:18])([CH3:19])[CH3:20])([P:1]([CH3:2])([CH3:3])[CH3:4])([P:16]([CH3:21])([CH3:22])[CH3:23])[P:5]([CH3:6])([CH3:7])[CH3:8]">CAN<103:123649>NUM<0003>SEQ<0001>COMPRN<97732439,1333740,121459,97749401>ROLESTAGE<0;97732439;1;reactant>STAGE<0;121459;1;reagent>STAGE<0;1333740;1;reagent>STAGE<0;97749401;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<10>ISM<"[CH2:1]=[CH2:2].[CH2:3]=[CH2:4].[H-][98Mo+2:9]1([O-][C](=[O]1)[CH2][CH3])([P:5]([CH3:6])([CH3:7])[CH3:8])([P:10]([CH3:13])([CH3:14])[CH3:15])([P:11]([CH3:16])([CH3:17])[CH3:18])[P:12]([CH3:19])([CH3:20])[CH3:21]>[7Li][CH2][CH2][CH2][CH3]>[CH3:21][P:12]([CH3:20])([CH3:19])[98Mo:9]12([CH2:1]=[CH2:2]1)([CH2:3]=[CH2:4]2)([P:5]([CH3:6])([CH3:7])[CH3:8])([P:11]([CH3:18])([CH3:17])[CH3:16])[P:10]([CH3:13])([CH3:14])[CH3:15]">CAN<103:123649>NUM<0004>SEQ<0001>COMPRN<74851,74851,97749401,109728,82044799>ROLESTAGE<0;74851;2;reactant>STAGE<0;97749401;1;reactant>STAGE<0;109728;1;reagent>STAGE<0;82044799;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<11>ISM<"[O]#[C][Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[cH]1[cH][cH][c]([cH][cH]1)[As]([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3.[Br][CH2][Br].[O]#[C][Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[cH]1[cH][cH][c]([cH][cH]1)[As]([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3.[Br][CH2][Br].[O]#[C][Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[cH]1[cH][cH][c]([cH][cH]1)[As]([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3.[Br][CH2][Br]>[CH3][CH2][CH2][CH2][CH2][CH3]>[Br-][Mn+]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[Br-][Mn+]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[As]([c]1[cH][cH][cH][cH][cH]1)([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3.[O]#[C][Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[As]([c]1[cH][cH][cH][cH][cH]1)([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3">CAN<103:123648>NUM<0004>SEQ<0001>COMPRN<10170691,603327,74953,10170691,603327,74953,10170691,603327,74953,110543,14516542,14841066,75039064>ROLESTAGE<0;74953;3;reactant>STAGE<0;603327;3;reactant>STAGE<0;10170691;3;reactant>STAGE<0;110543;1;solvent>STAGE<0;14516542;1;product>STAGE<0;14841066;1;product>STAGE<0;75039064;1;product>NOTES<"PHOTOCHEM. REACTION">| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<12>ISM<"[O]#[C][Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[cH]1[cH][cH][c]([cH][cH]1)[P]([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3.[Cl][C]([Cl])([Cl])[Cl]>[CH3][CH2][CH2][CH2][CH2][CH3]>[O]#[C][Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[P]([c]1[cH][cH][cH][cH][cH]1)([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3.[Cl-][Mn+]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[Cl-][Mn+]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[P]([c]1[cH][cH][cH][cH][cH]1)([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3">CAN<103:123648>NUM<0009>SEQ<0001>COMPRN<10170691,603350,56235,110543,14592268,14100302,14841088>ROLESTAGE<0;56235;1;reactant>STAGE<0;603350;1;reactant>STAGE<0;10170691;1;reactant>STAGE<0;110543;1;solvent>STAGE<0;14100302;1;product>STAGE<0;14592268;1;product>STAGE<0;14841088;1;product>NOTES<"Photochem. reaction">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) (Error buffer overflow) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<13>ISM<"[H-:4][98Mo+2:1]1234([C]#[O])([C:2]#[O:10])([C:3]#[O:11])[CH-:5]5[CH:8]2=[CH:7]3[CH:6]4=[CH:9]51.[H-:15][98Mo+2:12]1234([C]#[O])([C:13]#[O:21])([C:14]#[O:22])[CH-:16]5[CH:19]2=[CH:18]3[CH:17]4=[CH:20]51.[CH3:23][C:24]1([CH3:25])[CH2:26][N:28]2[CH2:30][C:32]([CH3:33])([CH3:34])[O:31][P:29]2[O:27]1.[CH3:35][C:36]1([CH3:37])[CH2:38][N:40]2[CH2:42][C:44]([CH3:45])([CH3:46])[O:43][P:41]2[O:39]1>[CH3][CH2][CH2][CH2][CH3]>[H-:4][98Mo+2:1]1234([C:2]#[O:10])([C:3]#[O:11])([CH-:5]5[CH:8]2=[CH:7]3[CH:6]4=[CH:9]51)[P:29]67[O:31][C:32]([CH3:33])([CH3:34])[CH2:26][N:28]7[CH2:30][C:24]([CH3:25])([CH3:23])[O:27]6.[H-:15][98Mo+2:12]1234([C:13]#[O:21])([C:14]#[O:22])([CH-:16]5[CH:19]2=[CH:18]3[CH:17]4=[CH:20]51)[P:41]67[O:43][C:44]([CH3:45])([CH3:46])[CH2:38][N:40]7[CH2:42][C:36]([CH3:37])([CH3:35])[O:39]6">CAN<103:123647>NUM<0003>SEQ<0001>COMPRN<12176066,12176066,75194944,75194944,109660,97466392,97466405>ROLESTAGE<0;12176066;2;reactant>STAGE<0;75194944;2;reactant>STAGE<0;109660;1;solvent>STAGE<0;97466392;1;product>STAGE<0;97466405;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<14>ISM<"[Cl-:4][98Mo+2:1]1234([C]#[O])([C:2]#[O:10])([C:3]#[O:11])[CH-:5]5[CH:8]2=[CH:7]3[CH:6]4=[CH:9]51.[Cl-:15][98Mo+2:12]1234([C]#[O])([C:13]#[O:21])([C:14]#[O:22])[CH-:16]5[CH:19]2=[CH:18]3[CH:17]4=[CH:20]51.[CH3:23][C:24]1([CH3:25])[CH2:26][N:28]2[CH2:30][C:32]([CH3:33])([CH3:34])[O:31][P:29]2[O:27]1.[CH3:35][C:36]1([CH3:37])[CH2:38][N:40]2[CH2:42][C:44]([CH3:45])([CH3:46])[O:43][P:41]2[O:39]1>[CH3][CH2][O][CH2][CH3]>[CH3:34][C:32]1([CH3:33])[CH2:26][N:28]2[CH2:30][C:24]([CH3:25])([CH3:23])[O:27][P:29]2([O:31]1)[98Mo+2:1]3456([Cl-:4])([C:2]#[O:10])([C:3]#[O:11])[CH-:5]7[CH:8]4=[CH:7]5[CH:6]6=[CH:9]73.[CH3:46][C:44]1([CH3:45])[CH2:38][N:40]2[CH2:42][C:36]([CH3:37])([CH3:35])[O:39][P:41]2([O:43]1)[98Mo+2:12]3456([Cl-:15])([C:13]#[O:21])([C:14]#[O:22])[CH-:16]7[CH:19]4=[CH:18]5[CH:17]6=[CH:20]73">CAN<103:123647>NUM<0007>SEQ<0001>COMPRN<12128233,12128233,75194944,75194944,60297,97416621,97466427>ROLESTAGE<0;12128233;2;reactant>STAGE<0;75194944;2;reactant>STAGE<0;60297;1;solvent>STAGE<0;97416621;1;product>STAGE<0;97466427;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<15>ISM<"[H-][98Mo+2:3]1234([C:1]#[O:2])([C:4]#[O:11])([CH-:5]5[CH:8]2=[CH:7]3[CH:6]4=[CH:9]51)[P:10]67[O:14][C:18]([CH3:21])([CH3:22])[CH2:15][N:12]7[CH2:16][C:17]([CH3:20])([CH3:19])[O:13]6.[H-][98Mo+2]1234([C]#[O])([C]#[O])([CH-]5[CH]2=[CH]3[CH]4=[CH]51)[P]67[O][C]([CH3])([CH3])[CH2][N]7[CH2][C]([CH3])([CH3])[O]6.[Cl][C]([Cl])([Cl])[Cl]>[Cl][C]([Cl])([Cl])[Cl]>[CH3:22][C:18]1([CH3:21])[CH2:15][N:12]2[CH2:16][C:17]([CH3:20])([CH3:19])[O:13][P:10]2([O:14]1)[98Mo+2:3]3456([Cl-])([C:1]#[O:2])([C:4]#[O:11])[CH-:5]7[CH:8]4=[CH:7]5[CH:6]6=[CH:9]73.[CH3][C]1([CH3])[CH2][N]2[CH2][C]([CH3])([CH3])[O][P]2([O]1)[98Mo+2]3456([Cl-])([C]#[O])([C]#[O])[CH-]7[CH]4=[CH]5[CH]6=[CH]73">CAN<103:123647>NUM<0007>SEQ<0002>COMPRN<97466392,97466405,56235,56235,97416621,97466427>ROLESTAGE<0;56235;1;reactant>STAGE<0;97466392;1;reactant>STAGE<0;97466405;1;reactant>STAGE<0;56235;1;solvent>STAGE<0;97416621;1;product>STAGE<0;97466427;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<16>ISM<"[CH3:9][CH2:5][O:2][P:1]([O:3][CH2:6][CH3:10])[N:4]([CH3:7])[CH3:8].[CH3:19][CH2:15][O:12][P:11]([O:13][CH2:16][CH3:20])[N:14]([CH3:17])[CH3:18].[Cl-:24][98Mo+2:21]1234([C]#[O])([C:22]#[O:30])([C:23]#[O:31])[CH-:25]5[CH:28]2=[CH:27]3[CH:26]4=[CH:29]51.[Cl-:35][98Mo+2:32]1234([C]#[O])([C:33]#[O:41])([C:34]#[O:42])[CH-:36]5[CH:39]2=[CH:38]3[CH:37]4=[CH:40]51>[CH2]1[CH2][CH2][O][CH2]1>[CH3:10][CH2:6][O:3][P:1]([O:2][CH2:5][CH3:9])([N:4]([CH3:7])[CH3:8])[98Mo+2:21]1234([Cl-:24])([C:22]#[O:30])([C:23]#[O:31])[CH-:25]5[CH:28]2=[CH:27]3[CH:26]4=[CH:29]51.[CH3:20][CH2:16][O:13][P:11]([O:12][CH2:15][CH3:19])([N:14]([CH3:17])[CH3:18])[98Mo+2:32]1234([Cl-:35])([C:33]#[O:41])([C:34]#[O:42])[CH-:36]5[CH:39]2=[CH:38]3[CH:37]4=[CH:40]51">CAN<103:123647>NUM<0009>SEQ<0001>COMPRN<2632873,2632873,12128233,12128233,109999,97416632,97466438>ROLESTAGE<0;2632873;2;reactant>STAGE<0;12128233;2;reactant>STAGE<0;109999;1;solvent>STAGE<0;97416632;1;product>STAGE<0;97466438;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<17>ISM<"[Cl-:3][98Mo+2:1]1234([C]#[O])([C]#[O])([C:2]#[O:9])[CH-:4]5[CH:7]2=[CH:6]3[CH:5]4=[CH:8]51.[CH2:16]1[CH2:12][N:10]2[CH2:13][CH2:17][O:14][P:11]2[O:15]1.[CH2:24]1[CH2:20][N:18]2[CH2:21][CH2:25][O:22][P:19]2[O:23]1>[CH3][c]1[cH][cH][cH][cH][cH]1>[Cl-:3][98Mo+2:1]1234([C:2]#[O:9])([CH-:4]5[CH:8]2=[CH:5]3[CH:6]4=[CH:7]51)([P:19]67[O:22][CH2:24][CH2:21][N:18]7[CH2:20][CH2:25][O:23]6)[P:11]89[O:15][CH2:17][CH2:12][N:10]9[CH2:13][CH2:16][O:14]8">CAN<103:123647>NUM<0012>SEQ<0001>COMPRN<12128233,65693267,65693267,108883,97416654>ROLESTAGE<0;12128233;1;reactant>STAGE<0;65693267;2;reactant>STAGE<0;108883;1;solvent>STAGE<0;97416654;1;product>NOTES<"PHOTOCHEM.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<18>ISM<"[CH3:9][CH2:5][O:2][P:1]([O:3][CH2:6][CH3:10])[N:4]([CH3:7])[CH3:8].[CH3:19][CH2:15][O:12][P:11]([O:13][CH2:16][CH3:20])[N:14]([CH3:17])[CH3:18].[Cl-:23][98Mo+2:21]1234([C]#[O])([C]#[O])([C:22]#[O:29])[CH-:24]5[CH:27]2=[CH:26]3[CH:25]4=[CH:28]51>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:20][CH2:16][O:13][P:11]([O:12][CH2:15][CH3:19])([N:14]([CH3:17])[CH3:18])[98Mo+2:21]1234([Cl-:23])([C:22]#[O:29])([CH-:24]5[CH:27]2=[CH:26]3[CH:25]4=[CH:28]51)[P:1]([O:3][CH2:6][CH3:10])([O:2][CH2:5][CH3:9])[N:4]([CH3:8])[CH3:7]">CAN<103:123647>NUM<0013>SEQ<0001>COMPRN<2632873,2632873,12128233,108883,97416665>ROLESTAGE<0;2632873;2;reactant>STAGE<0;12128233;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;97416665;1;product>NOTES<"PHOTOCHEM. REACTION">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<19>ISM<"[H-:5][98Mo+2:3]1234([C:1]#[O:2])([C:4]#[O:12])([CH-:6]5[CH:9]2=[CH:8]3[CH:7]4=[CH:10]51)[P:11]67[O:15][C:19]([CH3:22])([CH3:23])[CH2:16][N:13]7[CH2:17][C:18]([CH3:21])([CH3:20])[O:14]6.[H-:28][98Mo+2:26]1234([C:24]#[O:25])([C:27]#[O:35])([CH-:29]5[CH:32]2=[CH:31]3[CH:30]4=[CH:33]51)[P:34]67[O:38][C:42]([CH3:45])([CH3:46])[CH2:39][N:36]7[CH2:40][C:41]([CH3:44])([CH3:43])[O:37]6>[ClH].[CH3][c]1[cH][cH][cH][cH][cH]1>[ClH].[H-:5][98Mo+2:3]1234([C:1]#[O:2])([C:4]#[O:12])([CH-:6]5[CH:10]2=[CH:7]3[CH:8]4=[CH:9]51)[P:11]67[O:15][C:19]([CH3:23])([CH3:22])[CH2:16][N:13]7[CH2:17][C:18]([CH3:21])([CH3:20])[O:14]6.[ClH].[H-:28][98Mo+2:26]1234([C:24]#[O:25])([C:27]#[O:35])([CH-:29]5[CH:33]2=[CH:30]3[CH:31]4=[CH:32]51)[P:34]67[O:38][C:42]([CH3:46])([CH3:45])[CH2:39][N:36]7[CH2:40][C:41]([CH3:44])([CH3:43])[O:37]6">CAN<103:123647>NUM<0014>SEQ<0001>COMPRN<97466392,97466405,7647010,108883,97548953,97548953,97548953,97548953>ROLESTAGE<0;97466392;1;reactant>STAGE<0;97466405;1;reactant>STAGE<0;7647010;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;97548953;2;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<20>ISM<"[H-:5][98Mo+2:3]1234([C:1]#[O:2])([C:4]#[O:12])([CH-:6]5[CH:9]2=[CH:8]3[CH:7]4=[CH:10]51)[P:11]67[O:15][C:19]([CH3:22])([CH3:23])[CH2:16][N:13]7[CH2:17][C:18]([CH3:21])([CH3:20])[O:14]6.[H-:28][98Mo+2:26]1234([C:24]#[O:25])([C:27]#[O:35])([CH-:29]5[CH:32]2=[CH:31]3[CH:30]4=[CH:33]51)[P:34]67[O:38][C:42]([CH3:45])([CH3:46])[CH2:39][N:36]7[CH2:40][C:41]([CH3:44])([CH3:43])[O:37]6>[ClH].[CH3][CH2][O][CH2][CH3]>[ClH].[H-:5][98Mo+2:3]1234([C:1]#[O:2])([C:4]#[O:12])([CH-:6]5[CH:10]2=[CH:7]3[CH:8]4=[CH:9]51)[P:11]67[O:15][C:19]([CH3:23])([CH3:22])[CH2:16][N:13]7[CH2:17][C:18]([CH3:21])([CH3:20])[O:14]6.[ClH].[H-:28][98Mo+2:26]1234([C:24]#[O:25])([C:27]#[O:35])([CH-:29]5[CH:33]2=[CH:30]3[CH:31]4=[CH:32]51)[P:34]67[O:38][C:42]([CH3:46])([CH3:45])[CH2:39][N:36]7[CH2:40][C:41]([CH3:44])([CH3:43])[O:37]6">CAN<103:123647>NUM<0014>SEQ<0002>COMPRN<97466392,97466405,7647010,60297,97548953,97548953,97548953,97548953>ROLESTAGE<0;97466392;1;reactant>STAGE<0;97466405;1;reactant>STAGE<0;7647010;1;reagent>STAGE<0;60297;1;solvent>STAGE<0;97548953;2;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<21>ISM<"[CH3:19][CH2:7][O:3][P:1]([O:2][CH2:6][CH3:18])([N:4]([CH3:8])[CH3:9])[98Mo+2:5]1234([Cl-:12])([C:10]#[O:20])([C:11]#[O:21])[CH-:13]5[CH:16]2=[CH:15]3[CH:14]4=[CH:17]51.[CH3:37][CH2:27][O:24][P:22]([O:23][CH2:26][CH3:36])([N]([CH3])[CH3])[98Mo+2:25]1234([Cl-:30])([C:28]#[O:38])([C:29]#[O:39])[CH-:31]5[CH:34]2=[CH:33]3[CH:32]4=[CH:35]51>[ClH].[CH3][CH2][CH2][CH2][CH2][CH3]>[ClH].[CH3:8][NH:4][CH3:9].[CH3:19][CH2:7][O:3][P:1]([Cl])([O:2][CH2:6][CH3:18])[98Mo+2:5]1234([Cl-:12])([C:11]#[O:21])([C:10]#[O:20])[CH-:13]5[CH:16]2=[CH:15]3[CH:14]4=[CH:17]51.[CH3:37][CH2:27][O:24][P:22]([Cl])([O:23][CH2:26][CH3:36])[98Mo+2:25]1234([Cl-:30])([C:29]#[O:39])([C:28]#[O:38])[CH-:31]5[CH:34]2=[CH:33]3[CH:32]4=[CH:35]51">CAN<103:123647>NUM<0015>SEQ<0001>COMPRN<97416632,97466438,7647010,110543,506592,506592,97416676,97466449>ROLESTAGE<0;97416632;1;reactant>STAGE<0;97466438;1;reactant>STAGE<0;7647010;1;reagent>STAGE<0;110543;1;solvent>STAGE<0;506592;1;product>STAGE<0;97416676;1;product>STAGE<0;97466449;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<22>ISM<"[Cl-:4][98Mo+2:1]1234([C]#[O])([C:2]#[O:10])([C:3]#[O:11])[CH-:5]5[CH:8]2=[CH:7]3[CH:6]4=[CH:9]51.[Cl-:15][98Mo+2:12]1234([C]#[O])([C:13]#[O:21])([C:14]#[O:22])[CH-:16]5[CH:19]2=[CH:18]3[CH:17]4=[CH:20]51.[CH2:29]1[CH2:25][N:23]2[CH2:26][CH2:30][O:27][P:24]2[O:28]1.[CH2:37]1[CH2:33][N:31]2[CH2:34][CH2:38][O:35][P:32]2[O:36]1>[CH2]1[CH2][CH2][O][CH2]1>[Cl-:4][98Mo+2:1]1234([C:2]#[O:10])([C:3]#[O:11])([CH-:5]5[CH:8]2=[CH:7]3[CH:6]4=[CH:9]51)[P:24]67[O:28][CH2:30][CH2:25][N:23]7[CH2:26][CH2:29][O:27]6.[Cl-:15][98Mo+2:12]1234([C:13]#[O:21])([C:14]#[O:22])([CH-:16]5[CH:19]2=[CH:18]3[CH:17]4=[CH:20]51)[P:32]67[O:36][CH2:38][CH2:33][N:31]7[CH2:34][CH2:37][O:35]6">CAN<103:123647>NUM<0017>SEQ<0001>COMPRN<12128233,12128233,65693267,65693267,109999,97416610,97466416>ROLESTAGE<0;12128233;2;reactant>STAGE<0;65693267;2;reactant>STAGE<0;109999;1;solvent>STAGE<0;97416610;1;product>STAGE<0;97466416;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<23>ISM<"[107Ag].[OH:8][S:2](=[O:6])(=[O:7])[C:1]([F:3])([F:4])[F:5].[ClH].[H-:13][98Mo+2:11]1234([C:9]#[O:10])([C:12]#[O:20])([CH-:14]5[CH:18]2=[CH:15]3[CH:16]4=[CH:17]51)[P:19]67[O:23][C:27]([CH3:31])([CH3:30])[CH2:24][N:21]7[CH2:25][C:26]([CH3:29])([CH3:28])[O:22]6>[CH3][C]#[N]>[OH:8][S:2](=[O:6])(=[O:7])[C:1]([F:3])([F:4])[F:5].[H-:13][98Mo+2:11]1234([C:9]#[O:10])([C:12]#[O:20])([CH-:14]5[CH:17]2=[CH:16]3[CH:15]4=[CH:18]51)[P:19]67[O:23][C:27]([CH3:30])([CH3:31])[CH2:24][N:21]7[CH2:25][C:26]([CH3:29])([CH3:28])[O:22]6">CAN<103:123647>NUM<0021>SEQ<0001>COMPRN<2923286,2923286,97548953,97548953,75058,1493136,97466392>ROLESTAGE<0;2923286;1;reactant>STAGE<0;97548953;1;reactant>STAGE<0;75058;1;solvent>STAGE<0;97548964;1;product>MCOMPRN<97548964;1493136;1>MCOMPRN<97548964;97466392;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<24>ISM<"[CH3:4][CH2:2][NH:1][CH2:3][CH3:5].[ClH].[H-:10][98Mo+2:8]1234([C:6]#[O:7])([C:9]#[O:17])([CH-:11]5[CH:15]2=[CH:12]3[CH:13]4=[CH:14]51)[P:16]67[O:20][C:24]([CH3:28])([CH3:27])[CH2:21][N:18]7[CH2:22][C:23]([CH3:26])([CH3:25])[O:19]6.[ClH].[H-:33][98Mo+2:31]1234([C:29]#[O:30])([C:32]#[O:40])([CH-:34]5[CH:38]2=[CH:35]3[CH:36]4=[CH:37]51)[P:39]67[O:43][C:47]([CH3:51])([CH3:50])[CH2:44][N:41]7[CH2:45][C:46]([CH3:49])([CH3:48])[O:42]6>[CH3][c]1[cH][cH][cH][cH][cH]1>[ClH].[CH3:4][CH2:2][NH:1][CH2:3][CH3:5].[H-:10][98Mo+2:8]1234([C:6]#[O:7])([C:9]#[O:17])([CH-:11]5[CH:14]2=[CH:13]3[CH:12]4=[CH:15]51)[P:16]67[O:20][C:24]([CH3:27])([CH3:28])[CH2:21][N:18]7[CH2:22][C:23]([CH3:26])([CH3:25])[O:19]6.[H-:33][98Mo+2:31]1234([C:29]#[O:30])([C:32]#[O:40])([CH-:34]5[CH:37]2=[CH:36]3[CH:35]4=[CH:38]51)[P:39]67[O:43][C:47]([CH3:50])([CH3:51])[CH2:44][N:41]7[CH2:45][C:46]([CH3:49])([CH3:48])[O:42]6">CAN<103:123647>NUM<0509>SEQ<0001>COMPRN<109897,97548953,97548953,97548953,97548953,108883,660684,660684,97466392,97466405>ROLESTAGE<0;109897;1;reactant>STAGE<0;97548953;2;reactant>STAGE<0;108883;1;solvent>STAGE<0;660684;1;product>STAGE<0;97466392;1;product>STAGE<0;97466405;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<25>ISM<"[ClH].[H-][98Mo+2]1234([C]#[O])([C]#[O])([CH-]5[CH]2=[CH]3[CH]4=[CH]51)[P]67[O][C]([CH3])([CH3])[CH2][N]7[CH2][C]([CH3])([CH3])[O]6.[CH3][CH2][N]([CH2][CH3])[CH2][CH3]>[CH3][c]1[cH][cH][cH][cH][cH]1>[H-][98Mo+2]1234([C]#[O])([C]#[O])([CH-]5[CH]2=[CH]3[CH]4=[CH]51)[P]67[O][C]([CH3])([CH3])[CH2][N]7[CH2][C]([CH3])([CH3])[O]6.[H-][98Mo+2]1234([C]#[O])([C]#[O])([CH-]5[CH]2=[CH]3[CH]4=[CH]51)[P]67[O][C]([CH3])([CH3])[CH2][N]7[CH2][C]([CH3])([CH3])[O]6">CAN<103:123647>NUM<0513>SEQ<0001>COMPRN<97548953,97548953,121448,108883,97466392,97466405>ROLESTAGE<0;121448;1;reactant>STAGE<0;97548953;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;97466392;1;product>STAGE<0;97466405;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<26>ISM<"[OH:3][CH2:1][CH2:2][OH:4].[OH:7][CH2:5][CH2:6][OH:8]>[CH-]1([CH]2=[CH]3[CH]4=[CH]15)[52Cr+2]62573489[CH-]%10[CH]7=[CH]8[CH]9=[CH]%106>[CH2:2]1[CH2:1][O-:3][52Cr+2]2([OH:4]1)[OH:8][CH2:6][CH2:5][O-:7]2">CAN<103:123646>NUM<0001>SEQ<0001>COMPRN<107211,107211,1271245,98013640>ROLESTAGE<0;107211;2;reactant>STAGE<0;1271245;1;reagent>STAGE<0;98013640;1;product>NOTES<"OTHER PRODUCTS FORMED">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<45>ISM<"[O:5]#[C:2][52Cr:1]([C:3]#[O:6])([C:4]#[O:7])([C]#[O])([C]#[O])[C]#[O].[7Li][CH:16]1[CH:17]=[CH:14][N:12]([B:13]1[CH3:15])[C:8]([CH3:9])([CH3:10])[CH3:11]>[CH2]1[CH2][CH2][O][CH2]1>[7LiH+].[CH3:15][B:13]1([CH-:16]2[CH:17]3=[CH:14]4[N:12]15[C:8]([CH3:11])([CH3:10])[CH3:9])[52Cr:1]2345([C:2]#[O:5])([C:3]#[O:6])[C:4]#[O:7]">CAN<103:123645>NUM<0002>SEQ<0001>COMPRN<13007926,84356321,109999,97477286,97477286>ROLESTAGE<0;13007926;1;reactant>STAGE<0;84356321;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97477286;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<46>ISM<"[O:5]#[C:2][98Mo:1]([C:3]#[O:6])([C:4]#[O:7])([C]#[O])([C]#[O])[C]#[O].[7Li][CH:16]1[CH:17]=[CH:14][N:12]([B:13]1[CH3:15])[C:8]([CH3:9])([CH3:10])[CH3:11]>[CH2]1[CH2][CH2][O][CH2]1>[7LiH+].[CH3:15][B:13]1([CH-:16]2[CH:17]3=[CH:14]4[N:12]15[C:8]([CH3:11])([CH3:10])[CH3:9])[98Mo:1]2345([C:2]#[O:5])([C:3]#[O:6])[C:4]#[O:7]">CAN<103:123645>NUM<0003>SEQ<0001>COMPRN<13939065,84356321,109999,97477297,97477297>ROLESTAGE<0;13939065;1;reactant>STAGE<0;84356321;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97477297;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<47>ISM<"[O:5]#[C:2][184W:1]([C:3]#[O:6])([C:4]#[O:7])([C]#[O])([C]#[O])[C]#[O].[7Li][CH:16]1[CH:17]=[CH:14][N:12]([B:13]1[CH3:15])[C:8]([CH3:9])([CH3:10])[CH3:11]>[CH2]1[CH2][CH2][O][CH2]1>[7LiH+].[CH3:15][B:13]1([CH-:16]2[CH:17]3=[CH:14]4[N:12]15[C:8]([CH3:11])([CH3:10])[CH3:9])[184W:1]2345([C:2]#[O:5])([C:3]#[O:6])[C:4]#[O:7]">CAN<103:123645>NUM<0004>SEQ<0001>COMPRN<14040110,84356321,109999,97477300,97477300>ROLESTAGE<0;14040110;1;reactant>STAGE<0;84356321;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97477300;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<48>ISM<"[CH3:2][Ge:1]([CH3:3])([CH3:4])[Cl].[7LiH+].[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:21])([CH3:20])[CH3:19])[98Mo:7]2345([C:5]#[O:6])([C:8]#[O:15])[C:9]#[O:16]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:20])([CH3:19])[CH3:21])[98Mo+:7]2345([C:9]#[O:16])([C:8]#[O:15])([C:5]#[O:6])[Ge:1]([CH3:2])([CH3:3])[CH3:4]">CAN<103:123645>NUM<0005>SEQ<0001>COMPRN<1529471,97477297,97477297,109999,97477311>ROLESTAGE<0;1529471;1;reactant>STAGE<0;97477297;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97477311;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<49>ISM<"[CH3:2][Ge:1]([CH3:3])([CH3:4])[Cl].[7LiH+].[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:21])([CH3:20])[CH3:19])[184W:7]2345([C:5]#[O:6])([C:8]#[O:15])[C:9]#[O:16]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:20])([CH3:19])[CH3:21])[184W+:7]2345([C:9]#[O:16])([C:8]#[O:15])([C:5]#[O:6])[Ge:1]([CH3:2])([CH3:3])[CH3:4]">CAN<103:123645>NUM<0006>SEQ<0001>COMPRN<1529471,97477300,97477300,109999,97477322>ROLESTAGE<0;1529471;1;reactant>STAGE<0;97477300;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97477322;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<50>ISM<"[CH3:2][120Sn:1]([CH3:3])([CH3:4])[Cl].[7LiH+].[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:21])([CH3:20])[CH3:19])[52Cr:7]2345([C:5]#[O:6])([C:8]#[O:15])[C:9]#[O:16]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:20])([CH3:19])[CH3:21])[52Cr+:7]2345([C:9]#[O:16])([C:8]#[O:15])([C:5]#[O:6])[120Sn:1]([CH3:2])([CH3:3])[CH3:4]">CAN<103:123645>NUM<0007>SEQ<0001>COMPRN<1066451,97477286,97477286,109999,97477333>ROLESTAGE<0;1066451;1;reactant>STAGE<0;97477286;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97477333;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<51>ISM<"[CH3:2][120Sn:1]([CH3:3])([CH3:4])[Cl].[7LiH+].[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:21])([CH3:20])[CH3:19])[98Mo:7]2345([C:5]#[O:6])([C:8]#[O:15])[C:9]#[O:16]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:20])([CH3:19])[CH3:21])[98Mo+:7]2345([C:9]#[O:16])([C:8]#[O:15])([C:5]#[O:6])[120Sn:1]([CH3:2])([CH3:3])[CH3:4]">CAN<103:123645>NUM<0008>SEQ<0001>COMPRN<1066451,97477297,97477297,109999,97477344>ROLESTAGE<0;1066451;1;reactant>STAGE<0;97477297;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97477344;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<52>ISM<"[CH3:2][120Sn:1]([CH3:3])([CH3:4])[Cl].[7LiH+].[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:21])([CH3:20])[CH3:19])[184W:7]2345([C:5]#[O:6])([C:8]#[O:15])[C:9]#[O:16]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:20])([CH3:19])[CH3:21])[184W+:7]2345([C:9]#[O:16])([C:8]#[O:15])([C:5]#[O:6])[120Sn:1]([CH3:2])([CH3:3])[CH3:4]">CAN<103:123645>NUM<0009>SEQ<0001>COMPRN<1066451,97477300,97477300,109999,97477355>ROLESTAGE<0;1066451;1;reactant>STAGE<0;97477300;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97477355;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<53>ISM<"[CH3:2][208Pb:1]([CH3:3])([CH3:4])[Cl].[7LiH+].[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:21])([CH3:20])[CH3:19])[98Mo:7]2345([C:5]#[O:6])([C:8]#[O:15])[C:9]#[O:16]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:20])([CH3:19])[CH3:21])[98Mo+:7]2345([C:9]#[O:16])([C:8]#[O:15])([C:5]#[O:6])[208Pb:1]([CH3:2])([CH3:3])[CH3:4]">CAN<103:123645>NUM<0010>SEQ<0001>COMPRN<1520781,97477297,97477297,109999,97477366>ROLESTAGE<0;1520781;1;reactant>STAGE<0;97477297;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97477366;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<54>ISM<"[CH3:2][208Pb:1]([CH3:3])([CH3:4])[Cl].[7LiH+].[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:21])([CH3:20])[CH3:19])[184W:7]2345([C:5]#[O:6])([C:8]#[O:15])[C:9]#[O:16]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:18][B:11]1([CH-:12]2[CH:14]3=[CH:13]4[N:10]15[C:17]([CH3:20])([CH3:19])[CH3:21])[184W+:7]2345([C:9]#[O:16])([C:8]#[O:15])([C:5]#[O:6])[208Pb:1]([CH3:2])([CH3:3])[CH3:4]">CAN<103:123645>NUM<0011>SEQ<0001>COMPRN<1520781,97477300,97477300,109999,97477377>ROLESTAGE<0;1520781;1;reactant>STAGE<0;97477300;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97477377;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<55>ISM<"[CH3:2][C:1]#[N:3].[O:5]#[C:4][52Cr:6]12345([C:7]#[O:15])([C:8]#[O:16])[CH:9]6=[CH:14]2[CH:10]4=[CH:12]5[CH:11]3=[CH:13]61>[CH3][CH2][CH2][CH2][CH2][CH3]>[C-:4]#[O+:5].[CH3:2][C:1]#[N:3][52Cr:6]12345([C:8]#[O:16])([C:7]#[O:15])[CH:9]6=[CH:14]2[CH:10]4=[CH:12]5[CH:11]3=[CH:13]61">CAN<103:123644>NUM<0007>SEQ<0001>COMPRN<75058,12082085,110543,630080,75503661>ROLESTAGE<0;75058;1;reactant>STAGE<0;12082085;1;reactant>STAGE<0;110543;1;solvent>STAGE<0;630080;1;product>STAGE<0;75503661;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<56>ISM<"[CH3:2][C:1]#[N:3].[CH3:17][C:11]1(=[CH:10]2[CH:13]3=[CH:12]4[CH:14]5=[CH:9]16)[52Cr:6]43526([C:4]#[O:5])([C:8]#[O:16])[C:7]#[O:15]>[CH3][CH2][CH2][CH2][CH2][CH3]>[C-:4]#[O+:5].[CH3:2][C:1]#[N:3][52Cr:6]12345([C:8]#[O:16])([C:7]#[O:15])[CH:12]6=[CH:13]2[CH:10]3=[C:11]5([CH3:17])[CH:9]4=[CH:14]61">CAN<103:123644>NUM<0008>SEQ<0001>COMPRN<75058,12083248,110543,630080,97349707>ROLESTAGE<0;75058;1;reactant>STAGE<0;12083248;1;reactant>STAGE<0;110543;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349707;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<57>ISM<"[CH3:2][C:1]#[N:3].[CH3:18][C:11]1(=[CH:9]2[C:10]3(=[CH:13]4[CH:14]5=[CH:12]16)[CH3:17])[52Cr:6]56423([C:4]#[O:5])([C:7]#[O:15])[C:8]#[O:16]>[CH3][CH2][CH2][CH2][CH2][CH3]>[C-:4]#[O+:5].[CH3:2][C:1]#[N:3][52Cr:6]12345([C:8]#[O:16])([C:7]#[O:15])[CH:14]6=[CH:12]2[C:11]4(=[CH:9]3[C:10]5(=[CH:13]61)[CH3:17])[CH3:18]">CAN<103:123644>NUM<0009>SEQ<0001>COMPRN<75058,12129281,110543,630080,97349718>ROLESTAGE<0;75058;1;reactant>STAGE<0;12129281;1;reactant>STAGE<0;110543;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349718;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<58>ISM<"[CH3:2][C:1]#[N:3].[CH3:19][C:14]1(=[CH:9]2[C:13]3(=[CH:11]4[C:12]5(=[CH:10]16)[CH3:17])[CH3:18])[52Cr:6]62453([C:4]#[O:5])([C:8]#[O:16])[C:7]#[O:15]>[CH3][CH2][CH2][CH2][CH2][CH3]>[C-:4]#[O+:5].[CH3:2][C:1]#[N:3][52Cr:6]12345([C:8]#[O:16])([C:7]#[O:15])[CH:9]6=[C:14]4([CH3:19])[CH:10]2=[C:12]5([CH3:17])[CH:11]3=[C:13]61[CH3:18]">CAN<103:123644>NUM<0010>SEQ<0001>COMPRN<75058,12129678,110543,630080,97349729>ROLESTAGE<0;75058;1;reactant>STAGE<0;12129678;1;reactant>STAGE<0;110543;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349729;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Error storing TDT: $RXNID<58>ISM<"[CH3:2][C:1]#[N:3].[CH3:19][C:14]1(=[CH:9]2[C:13]3(=[CH:11]4[C:12]5(=[CH:10]16)[CH3:17])[CH3:18])[52Cr:6]62453([C:4]#[O:5])([C:8]#[O:16])[C:7]#[O:15]>[CH3][CH2][CH2][CH2][CH2][CH3]>[C-:4]#[O+:5].[CH3:2][C:1]#[N:3][52Cr:6]12345([C:8]#[O:16])([C:7]#[O:15])[CH:9]6=[C:14]4([CH3:19])[CH:10]2=[C:12]5([CH3:17])[CH:11]3=[C:13]61[CH3:18]">CAN<103:123644>NUM<0010>SEQ<0001>COMPRN<75058,12129678,110543,630080,97349729>ROLESTAGE<0;75058;1;reactant>STAGE<0;12129678;1;reactant>STAGE<0;110543;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349729;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) ERROR: SMILES and/or Isomeric SMILES don't match TDT's root: [CH3:1][C:9]#[N:5].[CH3:2][C:16]1(=[CH:13]2[C:17]3(=[CH:15]4[C:18]5(=[CH:14]16)[CH3:4])[CH3:3])[52Cr:19]26435([C:10]#[O:8])([C:11]#[O:6])[C:12]#[O:7]>CCCCCC>[CH3:1][C:9]#[N:5][52Cr:19]12345([C:11]#[O:6])([C:12]#[O:7])[CH:13]6=[C:16]4([CH3:2])[CH:14]2=[C:18]5([CH3:4])[CH:15]3=[C:17]61[CH3:3].[C-:10]#[O+:8] (compare_smiles) Warning converting TDT: $RXNID<59>ISM<"[CH3:2][C:1]#[N:3].[CH3:20][O:18][C:17](=[O:19])[C:9]1(=[CH:11]2[CH:12]3=[CH:14]4[CH:13]5=[CH:10]16)[52Cr:6]45362([C:4]#[O:5])([C:8]#[O:16])[C:7]#[O:15]>[CH3][CH2][CH2][CH2][CH2][CH3]>[C-:4]#[O+:5].[CH3:20][O:18][C:17](=[O:19])[C:9]1(=[CH:11]2[CH:12]3=[CH:14]4[CH:13]5=[CH:10]16)[52Cr:6]45362([C:8]#[O:16])([C:7]#[O:15])[N:3]#[C:1][CH3:2]">CAN<103:123644>NUM<0011>SEQ<0001>COMPRN<75058,12125870,110543,630080,97349730>ROLESTAGE<0;75058;1;reactant>STAGE<0;12125870;1;reactant>STAGE<0;110543;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349730;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Error storing TDT: $RXNID<59>ISM<"[CH3:2][C:1]#[N:3].[CH3:20][O:18][C:17](=[O:19])[C:9]1(=[CH:11]2[CH:12]3=[CH:14]4[CH:13]5=[CH:10]16)[52Cr:6]45362([C:4]#[O:5])([C:8]#[O:16])[C:7]#[O:15]>[CH3][CH2][CH2][CH2][CH2][CH3]>[C-:4]#[O+:5].[CH3:20][O:18][C:17](=[O:19])[C:9]1(=[CH:11]2[CH:12]3=[CH:14]4[CH:13]5=[CH:10]16)[52Cr:6]45362([C:8]#[O:16])([C:7]#[O:15])[N:3]#[C:1][CH3:2]">CAN<103:123644>NUM<0011>SEQ<0001>COMPRN<75058,12125870,110543,630080,97349730>ROLESTAGE<0;75058;1;reactant>STAGE<0;12125870;1;reactant>STAGE<0;110543;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349730;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) ERROR: SMILES and/or Isomeric SMILES don't match TDT's root: [CH3:1][O:8][C:13](=[O:3])[C:19]1(=[CH:17]2[CH:15]3=[CH:14]4[CH:16]5=[CH:18]16)[52Cr:20]43526([C:10]#[O:7])([C:11]#[O:5])[C:12]#[O:6].[CH3:2][C:9]#[N:4]>CCCCCC>[CH3:1][O:8][C:13](=[O:3])[C:19]1(=[CH:17]2[CH:15]3=[CH:14]4[CH:16]5=[CH:18]16)[52Cr:20]43526([C:11]#[O:5])([C:12]#[O:6])[N:4]#[C:9][CH3:2].[C-:10]#[O+:7] (compare_smiles) Warning converting TDT: $RXNID<60>ISM<"[CH3:2][C:1]#[N:3].[F:17][C:11]1(=[CH:10]2[CH:13]3=[CH:12]4[CH:14]5=[CH:9]16)[52Cr:6]43526([C:4]#[O:5])([C:8]#[O:16])[C:7]#[O:15]>[CH3][CH2][CH2][CH2][CH2][CH3]>[C-:4]#[O+:5].[CH3:2][C:1]#[N:3][52Cr:6]12345([C:8]#[O:16])([C:7]#[O:15])[CH:12]6=[CH:13]2[CH:10]3=[C:11]5([F:17])[CH:9]4=[CH:14]61">CAN<103:123644>NUM<0012>SEQ<0001>COMPRN<75058,12082052,110543,630080,97349741>ROLESTAGE<0;75058;1;reactant>STAGE<0;12082052;1;reactant>STAGE<0;110543;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349741;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<61>ISM<"[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2])[cH:5][cH:7]1.[O:11]#[C:10][52Cr:12]12345([C:13]#[O:21])([C:14]#[O:22])[CH:15]6=[CH:20]2[CH:16]4=[CH:18]5[CH:17]3=[CH:19]61>[CH2]1[CH2][CH2][O][CH2]1>[C-:10]#[O+:11].[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2][52Cr:12]23456([C:14]#[O:22])([C:13]#[O:21])[CH:16]7=[CH:18]3[CH:17]4=[CH:19]6[CH:15]5=[CH:20]72)[cH:5][cH:7]1">CAN<103:123644>NUM<0013>SEQ<0001>COMPRN<104858,12082085,109999,630080,97349752>ROLESTAGE<0;104858;1;reactant>STAGE<0;12082085;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349752;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<62>ISM<"[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2])[cH:5][cH:7]1.[CH3:23][C:17]1(=[CH:16]2[CH:19]3=[CH:18]4[CH:20]5=[CH:15]16)[52Cr:12]43526([C:10]#[O:11])([C:14]#[O:22])[C:13]#[O:21]>[CH2]1[CH2][CH2][O][CH2]1>[C-:10]#[O+:11].[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2][52Cr:12]23456([C:14]#[O:22])([C:13]#[O:21])[CH:18]7=[CH:19]3[CH:16]5=[C:17]6([CH3:23])[CH:15]4=[CH:20]72)[cH:5][cH:7]1">CAN<103:123644>NUM<0014>SEQ<0001>COMPRN<104858,12083248,109999,630080,97349763>ROLESTAGE<0;104858;1;reactant>STAGE<0;12083248;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349763;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Error storing TDT: $RXNID<62>ISM<"[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2])[cH:5][cH:7]1.[CH3:23][C:17]1(=[CH:16]2[CH:19]3=[CH:18]4[CH:20]5=[CH:15]16)[52Cr:12]43526([C:10]#[O:11])([C:14]#[O:22])[C:13]#[O:21]>[CH2]1[CH2][CH2][O][CH2]1>[C-:10]#[O+:11].[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2][52Cr:12]23456([C:14]#[O:22])([C:13]#[O:21])[CH:18]7=[CH:19]3[CH:16]5=[C:17]6([CH3:23])[CH:15]4=[CH:20]72)[cH:5][cH:7]1">CAN<103:123644>NUM<0014>SEQ<0001>COMPRN<104858,12083248,109999,630080,97349763>ROLESTAGE<0;104858;1;reactant>STAGE<0;12083248;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349763;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) ERROR: SMILES and/or Isomeric SMILES don't match TDT's root: [CH3:1][c:20]1[cH:11][cH:13][c:21]([C:7]#[N:3])[cH:14][cH:12]1.[CH3:2][C:22]1(=[CH:18]2[CH:16]3=[CH:15]4[CH:17]5=[CH:19]16)[52Cr:23]43526([C:8]#[O:6])([C:9]#[O:4])[C:10]#[O:5]>C1CCOC1>[CH3:1][c:20]1[cH:11][cH:13][c:21]([C:7]#[N:3][52Cr:23]23456([C:9]#[O:4])([C:10]#[O:5])[CH:15]7=[CH:16]3[CH:18]4=[C:22]6([CH3:2])[CH:19]5=[CH:17]72)[cH:14][cH:12]1.[C-:8]#[O+:6] (compare_smiles) Warning converting TDT: $RXNID<63>ISM<"[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2])[cH:5][cH:7]1.[CH3:24][C:17]1(=[CH:15]2[C:16]3(=[CH:19]4[CH:20]5=[CH:18]16)[CH3:23])[52Cr:12]56423([C:10]#[O:11])([C:13]#[O:21])[C:14]#[O:22]>[CH2]1[CH2][CH2][O][CH2]1>[C-:10]#[O+:11].[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2][52Cr:12]23456([C:14]#[O:22])([C:13]#[O:21])[CH:20]7=[CH:18]3[C:17]5(=[CH:15]4[C:16]6(=[CH:19]72)[CH3:23])[CH3:24])[cH:5][cH:7]1">CAN<103:123644>NUM<0015>SEQ<0001>COMPRN<104858,12129281,109999,630080,97349774>ROLESTAGE<0;104858;1;reactant>STAGE<0;12129281;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349774;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Error storing TDT: $RXNID<63>ISM<"[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2])[cH:5][cH:7]1.[CH3:24][C:17]1(=[CH:15]2[C:16]3(=[CH:19]4[CH:20]5=[CH:18]16)[CH3:23])[52Cr:12]56423([C:10]#[O:11])([C:13]#[O:21])[C:14]#[O:22]>[CH2]1[CH2][CH2][O][CH2]1>[C-:10]#[O+:11].[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2][52Cr:12]23456([C:14]#[O:22])([C:13]#[O:21])[CH:20]7=[CH:18]3[C:17]5(=[CH:15]4[C:16]6(=[CH:19]72)[CH3:23])[CH3:24])[cH:5][cH:7]1">CAN<103:123644>NUM<0015>SEQ<0001>COMPRN<104858,12129281,109999,630080,97349774>ROLESTAGE<0;104858;1;reactant>STAGE<0;12129281;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349774;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) ERROR: SMILES and/or Isomeric SMILES don't match TDT's root: [CH3:1][c:20]1[cH:12][cH:14][c:21]([C:8]#[N:4])[cH:15][cH:13]1.[CH3:2][C:22]1(=[CH:19]2[C:23]3(=[CH:18]4[CH:16]5=[CH:17]16)[CH3:3])[52Cr:24]56423([C:9]#[O:7])([C:10]#[O:5])[C:11]#[O:6]>C1CCOC1>[CH3:1][c:20]1[cH:12][cH:14][c:21]([C:8]#[N:4][52Cr:24]23456([C:10]#[O:5])([C:11]#[O:6])[CH:16]7=[CH:17]3[C:22]5(=[CH:19]4[C:23]6(=[CH:18]72)[CH3:3])[CH3:2])[cH:15][cH:13]1.[C-:9]#[O+:7] (compare_smiles) Warning converting TDT: $RXNID<64>ISM<"[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2])[cH:5][cH:7]1.[CH3:25][C:20]1(=[CH:15]2[C:19]3(=[CH:17]4[C:18]5(=[CH:16]16)[CH3:23])[CH3:24])[52Cr:12]62453([C:10]#[O:11])([C:14]#[O:22])[C:13]#[O:21]>[CH2]1[CH2][CH2][O][CH2]1>[C-:10]#[O+:11].[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2][52Cr:12]23456([C:14]#[O:22])([C:13]#[O:21])[CH:15]7=[C:20]5([CH3:25])[CH:16]3=[C:18]6([CH3:23])[CH:17]4=[C:19]72[CH3:24])[cH:5][cH:7]1">CAN<103:123644>NUM<0016>SEQ<0001>COMPRN<104858,12129678,109999,630080,97349785>ROLESTAGE<0;104858;1;reactant>STAGE<0;12129678;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349785;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Error storing TDT: $RXNID<64>ISM<"[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2])[cH:5][cH:7]1.[CH3:25][C:20]1(=[CH:15]2[C:19]3(=[CH:17]4[C:18]5(=[CH:16]16)[CH3:23])[CH3:24])[52Cr:12]62453([C:10]#[O:11])([C:14]#[O:22])[C:13]#[O:21]>[CH2]1[CH2][CH2][O][CH2]1>[C-:10]#[O+:11].[CH3:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2][52Cr:12]23456([C:14]#[O:22])([C:13]#[O:21])[CH:15]7=[C:20]5([CH3:25])[CH:16]3=[C:18]6([CH3:23])[CH:17]4=[C:19]72[CH3:24])[cH:5][cH:7]1">CAN<103:123644>NUM<0016>SEQ<0001>COMPRN<104858,12129678,109999,630080,97349785>ROLESTAGE<0;104858;1;reactant>STAGE<0;12129678;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;630080;1;product>STAGE<0;97349785;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) ERROR: SMILES and/or Isomeric SMILES don't match TDT's root: [CH3:1][c:20]1[cH:13][cH:15][c:21]([C:9]#[N:5])[cH:16][cH:14]1.[CH3:2][C:22]1(=[CH:17]2[C:23]3(=[CH:19]4[C:24]5(=[CH:18]16)[CH3:4])[CH3:3])[52Cr:25]26435([C:10]#[O:8])([C:11]#[O:6])[C:12]#[O:7]>C1CCOC1>[CH3:1][c:20]1[cH:13][cH:15][c:21]([C:9]#[N:5][52Cr:25]23456([C:11]#[O:6])([C:12]#[O:7])[CH:17]7=[C:22]5([CH3:2])[CH:18]3=[C:24]6([CH3:4])[CH:19]4=[C:23]72[CH3:3])[cH:16][cH:14]1.[C-:10]#[O+:8] (compare_smiles) Warning converting TDT: $RXNID<65>ISM<"[CH2:2]([CH2:5][P:10]([c:16]1[cH:22][cH:26][cH:28][cH:25][cH:21]1)[c:15]2[cH:20][cH:24][cH:27][cH:23][cH:19]2)[P:1]([c:4]3[cH:9][cH:14][cH:18][cH:13][cH:8]3)[c:3]4[cH:7][cH:12][cH:17][cH:11][cH:6]4.[O:30]#[C:29][Mn+:31]1234([C]#[O])([C]#[O])[CH-:35]5[CH:37]([CH:36]4=[CH:33]3[CH:32]2=[CH:34]51)[c:38]6[cH:39][cH:41][cH:43][cH:42][cH:40]6>[CH2]1[CH2][CH2][O][CH2]1>[O:30]#[C:29][Mn+:31]12345([CH-:35]6[CH:37]([CH:36]4=[CH:33]3[CH:32]2=[CH:34]61)[c:38]7[cH:40][cH:42][cH:43][cH:41][cH:39]7)[P:10]([CH2:5][CH2:2][P:1]5([C:4]8=[C:9]=[CH:14][CH:18]=[CH:13][CH2:8]8)[c:3]9[cH:7][cH:12][cH:17][cH:11][cH:6]9)([C:16]%10=[C:22]=[CH:26][CH:28]=[CH:25][CH2:21]%10)[C:15]%11=[C:20]=[CH:24][CH:27]=[CH:23][CH2:19]%11">CAN<103:123642>NUM<0004>SEQ<0001>COMPRN<1663452,59592959,109999,98150664>ROLESTAGE<0;1663452;1;reactant>STAGE<0;59592959;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;98150664;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<66>ISM<"[cH:19]1[cH:16][cH:10][c:4]([cH:9][cH:15]1)[P:1]([c:3]2[cH:8][cH:14][cH:18][cH:13][cH:7]2)[c:2]3[cH:5][cH:11][cH:17][cH:12][cH:6]3.[O]#[C][Mn+:20]1234([C:21]#[O:28])([C:22]#[O:29])[CH-:26]5[CH:30]([CH:27]4=[CH:24]3[CH:23]2=[CH:25]51)[c:31]6[cH:32][cH:34][cH:36][cH:35][cH:33]6>[CH2]1[CH2][CH2][O][CH2]1>[O:28]#[C:21][Mn+:20]1234([C:22]#[O:29])([CH-:26]5[CH:30]([CH:27]4=[CH:24]3[CH:23]2=[CH:25]51)[c:31]6[cH:33][cH:35][cH:36][cH:34][cH:32]6)[P:1]([c:4]7[cH:10][cH:16][cH:19][cH:15][cH:9]7)([c:3]8[cH:8][cH:14][cH:18][cH:13][cH:7]8)[c:2]9[cH:6][cH:12][cH:17][cH:11][cH:5]9">CAN<103:123642>NUM<0004>SEQ<0002>COMPRN<603350,59592959,109999,95344619>ROLESTAGE<0;603350;1;reactant>STAGE<0;59592959;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;95344619;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<67>ISM<"[F-][BH2+3]([F-])([F-])[F-].[O:12]#[C:6][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:10][cH:20][cH:29][cH:19][cH:9]2)([C:5]#[O:11])[P:8]([CH2:16][CH2:13][P:7]1([c:15]3[cH:24][cH:33][cH:39][cH:32][cH:23]3)[c:14]4[cH:21][cH:30][cH:38][cH:31][cH:22]4)([c:18]5[cH:28][cH:37][cH:41][cH:36][cH:27]5)[c:17]6[cH:26][cH:35][cH:40][cH:34][cH:25]6>[13C-]#[O+].[Cl][CH2][Cl]>[O:12]#[13C:6][184W+2:3]1([C-2:1]=[CH:2][c:4]2[cH:10][cH:20][cH:29][cH:19][cH:9]2)([13C:5]#[O:11])([13C]#[O])[P:8]([CH2:16][CH2:13][P:7]1([c:15]3[cH:24][cH:33][cH:39][cH:32][cH:23]3)[c:14]4[cH:22][cH:31][cH:38][cH:30][cH:21]4)([c:18]5[cH:28][cH:37][cH:41][cH:36][cH:27]5)[c:17]6[cH:26][cH:35][cH:40][cH:34][cH:25]6">CAN<103:123641>NUM<0002>SEQ<0001>COMPRN<14874705,96454603,1641696,75092,96481297>ROLESTAGE<0;96454614;1;reactant>STAGE<0;1641696;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;96481297;1;product>MCOMPRN<96454614;14874705;1>MCOMPRN<96454614;96454603;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<68>ISM<"[O:14]#[C:7][184W+2:3]1([C-2:1]=[CH:2][c:4]2[cH:11][cH:22][cH:31][cH:21][cH:10]2)([C:6]#[O:13])([C:5]#[O:12])[P:9]([CH2:18][CH2:15][P:8]1([c:17]3[cH:26][cH:35][cH:41][cH:34][cH:25]3)[c:16]4[cH:24][cH:33][cH:40][cH:32][cH:23]4)([c:20]5[cH:30][cH:39][cH:43][cH:38][cH:29]5)[c:19]6[cH:28][cH:37][cH:42][cH:36][cH:27]6>[HH2+].[F-][BH2+3]([F-])([F-])[F-].[Cl][CH2][Cl]>[F-][BH2+3]([F-])([F-])[F-].[OH2:14][CH2:7][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:11][cH:22][cH:31][cH:21][cH:10]2)([C:6]#[O:13])([C:5]#[O:12])[P:9]([CH2:18][CH2:15][P:8]1([c:17]3[cH:26][cH:35][cH:41][cH:34][cH:25]3)[c:16]4[cH:24][cH:33][cH:40][cH:32][cH:23]4)([c:20]5[cH:30][cH:39][cH:43][cH:38][cH:29]5)[c:19]6[cH:28][cH:37][cH:42][cH:36][cH:27]6">CAN<103:123641>NUM<0003>SEQ<0001>COMPRN<88035909,16872110,16872110,75092,14874705,96454501>ROLESTAGE<0;88035909;1;reactant>STAGE<0;16872110;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;96454512;1;product>MCOMPRN<96454512;14874705;1>MCOMPRN<96454512;96454501;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<69>ISM<"[O:14]#[13C:7][184W+2:3]1([C-2:1]=[CH:2][c:4]2[cH:11][cH:22][cH:31][cH:21][cH:10]2)([13C:6]#[O:13])([13C:5]#[O:12])[P:9]([CH2:18][CH2:15][P:8]1([c:17]3[cH:26][cH:35][cH:41][cH:34][cH:25]3)[c:16]4[cH:24][cH:33][cH:40][cH:32][cH:23]4)([c:20]5[cH:30][cH:39][cH:43][cH:38][cH:29]5)[c:19]6[cH:28][cH:37][cH:42][cH:36][cH:27]6>[HH2+].[F-][BH2+3]([F-])([F-])[F-].[Cl][CH2][Cl]>[F-][BH2+3]([F-])([F-])[F-].[OH2:12][13CH2:5][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:11][cH:22][cH:31][cH:21][cH:10]2)([13C:7]#[O:14])([13C:6]#[O:13])[P:9]([CH2:18][CH2:15][P:8]1([c:17]3[cH:25][cH:34][cH:41][cH:35][cH:26]3)[c:16]4[cH:24][cH:33][cH:40][cH:32][cH:23]4)([C:20]5=[C:30]=[CH:39][CH:43]=[CH:38][CH2:29]5)[c:19]6[cH:28][cH:37][cH:42][cH:36][cH:27]6">CAN<103:123641>NUM<0004>SEQ<0001>COMPRN<96481297,16872110,16872110,75092,14874705,96454523>ROLESTAGE<0;96481297;1;reactant>STAGE<0;16872110;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;96454534;1;product>MCOMPRN<96454534;14874705;1>MCOMPRN<96454534;96454523;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<70>ISM<"[O:14]#[C:7][184W+2:3]1([C-2:1]=[CH:2][c:4]2[cH:11][cH:22][cH:31][cH:21][cH:10]2)([C:6]#[O:13])([C:5]#[O:12])[P:9]([CH2:18][CH2:15][P:8]1([c:17]3[cH:26][cH:35][cH:41][cH:34][cH:25]3)[c:16]4[cH:24][cH:33][cH:40][cH:32][cH:23]4)([c:20]5[cH:30][cH:39][cH:43][cH:38][cH:29]5)[c:19]6[cH:28][cH:37][cH:42][cH:36][cH:27]6>[CH3][O+]([CH3])[CH3].[F-][BH2+3]([F-])([F-])[F-].[Cl][CH2][Cl]>[F-][BH2+3]([F-])([F-])[F-].[CH3][CH:2]([C-3:1][184W+4:3]1([CH2:7][OH2:14])([C:6]#[O:13])([C:5]#[O:12])[P:9]([CH2:18][CH2:15][P:8]1([c:17]2[cH:26][cH:35][cH:41][cH:34][cH:25]2)[c:16]3[cH:24][cH:33][cH:40][cH:32][cH:23]3)([c:20]4[cH:30][cH:39][cH:43][cH:38][cH:29]4)[c:19]5[cH:28][cH:37][cH:42][cH:36][cH:27]5)[c:4]6[cH:11][cH:22][cH:31][cH:21][cH:10]6">CAN<103:123641>NUM<0005>SEQ<0001>COMPRN<88035909,43625656,14874705,75092,14874705,96454545>ROLESTAGE<0;88035909;1;reactant>STAGE<0;420371;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;96454556;1;product>MCOMPRN<96454556;14874705;1>MCOMPRN<96454556;96454545;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<71>ISM<"[F-][BH2+3]([F-])([F-])[F-].[OH2:12][CH2:6][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:10][cH:20][cH:29][cH:19][cH:9]2)([C:5]#[O:11])([C]#[O])[P:8]([CH2:16][CH2:13][P:7]1([c:15]3[cH:24][cH:33][cH:39][cH:32][cH:23]3)[c:14]4[cH:22][cH:31][cH:38][cH:30][cH:21]4)([c:18]5[cH:28][cH:37][cH:41][cH:36][cH:27]5)[c:17]6[cH:26][cH:35][cH:40][cH:34][cH:25]6>[Cl-].[CH3][CH2][N+]([CH2][CH3])([CH2][CH3])[CH2][CH3].[Cl][CH2][Cl]>[Cl-][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:10][cH:20][cH:29][cH:19][cH:9]2)([C:6]#[O:12])([C:5]#[O:11])[P:8]([CH2:16][CH2:13][P:7]1([c:15]3[cH:24][cH:33][cH:39][cH:32][cH:23]3)[c:14]4[cH:21][cH:30][cH:38][cH:31][cH:22]4)([c:18]5[cH:28][cH:37][cH:41][cH:36][cH:27]5)[c:17]6[cH:26][cH:35][cH:40][cH:34][cH:25]6">CAN<103:123641>NUM<0007>SEQ<0001>COMPRN<14874705,96454501,56348,56348,75092,88035910>ROLESTAGE<0;96454512;1;reactant>STAGE<0;56348;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;88035910;1;product>MCOMPRN<96454512;14874705;1>MCOMPRN<96454512;96454501;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<72>ISM<"[F-][BH2+3]([F-])([F-])[F-].[OH2:12][CH2:6][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:10][cH:20][cH:29][cH:19][cH:9]2)([C:5]#[O:11])([C]#[O])[P:8]([CH2:16][CH2:13][P:7]1([c:15]3[cH:24][cH:33][cH:39][cH:32][cH:23]3)[c:14]4[cH:22][cH:31][cH:38][cH:30][cH:21]4)([c:18]5[cH:28][cH:37][cH:41][cH:36][cH:27]5)[c:17]6[cH:26][cH:35][cH:40][cH:34][cH:25]6>[Br-].[CH3][CH2][N+]([CH2][CH3])([CH2][CH3])[CH2][CH3].[Cl][CH2][Cl]>[Br-][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:10][cH:20][cH:29][cH:19][cH:9]2)([C:6]#[O:12])([C:5]#[O:11])[P:8]([CH2:16][CH2:13][P:7]1([c:15]3[cH:24][cH:33][cH:39][cH:32][cH:23]3)[c:14]4[cH:21][cH:30][cH:38][cH:31][cH:22]4)([c:18]5[cH:28][cH:37][cH:41][cH:36][cH:27]5)[c:17]6[cH:26][cH:35][cH:40][cH:34][cH:25]6">CAN<103:123641>NUM<0008>SEQ<0001>COMPRN<14874705,96454501,71910,71910,75092,96454578>ROLESTAGE<0;96454512;1;reactant>STAGE<0;71910;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;96454578;1;product>MCOMPRN<96454512;14874705;1>MCOMPRN<96454512;96454501;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<73>ISM<"[F-][BH2+3]([F-])([F-])[F-].[OH2:12][CH2:6][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:10][cH:20][cH:29][cH:19][cH:9]2)([C:5]#[O:11])([C]#[O])[P:8]([CH2:16][CH2:13][P:7]1([c:15]3[cH:24][cH:33][cH:39][cH:32][cH:23]3)[c:14]4[cH:22][cH:31][cH:38][cH:30][cH:21]4)([c:18]5[cH:28][cH:37][cH:41][cH:36][cH:27]5)[c:17]6[cH:26][cH:35][cH:40][cH:34][cH:25]6>[127I-].[CH3][CH2][N+]([CH2][CH3])([CH2][CH3])[CH2][CH3].[Cl][CH2][Cl]>[127I-][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:10][cH:20][cH:29][cH:19][cH:9]2)([C:6]#[O:12])([C:5]#[O:11])[P:8]([CH2:16][CH2:13][P:7]1([c:15]3[cH:24][cH:33][cH:39][cH:32][cH:23]3)[c:14]4[cH:21][cH:30][cH:38][cH:31][cH:22]4)([c:18]5[cH:28][cH:37][cH:41][cH:36][cH:27]5)[c:17]6[cH:26][cH:35][cH:40][cH:34][cH:25]6">CAN<103:123641>NUM<0009>SEQ<0001>COMPRN<14874705,96454501,68053,68053,75092,96454589>ROLESTAGE<0;96454512;1;reactant>STAGE<0;68053;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;96454589;1;product>MCOMPRN<96454512;14874705;1>MCOMPRN<96454512;96454501;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<74>ISM<"[F-][BH2+3]([F-])([F-])[F-].[O:12]#[C:6][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:10][cH:20][cH:29][cH:19][cH:9]2)([C:5]#[O:11])[P:8]([CH2:16][CH2:13][P:7]1([c:15]3[cH:24][cH:33][cH:39][cH:32][cH:23]3)[c:14]4[cH:21][cH:30][cH:38][cH:31][cH:22]4)([c:18]5[cH:28][cH:37][cH:41][cH:36][cH:27]5)[c:17]6[cH:26][cH:35][cH:40][cH:34][cH:25]6>[F-].[CH3][CH2][N+]([CH2][CH3])([CH2][CH3])[CH2][CH3].[Cl][CH2][Cl]>[F-][184W+4:3]1([C-3:1][CH2:2][c:4]2[cH:10][cH:20][cH:29][cH:19][cH:9]2)([C:6]#[O:12])([C:5]#[O:11])[P:8]([CH2:16][CH2:13][P:7]1([c:15]3[cH:24][cH:33][cH:39][cH:32][cH:23]3)[c:14]4[cH:21][cH:30][cH:38][cH:31][cH:22]4)([c:18]5[cH:28][cH:37][cH:41][cH:36][cH:27]5)[c:17]6[cH:26][cH:35][cH:40][cH:34][cH:25]6">CAN<103:123641>NUM<0010>SEQ<0001>COMPRN<14874705,96454603,665463,665463,75092,96454590>ROLESTAGE<0;96454614;1;reactant>STAGE<0;665463;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;96454590;1;product>MCOMPRN<96454614;14874705;1>MCOMPRN<96454614;96454603;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<75>ISM<"[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[OH2:17][CH2:11][184W+4:8]1([C-3:6][CH2:7][c:9]2[cH:15][cH:25][cH:34][cH:24][cH:14]2)([C:10]#[O:16])([C]#[O])[P:13]([CH2:21][CH2:18][P:12]1([c:20]3[cH:29][cH:38][cH:44][cH:37][cH:28]3)[c:19]4[cH:27][cH:36][cH:43][cH:35][cH:26]4)([c:23]5[cH:33][cH:42][cH:46][cH:41][cH:32]5)[c:22]6[cH:31][cH:40][cH:45][cH:39][cH:30]6>[Cl][CH2][Cl]>[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[O:17]#[C:11][184W+4:8]1([C-3:6][CH2:7][c:9]2[cH:15][cH:25][cH:34][cH:24][cH:14]2)([C:10]#[O:16])[P:13]([CH2:21][CH2:18][P:12]1([c:20]3[cH:29][cH:38][cH:44][cH:37][cH:28]3)[c:19]4[cH:26][cH:35][cH:43][cH:36][cH:27]4)([c:23]5[cH:33][cH:42][cH:46][cH:41][cH:32]5)[c:22]6[cH:31][cH:40][cH:45][cH:39][cH:30]6">CAN<103:123641>NUM<0011>SEQ<0001>COMPRN<14874705,96454501,75092,14874705,96454603>ROLESTAGE<0;96454512;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;96454614;1;product>MCOMPRN<96454512;14874705;1>MCOMPRN<96454512;96454501;1>MCOMPRN<96454614;14874705;1>MCOMPRN<96454614;96454603;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<76>ISM<"[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[OH2][13CH2][184W+4:8]1([C-3:6][CH2:7][c:9]2[cH:15][cH:25][cH:34][cH:24][cH:14]2)([13C:11]#[O:17])([13C:10]#[O:16])[P:13]([CH2:21][CH2:18][P:12]1([c:20]3[cH:28][cH:37][cH:44][cH:38][cH:29]3)[c:19]4[cH:27][cH:36][cH:43][cH:35][cH:26]4)([C:23]5=[C:33]=[CH:42][CH:46]=[CH:41][CH2:32]5)[c:22]6[cH:31][cH:40][cH:45][cH:39][cH:30]6>[Cl][CH2][Cl]>[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[O:17]#[13C:11][184W+4:8]1([C-3:6][CH2:7][c:9]2[cH:15][cH:25][cH:34][cH:24][cH:14]2)([13C:10]#[O:16])[P:13]([CH2:21][CH2:18][P:12]1([c:20]3[cH:29][cH:38][cH:44][cH:37][cH:28]3)[c:19]4[cH:26][cH:35][cH:43][cH:36][cH:27]4)([c:23]5[cH:33][cH:42][cH:46][cH:41][cH:32]5)[c:22]6[cH:31][cH:40][cH:45][cH:39][cH:30]6">CAN<103:123641>NUM<0012>SEQ<0001>COMPRN<14874705,96454523,75092,14874705,96454625>ROLESTAGE<0;96454534;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;96454636;1;product>MCOMPRN<96454534;14874705;1>MCOMPRN<96454534;96454523;1>MCOMPRN<96454636;14874705;1>MCOMPRN<96454636;96454625;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<77>ISM<"[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[O:17]#[C:11][184W+4:8]1([C-3:6][CH2:7][c:9]2[cH:15][cH:25][cH:34][cH:24][cH:14]2)([C:10]#[O:16])[P:13]([CH2:21][CH2:18][P:12]1([c:20]3[cH:29][cH:38][cH:44][cH:37][cH:28]3)[c:19]4[cH:26][cH:35][cH:43][cH:36][cH:27]4)([c:23]5[cH:33][cH:42][cH:46][cH:41][cH:32]5)[c:22]6[cH:31][cH:40][cH:45][cH:39][cH:30]6>[CH3][P]([CH3])[CH3].[Cl][CH2][Cl]>[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[CH3][P]([CH3])([CH3])[184W+4:8]1([C-3:6][CH2:7][c:9]2[cH:14][cH:24][cH:34][cH:25][cH:15]2)([C:11]#[O:17])([C:10]#[O:16])[P:13]([CH2:21][CH2:18][P:12]1([c:20]3[cH:29][cH:38][cH:44][cH:37][cH:28]3)[c:19]4[cH:27][cH:36][cH:43][cH:35][cH:26]4)([c:23]5[cH:33][cH:42][cH:46][cH:41][cH:32]5)[c:22]6[cH:31][cH:40][cH:45][cH:39][cH:30]6">CAN<103:123641>NUM<0013>SEQ<0001>COMPRN<14874705,96454603,594092,75092,14874705,96454647>ROLESTAGE<0;96454614;1;reactant>STAGE<0;594092;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;96454658;1;product>MCOMPRN<96454614;14874705;1>MCOMPRN<96454614;96454603;1>MCOMPRN<96454658;14874705;1>MCOMPRN<96454658;96454647;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<78>ISM<"[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[O:17]#[C:11][184W+4:8]1([C-3:6][CH2:7][c:9]2[cH:15][cH:25][cH:34][cH:24][cH:14]2)([C:10]#[O:16])[P:13]([CH2:21][CH2:18][P:12]1([c:20]3[cH:29][cH:38][cH:44][cH:37][cH:28]3)[c:19]4[cH:26][cH:35][cH:43][cH:36][cH:27]4)([c:23]5[cH:33][cH:42][cH:46][cH:41][cH:32]5)[c:22]6[cH:31][cH:40][cH:45][cH:39][cH:30]6>[CH3][C](=[O])[CH3]>[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[CH3][C](=[O][184W+4:8]1([C-3:6][CH2:7][c:9]2[cH:15][cH:25][cH:34][cH:24][cH:14]2)([C:11]#[O:17])([C:10]#[O:16])[P:13]([CH2:21][CH2:18][P:12]1([c:20]3[cH:28][cH:37][cH:44][cH:38][cH:29]3)[c:19]4[cH:26][cH:35][cH:43][cH:36][cH:27]4)([c:23]5[cH:33][cH:42][cH:46][cH:41][cH:32]5)[c:22]6[cH:31][cH:40][cH:45][cH:39][cH:30]6)[CH3]">CAN<103:123641>NUM<0014>SEQ<0001>COMPRN<14874705,96454603,67641,14874705,96454669>ROLESTAGE<0;96454614;1;reactant>STAGE<0;67641;1;reagent>STAGE<0;96454670;1;product>MCOMPRN<96454614;14874705;1>MCOMPRN<96454614;96454603;1>MCOMPRN<96454670;14874705;1>MCOMPRN<96454670;96454669;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<79>ISM<"[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[O:17]#[C:11][184W+4:8]1([C-3:6][CH2:7][c:9]2[cH:15][cH:25][cH:34][cH:24][cH:14]2)([C:10]#[O:16])[P:13]([CH2:21][CH2:18][P:12]1([c:20]3[cH:29][cH:38][cH:44][cH:37][cH:28]3)[c:19]4[cH:26][cH:35][cH:43][cH:36][cH:27]4)([c:23]5[cH:33][cH:42][cH:46][cH:41][cH:32]5)[c:22]6[cH:31][cH:40][cH:45][cH:39][cH:30]6>[OH2].[Cl][CH2][Cl]>[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[OH2:16][CH2:10][184W+4:8]1([OH2])([C-3:6][CH2:7][c:9]2[cH:14][cH:24][cH:34][cH:25][cH:15]2)([C:11]#[O:17])[P:12]([CH2:18][CH2:21][P:13]1([c:23]3[cH:33][cH:42][cH:46][cH:41][cH:32]3)[c:22]4[cH:31][cH:40][cH:45][cH:39][cH:30]4)([C:20]5=[C:29]=[CH:38][CH:44]=[CH:37][CH2:28]5)[c:19]6[cH:27][cH:36][cH:43][cH:35][cH:26]6">CAN<103:123641>NUM<0015>SEQ<0001>COMPRN<14874705,96454603,7732185,75092,14874705,96481300>ROLESTAGE<0;96454614;1;reactant>STAGE<0;7732185;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;96481311;1;product>MCOMPRN<96454614;14874705;1>MCOMPRN<96454614;96454603;1>MCOMPRN<96481311;14874705;1>MCOMPRN<96481311;96481300;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<80>ISM<"[Li].[CH3:5][N:2]([CH3:6])[C:1](=[S:3])[SH:4].[F-][BH2+3]([F-])([F-])[F-].[O:18]#[C:12][184W+4:9]1([C-3:7][CH2:8][c:10]2[cH:16][cH:26][cH:35][cH:25][cH:15]2)([C:11]#[O:17])[P:14]([CH2:22][CH2:19][P:13]1([c:21]3[cH:30][cH:39][cH:45][cH:38][cH:29]3)[c:20]4[cH:27][cH:36][cH:44][cH:37][cH:28]4)([c:24]5[cH:34][cH:43][cH:47][cH:42][cH:33]5)[c:23]6[cH:32][cH:41][cH:46][cH:40][cH:31]6>[Cl][CH2][Cl]>[CH3:6][N:2]([CH3:5])[C:1]1=[S:3][184W+2:9]23([S-:4]1)([C:12]#[O:18])([C-:7](=[C:11]2=[O:17])[CH2:8][c:10]4[cH:16][cH:26][cH:35][cH:25][cH:15]4)[P:14]([CH2:22][CH2:19][P:13]3([c:20]5[cH:28][cH:37][cH:44][cH:36][cH:27]5)[c:21]6[cH:30][cH:39][cH:45][cH:38][cH:29]6)([c:23]7[cH:32][cH:41][cH:46][cH:40][cH:31]7)[c:24]8[cH:33][cH:42][cH:47][cH:43][cH:34]8">CAN<103:123641>NUM<0016>SEQ<0001>COMPRN<128041,128041,14874705,96454603,75092,96454681>ROLESTAGE<0;128041;1;reactant>STAGE<0;96454614;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;96454681;1;product>MCOMPRN<96454614;14874705;1>MCOMPRN<96454614;96454603;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<81>ISM<"[Li].[CH3:5][N:2]([CH3:6])[C:1](=[S:3])[SH:4].[F-][BH2+3]([F-])([F-])[F-].[O]#[13C][184W+4:9]1([C-3:7][CH2:8][c:10]2[cH:15][cH:24][cH:33][cH:23][cH:14]2)([13C:11]#[O:16])[P:13]([CH2:20][CH2:17][P:12]1([c:19]3[cH:28][cH:37][cH:43][cH:36][cH:27]3)[c:18]4[cH:25][cH:34][cH:42][cH:35][cH:26]4)([c:22]5[cH:32][cH:41][cH:45][cH:40][cH:31]5)[c:21]6[cH:30][cH:39][cH:44][cH:38][cH:29]6>[Cl][CH2][Cl]>[CH3:6][N:2]([CH3:5])[C:1]1=[S:3][184W+2:9]23([S-:4]1)([13C:11]#[O:16])([C-:7](=[C]2=[O])[CH2:8][c:10]4[cH:15][cH:24][cH:33][cH:23][cH:14]4)[P:13]([CH2:20][CH2:17][P:12]3([c:18]5[cH:26][cH:35][cH:42][cH:34][cH:25]5)[c:19]6[cH:28][cH:37][cH:43][cH:36][cH:27]6)([c:21]7[cH:30][cH:39][cH:44][cH:38][cH:29]7)[c:22]8[cH:31][cH:40][cH:45][cH:41][cH:32]8">CAN<103:123641>NUM<0017>SEQ<0001>COMPRN<128041,128041,14874705,96454625,75092,96454692>ROLESTAGE<0;128041;1;reactant>STAGE<0;96454636;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;96454692;1;product>MCOMPRN<96454636;14874705;1>MCOMPRN<96454636;96454625;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<82>ISM<"[Li].[CH3:7][CH2:3][N:1]([CH2:4][CH3:8])[C:2](=[S:5])[SH:6].[F-][BH2+3]([F-])([F-])[F-].[O:20]#[C:14][184W+4:11]1([C-3:9][CH2:10][c:12]2[cH:18][cH:28][cH:37][cH:27][cH:17]2)([C:13]#[O:19])[P:16]([CH2:24][CH2:21][P:15]1([c:23]3[cH:32][cH:41][cH:47][cH:40][cH:31]3)[c:22]4[cH:29][cH:38][cH:46][cH:39][cH:30]4)([c:26]5[cH:36][cH:45][cH:49][cH:44][cH:35]5)[c:25]6[cH:34][cH:43][cH:48][cH:42][cH:33]6>[Cl][CH2][Cl]>[CH3:8][CH2:4][N:1]([CH2:3][CH3:7])[C:2]1=[S:5][184W+2:11]23([S-:6]1)([C:14]#[O:20])([C-:9](=[C:13]2=[O:19])[CH2:10][c:12]4[cH:18][cH:28][cH:37][cH:27][cH:17]4)[P:15]([CH2:21][CH2:24][P:16]3([c:26]5[cH:36][cH:45][cH:49][cH:44][cH:35]5)[c:25]6[cH:34][cH:43][cH:48][cH:42][cH:33]6)([c:23]7[cH:32][cH:41][cH:47][cH:40][cH:31]7)[c:22]8[cH:29][cH:38][cH:46][cH:39][cH:30]8">CAN<103:123641>NUM<0018>SEQ<0001>COMPRN<148185,148185,14874705,96454603,75092,96454705>ROLESTAGE<0;148185;1;reactant>STAGE<0;96454614;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;96454705;1;product>MCOMPRN<96454614;14874705;1>MCOMPRN<96454614;96454603;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<83>ISM<"[CH3:39][N:27]([CH3:38])[C:17]1=[S:9][184W+2:3]23([S-:8]1)([C:1]#[O:2])([C-:6](=[C:7]2=[O])[CH2:16][c:26]4[cH:37][cH:45][cH:46][cH:44][cH:36]4)[P:5]([CH2:13][CH2:10][P:4]3([c:11]5[cH:19][cH:29][cH:40][cH:28][cH:18]5)[c:12]6[cH:21][cH:31][cH:41][cH:30][cH:20]6)([c:14]7[cH:23][cH:33][cH:42][cH:32][cH:22]7)[c:15]8[cH:24][cH:34][cH:43][cH:35][cH:25]8>[CH3][O+]([CH3])[CH3].[F-][BH2+3]([F-])([F-])[F-].[Cl][CH2][Cl]>[F-][BH2+3]([F-])([F-])[F-].[CH3][O][C:7]1#[C:6]([CH2:16][c:26]2[cH:37][cH:45][cH:46][cH:44][cH:36]2)[184W+2:3]314([S-:8][C:17](=[S:9]3)[N:27]([CH3:39])[CH3:38])([C:1]#[O:2])[P:4]([CH2:10][CH2:13][P:5]4([c:15]5[cH:24][cH:34][cH:43][cH:35][cH:25]5)[c:14]6[cH:22][cH:32][cH:42][cH:33][cH:23]6)([c:11]7[cH:19][cH:29][cH:40][cH:28][cH:18]7)[c:12]8[cH:21][cH:31][cH:41][cH:30][cH:20]8">CAN<103:123641>NUM<0019>SEQ<0001>COMPRN<96454681,43625656,14874705,75092,14874705,96454716>ROLESTAGE<0;96454681;1;reactant>STAGE<0;420371;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;96454727;1;product>MCOMPRN<96454727;14874705;1>MCOMPRN<96454727;96454716;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<84>ISM<"[CH:2]#[C:1][c:3]1[cH:4][cH:6][cH:8][cH:7][cH:5]1.[CH3][C](=[O][184W:9]1([C:12]#[O:17])([C:11]#[O:16])([C:10]#[O:15])[P:14]([CH2:21][CH2:18][P:13]1([c:20]2[cH:27][cH:35][cH:41][cH:34][cH:26]2)[c:19]3[cH:25][cH:33][cH:40][cH:32][cH:24]3)([c:23]4[cH:31][cH:39][cH:43][cH:38][cH:30]4)[c:22]5[cH:29][cH:37][cH:42][cH:36][cH:28]5)[CH3]>[OH2].[CH2]1[CH2][CH2][O][CH2]1>[O:17]#[C:12][184W+2:9]1([C-2:2]=[CH:1][c:3]2[cH:5][cH:7][cH:8][cH:6][cH:4]2)([C:11]#[O:16])([C:10]#[O:15])[P:14]([CH2:21][CH2:18][P:13]1([c:20]3[cH:27][cH:35][cH:41][cH:34][cH:26]3)[c:19]4[cH:25][cH:33][cH:40][cH:32][cH:24]4)([c:23]5[cH:31][cH:39][cH:43][cH:38][cH:30]5)[c:22]6[cH:29][cH:37][cH:42][cH:36][cH:28]6">CAN<103:123641>NUM<0021>SEQ<0001>COMPRN<536743,87900843,7732185,109999,88035909>ROLESTAGE<0;536743;1;reactant>STAGE<0;87900843;1;reactant>STAGE<0;7732185;1;catalyst>STAGE<0;109999;1;solvent>STAGE<0;88035909;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<85>ISM<"[127I:1][CH2][CH2][CH2][127I].[CH3:5][N+:3]#[C-:2][98Mo:4]1234([C:6]#[O:13])([C:7]#[O:14])[CH-:8]5[CH:11]2=[CH:10]3[CH:9]4=[CH:12]51>[CH2]1[CH2][CH2][O][CH2]1>[CH3:5][N:3]1[CH2][CH2][CH2][C-2:2]1[98Mo+4:4]2345([127I-:1])([C:6]#[O:13])([C:7]#[O:14])[CH-:8]6[CH:12]3=[CH:9]4[CH:10]5=[CH:11]62">CAN<103:123640>NUM<0001>SEQ<0001>COMPRN<627316,56665408,109999,98150788>ROLESTAGE<0;627316;1;reactant>STAGE<0;56665408;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;98150788;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<86>ISM<"[O]#[C][98Mo]1([C]#[O])([C]#[O])([C]#[O])[n]2[cH][cH][cH][cH][c]2[c]3[cH][cH][cH][cH][n]31.[Cl][127I]([Cl])[c]1[cH][cH][cH][cH][cH]1.[CH3][N+]#[C-].[39KH+].[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]>[CH3][OH].[CH3][OH].[CH3][OH].[CH3][C](=[O])[CH3]>[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].[CH3][N+]#[C-][98Mo+2]1([C-]#[N+][CH3])([C-]#[N+][CH3])([C-]#[N+][CH3])([C-]#[N+][CH3])[n]2[cH][cH][cH][cH][c]2[c]3[cH][cH][cH][cH][n]31">CAN<103:123639>NUM<0010>SEQ<0001>COMPRN<15668641,932729,593759,17084138,17084138,67561,67561,67561,67641,16919189,86954203>ROLESTAGE<1;932729;1;reactant>STAGE<1;15668641;1;reactant>STAGE<2;593759;1;reactant>STAGE<3;17084138;1;reactant>STAGE<1;67561;1;solvent>STAGE<2;67561;1;solvent>STAGE<3;67561;1;solvent>STAGE<3;67641;1;solvent>STAGE<3;86954214;1;product>MCOMPRN<86954214;16919189;1>MCOMPRN<86954214;86954203;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) Warning converting TDT: $RXNID<87>ISM<"[CH3][C:1]([CH3])([CH3])[N+:2]#[C-:3].[CH3][C:4]([CH3])([CH3])[N+:5]#[C-:6].[CH3][C:7]([CH3])([CH3])[N+:8]#[C-:9].[CH3][C:10]([CH3])([CH3])[N+:11]#[C-:12].[CH3][C:13]([CH3])([CH3])[N+:14]#[C-:15].[39KH+].[F-:17][PH2+5:16]([F-:18])([F-:19])([F-:20])([F-:21])[F-:22].[Cl][202Hg][98Mo+:23]1([Cl-])([C]#[O])([C]#[O])([C]#[O])[n:24]2[cH:27][cH:31][cH:34][cH:30][c:26]2[c:28]3[cH:32][cH:35][cH:33][cH:29][n:25]31>[CH3][OH].[CH3][OH].[CH3][C](=[O])[CH3]>[F-:17][PH2+5:16]([F-:18])([F-:19])([F-:20])([F-:21])[F-:22].[CH3:15][N+:14]#[C-:13][98Mo+2:23]1([C-:10]#[N+:11][CH3:12])([C-:7]#[N+:8][CH3:9])([C-:1]#[N+:2][CH3:3])([C-:4]#[N+:5][CH3:6])[n:25]2[cH:29][cH:33][cH:35][cH:32][c:28]2[c:26]3[cH:30][cH:34][cH:31][cH:27][n:24]31">CAN<103:123639>NUM<0010>SEQ<0002>COMPRN<7188387,7188387,7188387,7188387,7188387,17084138,17084138,22026808,67561,67561,67641,16919189,86954203>ROLESTAGE<1;7188387;5;reactant>STAGE<1;22026808;1;reactant>STAGE<2;17084138;1;reactant>STAGE<1;67561;1;solvent>STAGE<2;67561;1;solvent>STAGE<2;67641;1;solvent>STAGE<2;86954214;1;product>MCOMPRN<86954214;16919189;1>MCOMPRN<86954214;86954203;1>| Error messages: WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) Warning converting TDT: $RXNID<88>ISM<"[CH3:3][CH:1]([CH3:4])[N+:2]#[C-:5].[CH3:8][CH:6]([CH3:9])[N+:7]#[C-:10].[CH3:13][CH:11]([CH3:14])[N+:12]#[C-:15].[CH3:18][CH:16]([CH3:19])[N+:17]#[C-:20].[CH3:23][CH:21]([CH3:24])[N+:22]#[C-:25].[39KH+].[F-:27][PH2+5:26]([F-:28])([F-:29])([F-:30])([F-:31])[F-:32].[Cl][202Hg][98Mo+:33]1([Cl-])([C]#[O])([C]#[O])([C]#[O])[n:34]2[cH:37][cH:41][cH:44][cH:40][c:36]2[c:38]3[cH:42][cH:45][cH:43][cH:39][n:35]31>[CH3][OH].[CH3][OH].[CH3][C](=[O])[CH3]>[F-:27][PH2+5:26]([F-:28])([F-:29])([F-:30])([F-:31])[F-:32].[CH3:4][CH:1]([CH3:3])[N+:2]#[C-:5][98Mo+2:33]1([C-:10]#[N+:7][CH:6]([CH3:9])[CH3:8])([C-:20]#[N+:17][CH:16]([CH3:19])[CH3:18])([C-:15]#[N+:12][CH:11]([CH3:13])[CH3:14])([C-:25]#[N+:22][CH:21]([CH3:24])[CH3:23])[n:35]2[cH:39][cH:43][cH:45][cH:42][c:38]2[c:36]3[cH:40][cH:44][cH:41][cH:37][n:34]31">CAN<103:123639>NUM<0011>SEQ<0001>COMPRN<598458,598458,598458,598458,598458,17084138,17084138,22026808,67561,67561,67641,16919189,86968436>ROLESTAGE<1;598458;5;reactant>STAGE<1;22026808;1;reactant>STAGE<2;17084138;1;reactant>STAGE<1;67561;1;solvent>STAGE<2;67561;1;solvent>STAGE<2;67641;1;solvent>STAGE<2;86968447;1;product>MCOMPRN<86968447;16919189;1>MCOMPRN<86968447;86968436;1>| Error messages: WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) Warning converting TDT: $RXNID<89>ISM<"[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].[CH3:39][c:37]1[cH:26][cH:19][n:9]2[c:18]([cH:25]1)[c:16]3[cH:23][c:36]([CH3:38])[cH:24][cH:17][n:8]3[98Mo+2:3]2([Cl-])([C-:7]#[N+:15][C:22]([CH3:35])([CH3:34])[CH3:33])([C-:6]#[N+:14][C:21]([CH3:32])([CH3:31])[CH3:30])([C-:1]#[N+:2][C:4]([CH3:10])([CH3:11])[CH3:12])[C-:5]#[N+:13][C:20]([CH3:29])([CH3:28])[CH3:27].[CH3:42][C:40]([CH3:43])([CH3:44])[N+:41]#[C-:45].[39KH+].[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]>[CH3][OH]>[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].[CH3:39][c:37]1[cH:26][cH:19][n:9]2[c:18]([cH:25]1)[c:16]3[cH:23][c:36]([CH3:38])[cH:24][cH:17][n:8]3[98Mo+2:3]2([C-:45]#[N+:41][C:40]([CH3:44])([CH3:43])[CH3:42])([C-:1]#[N+:2][C:4]([CH3:10])([CH3:11])[CH3:12])([C-:7]#[N+:15][C:22]([CH3:34])([CH3:33])[CH3:35])([C-:5]#[N+:13][C:20]([CH3:27])([CH3:29])[CH3:28])[C-:6]#[N+:14][C:21]([CH3:32])([CH3:31])[CH3:30]">CAN<103:123639>NUM<0015>SEQ<0001>COMPRN<16919189,98118526,7188387,17084138,17084138,67561,16919189,98150573>ROLESTAGE<0;7188387;1;reactant>STAGE<0;17084138;1;reactant>STAGE<0;98118537;1;reactant>STAGE<0;67561;1;solvent>STAGE<0;98150584;1;product>MCOMPRN<98118537;17084138;1>MCOMPRN<98150584;16919189;1>MCOMPRN<98150584;98150573;1>| Error messages: WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) Warning converting TDT: $RXNID<90>ISM<"[39KH+].[F-:2][PH2+5:1]([F-:3])([F-:4])([F-:5])([F-:6])[F-:7].[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].[CH3:20][C:11]([CH3:18])([CH3:19])[N+:9]#[C-:8][98Mo+2:10]1([C-:13]#[N+:22][C:30]([CH3:39])([CH3:40])[CH3:41])([C-:15]#[N+:24][C]([CH3])([CH3])[CH3])([C-:14]#[N+:23][C:31]([CH3:44])([CH3:43])[CH3:42])([C-:12]#[N+:21][C:29]([CH3:36])([CH3:38])[CH3:37])[n:16]2[cH:26][cH:33][cH:46][c:32]3[cH:45][cH:47][c:34]4[cH:48][cH:35][cH:28][n:17]1[c:27]4[c:25]23.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].[CH3][C]([CH3])([CH3])[N+]#[C-][98Mo+2:49]1([C-:51]#[N+:57][C:65]([CH3:75])([CH3:76])[CH3:77])([C-:53]#[N+:59][C:67]([CH3:83])([CH3:82])[CH3:81])([C-:52]#[N+:58][C:66]([CH3:80])([CH3:79])[CH3:78])([C-:50]#[N+:56][C:64]([CH3:72])([CH3:74])[CH3:73])[n:54]2[cH:61][cH:69][cH:85][c:68]3[cH:84][cH:86][c:70]4[cH:87][cH:71][cH:63][n:55]1[c:62]4[c:60]23>[CH3][CH2][CH2][OH]>[F-:2][PH2+5:1]([F-:3])([F-:4])([F-:5])([F-:6])[F-:7].[CH3:36][C:29]([CH3:38])([CH3:37])[N+:21]#[C-:12][98MoH254+2:10]1([C-:8]#[N+:9][C:11]([CH3:18])([CH3:20])[CH3:19])([C-:14]#[N+:23][C:31]([CH3:43])([CH3:42])[CH3:44])([C-:13]#[N+:22][C:30]([CH3:41])([CH3:40])[CH3:39])([CH254-:15]#[NH254:24][98MoH254+2:49]2([C-:52]#[N+:58][C:66]([CH3:80])([CH3:79])[CH3:78])([C-:53]#[N+:59][C:67]([CH3:81])([CH3:83])[CH3:82])([C-:50]#[N+:56][C:64]([CH3:73])([CH3:74])[CH3:72])([C-:51]#[N+:57][C:65]([CH3:77])([CH3:76])[CH3:75])[n:55]3[cH:63][cH:71][cH:87][c:70]4[cH:86][cH:84][c:68]5[cH:85][cH:69][cH:61][n:54]2[c:60]5[c:62]34)[n:17]6[cH:28][cH:35][cH:48][c:34]7[cH:47][cH:45][c:32]8[cH:46][cH:33][cH:26][n:16]1[c:25]8[c:27]67">CAN<103:123639>NUM<0020>SEQ<0001>COMPRN<17084138,17084138,16919189,90885464,16919189,90885464,71238,16919189,86954145>ROLESTAGE<0;17084138;1;reactant>STAGE<0;90885475;2;reactant>STAGE<0;71238;1;solvent>STAGE<0;86954156;1;product>MCOMPRN<90885475;16919189;1>MCOMPRN<90885475;90885464;1>MCOMPRN<86954156;16919189;1>MCOMPRN<86954156;86954145;1>| Error messages: WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<91>ISM<"[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].[CH3][c]1[cH][cH][n]2[c]([cH]1)[c]3[cH][c]([CH3])[cH][cH][n]3[98MoH254+2]2([C-]#[N+][C]([CH3])([CH3])[CH3])([C-]#[N+][C]([CH3])([CH3])[CH3])([C-]#[N+][C]([CH3])([CH3])[CH3])([C-]#[N+][C]([CH3])([CH3])[CH3])[CH254-]#[NH254][98MoH254+2]4([C-]#[N+][C]([CH3])([CH3])[CH3])([C-]#[N+][C]([CH3])([CH3])[CH3])([C-]#[N+][C]([CH3])([CH3])[CH3])([C-]#[N+][C]([CH3])([CH3])[CH3])[n]5[cH][cH][c]([CH3])[cH][c]5[c]6[cH][c]([CH3])[cH][cH][n]64.[39KH+].[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].[CH3][C]([CH3])([CH3])[Cl]>[CH3][OH]>[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].[CH3][c]1[cH][cH][n]2[c]([cH]1)[c]3[cH][c]([CH3])[cH][cH][n]3[98Mo+2]2([Cl-])([C-]#[N+][C]([CH3])([CH3])[CH3])([C-]#[N+][C]([CH3])([CH3])[CH3])([C-]#[N+][C]([CH3])([CH3])[CH3])[C-]#[N+][C]([CH3])([CH3])[CH3]">CAN<103:123639>NUM<0021>SEQ<0001>COMPRN<16919189,86954123,17084138,17084138,507200,67561,16919189,98118526>ROLESTAGE<0;507200;1;reactant>STAGE<0;17084138;1;reactant>STAGE<0;86954134;1;reactant>STAGE<0;67561;1;solvent>STAGE<0;98118537;1;product>MCOMPRN<86954134;507200;1>MCOMPRN<98118537;16919189;1>MCOMPRN<98118537;98118526;1>| Error messages: WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) Warning converting TDT: $RXNID<92>ISM<"[Br][P-2:2]([52Cr+:1]([C:6]#[O:12])([C:7]#[O:13])([C:5]#[O:11])([C:3]#[O:9])[C:4]#[O:10])[52Cr+:8]([C:16]#[O:21])([C:14]#[O:19])([C:18]#[O:23])([C:17]#[O:22])[C:15]#[O:20].[LiH+].[O:25]#[C:24][184W:26]1234([C]#[O])([C:27]#[O:33])[CH-:28]5[CH:31]2=[CH:30]3[CH:29]4=[CH:32]51.[Br][P-2]([52Cr+:34]([C:38]#[O:44])([C:39]#[O:45])([C:37]#[O:43])([C:35]#[O:41])[C:36]#[O:42])[52Cr+:40]([C:48]#[O:53])([C:46]#[O:51])([C:50]#[O:55])([C:49]#[O:54])[C:47]#[O:52].[LiH+].[O]#[C][184W]1234([C]#[O])([C]#[O])[CH-]5[CH]2=[CH]3[CH]4=[CH]51>[CH2]1[CH2][CH2][O][CH2]1>[O:23]#[C:18][52Cr:8]([C:14]#[O:19])([C:17]#[O:22])([C:16]#[O:21])([C:15]#[O:20])[P-3:2]1[52Cr:1]([C:5]#[O:11])([C:4]#[O:10])([C:3]#[O:9])([C:6]#[O:12])([C:7]#[O:13])[184W+4:26]21345([C:24]#[O:25])([C:27]#[O:33])[CH-:30]6[CH:32]3=[CH:28]4[CH:29]5=[CH:31]62.[Li+]([O]1[CH2][CH2][CH2][CH2]1)[O]2[CH2][CH2][CH2][CH2]2.[O:55]#[C:50][52Cr:40]([C:49]#[O:54])([C:48]#[O:53])([C:47]#[O:52])([C:46]#[O:51])[121Sb]([52Cr:34]([C:39]#[O:45])([C:38]#[O:44])([C:37]#[O:43])([C:36]#[O:42])[C:35]#[O:41])[184W-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]">CAN<103:123638>NUM<0001>SEQ<0001>COMPRN<87869441,12107367,12107367,87869441,12107367,12107367,109999,98182775,45955611,98182720>ROLESTAGE<0;12107367;2;reactant>STAGE<0;87869441;2;reactant>STAGE<0;109999;1;solvent>STAGE<0;98182731;1;product>STAGE<0;98182775;1;product>MCOMPRN<98182731;45955611;1>MCOMPRN<98182731;98182720;1>| Error messages: WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 257 (normal 3) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Error converting TDT: $RXNID<93>ISM<"[LiH+].[O:2]#[C:1][98Mo:3]1234([C]#[O])([C:4]#[O:10])[CH-:5]5[CH:8]2=[CH:7]3[CH:6]4=[CH:9]51.[ClH255][AsH255-2:12]([PH255](=[cH255]1[cH][cH][cH][cH][cH]1)([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3)([184W+:11]([C:14]#[O:20])([C:15]#[O:21])([C:13]#[O:19])([C:17]#[O:23])[C:16]#[O:22])[184W+:18]([C:28]#[O:33])([C:27]#[O:32])([C:24]#[O:29])([C:25]#[O:30])[C:26]#[O:31]>[CH2]1[CH2][CH2][O][CH2]1>[O:33]#[C:28][184W:18]([C:24]#[O:29])([C:27]#[O:32])([C:26]#[O:31])([C:25]#[O:30])[As-3:12]1[184W+4:11]([C:15]#[O:21])([C:14]#[O:20])([C:13]#[O:19])([C:16]#[O:22])([C:17]#[O:23])[98Mo:3]21345([C:1]#[O:2])([C:4]#[O:10])[CH-:5]6[CH:9]3=[CH:6]4[CH:7]5=[CH:8]62">CAN<103:123638>NUM<0002>SEQ<0001>COMPRN<12107356,12107356,98150426,109999,98150722>ROLESTAGE<0;12107356;1;reactant>STAGE<0;98150426;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;98150722;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) (Error buffer overflow) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Error converting TDT: $RXNID<94>ISM<"[LiH+].[O:2]#[C:1][184W:3]1234([C]#[O])([C:4]#[O:10])[CH-:5]5[CH:8]2=[CH:7]3[CH:6]4=[CH:9]51.[ClH255][AsH255-2:12]([PH255](=[cH255]1[cH][cH][cH][cH][cH]1)([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3)([184W+:11]([C:14]#[O:20])([C:15]#[O:21])([C:13]#[O:19])([C:17]#[O:23])[C:16]#[O:22])[184W+:18]([C:28]#[O:33])([C:27]#[O:32])([C:24]#[O:29])([C:25]#[O:30])[C:26]#[O:31]>[CH2]1[CH2][CH2][O][CH2]1>[O:33]#[C:28][184W:18]([C:24]#[O:29])([C:27]#[O:32])([C:26]#[O:31])([C:25]#[O:30])[As-3:12]1[184W:11]([C:15]#[O:21])([C:14]#[O:20])([C:13]#[O:19])([C:16]#[O:22])([C:17]#[O:23])[184W+4:3]21345([C:1]#[O:2])([C:4]#[O:10])[CH-:5]6[CH:9]3=[CH:6]4[CH:7]5=[CH:8]62">CAN<103:123638>NUM<0003>SEQ<0001>COMPRN<12107367,12107367,98150426,109999,98150733>ROLESTAGE<0;12107367;1;reactant>STAGE<0;98150426;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;98150733;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 260 (normal 5) (dy_rmbord) WARNING: Atom has high valence 259 (normal 4) (dy_rmbord) WARNING: Atom is not usually aromatic (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) ERROR: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 260 (normal 5) (dy_rmbord) WARNING: Atom has high valence 259 (normal 4) (dy_rmbord) WARNING: Atom is not usually aromatic (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high (dy_thor_standard_id) Warning converting TDT: $RXNID<95>ISM<"[LiH+].[O:2]#[C:1][98Mo:3]1234([C]#[O])([C:4]#[O:10])[CH-:5]5[CH:8]2=[CH:7]3[CH:6]4=[CH:9]51.[Cl][As-2:11]([52Cr:12]([C:18]#[O:30])([C:14]#[O:26])([C:15]#[O:27])([C:16]#[O:28])[C:17]#[O:29])[Mn+3:13]1234([C:19]#[O:31])([C:20]#[O:32])[CH-:23]5[CH:25]2=[CH:21]3[CH:22]4=[CH:24]51>[CH2]1[CH2][CH2][O][CH2]1>[O:30]#[C:18][52Cr:12]1([C:17]#[O:29])([C:16]#[O:28])([C:15]#[O:27])([C:14]#[O:26])[As-3:11]([Mn:13]2345([C:19]#[O:31])([C:20]#[O:32])[CH-:23]6[CH:25]3=[CH:21]4[CH:22]5=[CH:24]62)[98Mo+5:3]789%101([C:1]#[O:2])([C:4]#[O:10])[CH-:5]%11[CH:9]8=[CH:6]9[CH:7]%10=[CH:8]%117">CAN<103:123638>NUM<0004>SEQ<0001>COMPRN<12107356,12107356,84133608,109999,98150744>ROLESTAGE<0;12107356;1;reactant>STAGE<0;84133608;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;98150744;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<96>ISM<"[LiH+].[O:7]#[C:2][Mn-:1]([C:3]#[O:8])([C:4]#[O:9])([C:5]#[O:10])[C:6]#[O:11].[Cl][As-2:13]([52Cr+:12]([C:17]#[O:23])([C:18]#[O:24])([C:16]#[O:22])([C:14]#[O:20])[C:15]#[O:21])[52Cr+:19]([C:27]#[O:32])([C:25]#[O:30])([C:29]#[O:34])([C:28]#[O:33])[C:26]#[O:31]>[CH2]1[CH2][CH2][O][CH2]1>[O:34]#[C:29][52Cr+:19]([C:28]#[O:33])([C:27]#[O:32])([C:26]#[O:31])([C:25]#[O:30])[As-3:13]([52Cr+:12]([C:18]#[O:24])([C:17]#[O:23])([C:16]#[O:22])([C:15]#[O:21])[C:14]#[O:20])[Mn+:1]([C:5]#[O:10])([C:4]#[O:9])([C:3]#[O:8])([C:6]#[O:11])[C:2]#[O:7]">CAN<103:123638>NUM<0005>SEQ<0001>COMPRN<13859411,13859411,77009122,109999,98212590>ROLESTAGE<0;13859411;1;reactant>STAGE<0;77009122;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;98212590;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<97>ISM<"[O:27]#[C:13][52Cr+:3]([C:12]#[O:26])([C:11]#[O:25])([C:10]#[O:24])([C:9]#[O:23])[As-3:1]([52Cr+:2]([C:8]#[O:22])([C:7]#[O:21])([C:6]#[O:20])([C:5]#[O:19])[C]#[O])[Mn+:4]([C:17]#[O:31])([C:16]#[O:30])([C:15]#[O:29])([C:18]#[O:32])[C:14]#[O:28]>[CH3][c]1[cH][cH][cH][cH][cH]1>[O:23]=[C-2:9]1[52Cr:2]2([C:7]#[O:21])([C:6]#[O:20])([C:8]#[O:22])([C:5]#[O:19])[As-3:1]([Mn+5:4]([C:18]#[O:32])([C:17]#[O:31])([C:15]#[O:29])([C:16]#[O:30])[C:14]#[O:28])[52Cr:3]12([C:11]#[O:25])([C:12]#[O:26])([C:13]#[O:27])[C:10]#[O:24]">CAN<103:123638>NUM<0006>SEQ<0001>COMPRN<98212590,108883,98150391>ROLESTAGE<0;98212590;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;98150391;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<98>ISM<"[CH3:35][C-:9]1([CH:10]2=[CH:13]3[CH:12]4=[CH:11]15)[Mn:3]3425([C:8]#[O:34])([C:7]#[O:33])[As-:1]([As-:2]([Mn:5]6789([C:20]#[O:38])([C]#[O])[CH:24]%10=[CH:23]7[C-:21]9([CH3:39])[CH:22]8=[CH:25]%106)[Mn+6:6]%11%12%13%14([C:26]#[O:40])([C:27]#[O:41])[CH:32]%15=[CH:29]%12[C-:28]%14([CH3:42])[CH:30]%13=[CH:31]%15%11)[Mn:4]%16%17%18%19([C]#[O])([C:14]#[O:36])[CH:19]%20=[CH:16]%17[C-:15]%19([CH3:37])[CH:17]%18=[CH:18]%20%16>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:42][C-:28]1([CH:29]2=[CH:32]3[CH:31]4=[CH:30]15)[Mn:6]3425([C:27]#[O:41])([C:26]#[O:40])[As-3:2]6[Mn:4]789%10%11([C:14]#[O:36])([As-3:1]([Mn:3]%12%13%14%15([C:8]#[O:34])([C:7]#[O:33])[CH:13]%16=[CH:10]%13[C-:9]%15([CH3:35])[CH:11]%14=[CH:12]%16%12)[MnH+10:5]6%17%18%19%207([C:20]#[O:38])[CH:24]%21=[CH:23]%18[C-:21]%20([CH3:39])[CH:22]%19=[CH:25]%21%17)[CH:19]%22=[CH:16]9[C-:15]%11([CH3:37])[CH:17]%10=[CH:18]%228">CAN<103:123638>NUM<0007>SEQ<0001>COMPRN<98150766,108883,98150755>ROLESTAGE<0;98150766;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;98150755;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<99>ISM<"[LiH+].[O:7]#[C:2][Mn-:1]([C:3]#[O:8])([C:4]#[O:9])([C:5]#[O:10])[C:6]#[O:11].[Cl][121Sb:13]([52Cr:12]([C:17]#[O:23])([C:18]#[O:24])([C:16]#[O:22])([C:14]#[O:20])[C:15]#[O:21])[52Cr:19]([C:27]#[O:32])([C:25]#[O:30])([C:29]#[O:34])([C:28]#[O:33])[C:26]#[O:31]>[CH3][c]1[cH][cH][cH][cH][cH]1>[O:34]#[C:29][52Cr:19]([C:28]#[O:33])([C:27]#[O:32])([C:26]#[O:31])([C:25]#[O:30])[121Sb:13]([52Cr:12]([C:18]#[O:24])([C:17]#[O:23])([C:16]#[O:22])([C:15]#[O:21])[C:14]#[O:20])[Mn:1]([C:5]#[O:10])([C:4]#[O:9])([C:3]#[O:8])([C:6]#[O:11])[C:2]#[O:7]">CAN<103:123638>NUM<0008>SEQ<0001>COMPRN<13859411,13859411,89928507,108883,98212374>ROLESTAGE<0;13859411;1;reactant>STAGE<0;89928507;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;98212374;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<100>ISM<"[LiH+].[O:2]#[C:1][98Mo:3]1234([C:4]#[O:11])([C:5]#[O:12])[CH-:6]5[CH:9]2=[CH:8]3[CH:7]4=[CH:10]51.[Cl][121Sb:14]([52Cr:13]([C:18]#[O:24])([C:19]#[O:25])([C:17]#[O:23])([C:15]#[O:21])[C:16]#[O:22])[52Cr:20]([C:28]#[O:33])([C:26]#[O:31])([C:30]#[O:35])([C:29]#[O:34])[C:27]#[O:32]>[CH3][c]1[cH][cH][cH][cH][cH]1>[O:25]#[C:19][52Cr:13]([C:18]#[O:24])([C:17]#[O:23])([C:16]#[O:22])([C:15]#[O:21])[121Sb:14]([52Cr:20]([C:30]#[O:35])([C:26]#[O:31])([C:27]#[O:32])([C:28]#[O:33])[C:29]#[O:34])[98Mo+:3]1234([C:4]#[O:11])([C:1]#[O:2])([C:5]#[O:12])[CH-:6]5[CH:10]2=[CH:7]3[CH:8]4=[CH:9]51">CAN<103:123638>NUM<0009>SEQ<0001>COMPRN<12107356,12107356,89928507,108883,98182786>ROLESTAGE<0;12107356;1;reactant>STAGE<0;89928507;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;98182786;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<101>ISM<"[Cl][121Sb:2]([52Cr:1]([C:6]#[O:12])([C:7]#[O:13])([C:5]#[O:11])([C:3]#[O:9])[C:4]#[O:10])[52Cr:8]([C:16]#[O:21])([C:14]#[O:19])([C:18]#[O:23])([C:17]#[O:22])[C:15]#[O:20].[LiH+].[O]#[C][52Cr-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[52Cr-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[Cl][CH2][Cl]>[Li+]([O]1[CH2][CH2][CH2][CH2]1)[O]2[CH2][CH2][CH2][CH2]2.[O:23]#[C:18][52Cr:8]([C:17]#[O:22])([C:16]#[O:21])([C:15]#[O:20])([C:14]#[O:19])[121Sb:2]([52Cr:1]([C:7]#[O:13])([C:6]#[O:12])([C:5]#[O:11])([C:4]#[O:10])[C:3]#[O:9])[52Cr-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]">CAN<103:123638>NUM<0010>SEQ<0001>COMPRN<89928507,15616678,15616678,75092,45955611,98182684>ROLESTAGE<0;15616678;1;reactant>STAGE<0;89928507;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98182695;1;product>MCOMPRN<98182695;45955611;1>MCOMPRN<98182695;98182684;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<102>ISM<"[Cl][121Sb:2]([52Cr:1]([C:6]#[O:12])([C:7]#[O:13])([C:5]#[O:11])([C:3]#[O:9])[C:4]#[O:10])[52Cr:8]([C:16]#[O:21])([C:14]#[O:19])([C:18]#[O:23])([C:17]#[O:22])[C:15]#[O:20].[LiH+].[O]#[C][98Mo-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[98Mo-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[Cl][CH2][Cl]>[Li+]([O]1[CH2][CH2][CH2][CH2]1)[O]2[CH2][CH2][CH2][CH2]2.[O:23]#[C:18][52Cr:8]([C:17]#[O:22])([C:16]#[O:21])([C:15]#[O:20])([C:14]#[O:19])[121Sb:2]([52Cr:1]([C:7]#[O:13])([C:6]#[O:12])([C:5]#[O:11])([C:4]#[O:10])[C:3]#[O:9])[98Mo-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]">CAN<103:123638>NUM<0011>SEQ<0001>COMPRN<89928507,15616689,15616689,75092,45955611,98182708>ROLESTAGE<0;15616689;1;reactant>STAGE<0;89928507;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98182719;1;product>MCOMPRN<98182719;45955611;1>MCOMPRN<98182719;98182708;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) (Error buffer overflow) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<103>ISM<"[Cl][121Sb]([52Cr]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O])[52Cr]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[LiH+].[O]#[C][184W-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[184W-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[Cl][CH2][Cl]>>[Li+]([O]1[CH2][CH2][CH2][CH2]1)[O]2[CH2][CH2][CH2][CH2]2.[O]#[C][52Cr]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[121Sb]([52Cr]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O])[184W-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]">CAN<103:123638>NUM<0012>SEQ<0001>COMPRN<89928507,15616703,15616703,75092,45955611,98182720>ROLESTAGE<0;75092;1;reactant>STAGE<0;15616703;1;reactant>STAGE<0;89928507;1;reactant>STAGE<0;98182731;1;product>MCOMPRN<98182731;45955611;1>MCOMPRN<98182731;98182720;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) (Error buffer overflow) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<104>ISM<"[LiH+].[O:22]#[C:12][184W-:2]([C:10]#[O:20])([C:11]#[O:21])([C:9]#[O:19])([C:8]#[O:18])[184W-:1]([C:3]#[O:13])([C:4]#[O:14])([C:5]#[O:15])([C:6]#[O:16])[C:7]#[O:17].[LiH+].[O]#[C][184W-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[184W-:23]([C:24]#[O:29])([C:25]#[O:30])([C:26]#[O:31])([C:27]#[O:32])[C:28]#[O:33]>[Cl][Ge]([Cl])([Cl])[Cl].[CH3][c]1[cH][cH][cH][cH][cH]1>[O:32]#[C:27][184W:23]([C:26]#[O:31])([C:28]#[O:33])([C:24]#[O:29])([C:25]#[O:30])[Ge]1[184W:2]([C:11]#[O:21])([C:10]#[O:20])([C:9]#[O:19])([C:8]#[O:18])([C:12]#[O:22])[184W:1]1([C:3]#[O:13])([C:4]#[O:14])([C:5]#[O:15])([C:6]#[O:16])[C:7]#[O:17]">CAN<103:123638>NUM<0013>SEQ<0001>COMPRN<15616703,15616703,15616703,15616703,10038989,108883,98150404>ROLESTAGE<0;15616703;2;reactant>STAGE<0;10038989;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;98150404;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) (Error buffer overflow) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<105>ISM<"[LiH+].[O:22]#[C:12][184W-:2]([C:10]#[O:20])([C:11]#[O:21])([C:9]#[O:19])([C:8]#[O:18])[184W-:1]([C:3]#[O:13])([C:4]#[O:14])([C:5]#[O:15])([C:6]#[O:16])[C:7]#[O:17].[LiH+].[O]#[C][184W-]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[184W-:23]([C:24]#[O:29])([C:25]#[O:30])([C:26]#[O:31])([C:27]#[O:32])[C:28]#[O:33]>[Cl][120Sn]([Cl])([Cl])[Cl].[CH3][c]1[cH][cH][cH][cH][cH]1>[O:32]#[C:27][184W:23](=[120Sn]1[184W:2]([C:11]#[O:21])([C:10]#[O:20])([C:9]#[O:19])([C:8]#[O:18])([C:12]#[O:22])[184W:1]1([C:3]#[O:13])([C:4]#[O:14])([C:5]#[O:15])([C:6]#[O:16])[C:7]#[O:17])([C:26]#[O:31])([C:28]#[O:33])([C:24]#[O:29])[C:25]#[O:30]">CAN<103:123638>NUM<0014>SEQ<0001>COMPRN<15616703,15616703,15616703,15616703,7646788,108883,96427235>ROLESTAGE<0;15616703;2;reactant>STAGE<0;7646788;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;96427235;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) (Error buffer overflow) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<106>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:11][CH2:8][SiH:7]([CH2:9][CH3:12])[CH2:10][CH3:13]>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][52Cr]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:11][CH2:8][Si:7]([CH2:9][CH3:12])([CH2:10][CH3:13])[CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3]">CAN<103:123637>NUM<0010>SEQ<0001>COMPRN<513815,617867,76374908,64545126>ROLESTAGE<0;513815;1;reactant>STAGE<0;617867;1;reactant>STAGE<0;76374908;1;catalyst>STAGE<0;64545126;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<107>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:11][CH2:8][SiH:7]([CH2:9][CH3:12])[CH2:10][CH3:13]>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:11][CH2:8][Si:7]([CH2:9][CH3:12])([CH2:10][CH3:13])[CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3]">CAN<103:123637>NUM<0010>SEQ<0002>COMPRN<513815,617867,76374919,64545126>ROLESTAGE<0;513815;1;reactant>STAGE<0;617867;1;reactant>STAGE<0;76374919;1;catalyst>STAGE<0;64545126;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<108>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:14][CH2:11][O:8][SiH:7]([O:9][CH2:12][CH3:15])[O:10][CH2:13][CH3:16]>[O]#[C][52Cr]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:16][CH2:13][O:10][Si:7]([CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3])([O:9][CH2:12][CH3:15])[O:8][CH2:11][CH3:14]">CAN<103:123637>NUM<0011>SEQ<0001>COMPRN<513815,998301,13007926,63424044>ROLESTAGE<0;513815;1;reactant>STAGE<0;998301;1;reactant>STAGE<0;13007926;1;catalyst>STAGE<0;63424044;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<109>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:14][CH2:11][O:8][SiH:7]([O:9][CH2:12][CH3:15])[O:10][CH2:13][CH3:16]>[O]#[C][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:16][CH2:13][O:10][Si:7]([CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3])([O:9][CH2:12][CH3:15])[O:8][CH2:11][CH3:14]">CAN<103:123637>NUM<0011>SEQ<0002>COMPRN<513815,998301,13939065,63424044>ROLESTAGE<0;513815;1;reactant>STAGE<0;998301;1;reactant>STAGE<0;13939065;1;catalyst>STAGE<0;63424044;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<110>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:14][CH2:11][O:8][SiH:7]([O:9][CH2:12][CH3:15])[O:10][CH2:13][CH3:16]>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:16][CH2:13][O:10][Si:7]([CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3])([O:9][CH2:12][CH3:15])[O:8][CH2:11][CH3:14]">CAN<103:123637>NUM<0011>SEQ<0003>COMPRN<513815,998301,76374919,63424044>ROLESTAGE<0;513815;1;reactant>STAGE<0;998301;1;reactant>STAGE<0;76374919;1;catalyst>STAGE<0;63424044;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<111>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:14][CH2:11][O:8][SiH:7]([O:9][CH2:12][CH3:15])[O:10][CH2:13][CH3:16]>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C-]#[N+][c]2[c]([CH3])[cH][cH][cH][c]2[CH3]>[CH3:16][CH2:13][O:10][Si:7]([CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3])([O:9][CH2:12][CH3:15])[O:8][CH2:11][CH3:14]">CAN<103:123637>NUM<0011>SEQ<0004>COMPRN<513815,998301,76420081,63424044>ROLESTAGE<0;513815;1;reactant>STAGE<0;998301;1;reactant>STAGE<0;76420081;1;catalyst>STAGE<0;63424044;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<112>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:14][CH2:11][O:8][SiH:7]([O:9][CH2:12][CH3:15])[O:10][CH2:13][CH3:16]>[O]#[C][184W]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:16][CH2:13][O:10][Si:7]([CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3])([O:9][CH2:12][CH3:15])[O:8][CH2:11][CH3:14]">CAN<103:123637>NUM<0011>SEQ<0005>COMPRN<513815,998301,14040110,63424044>ROLESTAGE<0;513815;1;reactant>STAGE<0;998301;1;reactant>STAGE<0;14040110;1;catalyst>STAGE<0;63424044;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<113>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:8][SiH:7]([CH3:9])[c:10]1[cH:11][cH:13][cH:15][cH:14][cH:12]1>[O]#[C][52Cr]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:5][C:2](=[C:1]([CH3:3])[CH2:4][Si:7]([CH3:8])([CH3:9])[c:10]1[cH:12][cH:14][cH:15][cH:13][cH:11]1)[CH3:6]">CAN<103:123637>NUM<0012>SEQ<0001>COMPRN<513815,766778,13007926,98242252>ROLESTAGE<0;513815;1;reactant>STAGE<0;766778;1;reactant>STAGE<0;13007926;1;catalyst>STAGE<0;98242252;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<114>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:8][SiH:7]([CH3:9])[c:10]1[cH:11][cH:13][cH:15][cH:14][cH:12]1>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][52Cr]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:5][C:2](=[C:1]([CH3:3])[CH2:4][Si:7]([CH3:8])([CH3:9])[c:10]1[cH:12][cH:14][cH:15][cH:13][cH:11]1)[CH3:6]">CAN<103:123637>NUM<0012>SEQ<0002>COMPRN<513815,766778,76374908,98242252>ROLESTAGE<0;513815;1;reactant>STAGE<0;766778;1;reactant>STAGE<0;76374908;1;catalyst>STAGE<0;98242252;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<115>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:8][SiH:7]([CH3:9])[c:10]1[cH:11][cH:13][cH:15][cH:14][cH:12]1>[O]#[C][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:5][C:2](=[C:1]([CH3:3])[CH2:4][Si:7]([CH3:8])([CH3:9])[c:10]1[cH:12][cH:14][cH:15][cH:13][cH:11]1)[CH3:6]">CAN<103:123637>NUM<0012>SEQ<0003>COMPRN<513815,766778,13939065,98242252>ROLESTAGE<0;513815;1;reactant>STAGE<0;766778;1;reactant>STAGE<0;13939065;1;catalyst>STAGE<0;98242252;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<116>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:8][SiH:7]([CH3:9])[c:10]1[cH:11][cH:13][cH:15][cH:14][cH:12]1>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:5][C:2](=[C:1]([CH3:3])[CH2:4][Si:7]([CH3:8])([CH3:9])[c:10]1[cH:12][cH:14][cH:15][cH:13][cH:11]1)[CH3:6]">CAN<103:123637>NUM<0012>SEQ<0004>COMPRN<513815,766778,76374919,98242252>ROLESTAGE<0;513815;1;reactant>STAGE<0;766778;1;reactant>STAGE<0;76374919;1;catalyst>STAGE<0;98242252;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<117>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:8][SiH:7]([CH3:9])[c:10]1[cH:11][cH:13][cH:15][cH:14][cH:12]1>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C-]#[N+][c]2[c]([CH3])[cH][cH][cH][c]2[CH3]>[CH3:5][C:2](=[C:1]([CH3:3])[CH2:4][Si:7]([CH3:8])([CH3:9])[c:10]1[cH:12][cH:14][cH:15][cH:13][cH:11]1)[CH3:6]">CAN<103:123637>NUM<0012>SEQ<0005>COMPRN<513815,766778,76420081,98242252>ROLESTAGE<0;513815;1;reactant>STAGE<0;766778;1;reactant>STAGE<0;76420081;1;catalyst>STAGE<0;98242252;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<118>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:8][SiH:7]([CH3:9])[c:10]1[cH:11][cH:13][cH:15][cH:14][cH:12]1>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][184W]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:5][C:2](=[C:1]([CH3:3])[CH2:4][Si:7]([CH3:8])([CH3:9])[c:10]1[cH:12][cH:14][cH:15][cH:13][cH:11]1)[CH3:6]">CAN<103:123637>NUM<0012>SEQ<0006>COMPRN<513815,766778,76374920,98242252>ROLESTAGE<0;513815;1;reactant>STAGE<0;766778;1;reactant>STAGE<0;76374920;1;catalyst>STAGE<0;98242252;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<119>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:9][C:7](=[CH2:10])[C:8](=[CH2:12])[CH3:11].[CH3:17][CH2:14][SiH:13]([CH2:15][CH3:18])[CH2:16][CH3:19].[CH3:24][CH2:21][SiH:20]([CH2:22][CH3:25])[CH2:23][CH3:26]>[O]#[C][52Cr]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:17][CH2:14][Si:13]([CH2:15][CH3:18])([CH2:16][CH3:19])[CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3].[CH3:24][CH2:21][Si:20]([CH2:22][CH3:25])([CH2:23][CH3:26])[CH2:10][CH:7]([CH3:9])[C:8](=[CH2:12])[CH3:11]">CAN<103:123637>NUM<0013>SEQ<0001>COMPRN<513815,513815,617867,617867,13007926,64545126,64578207>ROLESTAGE<0;513815;2;reactant>STAGE<0;617867;2;reactant>STAGE<0;13007926;1;catalyst>STAGE<0;64545126;1;product>STAGE<0;64578207;1;product>NOTES<"the 1,4-adduct was the major product">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<120>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:9][C:7](=[CH2:10])[C:8](=[CH2:12])[CH3:11].[CH3:17][CH2:14][SiH:13]([CH2:15][CH3:18])[CH2:16][CH3:19].[CH3:24][CH2:21][SiH:20]([CH2:22][CH3:25])[CH2:23][CH3:26]>[O]#[C][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:17][CH2:14][Si:13]([CH2:15][CH3:18])([CH2:16][CH3:19])[CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3].[CH3:24][CH2:21][Si:20]([CH2:22][CH3:25])([CH2:23][CH3:26])[CH2:10][CH:7]([CH3:9])[C:8](=[CH2:12])[CH3:11]">CAN<103:123637>NUM<0013>SEQ<0002>COMPRN<513815,513815,617867,617867,13939065,64545126,64578207>ROLESTAGE<0;513815;2;reactant>STAGE<0;617867;2;reactant>STAGE<0;13939065;1;catalyst>STAGE<0;64545126;1;product>STAGE<0;64578207;1;product>NOTES<"the 1,4-adduct was the major product">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<121>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:9][C:7](=[CH2:10])[C:8](=[CH2:12])[CH3:11].[CH3:17][CH2:14][SiH:13]([CH2:15][CH3:18])[CH2:16][CH3:19].[CH3:24][CH2:21][SiH:20]([CH2:22][CH3:25])[CH2:23][CH3:26]>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C-]#[N+][c]2[c]([CH3])[cH][cH][cH][c]2[CH3]>[CH3:17][CH2:14][Si:13]([CH2:15][CH3:18])([CH2:16][CH3:19])[CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3].[CH3:24][CH2:21][Si:20]([CH2:22][CH3:25])([CH2:23][CH3:26])[CH2:10][CH:7]([CH3:9])[C:8](=[CH2:12])[CH3:11]">CAN<103:123637>NUM<0013>SEQ<0003>COMPRN<513815,513815,617867,617867,76420081,64545126,64578207>ROLESTAGE<0;513815;2;reactant>STAGE<0;617867;2;reactant>STAGE<0;76420081;1;catalyst>STAGE<0;64545126;1;product>STAGE<0;64578207;1;product>NOTES<"the 1,4-adduct was the major product">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<122>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:9][C:7](=[CH2:10])[C:8](=[CH2:12])[CH3:11].[CH3:17][CH2:14][SiH:13]([CH2:15][CH3:18])[CH2:16][CH3:19].[CH3:24][CH2:21][SiH:20]([CH2:22][CH3:25])[CH2:23][CH3:26]>[O]#[C][184W]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:17][CH2:14][Si:13]([CH2:15][CH3:18])([CH2:16][CH3:19])[CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3].[CH3:24][CH2:21][Si:20]([CH2:22][CH3:25])([CH2:23][CH3:26])[CH2:10][CH:7]([CH3:9])[C:8](=[CH2:12])[CH3:11]">CAN<103:123637>NUM<0013>SEQ<0004>COMPRN<513815,513815,617867,617867,14040110,64545126,64578207>ROLESTAGE<0;513815;2;reactant>STAGE<0;617867;2;reactant>STAGE<0;14040110;1;catalyst>STAGE<0;64545126;1;product>STAGE<0;64578207;1;product>NOTES<"the 1,4-adduct was the major product">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<123>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:9][C:7](=[CH2:10])[C:8](=[CH2:12])[CH3:11].[CH3:17][CH2:14][SiH:13]([CH2:15][CH3:18])[CH2:16][CH3:19].[CH3:24][CH2:21][SiH:20]([CH2:22][CH3:25])[CH2:23][CH3:26]>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][184W]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:17][CH2:14][Si:13]([CH2:15][CH3:18])([CH2:16][CH3:19])[CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3].[CH3:24][CH2:21][Si:20]([CH2:22][CH3:25])([CH2:23][CH3:26])[CH2:10][CH:7]([CH3:9])[C:8](=[CH2:12])[CH3:11]">CAN<103:123637>NUM<0013>SEQ<0005>COMPRN<513815,513815,617867,617867,76374920,64545126,64578207>ROLESTAGE<0;513815;2;reactant>STAGE<0;617867;2;reactant>STAGE<0;76374920;1;catalyst>STAGE<0;64545126;1;product>STAGE<0;64578207;1;product>NOTES<"the 1,4-adduct was the major product">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<124>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:9][C:7](=[CH2:10])[C:8](=[CH2:12])[CH3:11].[CH3:20][CH2:17][O:14][SiH:13]([O:15][CH2:18][CH3:21])[O:16][CH2:19][CH3:22].[CH3:30][CH2:27][O:24][SiH:23]([O:25][CH2:28][CH3:31])[O:26][CH2:29][CH3:32]>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][52Cr]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:22][CH2:19][O:16][Si:13]([CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3])([O:15][CH2:18][CH3:21])[O:14][CH2:17][CH3:20].[CH3:32][CH2:29][O:26][Si:23]([CH2:10][CH:7]([CH3:9])[C:8](=[CH2:12])[CH3:11])([O:25][CH2:28][CH3:31])[O:24][CH2:27][CH3:30]">CAN<103:123637>NUM<0014>SEQ<0001>COMPRN<513815,513815,998301,998301,76374908,63424044,64545115>ROLESTAGE<0;513815;2;reactant>STAGE<0;998301;2;reactant>STAGE<0;76374908;1;catalyst>STAGE<0;63424044;1;product>STAGE<0;64545115;1;product>NOTES<"the 1,4-adduct was the major product">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<125>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:9][C:7](=[CH2:10])[C:8](=[CH2:12])[CH3:11].[CH3:20][CH2:17][O:14][SiH:13]([O:15][CH2:18][CH3:21])[O:16][CH2:19][CH3:22].[CH3:30][CH2:27][O:24][SiH:23]([O:25][CH2:28][CH3:31])[O:26][CH2:29][CH3:32]>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][184W]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:22][CH2:19][O:16][Si:13]([CH2:4][C:1](=[C:2]([CH3:6])[CH3:5])[CH3:3])([O:15][CH2:18][CH3:21])[O:14][CH2:17][CH3:20].[CH3:32][CH2:29][O:26][Si:23]([CH2:10][CH:7]([CH3:9])[C:8](=[CH2:12])[CH3:11])([O:25][CH2:28][CH3:31])[O:24][CH2:27][CH3:30]">CAN<103:123637>NUM<0014>SEQ<0002>COMPRN<513815,513815,998301,998301,76374920,63424044,64545115>ROLESTAGE<0;513815;2;reactant>STAGE<0;998301;2;reactant>STAGE<0;76374920;1;catalyst>STAGE<0;63424044;1;product>STAGE<0;64545115;1;product>NOTES<"the 1,4-adduct was the major product">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<126>ISM<"[CH3:3][C:1](=[CH2:4])[C:2](=[CH2:6])[CH3:5].[CH3:9][C:7](=[CH2:10])[C:8](=[CH2:12])[CH3:11].[CH3:14][SiH:13]([CH3:15])[c:16]1[cH:17][cH:19][cH:21][cH:20][cH:18]1.[CH3:23][SiH:22]([CH3:24])[c:25]1[cH:26][cH:28][cH:30][cH:29][cH:27]1>[O]#[C][184W]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O]>[CH3:9][CH:7]([CH2:10][Si:22]([CH3:23])([CH3:24])[c:25]1[cH:27][cH:29][cH:30][cH:28][cH:26]1)[C:8](=[CH2:12])[CH3:11].[CH3:5][C:2](=[C:1]([CH3:3])[CH2:4][Si:13]([CH3:14])([CH3:15])[c:16]1[cH:18][cH:20][cH:21][cH:19][cH:17]1)[CH3:6]">CAN<103:123637>NUM<0015>SEQ<0001>COMPRN<513815,513815,766778,766778,14040110,98213220,98242252>ROLESTAGE<0;513815;2;reactant>STAGE<0;766778;2;reactant>STAGE<0;14040110;1;catalyst>STAGE<0;98213220;1;product>STAGE<0;98242252;1;product>NOTES<"the 1,4-adduct was the major product">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<127>ISM<"[CH3:6][c:4]1[cH:7][cH:10][cH:9][c:5]([CH3:8])[c:3]1[N+:1]#[C-:2].[CH3:16][c:14]1[cH:17][cH:20][cH:19][c:15]([CH3:18])[c:13]1[N+:11]#[C-:12].[CH3:26][c:24]1[cH:27][cH:30][cH:29][c:25]([CH3:28])[c:23]1[N+:21]#[C-:22].[CH3:36][c:34]1[cH:37][cH:40][cH:39][c:35]([CH3:38])[c:33]1[N+:31]#[C-:32].[CH2]1[CH2][CH]2=[CH]3[CH2][CH2][CH]4=[CH]1[103Rh+:41]5243[Cl-][103Rh+]678([Cl-]5)[CH]9=[CH]7[CH2][CH2][CH]8=[CH]6[CH2][CH2]9>>[Cl-].[CH3:6][c:4]1[cH:7][cH:10][cH:9][c:5]([CH3:8])[c:3]1[N+:1]#[C-:2][103Rh+:41]([C-:32]#[N+:31][c:33]2[c:34]([CH3:36])[cH:37][cH:40][cH:39][c:35]2[CH3:38])([C-:22]#[N+:21][c:23]3[c:24]([CH3:26])[cH:27][cH:30][cH:29][c:25]3[CH3:28])[C-:12]#[N+:11][c:13]4[c:14]([CH3:16])[cH:17][cH:20][cH:19][c:15]4[CH3:18]">CAN<103:123637>NUM<0016>SEQ<0001>COMPRN<2769713,2769713,2769713,2769713,12092476,61754481,61754481>ROLESTAGE<0;2769713;4;reactant>STAGE<0;12092476;1;reactant>STAGE<0;61754481;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<137>ISM<"[CH3:8][CH2:6][CH2:4][CH2:2][C:1]#[C:3][CH2:5][CH2:7][CH3:9].[CH3:17][CH2:15][CH2:13][CH2:11][C:10]#[C:12][CH2:14][CH2:16][CH3:18]>[O]#[C][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[OH][c]1[cH][cH][cH][cH][cH]1.[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:6][CH2:4][CH2:2][C:1]#[C:3][CH2:5][CH2:7][CH3:9].[CH3:8][CH2:18][CH2:16][CH2:14][C:12]#[C:10][CH2:11][CH2:13][CH2:15][CH3:17]">CAN<103:123637>NUM<0049>SEQ<0001>COMPRN<20184912,20184912,13939065,108952,108883,1942456,1942467>ROLESTAGE<0;20184912;2;reactant>STAGE<0;108952;1;catalyst>STAGE<0;13939065;1;catalyst>STAGE<0;108883;1;solvent>STAGE<0;1942456;1;product>STAGE<0;1942467;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<138>ISM<"[CH3:8][CH2:6][CH2:4][CH2:2][C:1]#[C:3][CH2:5][CH2:7][CH3:9].[CH3:17][CH2:15][CH2:13][CH2:11][C:10]#[C:12][CH2:14][CH2:16][CH3:18]>[O]#[C][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[OH][c]1[cH][cH][cH][cH][cH]1.[CH3][c]1[cH][cH][cH][c]([CH3])[cH]1>[CH3:6][CH2:4][CH2:2][C:1]#[C:3][CH2:5][CH2:7][CH3:9].[CH3:8][CH2:18][CH2:16][CH2:14][C:12]#[C:10][CH2:11][CH2:13][CH2:15][CH3:17]">CAN<103:123637>NUM<0049>SEQ<0002>COMPRN<20184912,20184912,13939065,108952,108383,1942456,1942467>ROLESTAGE<0;20184912;2;reactant>STAGE<0;108952;1;catalyst>STAGE<0;13939065;1;catalyst>STAGE<0;108383;1;solvent>STAGE<0;1942456;1;product>STAGE<0;1942467;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<139>ISM<"[CH3:8][CH2:6][CH2:4][CH2:2][C:1]#[C:3][CH2:5][CH2:7][CH3:9].[CH3:17][CH2:15][CH2:13][CH2:11][C:10]#[C:12][CH2:14][CH2:16][CH3:18]>[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N+]#[C-][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O].[OH][c]1[cH][cH][cH][cH][cH]1.[CH3][c]1[cH][cH][cH][c]([CH3])[cH]1>[CH3:6][CH2:4][CH2:2][C:1]#[C:3][CH2:5][CH2:7][CH3:9].[CH3:8][CH2:18][CH2:16][CH2:14][C:12]#[C:10][CH2:11][CH2:13][CH2:15][CH3:17]">CAN<103:123637>NUM<0049>SEQ<0003>COMPRN<20184912,20184912,76374919,108952,108383,1942456,1942467>ROLESTAGE<0;20184912;2;reactant>STAGE<0;108952;1;catalyst>STAGE<0;76374919;1;catalyst>STAGE<0;108383;1;solvent>STAGE<0;1942456;1;product>STAGE<0;1942467;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<140>ISM<"[CH:1]1=[CH:3][CH:5]=[P:6][CH:4]=[CH:2]1.[O:13]#[C:8][98Mo:7]([C]#[O])([C:9]#[O:14])([C:10]#[O:15])([C:11]#[O:16])[C:12]#[O:17]>[CH2]1[CH2][CH2][O][CH2]1>[O:14]#[C:9][98Mo:7]([C:10]#[O:15])([C:8]#[O:13])([C:11]#[O:16])([C:12]#[O:17])[P:6]1=[CH:5][CH:3]=[CH:1][CH:2]=[CH:4]1">CAN<103:123636>NUM<0003>SEQ<0001>COMPRN<289689,13939065,109999,65198245>ROLESTAGE<0;289689;1;reactant>STAGE<0;13939065;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;65198245;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<141>ISM<"[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[CH2:9]1[CH2:12][P:8]([c:14]2[cH:21][cH:29][cH:34][cH:30][cH:22]2)([c:13]3[cH:19][cH:27][cH:33][cH:28][cH:20]3)[103Rh+:6]456([CH]7=[CH]6[CH]8[CH2][CH]7[CH]5=[CH]84)[P:7]1([C:11]9=[C:18]=[CH:26][CH:32]=[CH:25][CH2:17]9)[C:10]%10=[C:16]=[CH:24][CH:31]=[CH:23][CH2:15]%10>[H][H].[CH3][C](=[O])[CH3]>[F-:2][BH2+3:1]([F-:3])([F-:4])[F-:5].[CH3][C](=[O][103Rh+:6]1([O]=[C]([CH3])[CH3])[P:8]([CH2:12][CH2:9][P:7]1([c:11]2[cH:18][cH:26][cH:32][cH:25][cH:17]2)[c:10]3[cH:15][cH:23][cH:31][cH:24][cH:16]3)([c:14]4[cH:22][cH:30][cH:34][cH:29][cH:21]4)[c:13]5[cH:20][cH:28][cH:33][cH:27][cH:19]5)[CH3]">CAN<103:123635>NUM<0008>SEQ<0001>COMPRN<14874705,47768387,1333740,67641,14874705,88821696>ROLESTAGE<0;60430435;1;reactant>STAGE<0;1333740;1;reagent>STAGE<0;67641;1;solvent>STAGE<0;92763310;1;product>MCOMPRN<60430435;14874705;1>MCOMPRN<60430435;47768387;1>MCOMPRN<92763310;14874705;1>MCOMPRN<92763310;88821696;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<142>ISM<"[CH2]1[CH2][CH]2=[CH]3[CH2][CH2][CH]4=[CH]1[103Rh+]5243[Cl-][103Rh+:1]678([Cl-]5)[CH:4]9=[CH:3]7[CH2:7][CH2:9][CH:5]8=[CH:2]6[CH2:6][CH2:8]9.[CH3:40][CH2:38][CH2:36][S:34][CH2:31][CH2:28][C-:16]1([CH:17]2=[CH:24]3[CH:23]4=[CH:18]15)[98Mo+4:12]34625789([S-:10][CH2:11][CH2:13][CH3:25])([S-:14][CH2:26][CH2:29][CH3:32])[CH:21]%10=[CH:20]7[C-:15]9([CH2:27][CH2:30][S:33][CH2:35][CH2:37][CH3:39])[CH:19]8=[CH:22]%106>[Cl][CH2][Cl]>[Cl-].[CH3:40][CH2:38][CH2:36][S:34][CH2:31][CH2:28][C-:16]1([CH:20]2=[CH:22]3[CH:24]4=[CH:19]15)[98Mo+4:12]63472589%10([S-:14]([CH2:26][CH2:29][CH3:32])[103Rh+:1]%11%12%13([S-:10]6[CH2:11][CH2:13][CH3:25])[CH:5]%14=[CH:2]%12[CH2:6][CH2:8][CH:4]%13=[CH:3]%11[CH2:7][CH2:9]%14)[CH:21]%15=[CH:18]8[C-:15]%10([CH2:27][CH2:30][S:33][CH2:35][CH2:37][CH3:39])[CH:17]9=[CH:23]%157">CAN<103:123635>NUM<0010>SEQ<0001>COMPRN<12092476,98162368,75092,98162391,98162391>ROLESTAGE<0;12092476;1;reactant>STAGE<0;98162368;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98162391;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<143>ISM<"[Cl-][195Pt+2:2]([Cl-])([P:6]([c:14]1[cH:25][cH:34][cH:38][cH:33][cH:24]1)([c:13]2[cH:22][cH:31][cH:37][cH:32][cH:23]2)[c:15]3[cH:27][cH:36][cH:39][cH:35][cH:26]3)[P:1]([c:5]4[cH:11][cH:20][cH:30][cH:21][cH:12]4)([c:4]5[cH:10][cH:19][cH:29][cH:18][cH:9]5)[c:3]6[cH:7][cH:16][cH:28][cH:17][cH:8]6.[107AgH+].[F-:41][PH2+5:40]([F-:42])([F-:43])([F-:44])([F-:45])[F-:46].[CH3:77][CH2:75][CH2:73][S:71][CH2:68][CH2:65][C-:53]1([CH:54]2=[CH:61]3[CH:60]4=[CH:55]15)[98Mo+4:49]34625789([S-:47][CH2:48][CH2:50][CH3:62])([S-:51][CH2:63][CH2:66][CH3:69])[CH:58]%10=[CH:57]7[C-:52]9([CH2:64][CH2:67][S:70][CH2:72][CH2:74][CH3:76])[CH:56]8=[CH:59]%106>[CH3][C](=[O])[CH3]>[F-:41][PH2+5:40]([F-:42])([F-:43])([F-:44])([F-:45])[F-:46].[CH3:76][CH2:74][CH2:72][S:70][CH2:67][CH2:64][C-:52]1([CH:54]2=[CH:59]3[CH:58]4=[CH:55]15)[98Mo+3:49]63472589%10([S-:47]([CH2:48][CH2:50][CH3:62])[195Pt+3:2]([S-:51]6[CH2:63][CH2:66][CH3:69])([P:6]([c:15]%11[cH:27][cH:36][cH:39][cH:35][cH:26]%11)([c:14]%12[cH:24][cH:33][cH:38][cH:34][cH:25]%12)[c:13]%13[cH:22][cH:31][cH:37][cH:32][cH:23]%13)[P:1]([c:5]%14[cH:12][cH:21][cH:30][cH:20][cH:11]%14)([c:4]%15[cH:10][cH:19][cH:29][cH:18][cH:9]%15)[c:3]%16[cH:8][cH:17][cH:28][cH:16][cH:7]%16)[CH:60]%17=[CH:57]8[C-:53]%10([CH2:65][CH2:68][S:71][CH2:73][CH2:75][CH3:77])[CH:56]9=[CH:61]%177">CAN<103:123635>NUM<0013>SEQ<0001>COMPRN<10199345,26042637,26042637,98162368,67641,16919189,98162426>ROLESTAGE<1;10199345;1;reactant>STAGE<1;26042637;1;reactant>STAGE<2;98162368;1;reactant>STAGE<1;67641;1;solvent>STAGE<2;98162437;1;product>MCOMPRN<98162437;16919189;1>MCOMPRN<98162437;98162426;1>| Error messages: WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) Warning converting TDT: $RXNID<144>ISM<"[CH2]1[CH2][CH]2=[CH]3[CH2][CH2][CH]4=[CH]1[103Rh+]5243[Cl-][103Rh+:1]678([Cl-]5)[CH:4]9=[CH:3]7[CH2:7][CH2:9][CH:5]8=[CH:2]6[CH2:6][CH2:8]9.[Cl-:10][98Mo+4:11]12345678([Cl-:12])([CH:20]9=[CH:17]3[C-:13]7([CH2:23][CH2:25][S:27][c:29]%10[cH:31][cH:35][cH:39][cH:36][cH:32]%10)[CH:18]4=[CH:19]91)[CH:21]%11=[CH:16]5[C-:14]8([CH2:24][CH2:26][S:28][c:30]%12[cH:34][cH:38][cH:40][cH:37][cH:33]%12)[CH:15]6=[CH:22]%112>[CH3][C](=[O])[CH3]>[Cl-].[Cl-:10][98Mo+4:11]12345678([Cl-:12])([CH:21]9=[CH:16]5[C-:14]%102[CH2:24][CH2:26][S:28]([c:30]%11[cH:34][cH:38][cH:40][cH:37][cH:33]%11)[103Rh+:1]%12%13%14([S:27]([CH2:25][CH2:23][C-:13]%151[CH:17]7=[CH:20]3[CH:19]4=[CH:18]%158)[c:29]%16[cH:31][cH:35][cH:39][cH:36][cH:32]%16)[CH:5]%17=[CH:2]%13[CH2:6][CH2:8][CH:4]%14=[CH:3]%12[CH2:7][CH2:9]%17)[CH:22]9=[CH:15]%106">CAN<103:123635>NUM<0016>SEQ<0001>COMPRN<12092476,86857672,67641,98183654,98183654>ROLESTAGE<0;12092476;1;reactant>STAGE<0;86857672;1;reactant>STAGE<0;67641;1;solvent>STAGE<0;98183654;1;product>| Error messages: WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 8 (normal 5) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 5) (dy_rmbord) Warning converting TDT: $RXNID<145>ISM<"[H-][52Cr+2:3]1234([C:1]#[O:2])([C:4]#[O:11])([C:5]#[O:12])[CH-:6]5[CH:9]2=[CH:8]3[CH:7]4=[CH:10]51.[H-][52Cr+2:15]1234([C:13]#[O:14])([C:16]#[O:23])([C:17]#[O:24])[CH-:18]5[CH:21]2=[CH:20]3[CH:19]4=[CH:22]51>[CH3][CH2][CH2][CH2][CH2][CH2][CH3]>[O:12]#[C:5][52Cr+:3]1234([C:1]#[O:2])([C:4]#[O:11])([CH-:6]5[CH:10]2=[CH:7]3[CH:8]4=[CH:9]51)[52Cr+:15]6789([C:17]#[O:24])([C:16]#[O:23])([C:13]#[O:14])[CH-:18]%10[CH:21]7=[CH:20]8[CH:19]9=[CH:22]%106">CAN<103:123634>NUM<0004>SEQ<0001>COMPRN<36495371,36495371,142825,12194126>ROLESTAGE<0;36495371;2;reactant>STAGE<0;142825;1;solvent>STAGE<0;12194126;1;product>NOTES<"the enthalpy of the reaction was detd.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<146>ISM<"[CH2:1]1[CH2:2][CH:4]=[CH:6][CH:5]=[CH:3]1.[H-][98Mo+2:9]1234([C:7]#[O:8])([C:10]#[O:17])([C:11]#[O:18])[CH-:12]5[CH:15]2=[CH:14]3[CH:13]4=[CH:16]51>[CH3][CH2][CH2][CH2][CH2][CH2][CH3]>[CH2:2]1[CH2:4][CH2:6][CH:5]=[CH:3][CH2:1]1.[O:8]=[C-2:7]1[98Mo+3:9]23456([C:10]#[O:17])([C:11]#[O:18])([CH-:12]7[CH:16]3=[CH:13]4[CH:14]5=[CH:15]72)[C-2](=[O])[98Mo+3]89%10%1116([C]#[O])([C]#[O])[CH-]%12[CH]9=[CH]%10[CH]%11=[CH]%128">CAN<103:123634>NUM<0005>SEQ<0001>COMPRN<592574,12176066,142825,110838,60974858>ROLESTAGE<0;592574;1;reactant>STAGE<0;12176066;1;reactant>STAGE<0;142825;1;solvent>STAGE<0;110838;1;product>STAGE<0;60974858;1;product>NOTES<"the enthalpy of the reaction was detd.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<147>ISM<"[H-][184W+2]1234([C]#[O])([C]#[O])([C]#[O])[CH-]5[CH]2=[CH]3[CH]4=[CH]51.[CH2]1[CH2][CH]=[CH][CH]=[CH]1.[H-][184W+2]1234([C]#[O])([C]#[O])([C]#[O])[CH-]5[CH]2=[CH]3[CH]4=[CH]51.[CH2]1[CH2][CH]=[CH][CH]=[CH]1>[CH3][CH2][CH2][CH2][CH2][CH2][CH3]>[O]#[C][184W+]1234([C]#[O])([C]#[O])([CH-]5[CH]2=[CH]3[CH]4=[CH]51)[184W+]6789([C]#[O])([C]#[O])([C]#[O])[CH-]%10[CH]7=[CH]8[CH]9=[CH]%106.[O]=[C-2]1[98Mo+3]23456([C]#[O])([C]#[O])([CH-]7[CH]3=[CH]4[CH]5=[CH]72)[C-2](=[O])[98Mo+3]89%10%1116([C]#[O])([C]#[O])[CH-]%12[CH]9=[CH]%10[CH]%11=[CH]%128">CAN<103:123634>NUM<0006>SEQ<0001>COMPRN<12128266,592574,12128266,592574,142825,12091655,60974858>ROLESTAGE<0;592574;2;reactant>STAGE<0;12128266;2;reactant>STAGE<0;142825;1;solvent>STAGE<0;12091655;1;product>STAGE<0;60974858;1;product>NOTES<"the enthalpy of the reaction was detd.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<148>ISM<"[O:12]=[C-2:5]1[98Mo+3:3]23456([C:1]#[O:2])([C:4]#[O:11])([CH-:8]7[CH:10]3=[CH:6]4[CH:7]5=[CH:9]72)[C-2](=[O])[98Mo+3]89%10%1116([C]#[O])([C]#[O])[CH-]%12[CH]9=[CH]%10[CH]%11=[CH]%128>[127I][127I].[Cl][CH2][Cl]>[127I-][98Mo+2:3]1234([C:5]#[O:12])([C:1]#[O:2])([C:4]#[O:11])[CH-:8]5[CH:9]2=[CH:7]3[CH:6]4=[CH:10]51">CAN<103:123634>NUM<0009>SEQ<0001>COMPRN<60974858,7553562,75092,12287615>ROLESTAGE<0;60974858;1;reactant>STAGE<0;7553562;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;12287615;1;product>NOTES<"the enthalpy of iodination was detd.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<149>ISM<"[H-][98Mo+2:3]1234([C:1]#[O:2])([C:4]#[O:11])([C:5]#[O:12])[CH-:6]5[CH:9]2=[CH:8]3[CH:7]4=[CH:10]51>[127I][127I].[Cl][CH2][Cl]>[127I-][98Mo+2:3]1234([C:1]#[O:2])([C:4]#[O:11])([C:5]#[O:12])[CH-:6]5[CH:9]2=[CH:8]3[CH:7]4=[CH:10]51">CAN<103:123634>NUM<0009>SEQ<0002>COMPRN<12176066,7553562,75092,12287615>ROLESTAGE<0;12176066;1;reactant>STAGE<0;7553562;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;12287615;1;product>NOTES<"the enthalpy of iodination was detd.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<150>ISM<"[O:12]#[C:5][184W+:3]1234([C:1]#[O:2])([C:4]#[O:11])([CH-:6]5[CH:8]2=[CH:9]3[CH:10]4=[CH:7]51)[184W+]6789([C]#[O])([C]#[O])([C]#[O])[CH-]%10[CH]7=[CH]8[CH]9=[CH]%106>[127I][127I].[Cl][CH2][Cl]>[127I-][184W+2:3]1234([C:1]#[O:2])([C:4]#[O:11])([C:5]#[O:12])[CH-:9]5[CH:8]2=[CH:6]3[CH:7]4=[CH:10]51">CAN<103:123634>NUM<0010>SEQ<0001>COMPRN<12091655,7553562,75092,31870696>ROLESTAGE<0;12091655;1;reactant>STAGE<0;7553562;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;31870696;1;product>NOTES<"the enthalpy of iodination was detd.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<151>ISM<"[H-][184W+2:3]1234([C:1]#[O:2])([C:4]#[O:11])([C:5]#[O:12])[CH-:6]5[CH:9]2=[CH:8]3[CH:7]4=[CH:10]51>[127I][127I].[Cl][CH2][Cl]>[127I-][184W+2:3]1234([C:1]#[O:2])([C:4]#[O:11])([C:5]#[O:12])[CH-:6]5[CH:9]2=[CH:8]3[CH:7]4=[CH:10]51">CAN<103:123634>NUM<0010>SEQ<0002>COMPRN<12128266,7553562,75092,31870696>ROLESTAGE<0;12128266;1;reactant>STAGE<0;7553562;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;31870696;1;product>NOTES<"the enthalpy of iodination was detd.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<152>ISM<"[H-][52Cr+2]1234([C]#[O])([C]#[O])([C]#[O])[CH-]5[CH]2=[CH]3[CH]4=[CH]51.[CH2]1[CH2][CH]=[CH][CH]=[CH]1.[H-][52Cr+2]1234([C]#[O])([C]#[O])([C]#[O])[CH-]5[CH]2=[CH]3[CH]4=[CH]51.[CH2]1[CH2][CH]=[CH][CH]=[CH]1>[CH3][CH2][CH2][CH2][CH2][CH2][CH3]>[O]#[C][52Cr+]1234([C]#[O])([C]#[O])([CH-]5[CH]2=[CH]3[CH]4=[CH]51)[52Cr+]6789([C]#[O])([C]#[O])([C]#[O])[CH-]%10[CH]7=[CH]8[CH]9=[CH]%106.[O]=[C-2]1[98Mo+3]23456([C]#[O])([C]#[O])([CH-]7[CH]3=[CH]4[CH]5=[CH]72)[C-2](=[O])[98Mo+3]89%10%1116([C]#[O])([C]#[O])[CH-]%12[CH]9=[CH]%10[CH]%11=[CH]%128">CAN<103:123634>NUM<0011>SEQ<0001>COMPRN<36495371,592574,36495371,592574,142825,12194126,60974858>ROLESTAGE<0;592574;2;reactant>STAGE<0;36495371;2;reactant>STAGE<0;142825;1;solvent>STAGE<0;12194126;1;product>STAGE<0;60974858;1;product>NOTES<"the heat of hydrogenation was detd.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<153>ISM<"[O:12]#[C:5][52Cr+:3]1234([C:1]#[O:2])([C:4]#[O:11])([CH-:9]5[CH:8]2=[CH:6]3[CH:7]4=[CH:10]51)[52Cr+]6789([C]#[O])([C]#[O])([C]#[O])[CH-]%10[CH]7=[CH]8[CH]9=[CH]%106>[H][H]>[H-][52Cr+2:3]1234([C:1]#[O:2])([C:4]#[O:11])([C:5]#[O:12])[CH-:9]5[CH:10]2=[CH:7]3[CH:6]4=[CH:8]51">CAN<103:123634>NUM<0017>SEQ<0001>COMPRN<12194126,1333740,36495371>ROLESTAGE<0;12194126;1;reactant>STAGE<0;1333740;1;reagent>STAGE<0;36495371;1;product>NOTES<"the heat of the reaction was calculated, for soured metal-contg. species and gaseous hydrogen">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<154>ISM<"[O:12]=[C-2:5]1[98Mo+3:3]23456([C:1]#[O:2])([C:4]#[O:11])([CH-:8]7[CH:10]3=[CH:6]4[CH:7]5=[CH:9]72)[C-2](=[O])[98Mo+3]89%10%1116([C]#[O])([C]#[O])[CH-]%12[CH]9=[CH]%10[CH]%11=[CH]%128>[H][H]>[H-][98Mo+2:3]1234([C:5]#[O:12])([C:1]#[O:2])([C:4]#[O:11])[CH-:8]5[CH:9]2=[CH:7]3[CH:6]4=[CH:10]51">CAN<103:123634>NUM<0017>SEQ<0002>COMPRN<60974858,1333740,12176066>ROLESTAGE<0;60974858;1;reactant>STAGE<0;1333740;1;reagent>STAGE<0;12176066;1;product>NOTES<"the heat of the reaction was calculated, for soured metal-contg. species and gaseous hydrogen">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<155>ISM<"[O:12]#[C:5][184W+:3]1234([C:1]#[O:2])([C:4]#[O:11])([CH-:6]5[CH:8]2=[CH:9]3[CH:10]4=[CH:7]51)[184W+]6789([C]#[O])([C]#[O])([C]#[O])[CH-]%10[CH]7=[CH]8[CH]9=[CH]%106>[H][H]>[H-][184W+2:3]1234([C:1]#[O:2])([C:4]#[O:11])([C:5]#[O:12])[CH-:9]5[CH:8]2=[CH:6]3[CH:7]4=[CH:10]51">CAN<103:123634>NUM<0017>SEQ<0003>COMPRN<12091655,1333740,12128266>ROLESTAGE<0;12091655;1;reactant>STAGE<0;1333740;1;reagent>STAGE<0;12128266;1;product>NOTES<"the heat of the reaction was calculated, for soured metal-contg. species and gaseous hydrogen">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<156>ISM<"[CH3:10][O:9][c:8]1[cH:6][cH:4][c:3]([CH:1]=[N:2][OH])[cH:5][cH:7]1.[CH3:20][O:19][c:18]1[cH:16][cH:14][c:13]([CH:11]=[N:12][OH])[cH:15][cH:17]1.[O:27]#[C:22][184W:21]([C:23]#[O:28])([C:24]#[O:29])([C:25]#[O:30])([C:26]#[O:31])[C]#[O].[O:38]#[C:33][184W:32]([C:34]#[O:39])([C:35]#[O:40])([C:36]#[O:41])([C:37]#[O:42])[C]#[O]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:10][O:9][c:8]1[cH:6][cH:4][c:3]([CH:1]=[NH:2][184W:21]([C:24]#[O:29])([C:25]#[O:30])([C:26]#[O:31])([C:22]#[O:27])[C:23]#[O:28])[cH:5][cH:7]1.[CH3:20][O:19][c:18]1[cH:16][cH:14][c:13]([C:11]#[N:12][184W:32]([C:35]#[O:40])([C:36]#[O:41])([C:37]#[O:42])([C:33]#[O:38])[C:34]#[O:39])[cH:15][cH:17]1">CAN<103:123633>NUM<0003>SEQ<0001>COMPRN<3235049,3235049,14040110,14040110,109999,97092483,97092541>ROLESTAGE<0;3235049;2;reactant>STAGE<0;14040110;2;reactant>STAGE<0;109999;1;solvent>STAGE<0;97092483;1;product>STAGE<0;97092541;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<157>ISM<"[CH3:3][CH:1]=[N:2][OH].[O:10]#[C:5][184W:4]([C]#[O])([C:6]#[O:11])([C:7]#[O:12])([C:8]#[O:13])[C:9]#[O:14]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:3][CH:1]=[NH:2][184W:4]([C:9]#[O:14])([C:8]#[O:13])([C:7]#[O:12])([C:6]#[O:11])[C:5]#[O:10]">CAN<103:123633>NUM<0005>SEQ<0001>COMPRN<107299,14040110,109999,97092494>ROLESTAGE<0;107299;1;reactant>STAGE<0;14040110;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97092494;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<158>ISM<"[CH3:3][C:1](=[N:2][OH])[CH3:4].[O:11]#[C:6][184W:5]([C]#[O])([C:7]#[O:12])([C:8]#[O:13])([C:9]#[O:14])[C:10]#[O:15]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:4][C:1](=[NH:2][184W:5]([C:6]#[O:11])([C:7]#[O:12])([C:8]#[O:13])([C:9]#[O:14])[C:10]#[O:15])[CH3:3]">CAN<103:123633>NUM<0007>SEQ<0001>COMPRN<127060,14040110,109999,50726120>ROLESTAGE<0;127060;1;reactant>STAGE<0;14040110;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;50726120;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<159>ISM<"[CH3:3][C:1](=[N:2][OH])[c:4]1[cH:5][cH:7][cH:9][cH:8][cH:6]1.[O:16]#[C:11][184W:10]([C]#[O])([C:12]#[O:17])([C:13]#[O:18])([C:14]#[O:19])[C:15]#[O:20]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:3][C:1](=[NH:2][184W:10]([C:13]#[O:18])([C:11]#[O:16])([C:12]#[O:17])([C:15]#[O:20])[C:14]#[O:19])[c:4]1[cH:5][cH:7][cH:9][cH:8][cH:6]1">CAN<103:123633>NUM<0008>SEQ<0001>COMPRN<613912,14040110,109999,97092530>ROLESTAGE<0;613912;1;reactant>STAGE<0;14040110;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97092530;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<160>ISM<"[OH][N:1]=[CH2:2].[O:9]#[C:4][184W:3]([C]#[O])([C:5]#[O:10])([C:6]#[O:11])([C:7]#[O:12])[C:8]#[O:13]>[CH2]1[CH2][CH2][O][CH2]1>[CH2:2]=[NH:1][184W:3]([C:4]#[O:9])([C:5]#[O:10])([C:6]#[O:11])([C:7]#[O:12])[C:8]#[O:13]">CAN<103:123633>NUM<0009>SEQ<0001>COMPRN<75172,14040110,109999,97370564>ROLESTAGE<0;75172;1;reactant>STAGE<0;14040110;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97370564;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<161>ISM<"[CH2:2]=[P:1]([c:5]1[cH:11][cH:17][cH:20][cH:16][cH:10]1)([c:4]2[cH:9][cH:15][cH:19][cH:14][cH:8]2)[c:3]3[cH:6][cH:12][cH:18][cH:13][cH:7]3.[CH:37]1=[CH:36][CH:34]=[C-:32]([CH:33]=[CH:35]1)[90Zr+4:21]23456789([CH-:25]%10[CH:31]4=[CH:23]6[CH:22]7=[CH:24]%102)([CH-:26]%11[CH:29]5=[CH:28]8[CH:27]9=[CH:30]%113)[C-]%12=[CH][CH]=[CH][CH]=[CH]%12>[CH3][CH2][CH2][CH2][CH2][CH2][CH3]>[CH:37]1=[CH:36][CH:34]=[C-:32]([CH:33]=[CH:35]1)[90Zr+4:21]23456789([CH-:2]=[P:1]([c:5]%10[cH:11][cH:17][cH:20][cH:16][cH:10]%10)([c:4]%11[cH:9][cH:15][cH:19][cH:14][cH:8]%11)[c:3]%12[cH:7][cH:13][cH:18][cH:12][cH:6]%12)([CH-:25]%13[CH:31]4=[CH:23]6[CH:22]7=[CH:24]%132)[CH-:26]%14[CH:29]5=[CH:28]8[CH:27]9=[CH:30]%143">CAN<103:123631>NUM<0001>SEQ<0001>COMPRN<3487443,51177890,142825,96482767>ROLESTAGE<0;3487443;1;reactant>STAGE<0;51177890;1;reactant>STAGE<0;142825;1;solvent>STAGE<0;96482767;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<189>ISM<"[CH3][C](=[O])[CH-]([197Au+:2][P:1]([c:4]1[cH:8][cH:14][cH:19][cH:15][cH:9]1)([c:3]2[cH:7][cH:13][cH:18][cH:12][cH:6]2)[c:5]3[cH:10][cH:16][cH:20][cH:17][cH:11]3)[C](=[O])[CH3].[O-:25][Cl:21](=[O:22])(=[O:23])=[O:24].[CH3:51][O:40][C:32](=[O:41])[CH-:27]([197Au+:31][P:39]([c:49]1[cH:57][cH:63][cH:68][cH:64][cH:58]1)([c:48]2[cH:55][cH:61][cH:67][cH:62][cH:56]2)[c:50]3[cH:60][cH:66][cH:69][cH:65][cH:59]3)[P+:26]([c:30]4[cH:37][cH:46][cH:54][cH:47][cH:38]4)([c:29]5[cH:35][cH:44][cH:53][cH:45][cH:36]5)[c:28]6[cH:33][cH:42][cH:52][cH:43][cH:34]6>[Cl][CH2][Cl]>[O-:25][Cl:21](=[O:22])(=[O:23])=[O:24].[CH3:51][O:40][C:32](=[O:41])[C-2:27]1([197Au+:31]([197Au+:2]1[P:1]([c:4]2[cH:9][cH:15][cH:19][cH:14][cH:8]2)([c:3]3[cH:7][cH:13][cH:18][cH:12][cH:6]3)[c:5]4[cH:11][cH:17][cH:20][cH:16][cH:10]4)[P:39]([c:49]5[cH:57][cH:63][cH:68][cH:64][cH:58]5)([c:48]6[cH:55][cH:61][cH:67][cH:62][cH:56]6)[c:50]7[cH:59][cH:65][cH:69][cH:66][cH:60]7)[P+:26]([c:29]8[cH:36][cH:45][cH:53][cH:44][cH:35]8)([c:30]9[cH:38][cH:47][cH:54][cH:46][cH:37]9)[c:28]%10[cH:33][cH:42][cH:52][cH:43][cH:34]%10">CAN<103:123627>NUM<0001>SEQ<0002>COMPRN<15454043,14797730,98255802,75092,14797730,98255880>ROLESTAGE<0;15454043;1;reactant>STAGE<0;98255813;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98255891;1;product>MCOMPRN<98255813;14797730;1>MCOMPRN<98255813;98255802;1>MCOMPRN<98255891;14797730;1>MCOMPRN<98255891;98255880;1>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<190>ISM<"[CH3][C](=[O])[CH-]([197Au+:2][P:1]([c:4]1[cH:8][cH:14][cH:19][cH:15][cH:9]1)([c:3]2[cH:7][cH:13][cH:18][cH:12][cH:6]2)[c:5]3[cH:10][cH:16][cH:20][cH:17][cH:11]3)[C](=[O])[CH3].[O-:25][Cl:21](=[O:22])(=[O:23])=[O:24].[CH3:50][CH2:46][O:38][C:31](=[O:39])[CH2:27][P+:26]([c:30]1[cH:36][cH:44][cH:49][cH:45][cH:37]1)([c:29]2[cH:35][cH:43][cH:48][cH:42][cH:34]2)[c:28]3[cH:32][cH:40][cH:47][cH:41][cH:33]3>[Cl][CH2][Cl]>[O-:25][Cl:21](=[O:22])(=[O:23])=[O:24].[CH3:50][CH2:46][O:38][C:31](=[O:39])[CH-:27]([197Au+:2][P:1]([c:5]1[cH:11][cH:17][cH:20][cH:16][cH:10]1)([c:4]2[cH:8][cH:14][cH:19][cH:15][cH:9]2)[c:3]3[cH:7][cH:13][cH:18][cH:12][cH:6]3)[P+:26]([c:30]4[cH:36][cH:44][cH:49][cH:45][cH:37]4)([c:29]5[cH:35][cH:43][cH:48][cH:42][cH:34]5)[c:28]6[cH:33][cH:41][cH:47][cH:40][cH:32]6">CAN<103:123627>NUM<0002>SEQ<0001>COMPRN<15454043,14797730,42809803,75092,14797730,98255824>ROLESTAGE<0;15454043;1;reactant>STAGE<0;39092041;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98255835;1;product>MCOMPRN<39092041;14797730;1>MCOMPRN<39092041;42809803;1>MCOMPRN<98255835;14797730;1>MCOMPRN<98255835;98255824;1>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<191>ISM<"[CH3][C](=[O])[CH-]([197Au+:2][P:1]([c:4]1[cH:8][cH:14][cH:19][cH:15][cH:9]1)([c:3]2[cH:7][cH:13][cH:18][cH:12][cH:6]2)[c:5]3[cH:10][cH:16][cH:20][cH:17][cH:11]3)[C](=[O])[CH3].[O-:25][Cl:21](=[O:22])(=[O:23])=[O:24].[CH3:61][CH2:51][O:40][C:32](=[O:41])[CH-:27]([197Au+:31][P:39]([c:50]1[cH:60][cH:67][cH:70][cH:66][cH:59]1)([c:49]2[cH:57][cH:64][cH:69][cH:65][cH:58]2)[c:48]3[cH:56][cH:63][cH:68][cH:62][cH:55]3)[P+:26]([c:30]4[cH:37][cH:46][cH:54][cH:47][cH:38]4)([c:29]5[cH:36][cH:45][cH:53][cH:44][cH:35]5)[c:28]6[cH:34][cH:43][cH:52][cH:42][cH:33]6>[Cl][CH2][Cl]>[O-:25][Cl:21](=[O:22])(=[O:23])=[O:24].[CH3:61][CH2:51][O:40][C:32](=[O:41])[C-2:27]1([197Au+:31]([197Au+:2]1[P:1]([c:5]2[cH:11][cH:17][cH:20][cH:16][cH:10]2)([c:4]3[cH:9][cH:15][cH:19][cH:14][cH:8]3)[c:3]4[cH:6][cH:12][cH:18][cH:13][cH:7]4)[P:39]([c:49]5[cH:57][cH:64][cH:69][cH:65][cH:58]5)([c:48]6[cH:55][cH:62][cH:68][cH:63][cH:56]6)[c:50]7[cH:60][cH:67][cH:70][cH:66][cH:59]7)[P+:26]([c:29]8[cH:35][cH:44][cH:53][cH:45][cH:36]8)([c:30]9[cH:38][cH:47][cH:54][cH:46][cH:37]9)[c:28]%10[cH:34][cH:43][cH:52][cH:42][cH:33]%10">CAN<103:123627>NUM<0002>SEQ<0002>COMPRN<15454043,14797730,98255824,75092,14797730,98255846>ROLESTAGE<0;15454043;1;reactant>STAGE<0;98255835;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98255857;1;product>MCOMPRN<98255835;14797730;1>MCOMPRN<98255835;98255824;1>MCOMPRN<98255857;14797730;1>MCOMPRN<98255857;98255846;1>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<192>ISM<"[CH3][C](=[O])[CH-]([197Au+:2][As:1]([c:4]1[cH:8][cH:14][cH:19][cH:15][cH:9]1)([c:3]2[cH:7][cH:13][cH:18][cH:12][cH:6]2)[c:5]3[cH:10][cH:16][cH:20][cH:17][cH:11]3)[C](=[O])[CH3].[O-:25][Cl:21](=[O:22])(=[O:23])=[O:24].[CH3:50][CH2:46][O:38][C:31](=[O:39])[CH2:27][P+:26]([c:30]1[cH:36][cH:44][cH:49][cH:45][cH:37]1)([c:29]2[cH:35][cH:43][cH:48][cH:42][cH:34]2)[c:28]3[cH:32][cH:40][cH:47][cH:41][cH:33]3>[Cl][CH2][Cl]>[O-:25][Cl:21](=[O:22])(=[O:23])=[O:24].[CH3:50][CH2:46][O:38][C:31](=[O:39])[CH-:27]([197Au+:2][As:1]([c:5]1[cH:11][cH:17][cH:20][cH:16][cH:10]1)([c:3]2[cH:6][cH:12][cH:18][cH:13][cH:7]2)[c:4]3[cH:8][cH:14][cH:19][cH:15][cH:9]3)[P+:26]([c:30]4[cH:37][cH:45][cH:49][cH:44][cH:36]4)([c:29]5[cH:35][cH:43][cH:48][cH:42][cH:34]5)[c:28]6[cH:33][cH:41][cH:47][cH:40][cH:32]6">CAN<103:123627>NUM<0003>SEQ<0001>COMPRN<25609227,14797730,42809803,75092,14797730,98287173>ROLESTAGE<0;25609227;1;reactant>STAGE<0;39092041;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98287184;1;product>MCOMPRN<39092041;14797730;1>MCOMPRN<39092041;42809803;1>MCOMPRN<98287184;14797730;1>MCOMPRN<98287184;98287173;1>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<193>ISM<"[CH3][C](=[O])[CH-]([197Au+:2][As:1]([c:4]1[cH:8][cH:14][cH:19][cH:15][cH:9]1)([c:3]2[cH:7][cH:13][cH:18][cH:12][cH:6]2)[c:5]3[cH:10][cH:16][cH:20][cH:17][cH:11]3)[C](=[O])[CH3].[O-:25][Cl:21](=[O:22])(=[O:23])=[O:24].[CH3:61][CH2:51][O:40][C:32](=[O:41])[CH-:27]([197Au+:31][As:39]([c:50]1[cH:60][cH:67][cH:70][cH:66][cH:59]1)([c:48]2[cH:55][cH:62][cH:68][cH:63][cH:56]2)[c:49]3[cH:57][cH:64][cH:69][cH:65][cH:58]3)[P+:26]([c:30]4[cH:38][cH:47][cH:54][cH:46][cH:37]4)([c:29]5[cH:36][cH:45][cH:53][cH:44][cH:35]5)[c:28]6[cH:34][cH:43][cH:52][cH:42][cH:33]6>[Cl][CH2][Cl]>[O-:25][Cl:21](=[O:22])(=[O:23])=[O:24].[CH3:61][CH2:51][O:40][C:32](=[O:41])[C-2:27]1([197Au+:31]([197Au+:2]1[As:1]([c:3]2[cH:7][cH:13][cH:18][cH:12][cH:6]2)([c:5]3[cH:11][cH:17][cH:20][cH:16][cH:10]3)[c:4]4[cH:8][cH:14][cH:19][cH:15][cH:9]4)[As:39]([c:50]5[cH:60][cH:67][cH:70][cH:66][cH:59]5)([c:48]6[cH:55][cH:62][cH:68][cH:63][cH:56]6)[c:49]7[cH:58][cH:65][cH:69][cH:64][cH:57]7)[P+:26]([c:29]8[cH:35][cH:44][cH:53][cH:45][cH:36]8)([c:30]9[cH:37][cH:46][cH:54][cH:47][cH:38]9)[c:28]%10[cH:34][cH:43][cH:52][cH:42][cH:33]%10">CAN<103:123627>NUM<0003>SEQ<0002>COMPRN<25609227,14797730,98287173,75092,14797730,98255868>ROLESTAGE<0;25609227;1;reactant>STAGE<0;98287184;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98255879;1;product>MCOMPRN<98287184;14797730;1>MCOMPRN<98287184;98287173;1>MCOMPRN<98255879;14797730;1>MCOMPRN<98255879;98255868;1>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<194>ISM<"[CH3:23][O:14][C:6](=[O:15])[CH-:2]([197Au+:7][Cl-:16])[P+:1]([c:5]1[cH:12][cH:21][cH:26][cH:22][cH:13]1)([c:4]2[cH:10][cH:19][cH:25][cH:20][cH:11]2)[c:3]3[cH:9][cH:18][cH:24][cH:17][cH:8]3>[Cl][Cl].[Cl][CH2][Cl].[Cl][C]([Cl])([Cl])[Cl]>[CH3:23][O:14][C:6](=[O:15])[CH-:2]([P+:1]([c:5]1[cH:13][cH:22][cH:26][cH:21][cH:12]1)([c:3]2[cH:9][cH:18][cH:24][cH:17][cH:8]2)[c:4]3[cH:11][cH:20][cH:25][cH:19][cH:10]3)[197Au+3:7]([Cl-])([Cl-])[Cl-:16]">CAN<103:123627>NUM<0007>SEQ<0001>COMPRN<98255904,7782505,75092,56235,98255733>ROLESTAGE<0;98255904;1;reactant>STAGE<0;7782505;1;reagent>STAGE<0;56235;1;solvent>STAGE<0;75092;1;solvent>STAGE<0;98255733;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<196>ISM<"[CH3:27][CH2:23][O:14][C:6](=[O:15])[CH-:2]([197Au+:7][Cl-:16])[P+:1]([c:5]1[cH:12][cH:21][cH:26][cH:22][cH:13]1)([c:4]2[cH:11][cH:20][cH:25][cH:19][cH:10]2)[c:3]3[cH:9][cH:18][cH:24][cH:17][cH:8]3>[Cl][Cl].[Cl][CH2][Cl].[Cl][C]([Cl])([Cl])[Cl]>[CH3:27][CH2:23][O:14][C:6](=[O:15])[CH-:2]([P+:1]([c:5]1[cH:12][cH:21][cH:26][cH:22][cH:13]1)([c:4]2[cH:10][cH:19][cH:25][cH:20][cH:11]2)[c:3]3[cH:9][cH:18][cH:24][cH:17][cH:8]3)[197Au+3:7]([Cl-])([Cl-])[Cl-:16]">CAN<103:123627>NUM<0008>SEQ<0001>COMPRN<98255915,7782505,75092,56235,98255744>ROLESTAGE<0;98255915;1;reactant>STAGE<0;7782505;1;reagent>STAGE<0;56235;1;solvent>STAGE<0;75092;1;solvent>STAGE<0;98255744;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<198>ISM<"[O-][Cl](=[O])(=[O])=[O].[CH3:25][O:15][C:7](=[O:16])[CH-:2]([197Au+:6][CH-:14]([C:24](=[O:33])[O:32][CH3:40])[P+:23]([c:31]1[cH:39][cH:46][cH:49][cH:45][cH:38]1)([c:29]2[cH:34][cH:41][cH:47][cH:42][cH:35]2)[c:30]3[cH:36][cH:43][cH:48][cH:44][cH:37]3)[P+:1]([c:5]4[cH:12][cH:21][cH:28][cH:22][cH:13]4)([c:4]5[cH:10][cH:19][cH:27][cH:20][cH:11]5)[c:3]6[cH:8][cH:17][cH:26][cH:18][cH:9]6>[Cl][Cl].[Cl][CH2][Cl].[Cl][C]([Cl])([Cl])[Cl]>[O-][Cl](=[O])(=[O])=[O].[CH3:40][O:32][C:24](=[O:33])[CH-:14]([P+:23]([c:30]1[cH:37][cH:44][cH:48][cH:43][cH:36]1)([c:29]2[cH:35][cH:42][cH:47][cH:41][cH:34]2)[c:31]3[cH:38][cH:45][cH:49][cH:46][cH:39]3)[197Au+3:6]([Cl-])([Cl-])[CH-:2]([C:7](=[O:16])[O:15][CH3:25])[P+:1]([c:4]4[cH:10][cH:19][cH:27][cH:20][cH:11]4)([c:3]5[cH:9][cH:18][cH:26][cH:17][cH:8]5)[c:5]6[cH:13][cH:22][cH:28][cH:21][cH:12]6">CAN<103:123627>NUM<0011>SEQ<0001>COMPRN<14797730,98241077,7782505,75092,56235,14797730,98255697>ROLESTAGE<0;98241088;1;reactant>STAGE<0;7782505;1;reagent>STAGE<0;56235;1;solvent>STAGE<0;75092;1;solvent>STAGE<0;98255700;1;product>MCOMPRN<98241088;14797730;1>MCOMPRN<98241088;98241077;1>MCOMPRN<98255700;14797730;1>MCOMPRN<98255700;98255697;1>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<199>ISM<"[O-][Cl](=[O])(=[O])=[O].[CH3:48][CH2:41][O:32][C:24](=[O:33])[CH-:14]([197Au+:6][CH-:2]([C:7](=[O:16])[O:15][CH2:25][CH3:34])[P+:1]([c:3]1[cH:9][cH:18][cH:26][cH:17][cH:8]1)([c:5]2[cH:12][cH:21][cH:28][cH:22][cH:13]2)[c:4]3[cH:11][cH:20][cH:27][cH:19][cH:10]3)[P+:23]([c:31]4[cH:40][cH:47][cH:51][cH:46][cH:39]4)([c:29]5[cH:35][cH:42][cH:49][cH:43][cH:36]5)[c:30]6[cH:37][cH:44][cH:50][cH:45][cH:38]6>[Cl][Cl].[Cl][CH2][Cl].[Cl][C]([Cl])([Cl])[Cl]>[O-][Cl](=[O])(=[O])=[O].[CH3:48][CH2:41][O:32][C:24](=[O:33])[CH-:14]([P+:23]([c:31]1[cH:39][cH:46][cH:51][cH:47][cH:40]1)([c:29]2[cH:36][cH:43][cH:49][cH:42][cH:35]2)[c:30]3[cH:38][cH:45][cH:50][cH:44][cH:37]3)[197Au+3:6]([Cl-])([Cl-])[CH-:2]([C:7](=[O:16])[O:15][CH2:25][CH3:34])[P+:1]([c:5]4[cH:13][cH:22][cH:28][cH:21][cH:12]4)([c:3]5[cH:9][cH:18][cH:26][cH:17][cH:8]5)[c:4]6[cH:10][cH:19][cH:27][cH:20][cH:11]6">CAN<103:123627>NUM<0012>SEQ<0001>COMPRN<14797730,98241099,7782505,75092,56235,14797730,98255711>ROLESTAGE<0;98241102;1;reactant>STAGE<0;7782505;1;reagent>STAGE<0;56235;1;solvent>STAGE<0;75092;1;solvent>STAGE<0;98255722;1;product>MCOMPRN<98241102;14797730;1>MCOMPRN<98241102;98241099;1>MCOMPRN<98255722;14797730;1>MCOMPRN<98255722;98255711;1>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<200>ISM<"[CH3][C](=[O])[CH-]([197Au+:2][P:1]([c:4]1[cH:8][cH:14][cH:19][cH:15][cH:9]1)([c:3]2[cH:7][cH:13][cH:18][cH:12][cH:6]2)[c:5]3[cH:10][cH:16][cH:20][cH:17][cH:11]3)[C](=[O])[CH3].[CH3][C](=[O])[CH-]([197Au+:22][P:21]([c:24]1[cH:28][cH:34][cH:39][cH:35][cH:29]1)([c:23]2[cH:27][cH:33][cH:38][cH:32][cH:26]2)[c:25]3[cH:30][cH:36][cH:40][cH:37][cH:31]3)[C](=[O])[CH3].[O-:45][Cl:41](=[O:42])(=[O:43])=[O:44].[CH3:66][O:58][C:51](=[O:59])[CH2:47][P+:46]([c:50]1[cH:57][cH:65][cH:69][cH:64][cH:56]1)([c:49]2[cH:55][cH:63][cH:68][cH:62][cH:54]2)[c:48]3[cH:53][cH:61][cH:67][cH:60][cH:52]3>[Cl][CH2][Cl]>[O-:45][Cl:41](=[O:42])(=[O:43])=[O:44].[CH3:66][O:58][C:51](=[O:59])[C-2:47]1([197Au+:22]([197Au+:2]1[P:1]([c:4]2[cH:9][cH:15][cH:19][cH:14][cH:8]2)([c:3]3[cH:7][cH:13][cH:18][cH:12][cH:6]3)[c:5]4[cH:11][cH:17][cH:20][cH:16][cH:10]4)[P:21]([c:24]5[cH:28][cH:34][cH:39][cH:35][cH:29]5)([c:23]6[cH:26][cH:32][cH:38][cH:33][cH:27]6)[c:25]7[cH:30][cH:36][cH:40][cH:37][cH:31]7)[P+:46]([c:49]8[cH:55][cH:63][cH:68][cH:62][cH:54]8)([c:50]9[cH:57][cH:65][cH:69][cH:64][cH:56]9)[c:48]%10[cH:52][cH:60][cH:67][cH:61][cH:53]%10">CAN<103:123627>NUM<0015>SEQ<0001>COMPRN<15454043,15454043,14797730,48200255,75092,14797730,98255880>ROLESTAGE<0;15454043;2;reactant>STAGE<0;39720644;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98255891;1;product>MCOMPRN<39720644;14797730;1>MCOMPRN<39720644;48200255;1>MCOMPRN<98255891;14797730;1>MCOMPRN<98255891;98255880;1>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<201>ISM<"[CH3][C](=[O])[CH-]([197Au+:2][P:1]([c:4]1[cH:8][cH:14][cH:19][cH:15][cH:9]1)([c:3]2[cH:7][cH:13][cH:18][cH:12][cH:6]2)[c:5]3[cH:10][cH:16][cH:20][cH:17][cH:11]3)[C](=[O])[CH3].[CH3][C](=[O])[CH-]([197Au+:22][P:21]([c:24]1[cH:28][cH:34][cH:39][cH:35][cH:29]1)([c:23]2[cH:27][cH:33][cH:38][cH:32][cH:26]2)[c:25]3[cH:30][cH:36][cH:40][cH:37][cH:31]3)[C](=[O])[CH3].[O-:45][Cl:41](=[O:42])(=[O:43])=[O:44].[CH3:70][CH2:66][O:58][C:51](=[O:59])[CH2:47][P+:46]([c:50]1[cH:56][cH:64][cH:69][cH:65][cH:57]1)([c:49]2[cH:55][cH:63][cH:68][cH:62][cH:54]2)[c:48]3[cH:52][cH:60][cH:67][cH:61][cH:53]3>[Cl][CH2][Cl]>[O-:45][Cl:41](=[O:42])(=[O:43])=[O:44].[CH3:70][CH2:66][O:58][C:51](=[O:59])[C-2:47]1([197Au+:22]([197Au+:2]1[P:1]([c:5]2[cH:11][cH:17][cH:20][cH:16][cH:10]2)([c:4]3[cH:9][cH:15][cH:19][cH:14][cH:8]3)[c:3]4[cH:6][cH:12][cH:18][cH:13][cH:7]4)[P:21]([c:24]5[cH:28][cH:34][cH:39][cH:35][cH:29]5)([c:23]6[cH:26][cH:32][cH:38][cH:33][cH:27]6)[c:25]7[cH:31][cH:37][cH:40][cH:36][cH:30]7)[P+:46]([c:49]8[cH:54][cH:62][cH:68][cH:63][cH:55]8)([c:50]9[cH:57][cH:65][cH:69][cH:64][cH:56]9)[c:48]%10[cH:53][cH:61][cH:67][cH:60][cH:52]%10">CAN<103:123627>NUM<0015>SEQ<0002>COMPRN<15454043,15454043,14797730,42809803,75092,14797730,98255846>ROLESTAGE<0;15454043;2;reactant>STAGE<0;39092041;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98255857;1;product>MCOMPRN<39092041;14797730;1>MCOMPRN<39092041;42809803;1>MCOMPRN<98255857;14797730;1>MCOMPRN<98255857;98255846;1>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<202>ISM<"[CH3][C](=[O])[CH-]([197Au+:2][As:1]([c:4]1[cH:8][cH:14][cH:19][cH:15][cH:9]1)([c:3]2[cH:7][cH:13][cH:18][cH:12][cH:6]2)[c:5]3[cH:10][cH:16][cH:20][cH:17][cH:11]3)[C](=[O])[CH3].[CH3][C](=[O])[CH-]([197Au+:22][As:21]([c:24]1[cH:28][cH:34][cH:39][cH:35][cH:29]1)([c:23]2[cH:27][cH:33][cH:38][cH:32][cH:26]2)[c:25]3[cH:30][cH:36][cH:40][cH:37][cH:31]3)[C](=[O])[CH3].[O-:45][Cl:41](=[O:42])(=[O:43])=[O:44].[CH3:70][CH2:66][O:58][C:51](=[O:59])[CH2:47][P+:46]([c:50]1[cH:56][cH:64][cH:69][cH:65][cH:57]1)([c:49]2[cH:55][cH:63][cH:68][cH:62][cH:54]2)[c:48]3[cH:52][cH:60][cH:67][cH:61][cH:53]3>[Cl][CH2][Cl]>[O-:45][Cl:41](=[O:42])(=[O:43])=[O:44].[CH3:70][CH2:66][O:58][C:51](=[O:59])[C-2:47]1([197Au+:22]([197Au+:2]1[As:1]([c:3]2[cH:7][cH:13][cH:18][cH:12][cH:6]2)([c:5]3[cH:11][cH:17][cH:20][cH:16][cH:10]3)[c:4]4[cH:8][cH:14][cH:19][cH:15][cH:9]4)[As:21]([c:25]5[cH:31][cH:37][cH:40][cH:36][cH:30]5)([c:23]6[cH:26][cH:32][cH:38][cH:33][cH:27]6)[c:24]7[cH:29][cH:35][cH:39][cH:34][cH:28]7)[P+:46]([c:49]8[cH:54][cH:62][cH:68][cH:63][cH:55]8)([c:50]9[cH:56][cH:64][cH:69][cH:65][cH:57]9)[c:48]%10[cH:53][cH:61][cH:67][cH:60][cH:52]%10">CAN<103:123627>NUM<0016>SEQ<0001>COMPRN<25609227,25609227,14797730,42809803,75092,14797730,98255868>ROLESTAGE<0;25609227;2;reactant>STAGE<0;39092041;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98255879;1;product>MCOMPRN<39092041;14797730;1>MCOMPRN<39092041;42809803;1>MCOMPRN<98255879;14797730;1>MCOMPRN<98255879;98255868;1>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<203>ISM<"[CH3:21][O:13][C:6](=[O:14])[CH:2]=[P:1]([c:5]1[cH:12][cH:20][cH:24][cH:19][cH:11]1)([c:4]2[cH:10][cH:18][cH:23][cH:17][cH:9]2)[c:3]3[cH:8][cH:16][cH:22][cH:15][cH:7]3.[CH3][O][C](=[O])[CH-][P+]([c]1[cH][cH][cH][cH][cH]1)([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3.[Cl-:26][197Au+:25][S]1[CH2][CH2][CH2][CH2]1>[Cl][CH2][Cl]>[CH3:21][O:13][C:6](=[O:14])[CH-:2]([197Au+:25][Cl-:26])[P+:1]([c:5]1[cH:11][cH:19][cH:24][cH:20][cH:12]1)([c:4]2[cH:9][cH:17][cH:23][cH:18][cH:10]2)[c:3]3[cH:8][cH:16][cH:22][cH:15][cH:7]3">CAN<103:123627>NUM<0020>SEQ<0001>COMPRN<2605676,21204671,39929210,75092,98255904>ROLESTAGE<0;2605676;1;reactant>STAGE<0;21204671;1;reactant>STAGE<0;39929210;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98255904;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<213>ISM<"[CH3:2][Si:1]([CH3:3])([CH3:4])[Cl].[CH3:15][CH2:12][CH2:9][CH2:6][120SnH:5]([CH2:7][CH2:10][CH2:13][CH3:16])[CH2:8][CH2:11][CH2:14][CH3:17]>[7Li].[CH3][CH]([CH3])[NH][CH]([CH3])[CH3]>[CH3:17][CH2:14][CH2:11][CH2:8][120Sn:5]([CH2:7][CH2:10][CH2:13][CH3:16])([CH2:6][CH2:9][CH2:12][CH3:15])[Si:1]([CH3:2])([CH3:3])[CH3:4]">CAN<103:123622>NUM<0001>SEQ<0001>COMPRN<75774,688733,4111540,4111540,17955463>ROLESTAGE<1;688733;1;reactant>STAGE<2;75774;1;reactant>STAGE<1;4111540;1;reagent>STAGE<2;17955463;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<250>ISM<"[CH3][Ge:2]([CH3:4])([CH3:5])[CH2:1][Ge:3]([CH3])([CH3:6])[CH3:7]>[NH4][Cl].[OH][S](=[O])(=[O])[OH]>[CH3:4][Ge:2]([CH3:5])([Cl])[CH2:1][Ge:3]([CH3:6])([CH3:7])[Cl]">CAN<103:123617>NUM<0002>SEQ<0001>COMPRN<999939,12125029,7664939,98187509>ROLESTAGE<0;999939;1;reactant>STAGE<0;12125029;1;reagent>STAGE<0;7664939;1;solvent>STAGE<0;98187509;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<251>ISM<"[CH3:4][Ge:2]([CH3:5])([Cl])[CH2:1][Ge:3]([CH3:6])([CH3:7])[Cl].[CH3:11][Ge:9]([CH3:12])([Cl])[CH2:8][Ge:10]([CH3:13])([CH3:14])[Cl].[CH3:18][Ge:16]([CH3:19])([Cl])[CH2:15][Ge:17]([CH3:20])([CH3:21])[Cl].[CH3:25][Ge:23]([CH3:26])([Cl])[CH2:22][Ge:24]([CH3:27])([CH3:28])[Cl].[CH3:32][Ge:30]([CH3:33])([Cl])[CH2:29][Ge:31]([CH3:34])([CH3:35])[Cl].[CH3:39][Ge:37]([CH3:40])([Cl])[CH2:36][Ge:38]([CH3:41])([CH3:42])[Cl].[CH3:46][Ge:44]([CH3:47])([Cl])[CH2:43][Ge:45]([CH3:48])([CH3:49])[Cl]>[Li][S][Li].[Li][S][Li]>[CH3:4][Ge:2]1([CH3:5])[S][Ge:3]([CH3:6])([CH3:7])[S][Ge]([CH3])([CH3])[S]1.[CH3:11][Ge:9]1([CH3:12])[CH2:1][Ge:10]([CH3:13])([CH3:14])[CH2:8]1.[CH3:18][Ge:16]1([CH3:19])[CH2:15][Ge:17]([CH3:20])([CH3:21])[S]1.[CH3:25][Ge:23]1([CH3:26])[CH2][Ge]([CH3])([CH3])[S][Ge:24]([CH3:27])([CH3:28])[CH2:22]1.[CH3:32][Ge:30]1([CH3:33])[CH2:29][Ge:31]([CH3:34])([CH3:35])[S][Ge]([CH3])([CH3])[S]1.[CH3:39][Ge:37]1([CH3:40])[CH2:36][Ge:38]([CH3:42])([CH3:41])[S][Ge:45]([CH3:49])([CH3:48])[CH2:43][Ge:44]([CH3:47])([CH3:46])[S]1">CAN<103:123617>NUM<0003>SEQ<0001>COMPRN<98187509,98187509,98187509,98187509,98187509,98187509,98187509,1313822,1313822,16090543,24329462,98187510,98187521,98187532,98187543>ROLESTAGE<0;98187509;7;reactant>STAGE<0;1313822;1;reagent>STAGE<0;1313822;1;solvent>STAGE<0;16090543;1;product>STAGE<0;24329462;1;product>STAGE<0;98187510;1;product>STAGE<0;98187521;1;product>STAGE<0;98187532;1;product>STAGE<0;98187543;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<268>ISM<"[O:8]#[C:3][52Cr:1]([C:6]#[O:11])([C:5]#[O:10])([C:4]#[O:9])([C:2]#[O:7])[O]1[CH2][CH2][CH2][CH2]1.[PH2:13][N:12]([CH:15]1[CH2:19][CH2:23][CH2:25][CH2:22][CH2:18]1)[CH:14]2[CH2:16][CH2:20][CH2:24][CH2:21][CH2:17]2>[CH2]1[CH2][CH2][O][CH2]1>[O:11]#[C:6][52Cr:1]([PH2:13][N:12]([CH:15]1[CH2:19][CH2:23][CH2:25][CH2:22][CH2:18]1)[CH:14]2[CH2:17][CH2:21][CH2:24][CH2:20][CH2:16]2)([C:5]#[O:10])([C:4]#[O:9])([C:3]#[O:8])[C:2]#[O:7]">CAN<103:123614>NUM<0004>SEQ<0001>COMPRN<15038412,93583234,109999,93492978>ROLESTAGE<0;15038412;1;reactant>STAGE<0;93583234;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;93492978;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<269>ISM<"[O:8]#[C:3][184W:1]([C:6]#[O:11])([C:5]#[O:10])([C:4]#[O:9])([C:2]#[O:7])[O]1[CH2][CH2][CH2][CH2]1.[PH2:13][N:12]([CH:15]1[CH2:19][CH2:23][CH2:25][CH2:22][CH2:18]1)[CH:14]2[CH2:16][CH2:20][CH2:24][CH2:21][CH2:17]2>[CH2]1[CH2][CH2][O][CH2]1>[O:11]#[C:6][184W:1]([PH2:13][N:12]([CH:15]1[CH2:19][CH2:23][CH2:25][CH2:22][CH2:18]1)[CH:14]2[CH2:17][CH2:21][CH2:24][CH2:20][CH2:16]2)([C:5]#[O:10])([C:4]#[O:9])([C:3]#[O:8])[C:2]#[O:7]">CAN<103:123614>NUM<0005>SEQ<0001>COMPRN<36477755,93583234,109999,93492989>ROLESTAGE<0;36477755;1;reactant>STAGE<0;93583234;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;93492989;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<270>ISM<"[O]=[C-2]1[56Fe+3:3]23([C:1]#[O:2])([C:5]#[O:8])([C:4]#[O:7])[C-2](=[O])[56Fe+3]13([C]#[O])([C]#[O])([C]#[O])[C-2:6]2=[O:9].[PH2:11][N:10]([CH:13]1[CH2:17][CH2:21][CH2:23][CH2:20][CH2:16]1)[CH:12]2[CH2:14][CH2:18][CH2:22][CH2:19][CH2:15]2>[CH2]1[CH2][CH2][O][CH2]1>[O:8]#[C:5][56Fe:3]([PH2:11][N:10]([CH:13]1[CH2:16][CH2:20][CH2:23][CH2:21][CH2:17]1)[CH:12]2[CH2:14][CH2:18][CH2:22][CH2:19][CH2:15]2)([C:4]#[O:7])([C:1]#[O:2])[C:6]#[O:9]">CAN<103:123614>NUM<0006>SEQ<0001>COMPRN<15321514,93583234,109999,94152553>ROLESTAGE<0;15321514;1;reactant>STAGE<0;93583234;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;94152553;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<271>ISM<"[O:8]#[C:3][52Cr:1]([C:6]#[O:11])([C:5]#[O:10])([C:4]#[O:9])([C:2]#[O:7])[O]1[CH2][CH2][CH2][CH2]1.[CH3:16][C:14]1([CH3:17])[CH2:18][CH2:22][CH2:21][C:15]([CH3:19])([CH3:20])[N:13]1[PH2:12]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:20][C:15]1([CH3:19])[CH2:21][CH2:22][CH2:18][C:14]([CH3:17])([CH3:16])[N:13]1[PH2:12][52Cr:1]([C:5]#[O:10])([C:6]#[O:11])([C:4]#[O:9])([C:3]#[O:8])[C:2]#[O:7]">CAN<103:123614>NUM<0007>SEQ<0001>COMPRN<15038412,93583245,109999,97704717>ROLESTAGE<0;15038412;1;reactant>STAGE<0;93583245;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97704717;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<272>ISM<"[O:8]#[C:3][184W:1]([C:6]#[O:11])([C:5]#[O:10])([C:4]#[O:9])([C:2]#[O:7])[O]1[CH2][CH2][CH2][CH2]1.[CH3:16][C:14]1([CH3:17])[CH2:18][CH2:22][CH2:21][C:15]([CH3:19])([CH3:20])[N:13]1[PH2:12]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:20][C:15]1([CH3:19])[CH2:21][CH2:22][CH2:18][C:14]([CH3:17])([CH3:16])[N:13]1[PH2:12][184W:1]([C:5]#[O:10])([C:6]#[O:11])([C:4]#[O:9])([C:3]#[O:8])[C:2]#[O:7]">CAN<103:123614>NUM<0008>SEQ<0001>COMPRN<36477755,93583245,109999,97704728>ROLESTAGE<0;36477755;1;reactant>STAGE<0;93583245;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97704728;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<273>ISM<"[CH3:19][CH:15]([CH3:18])[N:8]([CH:14]([CH3:17])[CH3:16])[P:2]([Cl])([Cl])[52Cr:1]([C:3]#[O:9])([C:7]#[O:13])([C:4]#[O:10])([C:5]#[O:11])[C:6]#[O:12]>[7LiH+].[H-][27Al+3]([H-])([H-])[H-].[CH2]1[CH2][CH2][O][CH2]1>[CH3:19][CH:15]([CH3:18])[N:8]([PH2:2][52Cr:1]([C:4]#[O:10])([C:7]#[O:13])([C:3]#[O:9])([C:5]#[O:11])[C:6]#[O:12])[CH:14]([CH3:17])[CH3:16]">CAN<103:123614>NUM<0009>SEQ<0001>COMPRN<97704751,16853853,16853853,109999,97704739>ROLESTAGE<0;97704751;1;reactant>STAGE<0;16853853;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;97704739;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<274>ISM<"[CH3:19][CH:15]([CH3:18])[N:8]([CH:14]([CH3:17])[CH3:16])[P:2]([Cl])([Cl])[184W:1]([C:3]#[O:9])([C:7]#[O:13])([C:4]#[O:10])([C:5]#[O:11])[C:6]#[O:12]>[7LiH+].[H-][27Al+3]([H-])([H-])[H-].[CH2]1[CH2][CH2][O][CH2]1>[CH3:19][CH:15]([CH3:18])[N:8]([PH2:2][184W:1]([C:4]#[O:10])([C:7]#[O:13])([C:3]#[O:9])([C:5]#[O:11])[C:6]#[O:12])[CH:14]([CH3:17])[CH3:16]">CAN<103:123614>NUM<0010>SEQ<0001>COMPRN<97704762,16853853,16853853,109999,97704740>ROLESTAGE<0;97704762;1;reactant>STAGE<0;16853853;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;97704740;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<275>ISM<"[CH3:5][CH:2]([CH3:6])[N:1]([CH:3]([CH3:7])[CH3:8])[P:4]([Cl:9])[Cl:10].[O:18]#[C:13][52Cr:11]([C:16]#[O:21])([C:15]#[O:20])([C:14]#[O:19])([C:12]#[O:17])[O]1[CH2][CH2][CH2][CH2]1>[CH2]1[CH2][CH2][O][CH2]1>[CH3:8][CH:3]([CH3:7])[N:1]([CH:2]([CH3:6])[CH3:5])[P:4]([Cl:10])([Cl:9])[52Cr:11]([C:12]#[O:17])([C:16]#[O:21])([C:13]#[O:18])([C:14]#[O:19])[C:15]#[O:20]">CAN<103:123614>NUM<0011>SEQ<0001>COMPRN<921266,15038412,109999,97704751>ROLESTAGE<0;921266;1;reactant>STAGE<0;15038412;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97704751;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<276>ISM<"[CH3:5][CH:2]([CH3:6])[N:1]([CH:3]([CH3:7])[CH3:8])[P:4]([Cl:9])[Cl:10].[O:18]#[C:13][184W:11]([C:16]#[O:21])([C:15]#[O:20])([C:14]#[O:19])([C:12]#[O:17])[O]1[CH2][CH2][CH2][CH2]1>[CH2]1[CH2][CH2][O][CH2]1>[CH3:8][CH:3]([CH3:7])[N:1]([CH:2]([CH3:6])[CH3:5])[P:4]([Cl:10])([Cl:9])[184W:11]([C:12]#[O:17])([C:16]#[O:21])([C:13]#[O:18])([C:14]#[O:19])[C:15]#[O:20]">CAN<103:123614>NUM<0012>SEQ<0001>COMPRN<921266,36477755,109999,97704762>ROLESTAGE<0;921266;1;reactant>STAGE<0;36477755;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;97704762;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<277>ISM<"[CH2:1]1[CH2:2][CH2:4][O:5][CH2:3]1.[O:12]#[C:7][52Cr:6]([C]#[O])([C:8]#[O:13])([C:9]#[O:14])([C:10]#[O:15])[C:11]#[O:16]>[CH2]1[CH2][CH2][O][CH2]1>[O:13]#[C:8][52Cr:6]([C:11]#[O:16])([C:10]#[O:15])([C:9]#[O:14])([C:7]#[O:12])[O:5]1[CH2:4][CH2:2][CH2:1][CH2:3]1">CAN<103:123614>NUM<0016>SEQ<0001>COMPRN<109999,13007926,109999,15038412>ROLESTAGE<0;109999;1;reactant>STAGE<0;13007926;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;15038412;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<278>ISM<"[CH2:1]1[CH2:2][CH2:4][O:5][CH2:3]1.[O:12]#[C:7][184W:6]([C]#[O])([C:8]#[O:13])([C:9]#[O:14])([C:10]#[O:15])[C:11]#[O:16]>[CH2]1[CH2][CH2][O][CH2]1>[O:13]#[C:8][184W:6]([C:11]#[O:16])([C:10]#[O:15])([C:9]#[O:14])([C:7]#[O:12])[O:5]1[CH2:4][CH2:2][CH2:1][CH2:3]1">CAN<103:123614>NUM<0017>SEQ<0001>COMPRN<109999,14040110,109999,36477755>ROLESTAGE<0;109999;1;reactant>STAGE<0;14040110;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;36477755;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<279>ISM<"[CH3:2][CH:1]([CH3:3])[Br].[CH3:5][CH:4]([CH3:6])[Br].[CH3:8][CH:7]([CH3:9])[Br]>[24Mg].[Cl][P](=[O])([Cl])[Cl].[CH2]1[CH2][CH2][O][CH2]1.[CH3][CH2][O][CH2][CH3]>[CH3:8][CH:7]([CH3:9])[P](=[O])([CH:4]([CH3:5])[CH3:6])[CH:1]([CH3:2])[CH3:3]">CAN<103:123613>NUM<0004>SEQ<0001>COMPRN<75263,75263,75263,7439954,10025873,109999,60297,17513585>ROLESTAGE<0;75263;3;reactant>STAGE<0;7439954;1;reagent>STAGE<0;10025873;1;reagent>STAGE<0;60297;1;solvent>STAGE<0;109999;1;solvent>STAGE<0;17513585;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<291>ISM<"[O-][Cl](=[O])(=[O])=[O].[O]=[C]([CH2][S][c:6]1[o:14][c:15]([n:7][c:2]1[P+:1]([c:5]2[cH:12][cH:20][cH:25][cH:21][cH:13]2)([c:4]3[cH:10][cH:18][cH:24][cH:19][cH:11]3)[c:3]4[cH:8][cH:16][cH:23][cH:17][cH:9]4)[c:22]5[cH:27][cH:29][cH:30][cH:28][cH:26]5)[c]6[cH][cH][cH][cH][cH]6.[Li].[CH3][OH]>[CH3][OH].[OH2]>[O]=[C:6]1[O:14][C:15](=[N:7][C:2]1=[P:1]([c:5]2[cH:12][cH:20][cH:25][cH:21][cH:13]2)([c:4]3[cH:10][cH:18][cH:24][cH:19][cH:11]3)[c:3]4[cH:8][cH:16][cH:23][cH:17][cH:9]4)[c:22]5[cH:26][cH:28][cH:30][cH:29][cH:27]5">CAN<103:123608>NUM<0002>SEQ<0001>COMPRN<14797730,98184328,124414,124414,67561,7732185,98184340>ROLESTAGE<0;124414;1;reactant>STAGE<0;98184339;1;reactant>STAGE<0;67561;1;solvent>STAGE<0;7732185;1;solvent>STAGE<0;98184340;1;product>MCOMPRN<98184339;124414;1>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<292>ISM<"[CH3:1][127I].[O:16]=[C:8]1[O:17][C:15](=[N:7][C:3]1=[P:2]([c:6]2[cH:13][cH:22][cH:27][cH:23][cH:14]2)([c:5]3[cH:11][cH:20][cH:26][cH:21][cH:12]3)[c:4]4[cH:9][cH:18][cH:25][cH:19][cH:10]4)[c:24]5[cH:28][cH:30][cH:32][cH:31][cH:29]5>[CH3][OH]>[127I-].[CH3:1][C:3]1([N:7]=[C:15]([O:17][C:8]1=[O:16])[c:24]2[cH:28][cH:30][cH:32][cH:31][cH:29]2)[P+:2]([c:6]3[cH:13][cH:22][cH:27][cH:23][cH:14]3)([c:5]4[cH:12][cH:21][cH:26][cH:20][cH:11]4)[c:4]5[cH:10][cH:19][cH:25][cH:18][cH:9]5">CAN<103:123608>NUM<0003>SEQ<0001>COMPRN<74884,98184340,67561,98184351,98184351>ROLESTAGE<0;74884;1;reactant>STAGE<0;98184340;1;reactant>STAGE<0;67561;1;solvent>STAGE<0;98184351;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<294>ISM<"[O-][Cl](=[O])(=[O])=[O].[O]=[C]([CH2][S][c:6]1[o:14][c:15]([n:7][c:2]1[P+:1]([c:5]2[cH:12][cH:20][cH:25][cH:21][cH:13]2)([c:4]3[cH:10][cH:18][cH:24][cH:19][cH:11]3)[c:3]4[cH:8][cH:16][cH:23][cH:17][cH:9]4)[c:22]5[cH:27][cH:29][cH:30][cH:28][cH:26]5)[c]6[cH][cH][cH][cH][cH]6.[Li].[CH3][OH]>[CH3][OH]>[O]=[c:6]1[o:14][c:15]([n:7][c-:2]1[P+:1]([c:3]2[cH:8][cH:16][cH:23][cH:17][cH:9]2)([c:4]3[cH:11][cH:19][cH:24][cH:18][cH:10]3)[c:5]4[cH:12][cH:20][cH:25][cH:21][cH:13]4)[c:22]5[cH:27][cH:29][cH:30][cH:28][cH:26]5">CAN<103:123608>NUM<0006>SEQ<0001>COMPRN<14797730,98184328,124414,124414,67561,98184362>ROLESTAGE<0;124414;1;reactant>STAGE<0;98184339;1;reactant>STAGE<0;67561;1;solvent>STAGE<0;98184362;1;product>MCOMPRN<98184339;124414;1>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<295>ISM<"[CH3:1][127I].[O:16]=[c:8]1[o:17][c:15]([n:7][c-:3]1[P+:2]([c:4]2[cH:9][cH:18][cH:25][cH:19][cH:10]2)([c:5]3[cH:12][cH:21][cH:26][cH:20][cH:11]3)[c:6]4[cH:13][cH:22][cH:27][cH:23][cH:14]4)[c:24]5[cH:29][cH:31][cH:32][cH:30][cH:28]5>>[127I-].[CH3:1][C:3]1([N:7]=[C:15]([O:17][C:8]1=[O:16])[c:24]2[cH:28][cH:30][cH:32][cH:31][cH:29]2)[P+:2]([c:6]3[cH:13][cH:22][cH:27][cH:23][cH:14]3)([c:5]4[cH:12][cH:21][cH:26][cH:20][cH:11]4)[c:4]5[cH:10][cH:19][cH:25][cH:18][cH:9]5">CAN<103:123608>NUM<0006>SEQ<0002>COMPRN<74884,98184362,98184351,98184351>ROLESTAGE<0;74884;1;reactant>STAGE<0;98184362;1;reactant>STAGE<0;98184351;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<314>ISM<"[NH2:11][c:6]1[cH:12][cH:17][cH:13][cH:7][c:3]1[P:1]([CH2:2][CH2:5][CH2:10][P:16]([c:20]2[cH:24][cH:29][cH:31][cH:28][cH:23]2)[c:19]3[cH:22][cH:27][cH:30][cH:26][c:21]3[NH2:25])[c:4]4[cH:9][cH:15][cH:18][cH:14][cH:8]4>[Cl-][195Pt+2]([Cl-])([N]#[C][c]1[cH][cH][cH][cH][cH]1)[N]#[C][c]2[cH][cH][cH][cH][cH]2.[CH3][OH].[Cl][CH2][Cl]>[OH2].[Cl-].[NH2:25][c:21]1[cH:26][cH:30][cH:27][cH:22][c:19]1[P:16]2([CH2:10][CH2:5][CH2:2][P:1]3([c:3]4[cH:7][cH:13][cH:17][cH:12][c:6]4[NH2:11][195Pt+2]32[Cl-])[c:4]5[cH:9][cH:15][cH:18][cH:14][cH:8]5)[c:20]6[cH:24][cH:29][cH:31][cH:28][cH:23]6">CAN<103:123602>NUM<0012>SEQ<0002>COMPRN<98238289,14873633,67561,75092,98161116,98161116,98161116>ROLESTAGE<0;98238289;1;reactant>STAGE<0;14873633;1;reagent>STAGE<0;67561;1;solvent>STAGE<0;75092;1;solvent>STAGE<0;98161116;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<315>ISM<"[NH2][c]1[cH][cH][cH][cH][c]1[P:1]([CH2:2][CH2:4][CH2:7][P:10]([c:12]2[cH:14][cH:16][cH:17][cH:15][cH:13]2)[c]3[cH][cH][cH][cH][c]3[NH2])[c:3]4[cH:6][cH:9][cH:11][cH:8][cH:5]4.[CH3][S](=[O])([CH3])[195Pt+2]([Cl-])([Cl-:18])[S](=[O])([CH3])[CH3]>[CH3][OH].[Cl][CH2][Cl]>[Cl-:18].[CH2:4]1[CH2:2][P:1]2([c]3[cH][cH][cH][cH][c]3[NH2][195Pt+2]42[NH2][c]5[cH][cH][cH][cH][c]5[P:10]4([CH2:7]1)[c:12]6[cH:13][cH:15][cH:17][cH:16][cH:14]6)[c:3]7[cH:6][cH:9][cH:11][cH:8][cH:5]7">CAN<103:123602>NUM<0013>SEQ<0001>COMPRN<98254332,15274336,67561,75092,98161434,98161434>ROLESTAGE<0;15274336;1;reactant>STAGE<0;98254332;1;reactant>STAGE<0;67561;1;solvent>STAGE<0;75092;1;solvent>STAGE<0;98161434;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<316>ISM<"[NH2][c]1[cH][cH][cH][cH][c]1[P:1]([CH2:2][CH2:4][CH2:7][P:10]([c:12]2[cH:14][cH:16][cH:17][cH:15][cH:13]2)[c]3[cH][cH][cH][cH][c]3[NH2])[c:3]4[cH:6][cH:9][cH:11][cH:8][cH:5]4.[Cl-][195Pt+2]([Cl-:18])([N]#[C][c]1[cH][cH][cH][cH][cH]1)[N]#[C][c]2[cH][cH][cH][cH][cH]2>[CH3][OH].[Cl][CH2][Cl]>[Cl-:18].[CH2:4]1[CH2:2][P:1]2([c]3[cH][cH][cH][cH][c]3[NH2][195Pt+2]42[NH2][c]5[cH][cH][cH][cH][c]5[P:10]4([CH2:7]1)[c:12]6[cH:13][cH:15][cH:17][cH:16][cH:14]6)[c:3]7[cH:6][cH:9][cH:11][cH:8][cH:5]7">CAN<103:123602>NUM<0013>SEQ<0002>COMPRN<98254332,14873633,67561,75092,98161434,98161434>ROLESTAGE<0;14873633;1;reactant>STAGE<0;98254332;1;reactant>STAGE<0;67561;1;solvent>STAGE<0;75092;1;solvent>STAGE<0;98161434;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<317>ISM<"[NH2:11][c:6]1[cH:12][cH:17][cH:13][cH:7][c:3]1[P:1]([CH2:2][CH2:5][CH2:10][P:16]([c:20]2[cH:24][cH:29][cH:31][cH:28][cH:23]2)[c:19]3[cH:22][cH:27][cH:30][cH:26][c:21]3[NH2:25])[c:4]4[cH:9][cH:15][cH:18][cH:14][cH:8]4.[NH2][c]1[cH][cH][cH][cH][c]1[P]([CH2][CH2][CH2][P]([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][c]3[NH2])[c]4[cH][cH][cH][cH][cH]4.[OH2].[58Ni:32].[OH][N](=[O])=[O]>[CH3][CH2][OH].[OH2]>[O-][N](=[O])=[O].[CH2:5]1[CH2:2][P:1]2([c:19]3[cH:22][cH:27][cH:30][cH:26][c:21]3[NH2:25][58Ni+2:32]42[NH2:11][c:6]5[cH:12][cH:17][cH:13][cH:7][c:3]5[P:16]4([CH2:10]1)[c:20]6[cH:23][cH:28][cH:31][cH:29][cH:24]6)[c:4]7[cH:8][cH:14][cH:18][cH:15][cH:9]7">CAN<103:123602>NUM<0015>SEQ<0001>COMPRN<98254332,98238289,13478007,13478007,13478007,64175,7732185,14797558,98161445>ROLESTAGE<0;13478007;1;reactant>STAGE<0;98238289;1;reactant>STAGE<0;98254332;1;reactant>STAGE<0;64175;1;solvent>STAGE<0;7732185;1;solvent>STAGE<0;98161456;1;product>MCOMPRN<98161456;14797558;1>MCOMPRN<98161456;98161445;1>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<318>ISM<"[O-][N](=[O])=[O].[CH2:15]1[CH2:7][P:2]2([c:6]3[cH:14][cH:23][cH:30][cH:22][c:13]3[NH2:5][58Ni+2:1]42[NH2:4][c:12]5[cH:21][cH:29][cH:26][cH:18][c:9]5[P:3]4([CH2:10]1)[c:11]6[cH:19][cH:27][cH:32][cH:28][cH:20]6)[c:8]7[cH:16][cH:24][cH:31][cH:25][cH:17]7>>[CH2:15]1[CH2:7][P:2]2([c:6]3[cH:14][cH:23][cH:30][cH:22][c:13]3[NH-:5][58Ni+2:1]42[NH-:4][c:12]5[cH:21][cH:29][cH:26][cH:18][c:9]5[P:3]4([CH2:10]1)[c:11]6[cH:19][cH:27][cH:32][cH:28][cH:20]6)[c:8]7[cH:16][cH:24][cH:31][cH:25][cH:17]7">CAN<103:123602>NUM<0015>SEQ<0002>COMPRN<14797558,98161445,98183483>ROLESTAGE<0;98161456;1;reactant>STAGE<0;98183483;1;product>MCOMPRN<98161456;14797558;1>MCOMPRN<98161456;98161445;1>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<319>ISM<"[CH2:14]1[CH2:6][P:1]2([c:5]3[cH:13][cH:22][cH:29][cH:21][c:12]3[NH-:4][58Ni+2]42[NH-:3][c:11]5[cH:20][cH:28][cH:25][cH:17][c:8]5[P:2]4([CH2:9]1)[c:10]6[cH:18][cH:26][cH:31][cH:27][cH:19]6)[c:7]7[cH:15][cH:23][cH:30][cH:24][cH:16]7>[C-]#[N].[OH2]>[NH2:4][c:12]1[cH:21][cH:29][cH:22][cH:13][c:5]1[P:1]([CH2:6][CH2:14][CH2:9][P:2]([c:10]2[cH:19][cH:27][cH:31][cH:26][cH:18]2)[c:8]3[cH:17][cH:25][cH:28][cH:20][c:11]3[NH2:3])[c:7]4[cH:16][cH:24][cH:30][cH:23][cH:15]4">CAN<103:123602>NUM<0018>SEQ<0001>COMPRN<98183483,57125,7732185,98254332>ROLESTAGE<0;98183483;1;reactant>STAGE<0;57125;1;reagent>STAGE<0;7732185;1;solvent>STAGE<0;98254332;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<320>ISM<"[Cl-][103Rh+:1]([Cl-])([C]#[O])[C:2]#[O:3].[Cl-][103Rh+:4]([Cl-])([C]#[O])[C:5]#[O:6].[NH2:17][c:12]1[cH:18][cH:23][cH:19][cH:13][c:9]1[P:7]([CH2:8][CH2:11][CH2:16][P:22]([c:26]2[cH:30][cH:35][cH:37][cH:34][cH:29]2)[c:25]3[cH:28][cH:33][cH:36][cH:32][c:27]3[NH2:31])[c:10]4[cH:15][cH:21][cH:24][cH:20][cH:14]4.[NH2:48][c:43]1[cH:49][cH:54][cH:50][cH:44][c:40]1[P:38]([CH2:39][CH2:42][CH2:47][P:53]([c:57]2[cH:61][cH:66][cH:68][cH:65][cH:60]2)[c:56]3[cH:59][cH:64][cH:67][cH:63][c:58]3[NH2:62])[c:41]4[cH:46][cH:52][cH:55][cH:51][cH:45]4>>[Cl-].[NH2:62][c:58]1[cH:63][cH:67][cH:64][cH:59][c:56]1[P:53]2([CH2:47][CH2:42][CH2:39][P:38]3([c:40]4[cH:44][cH:50][cH:54][cH:49][c:43]4[NH2:48][103Rh+:1]3([C:2]#[O:3])[P:7]([CH2:8][CH2:11][CH2:16][P:22]5([c:25]6[cH:28][cH:33][cH:36][cH:32][c:27]6[NH2:31][103Rh+:4]52[C:5]#[O:6])[c:26]7[cH:30][cH:35][cH:37][cH:34][cH:29]7)([c:10]8[cH:15][cH:21][cH:24][cH:20][cH:14]8)[c:9]9[cH:13][cH:19][cH:23][cH:18][c:12]9[NH2:17])[c:41]%10[cH:45][cH:51][cH:55][cH:52][cH:46]%10)[c:57]%11[cH:60][cH:65][cH:68][cH:66][cH:61]%11">CAN<103:123602>NUM<0021>SEQ<0001>COMPRN<15550002,15550002,98238289,98254332,98161092,98161092>ROLESTAGE<0;15550002;2;reactant>STAGE<0;98238289;1;reactant>STAGE<0;98254332;1;reactant>STAGE<0;98161092;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<321>ISM<"[Cl-].[NH2:56][c:47]1[cH:57][cH:65][cH:58][cH:48][c:41]1[P:35]2([CH2:25][CH2:15][CH2:8][P:4]3([c:7]4[cH:14][cH:24][cH:34][cH:23][c:13]4[NH2:6][103Rh+:3]3([C:1]#[O:2])[P:5]([CH2:10][CH2:18][CH2:28][P:37]5([c:43]6[cH:52][cH:62][cH:67][cH:61][c:51]6[NH2:46][103Rh+:40]52[C:45]#[O:55])[c:44]7[cH:54][cH:64][cH:68][cH:63][cH:53]7)([c:12]8[cH:22][cH:33][cH:39][cH:32][cH:21]8)[c:11]9[cH:20][cH:31][cH:38][cH:30][c:19]9[NH2:29])[c:9]%10[cH:16][cH:26][cH:36][cH:27][cH:17]%10)[c:42]%11[cH:49][cH:59][cH:66][cH:60][cH:50]%11>>[OH2].[NH2:56][c:47]1[cH:57][cH:65][cH:58][cH:48][c:41]1[P:35]2([CH2:25][CH2:15][CH2:8][P:4]3([c:7]4[cH:14][cH:24][cH:34][cH:23][c:13]4[NH-:6][103Rh+:3]3([C:1]#[O:2])[P:5]([CH2:10][CH2:18][CH2:28][P:37]5([c:43]6[cH:52][cH:62][cH:67][cH:61][c:51]6[NH-:46][103Rh+:40]52[C:45]#[O:55])[c:44]7[cH:54][cH:64][cH:68][cH:63][cH:53]7)([c:12]8[cH:22][cH:33][cH:39][cH:32][cH:21]8)[c:11]9[cH:20][cH:31][cH:38][cH:30][c:19]9[NH2:29])[c:9]%10[cH:16][cH:26][cH:36][cH:27][cH:17]%10)[c:42]%11[cH:49][cH:59][cH:66][cH:60][cH:50]%11">CAN<103:123602>NUM<0022>SEQ<0001>COMPRN<98161092,98161092,98161081,98161081>ROLESTAGE<0;98161092;1;reactant>STAGE<0;98161081;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<322>ISM<"[CH3:6][N:2]([CH3:7])[P:1]([Cl:5])([Cl])([N:3]([CH3:8])[CH3])[N:4]([CH3:9])[CH3:10].[CH3:16][N:12]([CH3:17])[P:11]([Cl:15])([Cl])([N:13]([CH3:18])[CH3])[N:14]([CH3:19])[CH3:20]>>[CH3:20][N:14]([CH3:19])[P:11]1([Cl:15])([N:12]([CH3:17])[CH3:16])[N:13]([CH3:18])[P:1]([Cl:5])([N:2]([CH3:6])[CH3:7])([N:4]([CH3:10])[CH3:9])[N:3]1[CH3:8]">CAN<103:123599>NUM<0001>SEQ<0001>COMPRN<16490496,16490496,98058732>ROLESTAGE<0;16490496;2;reactant>STAGE<0;98058732;1;product>NOTES<"THERMAL, IN VACUO">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<356>ISM<"[CH3:3][C:1]([CH3:4])([CH3:5])[N:2]=[O:6].[H-:12][BH2+2:8]([H-:13])[N:7]([CH3:9])([CH3:10])[CH3:11]>>[H-:12][BH+2:8]([H-:13])([N:2](=[O:6])[C:1]([CH3:3])([CH3:4])[CH3:5])[N:7]([CH3:9])([CH3:10])[CH3:11]">CAN<103:123592>NUM<0001>SEQ<0001>COMPRN<917953,98161638,98161490>ROLESTAGE<0;917953;1;reactant>STAGE<0;98161638;1;reactant>STAGE<0;98161490;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<357>ISM<"[CH3:8][C:4]([CH3:9])([CH3:10])[N:2](=[O:5])=[CH:1][c:3]1[cH:6][cH:11][cH:13][cH:12][cH:7]1.[H-:19][BH2+2:15]([H-:20])[N:14]([CH3:16])([CH3:17])[CH3:18]>>[H-:19][BH2+3:15]([H-:20])([CH-:1]([N:2]([OH:5])[C:4]([CH3:10])([CH3:9])[CH3:8])[c:3]1[cH:7][cH:12][cH:13][cH:11][cH:6]1)[N:14]([CH3:18])([CH3:16])[CH3:17]">CAN<103:123592>NUM<0001>SEQ<0002>COMPRN<3376247,98161638,98161503>ROLESTAGE<0;3376247;1;reactant>STAGE<0;98161638;1;reactant>STAGE<0;98161503;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<358>ISM<"[CH3:20][C:17]([CH3:19])([CH3:18])[c:13]1[cH:7][c:4]([c:3]([N:1]=[O:2])[c:5]([cH:9]1)[C:8]([CH3:16])([CH3:15])[CH3:14])[C:6]([CH3:11])([CH3:10])[CH3:12].[CH3:40][C:37]([CH3:39])([CH3:38])[c:33]1[cH:27][c:24]([c:23]([N:21]=[O:22])[c:25]([cH:29]1)[C:28]([CH3:36])([CH3:35])[CH3:34])[C:26]([CH3:31])([CH3:30])[CH3:32].[H-:46][BH2+2:42]([H-:47])[N:41]([CH3:43])([CH3:44])[CH3:45].[H-:53][BH2+2:49]([H-:54])[N:48]([CH3:50])([CH3:51])[CH3:52]>>[H-:47][BH+2:42]([H-:46])([N:21](=[O:22])[c:23]1[c:25]([cH:29][c:33]([cH:27][c:24]1[C:26]([CH3:32])([CH3:31])[CH3:30])[C:37]([CH3:39])([CH3:40])[CH3:38])[C:28]([CH3:36])([CH3:34])[CH3:35])[N:41]([CH3:43])([CH3:44])[CH3:45].[H-:53][BH+2:49]([H-:54])([O:2]=[N:1][c:3]1[c:5]([cH:9][c:13]([cH:7][c:4]1[C:6]([CH3:12])([CH3:11])[CH3:10])[C:17]([CH3:19])([CH3:18])[CH3:20])[C:8]([CH3:16])([CH3:15])[CH3:14])[N:48]([CH3:50])([CH3:51])[CH3:52]">CAN<103:123592>NUM<0001>SEQ<0003>COMPRN<24973599,24973599,98161638,98161638,98161514,98183507>ROLESTAGE<0;24973599;2;reactant>STAGE<0;98161638;2;reactant>STAGE<0;98161514;1;product>STAGE<0;98183507;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<359>ISM<"[CH3:3][C:1]([CH3:4])([CH3:5])[N:2]=[O:6].[2H-:12][BH2+2:8]([2H-:13])[N:7]([CH3:9])([CH3:10])[CH3:11]>>[2H-:12][BH+2:8]([2H-:13])([N:2](=[O:6])[C:1]([CH3:3])([CH3:4])[CH3:5])[N:7]([CH3:9])([CH3:10])[CH3:11]">CAN<103:123592>NUM<0010>SEQ<0001>COMPRN<917953,98161525,98161536>ROLESTAGE<0;917953;1;reactant>STAGE<0;98161525;1;reactant>STAGE<0;98161536;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<360>ISM<"[CH3:3][C:1]([CH3:4])([CH3:5])[N:2]=[O:6].[H-:12][BH2+2:8]([H-:13])[N:7]([CH2:9][CH3:14])([CH2:10][CH3:15])[CH2:11][CH3:16]>>[H-:13][BH+2:8]([H-:12])([N:2](=[O:6])[C:1]([CH3:3])([CH3:4])[CH3:5])[N:7]([CH2:9][CH3:14])([CH2:10][CH3:15])[CH2:11][CH3:16]">CAN<103:123592>NUM<0012>SEQ<0001>COMPRN<917953,88746207,98161547>ROLESTAGE<0;917953;1;reactant>STAGE<0;88746207;1;reactant>STAGE<0;98161547;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Error converting TDT: $RXNID<361>ISM<"[CH3:3][C:1]([CH3:4])([CH3:5])[N:2]=[O:6].[H-:8][BH2+2:7]([H-:9])[n]1[cH][cH][cH][cH][cH]1>>[H-:9][BH+2:7]([H-:8])([N:2](=[O:6])[C:1]([CH3:3])([CH3:4])[CH3:5])[N]([CH2][CH3])([CH2][CH3])[CH2][CH3]">CAN<103:123592>NUM<0014>SEQ<0001>COMPRN<917953,98161558,98161547>ROLESTAGE<0;917953;1;reactant>STAGE<0;98161558;1;reactant>STAGE<0;98161547;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) ERROR: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) (dy_thor_standard_id) Warning converting TDT: $RXNID<362>ISM<"[CH3:3][C:1]([CH3:4])([CH3:5])[N:2]=[O:6].[H-:12][BH2+2:8]([H-:13])[N:7]([CH2:10][CH3:16])([CH2:11][CH3:17])[CH:9]([CH3:14])[CH3:15]>>[H-:13][BH+2:8]([H-:12])([N:2](=[O:6])[C:1]([CH3:3])([CH3:4])[CH3:5])[N:7]([CH2:10][CH3:16])([CH2:11][CH3:17])[CH:9]([CH3:14])[CH3:15]">CAN<103:123592>NUM<0016>SEQ<0001>COMPRN<917953,98161570,98161581>ROLESTAGE<0;917953;1;reactant>STAGE<0;98161570;1;reactant>STAGE<0;98161581;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<363>ISM<"[CH3:3][C:1]([CH3:4])([CH3:5])[N:2]=[O:6].[H-:15][BH2+2:10]([H-:16])[N:8]([CH3:11])([CH3:12])[CH2:7][c:9]1[cH:13][cH:17][cH:19][cH:18][cH:14]1>>[H-:15][BH+2:10]([H-:16])([N:2](=[O:6])[C:1]([CH3:4])([CH3:3])[CH3:5])[N:8]([CH3:12])([CH3:11])[CH2:7][c:9]1[cH:13][cH:17][cH:19][cH:18][cH:14]1">CAN<103:123592>NUM<0018>SEQ<0001>COMPRN<917953,98161592,98161605>ROLESTAGE<0;917953;1;reactant>STAGE<0;98161592;1;reactant>STAGE<0;98161605;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<364>ISM<"[CH3:3][C:1]([CH3:4])([CH3:5])[N:2]=[O:6].[H-:8][BH2+2:7]([H-:9])[N:10]1([CH3:11])[CH2:12][CH2:14][CH2:15][CH2:13]1>>[H-:8][BH+2:7]([H-:9])([N:2](=[O:6])[C:1]([CH3:4])([CH3:5])[CH3:3])[N:10]1([CH3:11])[CH2:12][CH2:14][CH2:15][CH2:13]1">CAN<103:123592>NUM<0020>SEQ<0001>COMPRN<917953,98161616,98161627>ROLESTAGE<0;917953;1;reactant>STAGE<0;98161616;1;reactant>STAGE<0;98161627;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<365>ISM<"[CH3:3][C:1]([CH3:4])([CH3:5])[N:2]=[O:6].[BH2:9][N:7]([CH3:10])[CH2:8][CH2:11]>>[BH2:9][N:7]([CH3:10])[CH2:8][CH2:11][N:2]([OH:6])[C:1]([CH3:3])([CH3:4])[CH3:5]">CAN<103:123592>NUM<0022>SEQ<0001>COMPRN<917953,98235780,98235791>ROLESTAGE<0;917953;1;reactant>STAGE<0;98235780;1;reactant>STAGE<0;98235791;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<483>ISM<"[CH3][CH2][CH]([C]1=[CH][CH2-][24Mg+2]([Br-])[O]1[Si]([CH3])([CH3])[CH3])[c]2[cH][cH][cH][cH][cH]2.[CH3][Si]([CH3])([CH3])[C]#[C][63Cu].[CH3][CH2][CH2][CH2][CH]1[CH2][O]1>[OH2].[CH2]1[CH2][CH2][O][CH2]1.[CH3][CH2][O][CH2][CH3].[CH3][CH2][O][CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1>[CH3][CH2][CH2][CH2][CH]([OH])[CH2][CH2][CH]=[C]([O][Si]([CH3])([CH3])[CH3])[CH]([CH2][CH3])[c]1[cH][cH][cH][cH][cH]1">CAN<103:123580>NUM<0036>SEQ<0001>COMPRN<97720735,53210132,1436346,7732185,109999,60297,60297,109999,97720893>ROLESTAGE<1;53210132;1;reactant>STAGE<1;97720735;1;reactant>STAGE<2;1436346;1;reactant>STAGE<3;7732185;1;reagent>STAGE<1;60297;1;solvent>STAGE<2;60297;1;solvent>STAGE<1;109999;1;solvent>STAGE<3;109999;1;solvent>STAGE<3;97720893;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<484>ISM<"[CH3:12][CH2:6][C:2]([OH:8])([CH:7]=[CH2:13])[Si:1]([CH3:4])([CH3:5])[C:3]([CH3:9])([CH3:10])[CH3:11].[CH3][Si]([CH3])([CH3])[C]#[C][63Cu].[O:14]=[C:15]1[CH2:16][CH2:18][CH2:20][CH:19]=[CH:17]1>[7Li][CH2][CH2][CH2][CH3].[CH3][CH2][CH2][CH2][CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1.[CH3][CH2][O][CH2][CH3].[CH3][CH2][O][CH2][CH3]>[CH3:12][CH2:6][C:2](=[CH:7][CH2:13][CH:19]1[CH2:20][CH2:18][CH2:16][C:15](=[O:14])[CH2:17]1)[O:8][Si:1]([CH3:5])([CH3:4])[C:3]([CH3:10])([CH3:9])[CH3:11]">CAN<103:123580>NUM<0039>SEQ<0001>COMPRN<97720791,53210132,930687,109728,110543,109999,60297,60297,97720906>ROLESTAGE<1;97720791;1;reactant>STAGE<3;53210132;1;reactant>STAGE<4;930687;1;reactant>STAGE<1;109728;1;reagent>STAGE<3;60297;1;solvent>STAGE<4;60297;1;solvent>STAGE<2;109999;1;solvent>STAGE<1;110543;1;solvent>STAGE<4;97720906;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<487>ISM<"[CH3][CH2][CH2][CH2][CH2][CH2][CH2][C]1=[CH][CH2-][7Li+][O]1[Si]([CH3])([CH3])[C]([CH3])([CH3])[CH3].[CH3][Si]([CH3])([CH3])[C]#[C][63Cu].[CH3][CH2][CH2][CH2][CH2][CH2][CH]1[CH2][O]1>[CH3][CH2][CH2][CH2][CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1.[CH3][CH2][O][CH2][CH3].[CH3][CH2][O][CH2][CH3]>[CH3][CH2][CH2][CH2][CH2][CH2][CH2][C](=[CH][CH2][CH2][CH]([OH])[CH2][CH2][CH2][CH2][CH2][CH3])[O][Si]([CH3])([CH3])[C]([CH3])([CH3])[CH3]">CAN<103:123580>NUM<0043>SEQ<0001>COMPRN<97720746,53210132,2984501,110543,109999,60297,60297,97720939>ROLESTAGE<1;97720746;1;reactant>STAGE<2;53210132;1;reactant>STAGE<3;2984501;1;reactant>STAGE<2;60297;1;solvent>STAGE<3;60297;1;solvent>STAGE<1;109999;1;solvent>STAGE<1;110543;1;solvent>STAGE<3;97720939;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<488>ISM<"[CH3:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:10][C:9]1=[CH:11][CH2-:12][7Li+][O:5]1[Si:1]([CH3:3])([CH3:4])[C:2]([CH3:8])([CH3:7])[CH3:6].[CH3][Si]([CH3])([CH3])[C]#[C][63Cu].[CH3:24][O:21][C:19](=[O:22])[C:20]#[CH:23]>[CH3][CH2][CH2][CH2][CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1.[CH3][CH2][O][CH2][CH3].[CH3][CH2][O][CH2][CH3]>[CH3:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:10][C:9](=[CH:11][CH2:12][CH:23]=[CH:20][C:19](=[O:22])[O:21][CH3:24])[O:5][Si:1]([CH3:3])([CH3:4])[C:2]([CH3:6])([CH3:7])[CH3:8]">CAN<103:123580>NUM<0044>SEQ<0001>COMPRN<97720746,53210132,922678,110543,109999,60297,60297,97720940>ROLESTAGE<1;97720746;1;reactant>STAGE<2;53210132;1;reactant>STAGE<3;922678;1;reactant>STAGE<2;60297;1;solvent>STAGE<3;60297;1;solvent>STAGE<1;109999;1;solvent>STAGE<1;110543;1;solvent>STAGE<3;97720940;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<489>ISM<"[O:1]=[C:2]1[CH2:3][CH2:5][CH2:7][CH:6]=[CH:4]1.[CH3:9][Si:8]([CH3:10])([CH3:11])[C]#[C][63Cu].[CH3:20][C:14]([CH3:21])([CH3:22])[Si:12]([CH3:15])([CH3:16])[C:13]([CH3:18])([OH:19])[CH:17]=[CH2:23]>[CH3][N]([CH3])[P](=[O])([N]([CH3])[CH3])[N]([CH3])[CH3].[7Li][CH2][CH2][CH2][CH3].[CH3][CH2][N]([CH2][CH3])[CH2][CH3].[CH3][Si]([CH3])([CH3])[Cl].[CH3][CH2][CH2][CH2][CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1.[CH3][CH2][O][CH2][CH3].[CH3][CH2][O][CH2][CH3]>[CH3:18][C:13](=[CH:17][CH2:23][CH:6]1[CH2:7][CH2:5][CH2:3][C:2](=[CH:4]1)[O:1][Si:8]([CH3:10])([CH3:9])[CH3:11])[O:19][Si:12]([CH3:16])([CH3:15])[C:14]([CH3:22])([CH3:21])[CH3:20]">CAN<103:123580>NUM<0048>SEQ<0001>COMPRN<930687,53210132,97720780,680319,109728,121448,75774,110543,109999,60297,60297,97731549>ROLESTAGE<1;97720780;1;reactant>STAGE<3;53210132;1;reactant>STAGE<4;930687;1;reactant>STAGE<4;75774;1;reagent>STAGE<1;109728;1;reagent>STAGE<4;121448;1;reagent>STAGE<1;680319;1;reagent>STAGE<3;60297;1;solvent>STAGE<4;60297;1;solvent>STAGE<2;109999;1;solvent>STAGE<1;110543;1;solvent>STAGE<4;97731549;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<499>ISM<"[CH3:6][CH2:3][CH:1]([C:2](=[O:5])[CH2:4][CH2:7][CH:8]1[CH2:10][CH2:12][CH2:14][C:11](=[O:13])[CH2:9]1)[c]2[cH][cH][cH][cH][cH]2>[Li].[OH][127I](=[O])(=[O])=[O].[OH2].[Cl][102Ru]([Cl])[Cl].[OH2].[CH3][C]#[N].[Cl][C]([Cl])([Cl])[Cl]>[CH3:6][CH2:3][CH2:1][C:2](=[O:5])[CH2:4][CH2:7][CH:8]1[CH2:10][CH2:12][CH2:14][C:11](=[O:13])[CH2:9]1">CAN<103:123580>NUM<0060>SEQ<0001>COMPRN<95599863,7790285,7790285,13815946,13815946,7732185,75058,56235,95599556>ROLESTAGE<0;95599863;1;reactant>STAGE<0;7790285;1;reagent>STAGE<0;13815946;1;reagent>STAGE<0;56235;1;solvent>STAGE<0;75058;1;solvent>STAGE<0;7732185;1;solvent>STAGE<0;95599556;1;product>| Error messages: WARNING: Atom has high valence 7 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<500>ISM<"[CH3:6][CH:3]([CH3:7])[CH:1]([C:2](=[O:5])[CH2:4][CH2:8][CH:9]1[CH2:11][CH2:13][CH2:15][C:12](=[O:14])[CH2:10]1)[c]2[cH][cH][cH][cH][cH]2>[Li].[OH][127I](=[O])(=[O])=[O].[OH2].[Cl][102Ru]([Cl])[Cl].[OH2].[CH3][C]#[N].[Cl][C]([Cl])([Cl])[Cl]>[CH3:7][CH:3]([CH3:6])[CH2:1][C:2](=[O:5])[CH2:4][CH2:8][CH:9]1[CH2:11][CH2:13][CH2:15][C:12](=[O:14])[CH2:10]1">CAN<103:123580>NUM<0061>SEQ<0001>COMPRN<95599545,7790285,7790285,13815946,13815946,7732185,75058,56235,95599567>ROLESTAGE<0;95599545;1;reactant>STAGE<0;7790285;1;reagent>STAGE<0;13815946;1;reagent>STAGE<0;56235;1;solvent>STAGE<0;75058;1;solvent>STAGE<0;7732185;1;solvent>STAGE<0;95599567;1;product>| Error messages: WARNING: Atom has high valence 7 (normal 1) (dy_rmbord) WARNING: Atom has high valence 7 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<501>ISM<"[CH3][O][CH:1]([O][CH3])[c:2]1[cH:3][cH:5][cH:7][cH:6][cH:4]1.[CH3:25][CH2:24][CH2:21][CH2:18][CH2:15][CH2:13][CH2:11][C:8](=[CH:10][CH2:12][CH:14]1[CH2:17][CH2:20][CH2:23][C:19](=[CH:16]1)[O:22][Si]([CH3])([CH3])[CH3])[O:9][Si]([CH3])([CH3])[C]([CH3])([CH3])[CH3]>[Cl][120Sn]([Cl])([Cl])[Cl].[Cl][CH2][Cl]>[CH3:25][CH2:24][CH2:21][CH2:18][CH2:15][CH2:13][CH2:11][C:8](=[O:9])[CH:10]1[CH2:12][CH:14]2[CH2:17][CH2:20][CH2:23][C:19](=[O:22])[CH:16]2[CH:1]1[c:2]3[cH:4][cH:6][cH:7][cH:5][cH:3]3">CAN<103:123580>NUM<0064>SEQ<0001>COMPRN<1125888,97731561,7646788,75092,97720984>ROLESTAGE<0;1125888;1;reactant>STAGE<0;97731561;1;reactant>STAGE<0;7646788;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;97720984;1;product>| Error messages: WARNING: Atom has high valence 7 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<506>ISM<"[CH3:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:10][C:9]1=[CH:11][CH2-:12][7Li+][O:5]1[Si:1]([CH3:3])([CH3:4])[C:2]([CH3:8])([CH3:7])[CH3:6]>>[7LiH+].[CH3:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:10][C:9](=[O:5])[CH-:11][CH2:12][Si:1]([CH3:3])([CH3:4])[C:2]([CH3:6])([CH3:8])[CH3:7]">CAN<103:123580>NUM<0076>SEQ<0001>COMPRN<97720746,97721034,97721034>ROLESTAGE<0;97720746;1;reactant>STAGE<0;97721034;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<507>ISM<"[CH3:6][C:4]1([CH3:7])[CH2:8][CH2:10][CH2:9][CH2:5][C:3]1=[C:1]=[O:2]>[7Li][c]1[cH][cH][cH][cH][cH]1.[CH3][Si]([CH3])([CH3])[Cl].[CH2]1[CH2][CH2][O][CH2]1.[cH]1[cH][cH][cH][cH][cH]1.[CH3][CH2][O][CH2][CH3]>[CH3:7][C:4]1([CH3:6])[CH2:8][CH2:10][CH2:9][CH2:5][C:3]1=[C:1]([O:2][Si]([CH3])([CH3])[CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123579>NUM<0012>SEQ<0001>COMPRN<97234769,591515,75774,109999,71432,60297,97234792>ROLESTAGE<1;97234769;1;reactant>STAGE<2;75774;1;reagent>STAGE<1;591515;1;reagent>STAGE<1;60297;1;solvent>STAGE<1;71432;1;solvent>STAGE<1;109999;1;solvent>STAGE<2;97234792;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<553>ISM<"[CH3:10][CH:4]([CH3:9])[Si:1]([CH:5]([CH3:12])[CH3:11])([CH:3]([CH3:7])[CH3:8])[C:2](=[N+]=[N-])[C:6](=[O:13])[c:14]1[cH:15][cH:17][cH:18][s:16]1>[cH]1[cH][cH][cH][cH][cH]1>[CH3:9][CH:4]([CH3:10])[SiH:1]([CH:3]([CH3:8])[CH3:7])[CH:5]([CH3:12])[CH3:11].[O:13]=[CH:6][CH:2]=[CH255:14]1=[SH255:16][CH:18]=[CH:17][CH2:15]1">CAN<103:123577>NUM<0028>SEQ<0001>COMPRN<96845691,71432,96845839,96845839>ROLESTAGE<0;96845691;1;reactant>STAGE<0;71432;1;solvent>STAGE<0;96845839;1;product>NOTES<"PHOTOCHEM.">| Error messages: WARNING: Atom has high valence 260 (normal 4) (dy_rmbord) WARNING: Atom has high valence 258 (normal 6) (dy_rmbord) Warning converting TDT: $RXNID<554>ISM<"[CH3:3][Si:1]([CH3:4])([CH3:5])[C:2]#[N:6].[CH3][Si]([CH3])([CH3])[CH2:7][C:8](=[O:9])[Cl]>>[CH3:3][Si:1]([CH3:4])([CH3:5])[O:9][C:8](=[CH2:7])[C:2]#[N:6]">CAN<103:123576>NUM<0001>SEQ<0001>COMPRN<7677249,63877236,54276538>ROLESTAGE<0;7677249;1;reactant>STAGE<0;63877236;1;reactant>STAGE<0;54276538;1;product>| Error messages: WARNING: Atom has high valence 260 (normal 4) (dy_rmbord) WARNING: Atom has high valence 258 (normal 6) (dy_rmbord) WARNING: Atom has high valence 260 (normal 4) (dy_rmbord) WARNING: Atom has high valence 258 (normal 6) (dy_rmbord) Warning converting TDT: $RXNID<579>ISM<"[CH3:5][C:2](=[CH:1][c:3]1[cH:6][cH:9][cH:11][cH:10][cH:7]1)[CH:4]=[O:8].[CH3:16][C:13](=[CH:12][c:14]1[cH:17][cH:20][cH:22][cH:21][cH:18]1)[CH:15]=[O:19]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[H][C:1]([CH:2]([CH3:5])[CH:4]=[O:8])([c:3]1[cH:7][cH:10][cH:11][cH:9][cH:6]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2.[H][C:12]([CH:13]([CH3:16])[CH:15]=[O:19])([c:14]1[cH:18][cH:21][cH:22][cH:20][cH:17]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123573>NUM<0038>SEQ<0001>COMPRN<15174477,15174477,75583572,75583572,12125029,89882199,89882235>ROLESTAGE<1;15174477;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;89882199;1;product>STAGE<2;89882235;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<580>ISM<"[CH3:13][N:8]([CH3:12])[C:4](=[O:9])[C:2](=[CH:1][c:3]1[cH:7][cH:11][cH:14][cH:10][cH:6]1)[CH3:5].[CH3:27][N:22]([CH3:26])[C:18](=[O:23])[C:16](=[CH:15][c:17]1[cH:21][cH:25][cH:28][cH:24][cH:20]1)[CH3:19]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[H][C:1]([CH:2]([CH3:5])[C:4](=[O:9])[N:8]([CH3:13])[CH3:12])([c:3]1[cH:6][cH:10][cH:14][cH:11][cH:7]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2.[H][C:15]([CH:16]([CH3:19])[C:18](=[O:23])[N:22]([CH3:27])[CH3:26])([c:17]1[cH:20][cH:24][cH:28][cH:25][cH:21]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123573>NUM<0039>SEQ<0001>COMPRN<32180419,32180419,75583572,75583572,12125029,98158317,98158328>ROLESTAGE<1;32180419;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158317;1;product>STAGE<2;98158328;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<581>ISM<"[CH3:5][C:2](=[CH:1][c:3]1[cH:6][cH:9][cH:11][cH:10][cH:7]1)[C:4]#[N:8].[CH3:16][C:13](=[CH:12][c:14]1[cH:17][cH:20][cH:22][cH:21][cH:18]1)[C:15]#[N:19]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[H][C:1]([CH:2]([CH3:5])[C:4]#[N:8])([c:3]1[cH:7][cH:10][cH:11][cH:9][cH:6]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2.[H][C:12]([CH:13]([CH3:16])[C:15]#[N:19])([c:14]1[cH:18][cH:21][cH:22][cH:20][cH:17]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123573>NUM<0040>SEQ<0001>COMPRN<53587727,53587727,75583572,75583572,12125029,98158339,98158340>ROLESTAGE<1;53587727;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158339;1;product>STAGE<2;98158340;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<582>ISM<"[CH3:8][O:5][C:2](=[O:6])[C:1](=[CH:3][CH3:7])[CH3:4].[CH3:16][O:13][C:10](=[O:14])[C:9](=[CH:11][CH3:15])[CH3:12]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[CH3:8][O:5][C:2](=[O:6])[CH:1]([CH3:4])[CH:3]([CH3:7])[Si]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1.[CH3:16][O:13][C:10](=[O:14])[CH:9]([CH3:12])[CH:11]([CH3:15])[Si]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1">CAN<103:123573>NUM<0041>SEQ<0001>COMPRN<6622760,6622760,75583572,75583572,12125029,98158351,98158362>ROLESTAGE<1;6622760;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158351;1;product>STAGE<2;98158362;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<583>ISM<"[CH3:8][O:5][C:2](=[O:6])[C:1](=[CH:3][CH:7]([CH3:9])[CH3:10])[CH3:4].[CH3:18][O:15][C:12](=[O:16])[C:11](=[CH:13][CH:17]([CH3:19])[CH3:20])[CH3:14]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[CH3:8][O:5][C:2](=[O:6])[CH:1]([CH3:4])[CH:3]([CH:7]([CH3:9])[CH3:10])[Si]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1.[CH3:18][O:15][C:12](=[O:16])[CH:11]([CH3:14])[CH:13]([CH:17]([CH3:19])[CH3:20])[Si]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1">CAN<103:123573>NUM<0042>SEQ<0001>COMPRN<20515188,20515188,75583572,75583572,12125029,98158373,98158384>ROLESTAGE<1;20515188;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158373;1;product>STAGE<2;98158384;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<584>ISM<"[CH3:11][O:9][C:4](=[O:10])[C:2](=[CH:1][C:3]([CH3:6])([CH3:7])[CH3:8])[CH3:5].[CH3:22][O:20][C:15](=[O:21])[C:13](=[CH:12][C:14]([CH3:17])([CH3:18])[CH3:19])[CH3:16]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[CH3:11][O:9][C:4](=[O:10])[CH:2]([CH3:5])[CH:1]([C:3]([CH3:7])([CH3:8])[CH3:6])[Si]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1.[CH3:22][O:20][C:15](=[O:21])[CH:13]([CH3:16])[CH:12]([C:14]([CH3:18])([CH3:19])[CH3:17])[Si]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1">CAN<103:123573>NUM<0043>SEQ<0001>COMPRN<81171611,81171611,75583572,75583572,12125029,98158395,98158408>ROLESTAGE<1;81171611;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158395;1;product>STAGE<2;98158408;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<585>ISM<"[CH3:8][CH2:4][C:1](=[CH:2][c:5]1[cH:9][cH:12][cH:14][cH:13][cH:10]1)[C:3](=[O:7])[O:6][CH3:11].[CH3:22][CH2:18][C:15](=[CH:16][c:19]1[cH:23][cH:26][cH:28][cH:27][cH:24]1)[C:17](=[O:21])[O:20][CH3:25]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[H][C:2]([CH:1]([CH2:4][CH3:8])[C:3](=[O:7])[O:6][CH3:11])([c:5]1[cH:10][cH:13][cH:14][cH:12][cH:9]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2.[H][C:16]([CH:15]([CH2:18][CH3:22])[C:17](=[O:21])[O:20][CH3:25])([c:19]1[cH:24][cH:27][cH:28][cH:26][cH:23]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123573>NUM<0044>SEQ<0001>COMPRN<64262653,64262653,75583572,75583572,12125029,98158419,98158420>ROLESTAGE<1;64262653;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158419;1;product>STAGE<2;98158420;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<586>ISM<"[CH3:15][CH2:12][CH2:8][CH2:4][C:1](=[CH:2][c:5]1[cH:10][cH:14][cH:16][cH:13][cH:9]1)[C:3](=[O:7])[O:6][CH3:11].[CH3:31][CH2:28][CH2:24][CH2:20][C:17](=[CH:18][c:21]1[cH:26][cH:30][cH:32][cH:29][cH:25]1)[C:19](=[O:23])[O:22][CH3:27]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[H][C:2]([CH:1]([CH2:4][CH2:8][CH2:12][CH3:15])[C:3](=[O:7])[O:6][CH3:11])([c:5]1[cH:10][cH:14][cH:16][cH:13][cH:9]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2.[H][C:18]([CH:17]([CH2:20][CH2:24][CH2:28][CH3:31])[C:19](=[O:23])[O:22][CH3:27])([c:21]1[cH:26][cH:30][cH:32][cH:29][cH:25]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123573>NUM<0045>SEQ<0001>COMPRN<98158533,98158533,75583572,75583572,12125029,98158431,98158442>ROLESTAGE<1;98158533;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158431;1;product>STAGE<2;98158442;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<587>ISM<"[CH3:12][O:6][C:3](=[O:7])[C:1](=[CH:2][c:5]1[cH:10][cH:13][cH:15][cH:14][cH:11]1)[CH:4]([CH3:8])[CH3:9].[CH3:27][O:21][C:18](=[O:22])[C:16](=[CH:17][c:20]1[cH:25][cH:28][cH:30][cH:29][cH:26]1)[CH:19]([CH3:23])[CH3:24]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[H][C:2]([CH:1]([CH:4]([CH3:9])[CH3:8])[C:3](=[O:7])[O:6][CH3:12])([c:5]1[cH:11][cH:14][cH:15][cH:13][cH:10]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2.[H][C:17]([CH:16]([CH:19]([CH3:24])[CH3:23])[C:18](=[O:22])[O:21][CH3:27])([c:20]1[cH:26][cH:29][cH:30][cH:28][cH:25]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123573>NUM<0046>SEQ<0001>COMPRN<98158544,98158544,75583572,75583572,12125029,98158453,98158464>ROLESTAGE<1;98158544;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158453;1;product>STAGE<2;98158464;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<588>ISM<"[CH3:13][O:7][C:4](=[O:8])[C:1](=[CH:3][c:6]1[cH:12][cH:17][cH:19][cH:16][cH:11]1)[CH2:2][c:5]2[cH:10][cH:15][cH:18][cH:14][cH:9]2.[CH3:32][O:26][C:23](=[O:27])[C:20](=[CH:22][c:25]1[cH:31][cH:36][cH:38][cH:35][cH:30]1)[CH2:21][c:24]2[cH:29][cH:34][cH:37][cH:33][cH:28]2>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[CH3:13][O:7][C:4](=[O:8])[CH:1]([CH2:2][c:5]1[cH:10][cH:15][cH:18][cH:14][cH:9]1)[CH:3]([c:6]2[cH:12][cH:17][cH:19][cH:16][cH:11]2)[Si]([CH3])([CH3])[c]3[cH][cH][cH][cH][cH]3.[CH3:32][O:26][C:23](=[O:27])[CH:20]([CH2:21][c:24]1[cH:29][cH:34][cH:37][cH:33][cH:28]1)[CH:22]([c:25]2[cH:31][cH:36][cH:38][cH:35][cH:30]2)[Si]([CH3])([CH3])[c]3[cH][cH][cH][cH][cH]3">CAN<103:123573>NUM<0047>SEQ<0001>COMPRN<42842875,42842875,75583572,75583572,12125029,98158475,98158486>ROLESTAGE<1;42842875;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158475;1;product>STAGE<2;98158486;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<589>ISM<"[CH3:11][O:6][C:3](=[O:7])[C:1](=[CH:2][c:5]1[cH:9][cH:13][cH:15][cH:14][cH:10]1)[CH2:4][CH:8]=[CH2:12].[CH3:26][O:21][C:18](=[O:22])[C:16](=[CH:17][c:20]1[cH:24][cH:28][cH:30][cH:29][cH:25]1)[CH2:19][CH:23]=[CH2:27]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[H][C:2]([CH:1]([CH2:4][CH:8]=[CH2:12])[C:3](=[O:7])[O:6][CH3:11])([c:5]1[cH:9][cH:13][cH:15][cH:14][cH:10]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2.[H][C:17]([CH:16]([CH2:19][CH:23]=[CH2:27])[C:18](=[O:22])[O:21][CH3:26])([c:20]1[cH:24][cH:28][cH:30][cH:29][cH:25]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123573>NUM<0048>SEQ<0001>COMPRN<98158555,98158555,75583572,75583572,12125029,98158497,98158500>ROLESTAGE<1;98158555;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158497;1;product>STAGE<2;98158500;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<590>ISM<"[CH3:16][O:12][C:8](=[O:13])[CH2:4][C:1](=[CH:2][c:5]1[cH:10][cH:15][cH:17][cH:14][cH:9]1)[C:3](=[O:7])[O:6][CH3:11].[CH3:33][O:29][C:25](=[O:30])[CH2:21][C:18](=[CH:19][c:22]1[cH:27][cH:32][cH:34][cH:31][cH:26]1)[C:20](=[O:24])[O:23][CH3:28]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2.[NH4][Cl]>[H][C:2]([CH:1]([CH2:4][C:8](=[O:13])[O:12][CH3:16])[C:3](=[O:7])[O:6][CH3:11])([c:5]1[cH:10][cH:15][cH:17][cH:14][cH:9]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2.[H][C:19]([CH:18]([CH2:21][C:25](=[O:30])[O:29][CH3:33])[C:20](=[O:24])[O:23][CH3:28])([c:22]1[cH:27][cH:32][cH:34][cH:31][cH:26]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123573>NUM<0049>SEQ<0001>COMPRN<65859907,65859907,75583572,75583572,12125029,98158511,98158522>ROLESTAGE<1;65859907;2;reactant>STAGE<2;12125029;1;reagent>STAGE<1;75583572;1;reagent>STAGE<2;98158511;1;product>STAGE<2;98158522;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<591>ISM<"[H][C:1]([CH:2]([CH3:5])[C:4](=[O:9])[O:8][CH3:12])([c:3]1[cH:7][cH:11][cH:13][cH:10][cH:6]1)[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2>[CH3][CH2][O][CH2][CH3].[OH][O][C](=[O])[c]1[cH][cH][cH][c]([Cl])[cH]1.[CH3][CH2][N]([CH2][CH3])[CH2][CH3].[CH3][CH2][O][CH2][CH3]>[CH3:12][O:8][C:4](=[O:9])[CH:2]([CH3:5])[CH:1]([OH])[c:3]1[cH:7][cH:11][cH:13][cH:10][cH:6]1">CAN<103:123573>NUM<0052>SEQ<0001>COMPRN<89881823,67969828,937144,121448,60297,17226798>ROLESTAGE<1;89881823;1;reactant>STAGE<2;121448;1;reagent>STAGE<2;937144;1;reagent>STAGE<1;67969828;1;reagent>STAGE<2;60297;1;solvent>STAGE<2;17226798;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<599>ISM<"[H][C:1]([c:3]1[cH:7][cH:12][cH:15][cH:13][cH:8]1)([C:2]([CH3:6])([CH2:5][CH3:11])[C:4](=[O:10])[O:9][CH3:14])[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2>[HH2+].[F-].[CH3][C](=[O])[O-][BH2+3]([F-])([F-])[O-][C](=[O])[CH3].[OH][O][C](=[O])[c]1[cH][cH][cH][c]([Cl])[cH]1.[F][39K].[CH3][N]([CH3])[CH]=[O]>[CH3:11][CH2:5][C:2]([CH3:6])([CH:1]([OH])[c:3]1[cH:7][cH:12][cH:15][cH:13][cH:8]1)[C:4](=[O:10])[O:9][CH3:14]">CAN<103:123573>NUM<0067>SEQ<0001>COMPRN<98158588,373615,373615,373615,937144,7789233,68122,98158668>ROLESTAGE<1;98158588;1;reactant>STAGE<1;373615;1;reagent>STAGE<2;937144;1;reagent>STAGE<2;7789233;1;reagent>STAGE<2;68122;1;solvent>STAGE<2;98158668;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<600>ISM<"[CH3:1][127I].[CH3:2][127I].[CH3:13][O:8][C:5](=[O:9])[C:3](=[CH:4][c:7]1[cH:11][cH:15][cH:17][cH:16][cH:12]1)[CH2:6][CH:10]=[CH2:14].[CH3:28][O:23][C:20](=[O:24])[C:18](=[CH:19][c:22]1[cH:26][cH:30][cH:32][cH:31][cH:27]1)[CH2:21][CH:25]=[CH2:29]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2>[H][C:19]([c:22]1[cH:26][cH:30][cH:32][cH:31][cH:27]1)([C:18]([CH3:2])([CH2:21][CH:25]=[CH2:29])[C:20](=[O:24])[O:23][CH3:28])[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2.[H][C:4]([c:7]1[cH:11][cH:15][cH:17][cH:16][cH:12]1)([C:3]([CH3:1])([CH2:6][CH:10]=[CH2:14])[C:5](=[O:9])[O:8][CH3:13])[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123573>NUM<0068>SEQ<0001>COMPRN<74884,74884,98158555,98158555,75583572,75583572,98158602,98158613>ROLESTAGE<1;98158555;2;reactant>STAGE<2;74884;2;reactant>STAGE<1;75583572;1;reagent>STAGE<2;98158602;1;product>STAGE<2;98158613;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<602>ISM<"[H][C:1]([c:3]1[cH:7][cH:12][cH:15][cH:13][cH:8]1)([C:2]([CH3:6])([CH2:5][CH3:11])[C:4](=[O:10])[O:9][CH3:14])[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2>[HH2+].[F-].[CH3][C](=[O])[O-][BH2+3]([F-])([F-])[O-][C](=[O])[CH3].[OH][O][C](=[O])[c]1[cH][cH][cH][c]([Cl])[cH]1.[F][39K].[CH3][N]([CH3])[CH]=[O]>[CH3:11][CH2:5][C:2]([CH3:6])([CH:1]([OH])[c:3]1[cH:7][cH:12][cH:15][cH:13][cH:8]1)[C:4](=[O:10])[O:9][CH3:14]">CAN<103:123573>NUM<0071>SEQ<0001>COMPRN<98158599,373615,373615,373615,937144,7789233,68122,98158679>ROLESTAGE<1;98158599;1;reactant>STAGE<1;373615;1;reagent>STAGE<2;937144;1;reagent>STAGE<2;7789233;1;reagent>STAGE<2;68122;1;solvent>STAGE<2;98158679;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<603>ISM<"[CH3:1][127I].[CH3:2][127I].[CH3:14][O:8][C:5](=[O:9])[C:3](=[CH:4][c:7]1[cH:12][cH:15][cH:17][cH:16][cH:13]1)[CH:6]([CH3:10])[CH3:11].[CH3:29][O:23][C:20](=[O:24])[C:18](=[CH:19][c:22]1[cH:27][cH:30][cH:32][cH:31][cH:28]1)[CH:21]([CH3:25])[CH3:26]>[7LiH+].[CH3][Si-]([CH3])([63Cu+][Si-]([CH3])([CH3])[c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2>[H][C:19]([c:22]1[cH:28][cH:31][cH:32][cH:30][cH:27]1)([C:18]([CH3:2])([CH:21]([CH3:26])[CH3:25])[C:20](=[O:24])[O:23][CH3:29])[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2.[H][C:4]([c:7]1[cH:13][cH:16][cH:17][cH:15][cH:12]1)([C:3]([CH3:1])([CH:6]([CH3:11])[CH3:10])[C:5](=[O:9])[O:8][CH3:14])[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2">CAN<103:123573>NUM<0072>SEQ<0001>COMPRN<74884,74884,98158544,98158544,75583572,75583572,98158646,98158657>ROLESTAGE<1;98158544;2;reactant>STAGE<2;74884;2;reactant>STAGE<1;75583572;1;reagent>STAGE<2;98158646;1;product>STAGE<2;98158657;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<604>ISM<"[H][C:1]([c:3]1[cH:7][cH:12][cH:16][cH:13][cH:8]1)([C:2]([CH3:6])([CH2:5][CH:11]=[CH2:15])[C:4](=[O:10])[O:9][CH3:14])[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2>[HH2+].[F-].[CH3][C](=[O])[O-][BH2+3]([F-])([F-])[O-][C](=[O])[CH3].[OH][O][C](=[O])[c]1[cH][cH][cH][c]([Cl])[cH]1.[F][39K].[CH3][N]([CH3])[CH]=[O]>[CH3:14][O:9][C:4](=[O:10])[C:2]([CH3:6])([CH2:5][CH:11]=[CH2:15])[CH:1]([OH])[c:3]1[cH:7][cH:12][cH:16][cH:13][cH:8]1">CAN<103:123573>NUM<0074>SEQ<0001>COMPRN<98158602,373615,373615,373615,937144,7789233,68122,98158680>ROLESTAGE<1;98158602;1;reactant>STAGE<1;373615;1;reagent>STAGE<2;937144;1;reagent>STAGE<2;7789233;1;reagent>STAGE<2;68122;1;solvent>STAGE<2;98158680;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<605>ISM<"[H][C:1]([c:3]1[cH:7][cH:12][cH:16][cH:13][cH:8]1)([C:2]([CH3:6])([CH2:5][CH:11]=[CH2:15])[C:4](=[O:10])[O:9][CH3:14])[Si]([CH3])([CH3])[c]2[cH][cH][cH][cH][cH]2>[HH2+].[F-].[CH3][C](=[O])[O-][BH2+3]([F-])([F-])[O-][C](=[O])[CH3].[OH][O][C](=[O])[c]1[cH][cH][cH][c]([Cl])[cH]1.[F][39K].[CH3][N]([CH3])[CH]=[O]>[CH3:14][O:9][C:4](=[O:10])[C:2]([CH3:6])([CH2:5][CH:11]=[CH2:15])[CH:1]([OH])[c:3]1[cH:7][cH:12][cH:16][cH:13][cH:8]1">CAN<103:123573>NUM<0076>SEQ<0001>COMPRN<98158613,373615,373615,373615,937144,7789233,68122,98158691>ROLESTAGE<1;98158613;1;reactant>STAGE<1;373615;1;reagent>STAGE<2;937144;1;reagent>STAGE<2;7789233;1;reagent>STAGE<2;68122;1;solvent>STAGE<2;98158691;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<606>ISM<"[OH:1][c:2]1[cH:3][cH:5][cH:7][cH:6][cH:4]1.[CH3:9][Si:8]([CH3:10])([CH3:11])[O][C](=[O])[C]([Cl])([Cl])[Cl]>[39K].[OH][C](=[O])[OH].[CH2]1[CH2][O][CH2][CH2][O][CH2][CH2][O][CH2][CH2][O][CH2][CH2][O][CH2][CH2][O]1>[CH3:9][Si:8]([CH3:10])([CH3:11])[O:1][c:2]1[cH:3][cH:5][cH:7][cH:6][cH:4]1">CAN<103:123571>NUM<0001>SEQ<0001>COMPRN<108952,25436071,584087,584087,17455139,1529175>ROLESTAGE<0;108952;1;reactant>STAGE<0;25436071;1;reactant>STAGE<0;584087;1;catalyst>STAGE<0;17455139;1;catalyst>STAGE<0;1529175;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<641>ISM<"[CH3:4][Si:2]([CH3:5])([CH3:6])[O:1][CH2:3][CH2:7][NH2:8].[CH3][Si]([CH3])([CH3])[O:9][CH2:10][CH2:11][NH2:12]>[F][Si]([F])([F])[F]>[CH3:4][SiH:2]([CH3:5])[CH3:6].[NH2:8][CH2:7][CH2:3][O:1][Si]([F])([F])[F].[F-][SiH3+4]1([F-])([F-])[NH2:12][CH2:11][CH2:10][O-:9]1">CAN<103:123568>NUM<0001>SEQ<0001>COMPRN<5804922,5804922,7783611,993077,98156139,98182548>ROLESTAGE<0;5804922;2;reactant>STAGE<0;7783611;1;reagent>STAGE<0;993077;1;product>STAGE<0;98156139;1;product>STAGE<0;98182548;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<642>ISM<"[CH3:9][NH:8][CH2:7][CH2:3][O:1][Si:2]([CH3:4])([CH3:5])[CH3:6].[CH3:14][NH:13][CH2:12][CH2:11][O:10][Si]([CH3])([CH3])[CH3]>[F][Si]([F])([F])[F]>[CH3:4][SiH:2]([CH3:5])[CH3:6].[CH3:9][NH:8][CH2:7][CH2:3][O:1][Si]([F])([F])[F].[CH3:14][NH:13]1[CH2:12][CH2:11][O-:10][SiH3+4]1([F-])([F-])[F-]">CAN<103:123568>NUM<0003>SEQ<0001>COMPRN<98156231,98156231,7783611,993077,98156140,98182559>ROLESTAGE<0;98156231;2;reactant>STAGE<0;7783611;1;reagent>STAGE<0;993077;1;product>STAGE<0;98156140;1;product>STAGE<0;98182559;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<643>ISM<"[CH3:9][N:8]([CH3:10])[CH2:4][CH2:2][O:1][Si:3]([CH3:5])([CH3:6])[CH3:7].[CH3:15][N:14]([CH3:16])[CH2:13][CH2:12][O:11][Si]([CH3])([CH3])[CH3]>[F][Si]([F])([F])[F]>[CH3:5][SiH:3]([CH3:6])[CH3:7].[CH3:9][N:8]([CH3:10])[CH2:4][CH2:2][O:1][Si]([F])([F])[F].[CH3:15][N:14]1([CH3:16])[CH2:13][CH2:12][O-:11][SiH3+4]1([F-])([F-])[F-]">CAN<103:123568>NUM<0005>SEQ<0001>COMPRN<16654641,16654641,7783611,993077,98156151,98182560>ROLESTAGE<0;16654641;2;reactant>STAGE<0;7783611;1;reagent>STAGE<0;993077;1;product>STAGE<0;98156151;1;product>STAGE<0;98182560;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<644>ISM<"[F:2][Si:1]([F:3])([F])[c:4]1[cH:5][cH:7][cH:9][cH:8][cH:6]1.[F:11][Si:10]([F:12])([F])[c:13]1[cH:14][cH:16][cH:18][cH:17][cH:15]1.[CH3:22][Si:20]([CH3:23])([CH3:24])[O:19][CH2:21][CH2:25][NH2:26].[CH3][Si]([CH3])([CH3])[O:27][CH2:28][CH2:29][NH2:30]>>[CH3:22][SiH:20]([CH3:23])[CH3:24].[NH2:26][CH2:25][CH2:21][O:19][Si:1]([F:2])([F:3])[c:4]1[cH:5][cH:7][cH:9][cH:8][cH:6]1.[F-:11][SiH3+4:10]1([F-:12])([NH2:30][CH2:29][CH2:28][O-:27]1)[C-:13]2=[CH:15][CH:17]=[CH:18][CH:16]=[CH:14]2">CAN<103:123568>NUM<0007>SEQ<0001>COMPRN<368478,368478,5804922,5804922,993077,98156162,98182571>ROLESTAGE<0;368478;2;reactant>STAGE<0;5804922;2;reactant>STAGE<0;993077;1;product>STAGE<0;98156162;1;product>STAGE<0;98182571;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<645>ISM<"[F:2][Si:1]([F:3])([F])[c:4]1[cH:5][cH:7][cH:9][cH:8][cH:6]1.[F:11][Si:10]([F:12])([F])[c:13]1[cH:14][cH:16][cH:18][cH:17][cH:15]1.[CH3:27][NH:26][CH2:25][CH2:21][O:19][Si:20]([CH3:22])([CH3:23])[CH3:24].[CH3:32][NH:31][CH2:30][CH2:29][O:28][Si]([CH3])([CH3])[CH3]>>[CH3:22][SiH:20]([CH3:23])[CH3:24].[CH3:27][NH:26][CH2:25][CH2:21][O:19][Si:1]([F:2])([F:3])[c:4]1[cH:5][cH:7][cH:9][cH:8][cH:6]1.[CH3:32][NH:31]1[CH2:30][CH2:29][O-:28][SiH3+4:10]1([F-:12])([F-:11])[C-:13]2=[CH:15][CH:17]=[CH:18][CH:16]=[CH:14]2">CAN<103:123568>NUM<0009>SEQ<0001>COMPRN<368478,368478,98156231,98156231,993077,98156173,98212421>ROLESTAGE<0;368478;2;reactant>STAGE<0;98156231;2;reactant>STAGE<0;993077;1;product>STAGE<0;98156173;1;product>STAGE<0;98212421;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Error converting TDT: $RXNID<646>ISM<"[CH3:7][Si:4]([CH3:8])([CH3:9])[O:2][CH2:1][c:3]1[cH:5][cH:10][cH:12][cH:11][n:6]1.[CH3][Si]([CH3])([CH3])[O:14][CH2:13][c:15]1[cH:16][cH:18][cH:20][cH:19][n:17]1>[F][Si]([F])([F])[F]>[CH3:7][SiH:4]([CH3:8])[CH3:9].[F][Si]([F])([F])[O:2][CH2:1][c:3]1[cH:5][cH:10][cH:12][cH:11][n:6]1.[F-][SiH3+4]1([F-])([F-])[O-:14][CH2:13][c:15]2[cH:16][cH:18][cH:20][cH:19][n:17]21">CAN<103:123568>NUM<0011>SEQ<0001>COMPRN<56844690,56844690,7783611,993077,98156184,98182582>ROLESTAGE<0;56844690;2;reactant>STAGE<0;7783611;1;reagent>STAGE<0;993077;1;product>STAGE<0;98156184;1;product>STAGE<0;98182582;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) ERROR: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) (dy_thor_standard_id) Error converting TDT: $RXNID<647>ISM<"[F][Si:1]([F:2])([F:3])[c:4]1[cH:5][cH:7][cH:9][cH:8][cH:6]1.[F][Si:10]([F:11])([F:12])[c:13]1[cH:14][cH:16][cH:18][cH:17][cH:15]1.[CH3:25][Si:22]([CH3:26])([CH3:27])[O:20][CH2:19][c:21]1[cH:23][cH:28][cH:30][cH:29][n:24]1.[CH3][Si]([CH3])([CH3])[O:32][CH2:31][c:33]1[cH:34][cH:36][cH:38][cH:37][n:35]1>>[CH3:25][SiH:22]([CH3:26])[CH3:27].[F:2][Si:1]([F:3])([O:20][CH2:19][c:21]1[cH:23][cH:28][cH:30][cH:29][n:24]1)[c:4]2[cH:5][cH:7][cH:9][cH:8][cH:6]2.[F-:11][SiH3+4:10]1([F-:12])([O-:32][CH2:31][c:33]2[cH:34][cH:36][cH:38][cH:37][n:35]21)[C-:13]3=[CH:15][CH:17]=[CH:18][CH:16]=[CH:14]3">CAN<103:123568>NUM<0013>SEQ<0001>COMPRN<368478,368478,56844690,56844690,993077,98156195,98182593>ROLESTAGE<0;368478;2;reactant>STAGE<0;56844690;2;reactant>STAGE<0;993077;1;product>STAGE<0;98156195;1;product>STAGE<0;98182593;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) ERROR: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) [cH:34][cH:36][cH:38][cH:37][n:35]21)[C-:13]3=[CH:15][CH:17]=[CH:18][CH:16]=[CH ^^^^ (dy_thor_standard_id) Error converting TDT: $RXNID<648>ISM<"[CH3][Si]([CH3])([CH3])[O:1][c:2]1[cH:4][cH:7][cH:8][c:5]2[cH:9][cH:11][cH:10][n:6][c:3]12.[CH3][Si]([CH3])([CH3])[O:12][c:13]1[cH:15][cH:18][cH:19][c:16]2[cH:20][cH:22][cH:21][n:17][c:14]12>[CH3][CH2][N]([CH2][CH3])[CH2][CH3].[F][Si]([F])([F])[F]>[F][Si]([F])([O][c]1[cH][cH][cH][c]2[cH][cH][cH][n][c]12)[O:1][c:2]3[cH:4][cH:7][cH:8][c:5]4[cH:9][cH:11][cH:10][n:6][c:3]34.[F-][SiH2+4]12([F-])([O-][c]3[cH][cH][cH][c]4[cH][cH][cH][n]1[c]34)[O-:12][c:13]5[cH:15][cH:18][cH:19][c:16]6[cH:20][cH:22][cH:21][n:17]2[c:14]56">CAN<103:123568>NUM<0015>SEQ<0001>COMPRN<23111139,23111139,121448,7783611,98156208,98182606>ROLESTAGE<0;23111139;2;reactant>STAGE<0;121448;1;reagent>STAGE<0;7783611;1;reagent>STAGE<0;98156208;1;product>STAGE<0;98182606;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) ERROR: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) cH][cH][cH][c]4[cH][cH][cH][n]1[c]34)[O-:12][c:13]5[cH:15][cH:18][cH:19][c:16]6 ^^^^ (dy_thor_standard_id) Warning converting TDT: $RXNID<650>ISM<"[F][Si:1]([F:2])([F:3])[c:4]1[cH:5][cH:7][cH:9][cH:8][cH:6]1.[F][Si:10]([F:11])([F:12])[c:13]1[cH:14][cH:16][cH:18][cH:17][cH:15]1.[CH3:28][N:27]([CH3:29])[CH2:26][CH2:21][N:19]([CH3:22])[Si:20]([CH3:23])([CH3:24])[CH3:25].[CH3:35][N:34]([CH3:36])[CH2:33][CH2:31][N:30]([CH3:32])[Si]([CH3])([CH3])[CH3]>>[CH3:23][SiH:20]([CH3:24])[CH3:25].[CH3:29][N:27]([CH3:28])[CH2:26][CH2:21][N:19]([CH3:22])[Si:1]([F:2])([F:3])[c:4]1[cH:6][cH:8][cH:9][cH:7][cH:5]1.[CH3:32][N-:30]1[CH2:31][CH2:33][N:34]([CH3:36])([CH3:35])[SiH3+4:10]1([F-:12])([F-:11])[C-:13]2=[CH:15][CH:17]=[CH:18][CH:16]=[CH:14]2">CAN<103:123568>NUM<0019>SEQ<0001>COMPRN<368478,368478,79101261,79101261,993077,98156220,98182628>ROLESTAGE<0;368478;2;reactant>STAGE<0;79101261;2;reactant>STAGE<0;993077;1;product>STAGE<0;98156220;1;product>STAGE<0;98182628;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<651>ISM<"[CH3:2][Si:1]([CH3:3])([CH3:4])[Cl].[CH3:9][NH:7][CH2:5][CH2:6][OH:8]>[CH3][CH2][O][CH2][CH3]>[CH3:9][NH:7][CH2:5][CH2:6][O:8][Si:1]([CH3:2])([CH3:3])[CH3:4]">CAN<103:123568>NUM<0021>SEQ<0001>COMPRN<75774,109831,60297,98156231>ROLESTAGE<0;75774;1;reactant>STAGE<0;109831;1;reactant>STAGE<0;60297;1;solvent>STAGE<0;98156231;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<657>ISM<"[CH3:20][C:14]([CH3:19])([CH3:18])[B:12]1[B:11]([C:13]([CH3:17])([CH3:16])[CH3:15])[C:4]1([39K])[CH:1]([Si:2]([CH3:5])([CH3:6])[CH3:7])[Si:3]([CH3:8])([CH3:9])[CH3:10]>[CH3][CH2][CH2][CH2][NH][Si]([CH3])([CH3])[CH3]>[CH3:18][C-:14]([CH3:19])([CH3:20])[BH2+3:12]12[H-][BH+3:11]2(=[C-3:4]1[CH:1]([Si:3]([CH3:10])([CH3:9])[CH3:8])[Si:2]([CH3:5])([CH3:6])[CH3:7])[C-:13]([CH3:15])([CH3:17])[CH3:16]">CAN<103:123566>NUM<0003>SEQ<0001>COMPRN<97975901,5577662,97975912>ROLESTAGE<0;97975901;1;reactant>STAGE<0;5577662;1;reagent>STAGE<0;97975912;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<658>ISM<"[CH3:20][C:14]([CH3:19])([CH3:18])[B:12]1[B:11]([C:13]([CH3:17])([CH3:16])[CH3:15])[C:4]1([39K])[CH:1]([Si:2]([CH3:5])([CH3:6])[CH3:7])[Si:3]([CH3:8])([CH3:9])[CH3:10]>[ClH]>[CH3:18][C-:14]([CH3:19])([CH3:20])[BH2+3:12]12[H-][BH+3:11]2(=[C-3:4]1[CH:1]([Si:3]([CH3:10])([CH3:9])[CH3:8])[Si:2]([CH3:5])([CH3:6])[CH3:7])[C-:13]([CH3:15])([CH3:17])[CH3:16]">CAN<103:123566>NUM<0003>SEQ<0002>COMPRN<97975901,7647010,97975912>ROLESTAGE<0;97975901;1;reactant>STAGE<0;7647010;1;reagent>STAGE<0;97975912;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<659>ISM<"[CH3:20][C:8]([CH3:19])([CH3:18])[B:4]([127I])[CH:1]([B:3]([127I])[C:7]([CH3:17])([CH3:16])[CH3:15])[CH:2]([Si:5]([CH3:10])([CH3:9])[CH3:11])[Si:6]([CH3:13])([CH3:14])[CH3:12]>[39K].[Li]>[CH3:18][C-:8]([CH3:19])([CH3:20])[BH2+3:4]12[H-][BH+3:3]2(=[C-3:1]1[CH:2]([Si:6]([CH3:14])([CH3:13])[CH3:12])[Si:5]([CH3:9])([CH3:10])[CH3:11])[C-:7]([CH3:15])([CH3:17])[CH3:16]">CAN<103:123566>NUM<0003>SEQ<0003>COMPRN<97975923,7440097,7440235,97975912>ROLESTAGE<0;97975923;1;reactant>STAGE<0;7440097;1;reagent>STAGE<0;7440235;1;reagent>STAGE<0;97975912;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<660>ISM<"[CH3:2][C-:1]([CH3:3])([CH3:4])[BH2+3:5]12[H-][BH+3:6]2(=[C-3:7]1[CH:9]([Si:14]([CH3:20])([CH3:19])[CH3:18])[Si:13]([CH3:15])([CH3:16])[CH3:17])[C-:8]([CH3:10])([CH3:12])[CH3:11]>[127I][127I]>[CH3:4][C:1]([CH3:3])([CH3:2])[B:5]([127I])[CH:7]([B:6]([127I])[C:8]([CH3:12])([CH3:11])[CH3:10])[CH:9]([Si:13]([CH3:16])([CH3:15])[CH3:17])[Si:14]([CH3:19])([CH3:20])[CH3:18]">CAN<103:123566>NUM<0004>SEQ<0001>COMPRN<97975912,7553562,97975923>ROLESTAGE<0;97975912;1;reactant>STAGE<0;7553562;1;reagent>STAGE<0;97975923;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<661>ISM<"[ClH].[CH3:4][CH2:2][NH:1][CH2:3][CH3:5]>[LiH+].[H-][BH2+3]([H-])([H-])[C-]#[N].[CH2]1[CH2][CH2][O][CH2]1>[H-][BH2+3]([H-])([C-]#[N])[NH:1]([CH2:2][CH3:4])[CH2:3][CH3:5]">CAN<103:123564>NUM<0001>SEQ<0001>COMPRN<660684,660684,25895607,25895607,109999,98150493>ROLESTAGE<0;660684;1;reactant>STAGE<0;25895607;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;98150493;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<662>ISM<"[ClH].[CH3:5][CH2:2][N:1]([CH2:3][CH3:6])[CH2:4][CH3:7]>[LiH+].[H-][BH2+3]([H-])([H-])[C-]#[N].[CH2]1[CH2][CH2][O][CH2]1>[H-][BH2+3]([H-])([C-]#[N])[N:1]([CH2:2][CH3:5])([CH2:3][CH3:6])[CH2:4][CH3:7]">CAN<103:123564>NUM<0002>SEQ<0001>COMPRN<554687,554687,25895607,25895607,109999,67374587>ROLESTAGE<0;554687;1;reactant>STAGE<0;25895607;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;67374587;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<663>ISM<"[ClH].[CH3:3][CH2:1][CH2:2][NH2:4]>[LiH+].[H-][BH2+3]([H-])([H-])[C-]#[N].[CH2]1[CH2][CH2][O][CH2]1>[H-][BH2+3]([H-])([NH2:4][CH2:2][CH2:1][CH3:3])[C-]#[N]">CAN<103:123564>NUM<0003>SEQ<0001>COMPRN<556536,556536,25895607,25895607,109999,98150506>ROLESTAGE<0;556536;1;reactant>STAGE<0;25895607;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;98150506;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<664>ISM<"[ClH].[CH3:2][CH:1]([CH3:3])[NH2:4]>[LiH+].[H-][BH2+3]([H-])([H-])[C-]#[N].[CH2]1[CH2][CH2][O][CH2]1>[H-][BH2+3]([H-])([NH2:4][CH:1]([CH3:2])[CH3:3])[C-]#[N]">CAN<103:123564>NUM<0004>SEQ<0001>COMPRN<15572562,15572562,25895607,25895607,109999,98150517>ROLESTAGE<0;15572562;1;reactant>STAGE<0;25895607;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;98150517;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<665>ISM<"[ClH].[CH3:4][CH:2]([CH3:5])[NH:1][CH:3]([CH3:6])[CH3:7]>[LiH+].[H-][BH2+3]([H-])([H-])[C-]#[N].[CH2]1[CH2][CH2][O][CH2]1>[H-][BH2+3]([H-])([C-]#[N])[NH:1]([CH:2]([CH3:4])[CH3:5])[CH:3]([CH3:6])[CH3:7]">CAN<103:123564>NUM<0005>SEQ<0001>COMPRN<819794,819794,25895607,25895607,109999,98150528>ROLESTAGE<0;819794;1;reactant>STAGE<0;25895607;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;98150528;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<666>ISM<"[ClH].[CH3:8][CH2:5][CH2:2][N:1]([CH2:3][CH2:6][CH3:9])[CH2:4][CH2:7][CH3:10]>[LiH+].[H-][BH2+3]([H-])([H-])[C-]#[N].[CH2]1[CH2][CH2][O][CH2]1>[H-][BH2+3]([H-])([C-]#[N])[N:1]([CH2:4][CH2:7][CH3:10])([CH2:3][CH2:6][CH3:9])[CH2:2][CH2:5][CH3:8]">CAN<103:123564>NUM<0006>SEQ<0001>COMPRN<14488449,14488449,25895607,25895607,109999,98150539>ROLESTAGE<0;14488449;1;reactant>STAGE<0;25895607;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;98150539;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<667>ISM<"[ClH].[CH3:4][CH2:2][CH2:1][CH2:3][NH2:5]>[LiH+].[H-][BH2+3]([H-])([H-])[C-]#[N].[CH2]1[CH2][CH2][O][CH2]1>[H-][BH2+3]([H-])([NH2:5][CH2:3][CH2:1][CH2:2][CH3:4])[C-]#[N]">CAN<103:123564>NUM<0007>SEQ<0001>COMPRN<3858784,3858784,25895607,25895607,109999,98150540>ROLESTAGE<0;3858784;1;reactant>STAGE<0;25895607;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;98150540;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<668>ISM<"[ClH].[CH3:8][CH2:6][CH2:4][CH2:2][NH:1][CH2:3][CH2:5][CH2:7][CH3:9]>[LiH+].[H-][BH2+3]([H-])([H-])[C-]#[N].[CH2]1[CH2][CH2][O][CH2]1>[H-][BH2+3]([H-])([C-]#[N])[NH:1]([CH2:2][CH2:4][CH2:6][CH3:8])[CH2:3][CH2:5][CH2:7][CH3:9]">CAN<103:123564>NUM<0008>SEQ<0001>COMPRN<6287407,6287407,25895607,25895607,109999,98150551>ROLESTAGE<0;6287407;1;reactant>STAGE<0;25895607;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;98150551;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<669>ISM<"[ClH].[CH3:6][CH:4]([CH3:7])[CH2:2][NH:1][CH2:3][CH:5]([CH3:8])[CH3:9]>[LiH+].[H-][BH2+3]([H-])([H-])[C-]#[N].[CH2]1[CH2][CH2][O][CH2]1>[H-][BH2+3]([H-])([C-]#[N])[NH:1]([CH2:3][CH:5]([CH3:8])[CH3:9])[CH2:2][CH:4]([CH3:7])[CH3:6]">CAN<103:123564>NUM<0009>SEQ<0001>COMPRN<18251826,18251826,25895607,25895607,109999,98182753>ROLESTAGE<0;18251826;1;reactant>STAGE<0;25895607;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;98182753;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<670>ISM<"[CH3:8][CH:5]([OH:9])[CH2:2][N:1]([CH2:3][CH:6]([CH3:10])[OH:11])[CH2:4][CH:7]([CH3:12])[OH:13].[CH3:21][CH:18]([OH:22])[CH2:15][N:14]([CH2:16][CH:19]([CH3:23])[OH:24])[CH2:17][CH:20]([CH3:25])[OH:26]>[OH][B]([OH])[OH]>[CH3:8][CH:5]1[CH2:2][N:1]23[CH2:4][CH:7]([CH3:12])[O-:13][BH2+3]3([O-:9]1)[O-:11][CH:6]([CH3:10])[CH2:3]2.[CH3:21][CH:18]1[CH2:15][N:14]2[CH2:17][CH:20]([CH3:25])[O:26][B]([O:22]1)[O:24][CH:19]([CH3:23])[CH2:16]2">CAN<103:123563>NUM<0001>SEQ<0001>COMPRN<83023829,83023829,10043353,98049253,98102751>ROLESTAGE<0;83023829;2;reactant>STAGE<0;10043353;1;reagent>STAGE<0;98049253;1;product>STAGE<0;98102751;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<671>ISM<"[CH3:1][CH:2]1[CH2:3][O:4]1.[CH3:5][CH:6]1[CH2:7][O:8]1.[CH3:9][CH:10]1[CH2:11][O:12]1>[NH3].[OH2]>[CH3:1][CH:2]([OH:4])[CH2:3][N]([CH2:11][CH:10]([CH3:9])[OH:12])[CH2:7][CH:6]([CH3:5])[OH:8]">CAN<103:123563>NUM<0004>SEQ<0001>COMPRN<16088623,16088623,16088623,7664417,7732185,83023829>ROLESTAGE<0;16088623;3;reactant>STAGE<0;7664417;1;reagent>STAGE<0;7732185;1;solvent>STAGE<0;83023829;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<672>ISM<"[CH3:8][CH:5]([OH:9])[CH2:2][N:1]([CH2:3][CH:6]([CH3:10])[OH:11])[CH2:4][CH:7]([CH3:12])[OH:13].[CH3:21][CH:18]([OH:22])[CH2:15][N:14]([CH2:16][CH:19]([CH3:23])[OH:24])[CH2:17][CH:20]([CH3:25])[OH:26]>[OH][B]([OH])[OH]>[CH3:8][CH:5]1[CH2:2][N:1]23[CH2:4][CH:7]([CH3:12])[O-:13][BH2+3]3([O-:9]1)[O-:11][CH:6]([CH3:10])[CH2:3]2.[CH3:21][CH:18]1[CH2:15][N:14]2[CH2:17][CH:20]([CH3:25])[O:26][B]([O:22]1)[O:24][CH:19]([CH3:23])[CH2:16]2">CAN<103:123563>NUM<0006>SEQ<0001>COMPRN<98102773,98102773,10043353,83023874,98102762>ROLESTAGE<0;98102773;2;reactant>STAGE<0;10043353;1;reagent>STAGE<0;83023874;1;product>STAGE<0;98102762;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<673>ISM<"[CH3:1][CH:2]1[CH2:3][O:4]1>[NH3].[OH2]>[CH3:1][CH:2]([OH:4])[CH2:3][NH2]">CAN<103:123563>NUM<0008>SEQ<0001>COMPRN<16033719,7664417,7732185,1674562>ROLESTAGE<0;16033719;1;reactant>STAGE<0;7664417;1;reagent>STAGE<0;7732185;1;solvent>STAGE<0;1674562;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<676>ISM<"[CH3:12][c:8]1[cH:13][cH:17][cH:11][c:7]2[CH:10]=[N:4]([C:9]([CH3:15])([CH3:14])[CH3:16])[195Pt+2:2]3([CH3-:1])([Cl-])([CH2:5]=[CH2:6]3)[n:3]21>[CH3][C]#[N].[107AgH+].[F-][BH2+3]([F-])([F-])[F-].[Cl][CH]([Cl])[Cl]>[F-][BH2+3]([F-])([F-])[F-].[CH3][C]#[N][195Pt+2:2]12([CH3-:1])([CH2:5]=[CH2:6]1)[N:4](=[CH:10][c:7]3[cH:11][cH:17][cH:13][c:8]([CH3:12])[n:3]32)[C:9]([CH3:16])([CH3:15])[CH3:14]">CAN<103:123561>NUM<0003>SEQ<0001>COMPRN<97958899,75058,14104202,14104202,67663,14874705,97958902>ROLESTAGE<0;97958899;1;reactant>STAGE<0;75058;1;reagent>STAGE<0;14104202;1;reagent>STAGE<0;67663;1;solvent>STAGE<0;97958913;1;product>MCOMPRN<97958913;14874705;1>MCOMPRN<97958913;97958902;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<677>ISM<"[CH3:3][CH:1]([N:2]=[CH:5][c:8]1[cH:12][cH:15][cH:17][c:14]([CH3:16])[n:11]1)[c:4]2[cH:6][cH:9][cH:13][cH:10][cH:7]2.[CH3:20][CH:18]([N:19]=[CH:22][c:25]1[cH:29][cH:32][cH:34][c:31]([CH3:33])[n:28]1)[c:21]2[cH:23][cH:26][cH:30][cH:27][cH:24]2.[CH3-:35][195Pt+2:36]12([Cl-:37][195Pt+2]3([CH3-])([Cl-]1)[CH2]=[CH2]3)[CH2:38]=[CH2:39]2.[CH3-:40][195Pt+2:41]12([Cl-:42][195Pt+2]3([CH3-])([Cl-]1)[CH2]=[CH2]3)[CH2:43]=[CH2:44]2>[CH3][CH2][O][CH2][CH3]>[CH3:3][CH:1]([N:2]1=[CH:5][c:8]2[cH:12][cH:15][cH:17][c:14]([CH3:16])[n:11]2[195Pt+2:36]31([CH3-:35])([Cl-:37])[CH2:38]=[CH2:39]3)[c:4]4[cH:7][cH:10][cH:13][cH:9][cH:6]4.[CH3:20][CH:18]([N:19]1=[CH:22][c:25]2[cH:29][cH:32][cH:34][c:31]([CH3:33])[n:28]2[195Pt+2:41]31([CH3-:40])([Cl-:42])[CH2:43]=[CH2:44]3)[c:21]4[cH:24][cH:27][cH:30][cH:26][cH:23]4">CAN<103:123561>NUM<0005>SEQ<0001>COMPRN<78085844,78085844,90523129,90523129,60297,97958924,97996491>ROLESTAGE<0;78085844;2;reactant>STAGE<0;90523129;2;reactant>STAGE<0;60297;1;solvent>STAGE<0;97958924;1;product>STAGE<0;97996491;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<679>ISM<"[CH3:9][CH2:7][C:3](=[O:8])[O:1][C:2]([CH3:4])([CH3:5])[CH3:6]>[7Li].[CH3][CH]([CH3])[NH][CH]([CH3])[CH3].[CH3][N]([CH3])[CH2][CH2][N]([CH3])[CH3].[CH2]1[CH2][CH2][O][CH2]1>[CH3:9][CH:7]=[C:3]([O:1][C:2]([CH3:5])([CH3:4])[CH3:6])[O-:8]1[7Li+]2([O-]([C](=[CH][CH3])[O][C]([CH3])([CH3])[CH3])[7Li+]13[N]([CH3])([CH3])[CH2][CH2][N]3([CH3])[CH3])[N]([CH3])([CH3])[CH2][CH2][N]2([CH3])[CH3]">CAN<103:123559>NUM<0001>SEQ<0001>COMPRN<20487405,4111540,4111540,110189,109999,97210509>ROLESTAGE<1;20487405;1;reactant>STAGE<2;110189;1;reagent>STAGE<1;4111540;1;reagent>STAGE<1;109999;1;solvent>STAGE<2;97210509;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<680>ISM<"[CH3:6][CH:3]([CH3:7])[C:1](=[O:4])[O:2][C:5]([CH3:8])([CH3:9])[CH3:10]>[7Li].[CH3][CH]([CH3])[NH][CH]([CH3])[CH3].[CH3][N]([CH3])[CH2][CH2][N]([CH3])[CH3].[CH3][CH2][CH2][CH2][CH2][CH3].[CH3][CH2][CH2][CH2][CH2][CH3]>[CH3:7][C:3](=[C:1]([O:2][C:5]([CH3:9])([CH3:8])[CH3:10])[O-:4]1[7Li+]2([O-]([C](=[C]([CH3])[CH3])[O][C]([CH3])([CH3])[CH3])[7Li+]13[N]([CH3])([CH3])[CH2][CH2][N]3([CH3])[CH3])[N]([CH3])([CH3])[CH2][CH2][N]2([CH3])[CH3])[CH3:6]">CAN<103:123559>NUM<0002>SEQ<0001>COMPRN<16889728,4111540,4111540,110189,110543,110543,97210510>ROLESTAGE<1;16889728;1;reactant>STAGE<2;110189;1;reagent>STAGE<1;4111540;1;reagent>STAGE<1;110543;1;solvent>STAGE<2;110543;1;solvent>STAGE<2;97210510;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<681>ISM<"[CH3:9][O:7][C:3](=[O:8])[CH2:1][C:2]([CH3:4])([CH3:5])[CH3:6]>[7Li].[CH3][CH]([CH3])[NH][CH]([CH3])[CH3].[CH2]1[CH2][CH2][O][CH2]1.[CH2]1[CH2][CH2][O][CH2]1.[CH3][CH2][CH2][CH2][CH2][CH3]>[CH3:9][O:7][C:3](=[CH:1][C:2]([CH3:4])([CH3:5])[CH3:6])[O-:8]1([7Li+]2([O]3[CH2][CH2][CH2][CH2]3)[O-]4([C](=[OH255][CH3])[CH2][C]([CH3])([CH3])[CH3])[7Li+]5([O]6[CH2][CH2][CH2][CH2]6)[O-]2([C](=[OH255][CH3])[CH2][C]([CH3])([CH3])[CH3])[7Li+]17[O]8[CH2][CH2][CH2][CH2]8)[7Li+]4([O]9[CH2][CH2][CH2][CH2]9)[O-]57[C](=[CH][C]([CH3])([CH3])[CH3])[O][CH3]">CAN<103:123559>NUM<0003>SEQ<0001>COMPRN<10250483,4111540,4111540,109999,109999,110543,97210521>ROLESTAGE<1;10250483;1;reactant>STAGE<2;109999;1;reagent>STAGE<1;4111540;1;reagent>STAGE<1;109999;1;solvent>STAGE<2;110543;1;solvent>STAGE<2;97210521;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 258 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 258 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<682>ISM<"[CH3][CH]([CH3])[C](=[O])[O][c]1[c]([cH][c]([CH3])[cH][c]1[C]([CH3])([CH3])[CH3])[C]([CH3])([CH3])[CH3].[CH3][Si]([CH3])([CH3])[Cl]>[7Li][CH2][CH2][CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1.[CH3][CH2][CH2][CH2][CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1>[CH3][CH2][CH2][CH2][C](=[C]([CH3])[CH3])[O][Si]([CH3])([CH3])[CH3].[CH3][c]1[cH][c]([c]([O][Si]([CH3])([CH3])[CH3])[c]([cH]1)[C]([CH3])([CH3])[CH3])[C]([CH3])([CH3])[CH3]">CAN<103:123559>NUM<0005>SEQ<0001>COMPRN<97190471,75774,109728,109999,110543,109999,97190482,18510491>ROLESTAGE<1;97190471;1;reactant>STAGE<2;75774;1;reactant>STAGE<1;109728;1;reagent>STAGE<1;109999;1;solvent>STAGE<2;109999;1;solvent>STAGE<1;110543;1;solvent>STAGE<2;18510491;1;product>STAGE<2;97190482;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 258 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 258 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 258 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 258 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 1) (dy_rmbord) WARNING: Atom has high valence 4 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<686>ISM<"[7Li][C:1](=[C:3]([CH3:5])[CH3:6])[C:2](=[C:4]([CH3:7])[CH3:8])[7Li]>[2HH255][O][2HH255]>[2HH255][C:1](=[C:3]([CH3:5])[CH3:6])[C:2](=[C:4]([CH3:7])[CH3:8])[2HH255]">CAN<103:123558>NUM<0006>SEQ<0001>COMPRN<96445431,7789200,96445453>ROLESTAGE<0;96445431;1;reactant>STAGE<0;7789200;1;reagent>STAGE<0;96445453;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<687>ISM<"[7Li][C:1](=[C:3]([CH3:5])[CH3:6])[C:2](=[C:4]([CH3:7])[CH3:8])[7Li].[CH3][O][S](=[O])(=[O])[O][CH3]>>[CH3:5][C:3](=[C:1]([CH3])[C:2](=[C:4]([CH3:7])[CH3:8])[CH3])[CH3:6]">CAN<103:123558>NUM<0007>SEQ<0001>COMPRN<96445431,77781,1114063>ROLESTAGE<0;77781;1;reactant>STAGE<0;96445431;1;reactant>STAGE<0;1114063;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<732>ISM<"[CH2:12]1[CH2:15][O:18][CH2:22][CH2:21][N:17]2[CH2:20][CH2:23][O:19][CH2:16][CH2:13][O:10][CH2:7][CH2:4][N:1]([CH2:3][CH2:6][O:9]1)[CH2:2][CH2:5][O:8][CH2:11][CH2:14]2>[7Li][127I].[Cl][CH]([Cl])[Cl]>[127I-].[CH2:15]1[CH2:12][O:9]2[CH2:6][CH2:3][N:1]3([CH2:4][CH2:7][O:10]4[CH2:13][CH2:16][O:19]5[CH2:23][CH2:20][N:17]67[CH2:21][CH2:22][O:18]1[7Li+]25473[O:8]8[CH2:11][CH2:14]6)[CH2:2][CH2:5]8">CAN<103:123463>NUM<0035>SEQ<0001>COMPRN<31364428,10377512,67663,57064207,57064207>ROLESTAGE<0;31364428;1;reactant>STAGE<0;10377512;1;reagent>STAGE<0;67663;1;solvent>STAGE<0;57064207;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<733>ISM<"[CH2:12]1[CH2:15][O:18][CH2:22][CH2:21][N:17]2[CH2:20][CH2:23][O:19][CH2:16][CH2:13][O:10][CH2:7][CH2:4][N:1]([CH2:3][CH2:6][O:9]1)[CH2:2][CH2:5][O:8][CH2:11][CH2:14]2>[Li][127I].[Cl][CH]([Cl])[Cl]>[127I-].[CH2:15]1[CH2:12][O:9]2[CH2:6][CH2:3][N:1]3([CH2:4][CH2:7][O:10]4[CH2:13][CH2:16][O:19]5[CH2:23][CH2:20][N:17]67[CH2:21][CH2:22][O:18]1[Li+]25473[O:8]8[CH2:11][CH2:14]6)[CH2:2][CH2:5]8">CAN<103:123463>NUM<0036>SEQ<0001>COMPRN<31364428,7681825,67663,57064161,57064161>ROLESTAGE<0;31364428;1;reactant>STAGE<0;7681825;1;reagent>STAGE<0;67663;1;solvent>STAGE<0;57064161;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<734>ISM<"[CH2:12]1[CH2:15][O:18][CH2:22][CH2:21][N:17]2[CH2:20][CH2:23][O:19][CH2:16][CH2:13][O:10][CH2:7][CH2:4][N:1]([CH2:3][CH2:6][O:9]1)[CH2:2][CH2:5][O:8][CH2:11][CH2:14]2>[39K][127I].[Cl][CH]([Cl])[Cl]>[127I-].[CH2:15]1[CH2:12][O:9]2[CH2:6][CH2:3][N:1]3([CH2:4][CH2:7][O:10]4[CH2:13][CH2:16][O:19]5[CH2:23][CH2:20][N:17]67[CH2:21][CH2:22][O:18]1[39K+]25473[O:8]8[CH2:11][CH2:14]6)[CH2:2][CH2:5]8">CAN<103:123463>NUM<0037>SEQ<0001>COMPRN<31364428,7681110,67663,97467011,97467011>ROLESTAGE<0;31364428;1;reactant>STAGE<0;7681110;1;reagent>STAGE<0;67663;1;solvent>STAGE<0;97467011;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<735>ISM<"[CH3:37][CH2:36][CH2:35][CH2:33][CH2:30][CH2:25][CH2:20][CH2:16][CH2:13][CH2:10][CH2:7][CH2:4][CH2:2][CH2:1][CH:3]1[CH2:6][O:9][CH2:12][CH2:15][N:19]2[CH2:24][CH2:29][O:32][CH2:34][CH2:31][O:27][CH2:22][CH2:18][N:14]([CH2:17][CH2:21][O:26][CH2:28][CH2:23]2)[CH2:11][CH2:8][O:5]1>[Li][127I].[Cl][CH]([Cl])[Cl]>[127I-].[CH3:37][CH2:36][CH2:35][CH2:33][CH2:30][CH2:25][CH2:20][CH2:16][CH2:13][CH2:10][CH2:7][CH2:4][CH2:2][CH2:1][CH:3]1[CH2:6][O:9]2[CH2:12][CH2:15][N:19]3([CH2:24][CH2:29][O:32]4[CH2:34][CH2:31][O:27]5[CH2:22][CH2:18][N:14]67[CH2:17][CH2:21][O:26]8[CH2:28][CH2:23]3)[Li+]45827[O:5]1[CH2:8][CH2:11]6">CAN<103:123463>NUM<0038>SEQ<0001>COMPRN<97431408,7681825,67663,97485933,97485933>ROLESTAGE<0;97431408;1;reactant>STAGE<0;7681825;1;reagent>STAGE<0;67663;1;solvent>STAGE<0;97485933;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<736>ISM<"[CH2:14]1[CH2:11][O:8][CH2:5][CH2:2][N:1]2[CH2:4][CH2:7][O:10][CH2:13][CH2:16][O:19][CH2:22][CH2:25][N:26]([CH2:23][CH2:20][O:17]1)[CH2:24][CH2:21][O:18][CH2:15][CH2:12][O:9][CH2:6][CH2:3]2>[39K][127I].[Cl][CH]([Cl])[Cl]>[127I-].[CH2:14]1[CH2:11][O:8]2[CH2:5][CH2:2][N:1]34[CH2:3][CH2:6][O:9]5[CH2:12][CH2:15][O:18]6[CH2:21][CH2:24][N:26]7([CH2:23][CH2:20][O:17]1[39K+]264587[O:19]9[CH2:16][CH2:13][O:10]8[CH2:7][CH2:4]3)[CH2:25][CH2:22]9">CAN<103:123463>NUM<0039>SEQ<0001>COMPRN<23978098,7681110,67663,33636952,33636952>ROLESTAGE<0;23978098;1;reactant>STAGE<0;7681110;1;reagent>STAGE<0;67663;1;solvent>STAGE<0;33636952;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<737>ISM<"[CH2:14]1[CH2:11][O:8][CH2:5][CH2:2][N:1]2[CH2:4][CH2:7][O:10][CH2:13][CH2:16][O:19][CH2:22][CH2:25][N:26]([CH2:23][CH2:20][O:17]1)[CH2:24][CH2:21][O:18][CH2:15][CH2:12][O:9][CH2:6][CH2:3]2>[Li][127I].[Cl][CH]([Cl])[Cl]>[127I-].[CH2:14]1[CH2:11][O:8]2[CH2:5][CH2:2][N:1]34[CH2:3][CH2:6][O:9]5[CH2:12][CH2:15][O:18]6[CH2:21][CH2:24][N:26]7([CH2:23][CH2:20][O:17]1[Li+]264587[O:19]9[CH2:16][CH2:13][O:10]8[CH2:7][CH2:4]3)[CH2:25][CH2:22]9">CAN<103:123463>NUM<0040>SEQ<0001>COMPRN<23978098,7681825,67663,50648447,50648447>ROLESTAGE<0;23978098;1;reactant>STAGE<0;7681825;1;reagent>STAGE<0;67663;1;solvent>STAGE<0;50648447;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<738>ISM<"[O]=[C:1]1[O:3][C:6](=[O:9])[c:4]2[cH:7][cH:10][cH:8][cH:5][c:2]12.[O:11]=[C:12]1[O:14][C:17](=[O:20])[c:15]2[cH:18][cH:21][cH:19][cH:16][c:13]12.[NH2:31][C:27]1=[N:28][CH:25]1[C:22](=[O:24])[NH:23][c:26]2[cH:29][cH:32][cH:34][cH:33][cH:30]2.[NH2:44][C:40]1=[N:41][CH:38]1[C:35](=[O:37])[NH:36][c:39]2[cH:42][cH:45][cH:47][cH:46][cH:43]2>>[O:37]=[C:35]([NH:36][c:39]1[cH:43][cH:46][cH:47][cH:45][cH:42]1)[CH:38]2[CH2:40][NH:44][C:1](=[O:3])[c:2]3[cH:5][cH:8][cH:10][cH:7][c:4]3[C:6](=[O:9])[NH:41]2.[NH2:31][C:27](=[O])[CH:25]([NH:28][C:17](=[O:20])[c:15]1[cH:18][cH:21][cH:19][cH:16][c:13]1[C:12](=[O:11])[OH:14])[C:22](=[O:24])[NH:23][c:26]2[cH:30][cH:33][cH:34][cH:32][cH:29]2">CAN<103:123462>NUM<0001>SEQ<0001>COMPRN<85449,85449,94744442,94744442,98293357,98293379>ROLESTAGE<0;85449;2;reactant>STAGE<0;94744442;2;reactant>STAGE<0;98293357;1;product>STAGE<0;98293379;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<740>ISM<"[CH3:2][N:1]([CH3:3])[c:4]1[n:5][s:7]2[n:9][c:11]([n:10][s:8]2[n:6]1)[N:12]([CH3:14])[CH3:13]>[Cl][Cl].[CH3][C]#[N]>[Cl][Cl-][Cl].[CH3:14][N:12]([CH3:13])[C:11]1=[N:9][S+:7]([Cl])[N:5]=[C:4]([N:6]=[S:8]=[N:10]1)[N:1]([CH3:2])[CH3:3]">CAN<103:123461>NUM<0001>SEQ<0001>COMPRN<89909079,7782505,75058,18434338,98154564>ROLESTAGE<0;89909079;1;reactant>STAGE<0;7782505;1;reagent>STAGE<0;75058;1;solvent>STAGE<0;98154575;1;product>MCOMPRN<98154575;18434338;1>MCOMPRN<98154575;98154564;1>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<741>ISM<"[O:1]=[C:2]1[C:4]2([CH2:9][N:11]3[CH2][N:12]([CH2:8]2)[CH2:6][C:3]1([CH2:5]3)[c:7]4[cH:14][cH:18][cH:21][cH:17][cH:13]4)[c:10]5[cH:16][cH:20][cH:22][cH:19][cH:15]5>[Li].[OH][N]=[O].[ClH]>[O]=[N][N:12]1[CH2:6][C:3]2([CH2:5][N:11]([CH2:9][C:4]([CH2:8]1)([C:2]2=[O:1])[c:10]3[cH:15][cH:19][cH:22][cH:20][cH:16]3)[N]=[O])[c:7]4[cH:13][cH:17][cH:21][cH:18][cH:14]4">CAN<103:123460>NUM<0009>SEQ<0001>COMPRN<19066354,7632000,7632000,7647010,98230081>ROLESTAGE<0;19066354;1;reactant>STAGE<0;7632000;1;reagent>STAGE<0;7647010;1;reagent>STAGE<0;98230081;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<748>ISM<"[ClH].[OH:1][c:2]1[cH:4][cH:7][cH:10][cH:6][c:3]1[CH:5]2[CH2:8][C:11](=[O])[NH:13][CH2:15][CH2:17][NH:19][CH2:21][CH2:20][CH2:18][NH:16][CH2:14][CH2:12][NH:9]2>[H]1[BH][H][BH]1.[CH2]1[CH2][CH2][O][CH2]1>[OH:1][c:2]1[cH:4][cH:7][cH:10][cH:6][c:3]1[CH:5]2[CH2:8][CH2:11][NH:13][CH2:15][CH2:17][NH:19][CH2:21][CH2:20][CH2:18][NH:16][CH2:14][CH2:12][NH:9]2">CAN<103:123459>NUM<0004>SEQ<0001>COMPRN<98096209,98096209,19287457,109999,98114091>ROLESTAGE<0;98096209;1;reactant>STAGE<0;19287457;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;98114091;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<749>ISM<"[OH:1][c:2]1[cH:4][cH:7][cH:10][cH:6][c:3]1[CH:5]2[CH2:8][CH2:11][NH:13][CH2:15][CH2:17][NH:19][CH2:21][CH2:20][CH2:18][NH:16][CH2:14][CH2:12][NH:9]2>[OH][56Fe]([OH])[OH]>[CH2:17]1[CH2:15][NH:13]2[CH2:11][CH2:8][CH:5]3[NH:9]4[CH2:12][CH2:14][NH:16]5[CH2:18][CH2:20][CH2:21][NH:19]1[56Fe+3]524[O-:1][c:2]6[cH:4][cH:7][cH:10][cH:6][c:3]36">CAN<103:123459>NUM<0007>SEQ<0001>COMPRN<98114091,1309337,98075991>ROLESTAGE<0;98114091;1;reactant>STAGE<0;1309337;1;reagent>STAGE<0;98075991;1;product>| Error messages: WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) WARNING: Atom has high valence 2 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<791>ISM<"[2HH255][c:19]1[c:18]([2HH255])[c:15]([2HH255])[c:11]([C:7]2=[N:8][N:5]=[C:3]([N:2]([CH3:1])[NH:4]2)[c:6]3[c:10]([2HH255])[c:13]([2HH255])[c:16]([2HH255])[c:12]([2HH255])[c:9]3[2HH255])[c:14]([2HH255])[c:17]1[2HH255]>[CH3][c]1[cH][cH][c]([NH][c]2[cH][cH][c]([CH3])[cH][cH]2)[cH][cH]1.[CH3][c]1[cH][cH][cH][cH][cH]1.[N]#[N]>[2HH255][c:19]1[c:18]([2HH255])[c:15]([2HH255])[c:11]([C:7]2=[N:8][N:5]=[C:3]([N:2]([CH3:1])[NH:4]2)[c:6]3[c:10]([2HH255])[c:13]([2HH255])[c:16]([2HH255])[c:12]([2HH255])[c:9]3[2HH255])[c:14]([2HH255])[c:17]1[2HH255]">CAN<103:123455>NUM<0002>SEQ<0001>COMPRN<97990299,1942230,108883,7727379,97990244>ROLESTAGE<0;97990299;1;reactant>STAGE<0;1942230;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;97990244;1;product>NOTES<"Photchem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<792>ISM<"[2HH255][c:19]1[c:18]([2HH255])[c:15]([2HH255])[c:11]([C:7]2=[N:8][N:5]=[C:3]([N:2]([CH3:1])[NH:4]2)[c:6]3[c:10]([2HH255])[c:13]([2HH255])[c:16]([2HH255])[c:12]([2HH255])[c:9]3[2HH255])[c:14]([2HH255])[c:17]1[2HH255]>[CH3][c]1[cH][cH][c]([NH][c]2[cH][cH][c]([CH3])[cH][cH]2)[cH][cH]1.[cH]1[cH][cH][cH][cH][cH]1.[N]#[N]>[2HH255][c:19]1[c:18]([2HH255])[c:15]([2HH255])[c:11]([C:7]2=[N:8][N:5]=[C:3]([N:2]([CH3:1])[NH:4]2)[c:6]3[c:10]([2HH255])[c:13]([2HH255])[c:16]([2HH255])[c:12]([2HH255])[c:9]3[2HH255])[c:14]([2HH255])[c:17]1[2HH255]">CAN<103:123455>NUM<0002>SEQ<0002>COMPRN<97990299,1942230,71432,7727379,97990244>ROLESTAGE<0;97990299;1;reactant>STAGE<0;1942230;1;reagent>STAGE<0;71432;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;97990244;1;product>NOTES<"Photchem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<793>ISM<"[2HH255][c:19]1[c:17]([2HH255])[c:14]([2HH255])[c:11]([C:7]2=[N:8][N:5]=[C:3]([N:2]([NH:4]2)[C:1]([2HH255])([2HH255])[2HH255])[c:6]3[c:9]([2HH255])[c:12]([2HH255])[c:16]([2HH255])[c:13]([2HH255])[c:10]3[2HH255])[c:15]([2HH255])[c:18]1[2HH255]>[CH3][c]1[cH][cH][c]([NH][c]2[cH][cH][c]([CH3])[cH][cH]2)[cH][cH]1.[CH3][c]1[cH][cH][cH][cH][cH]1.[N]#[N]>[2HH255][c:19]1[c:17]([2HH255])[c:14]([2HH255])[c:11]([C:7]2=[N:8][N:5]=[C:3]([N:2]([NH:4]2)[C:1]([2HH255])([2HH255])[2HH255])[c:6]3[c:9]([2HH255])[c:12]([2HH255])[c:16]([2HH255])[c:13]([2HH255])[c:10]3[2HH255])[c:15]([2HH255])[c:18]1[2HH255]">CAN<103:123455>NUM<0003>SEQ<0001>COMPRN<97990302,1942230,108883,7727379,97990255>ROLESTAGE<0;97990302;1;reactant>STAGE<0;1942230;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;97990255;1;product>NOTES<"Photchem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<794>ISM<"[2HH255][c:19]1[c:17]([2HH255])[c:14]([2HH255])[c:11]([C:7]2=[N:8][N:5]=[C:3]([N:2]([NH:4]2)[C:1]([2HH255])([2HH255])[2HH255])[c:6]3[c:9]([2HH255])[c:12]([2HH255])[c:16]([2HH255])[c:13]([2HH255])[c:10]3[2HH255])[c:15]([2HH255])[c:18]1[2HH255]>[CH3][c]1[cH][cH][c]([NH][c]2[cH][cH][c]([CH3])[cH][cH]2)[cH][cH]1.[cH]1[cH][cH][cH][cH][cH]1.[N]#[N]>[2HH255][c:19]1[c:17]([2HH255])[c:14]([2HH255])[c:11]([C:7]2=[N:8][N:5]=[C:3]([N:2]([NH:4]2)[C:1]([2HH255])([2HH255])[2HH255])[c:6]3[c:9]([2HH255])[c:12]([2HH255])[c:16]([2HH255])[c:13]([2HH255])[c:10]3[2HH255])[c:15]([2HH255])[c:18]1[2HH255]">CAN<103:123455>NUM<0003>SEQ<0002>COMPRN<97990302,1942230,71432,7727379,97990255>ROLESTAGE<0;97990302;1;reactant>STAGE<0;1942230;1;reagent>STAGE<0;71432;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;97990255;1;product>NOTES<"Photchem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<795>ISM<"[2HH255][c:19]1[c:18]([2HH255])[c:15]([2HH255])[c:11]([C:7]2=[15N:8][15N:5]=[C:3]([N:2]([CH3:1])[NH:4]2)[c:6]3[c:10]([2HH255])[c:13]([2HH255])[c:16]([2HH255])[c:12]([2HH255])[c:9]3[2HH255])[c:14]([2HH255])[c:17]1[2HH255]>[CH3][c]1[cH][cH][c]([NH][c]2[cH][cH][c]([CH3])[cH][cH]2)[cH][cH]1.[CH3][c]1[cH][cH][cH][cH][cH]1.[N]#[N]>[2HH255][c:19]1[c:18]([2HH255])[c:15]([2HH255])[c:11]([C:7]2=[15N:8][15N:5]=[C:3]([N:2]([CH3:1])[NH:4]2)[c:6]3[c:10]([2HH255])[c:13]([2HH255])[c:16]([2HH255])[c:12]([2HH255])[c:9]3[2HH255])[c:14]([2HH255])[c:17]1[2HH255]">CAN<103:123455>NUM<0004>SEQ<0001>COMPRN<97990313,1942230,108883,7727379,98004376>ROLESTAGE<0;97990313;1;reactant>STAGE<0;1942230;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;98004376;1;product>NOTES<"Photchem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<796>ISM<"[2HH255][c:19]1[c:18]([2HH255])[c:15]([2HH255])[c:11]([C:7]2=[15N:8][15N:5]=[C:3]([N:2]([CH3:1])[NH:4]2)[c:6]3[c:10]([2HH255])[c:13]([2HH255])[c:16]([2HH255])[c:12]([2HH255])[c:9]3[2HH255])[c:14]([2HH255])[c:17]1[2HH255]>[CH3][c]1[cH][cH][c]([NH][c]2[cH][cH][c]([CH3])[cH][cH]2)[cH][cH]1.[cH]1[cH][cH][cH][cH][cH]1.[N]#[N]>[2HH255][c:19]1[c:18]([2HH255])[c:15]([2HH255])[c:11]([C:7]2=[15N:8][15N:5]=[C:3]([N:2]([CH3:1])[NH:4]2)[c:6]3[c:10]([2HH255])[c:13]([2HH255])[c:16]([2HH255])[c:12]([2HH255])[c:9]3[2HH255])[c:14]([2HH255])[c:17]1[2HH255]">CAN<103:123455>NUM<0004>SEQ<0002>COMPRN<97990313,1942230,71432,7727379,98004376>ROLESTAGE<0;97990313;1;reactant>STAGE<0;1942230;1;reagent>STAGE<0;71432;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;98004376;1;product>NOTES<"Photchem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<797>ISM<"[2HH255][c:25]1[c:24]([2HH255])[c:21]([2HH255])[c:16]([C:10]2=[N:13][N:8]=[C:4]([N:2]([CH2:1][c:3]3[cH:7][cH:12][cH:17][cH:11][cH:6]3)[NH:5]2)[c:9]4[c:15]([2HH255])[c:19]([2HH255])[c:22]([2HH255])[c:18]([2HH255])[c:14]4[2HH255])[c:20]([2HH255])[c:23]1[2HH255]>[CH3][c]1[cH][cH][c]([NH][c]2[cH][cH][c]([CH3])[cH][cH]2)[cH][cH]1.[CH3][c]1[cH][cH][cH][cH][cH]1.[N]#[N]>[2HH255][c:25]1[c:24]([2HH255])[c:21]([2HH255])[c:16]([C:10]2=[N:13][N:8]=[C:4]([N:2]([CH2:1][c:3]3[cH:7][cH:12][cH:17][cH:11][cH:6]3)[NH:5]2)[c:9]4[c:15]([2HH255])[c:19]([2HH255])[c:22]([2HH255])[c:18]([2HH255])[c:14]4[2HH255])[c:20]([2HH255])[c:23]1[2HH255]">CAN<103:123455>NUM<0005>SEQ<0001>COMPRN<97990324,1942230,108883,7727379,97990266>ROLESTAGE<0;97990324;1;reactant>STAGE<0;1942230;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;97990266;1;product>NOTES<"Photchem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<798>ISM<"[2HH255][c:25]1[c:24]([2HH255])[c:21]([2HH255])[c:16]([C:10]2=[N:13][N:8]=[C:4]([N:2]([CH2:1][c:3]3[cH:7][cH:12][cH:17][cH:11][cH:6]3)[NH:5]2)[c:9]4[c:15]([2HH255])[c:19]([2HH255])[c:22]([2HH255])[c:18]([2HH255])[c:14]4[2HH255])[c:20]([2HH255])[c:23]1[2HH255]>[CH3][c]1[cH][cH][c]([NH][c]2[cH][cH][c]([CH3])[cH][cH]2)[cH][cH]1.[cH]1[cH][cH][cH][cH][cH]1.[N]#[N]>[2HH255][c:25]1[c:24]([2HH255])[c:21]([2HH255])[c:16]([C:10]2=[N:13][N:8]=[C:4]([N:2]([CH2:1][c:3]3[cH:7][cH:12][cH:17][cH:11][cH:6]3)[NH:5]2)[c:9]4[c:15]([2HH255])[c:19]([2HH255])[c:22]([2HH255])[c:18]([2HH255])[c:14]4[2HH255])[c:20]([2HH255])[c:23]1[2HH255]">CAN<103:123455>NUM<0005>SEQ<0002>COMPRN<97990324,1942230,71432,7727379,97990266>ROLESTAGE<0;97990324;1;reactant>STAGE<0;1942230;1;reagent>STAGE<0;71432;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;97990266;1;product>NOTES<"Photchem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<799>ISM<"[2HH255][c:25]1[c:24]([2HH255])[c:21]([2HH255])[c:16]([C:10]2=[N:13][N:8]=[C:4]([N:2]([CH2:1][c:3]3[cH:7][cH:12][cH:17][cH:11][cH:6]3)[15NH:5]2)[c:9]4[c:15]([2HH255])[c:19]([2HH255])[c:22]([2HH255])[c:18]([2HH255])[c:14]4[2HH255])[c:20]([2HH255])[c:23]1[2HH255]>[CH3][c]1[cH][cH][c]([NH][c]2[cH][cH][c]([CH3])[cH][cH]2)[cH][cH]1.[CH3][c]1[cH][cH][cH][cH][cH]1.[N]#[N]>[2HH255][c:25]1[c:24]([2HH255])[c:21]([2HH255])[c:16]([C:10]2=[N:13][N:8]=[C:4]([N:2]([CH2:1][c:3]3[cH:7][cH:12][cH:17][cH:11][cH:6]3)[15NH:5]2)[c:9]4[c:15]([2HH255])[c:19]([2HH255])[c:22]([2HH255])[c:18]([2HH255])[c:14]4[2HH255])[c:20]([2HH255])[c:23]1[2HH255]">CAN<103:123455>NUM<0006>SEQ<0001>COMPRN<97990335,1942230,108883,7727379,97990277>ROLESTAGE<0;97990335;1;reactant>STAGE<0;1942230;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;97990277;1;product>NOTES<"Photchem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<800>ISM<"[2HH255][c:25]1[c:24]([2HH255])[c:21]([2HH255])[c:16]([C:10]2=[N:13][N:8]=[C:4]([N:2]([CH2:1][c:3]3[cH:7][cH:12][cH:17][cH:11][cH:6]3)[15NH:5]2)[c:9]4[c:15]([2HH255])[c:19]([2HH255])[c:22]([2HH255])[c:18]([2HH255])[c:14]4[2HH255])[c:20]([2HH255])[c:23]1[2HH255]>[CH3][c]1[cH][cH][c]([NH][c]2[cH][cH][c]([CH3])[cH][cH]2)[cH][cH]1.[cH]1[cH][cH][cH][cH][cH]1.[N]#[N]>[2HH255][c:25]1[c:24]([2HH255])[c:21]([2HH255])[c:16]([C:10]2=[N:13][N:8]=[C:4]([N:2]([CH2:1][c:3]3[cH:7][cH:12][cH:17][cH:11][cH:6]3)[15NH:5]2)[c:9]4[c:15]([2HH255])[c:19]([2HH255])[c:22]([2HH255])[c:18]([2HH255])[c:14]4[2HH255])[c:20]([2HH255])[c:23]1[2HH255]">CAN<103:123455>NUM<0006>SEQ<0002>COMPRN<97990335,1942230,71432,7727379,97990277>ROLESTAGE<0;97990335;1;reactant>STAGE<0;1942230;1;reagent>STAGE<0;71432;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;97990277;1;product>NOTES<"Photchem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<801>ISM<"[CH3:1][127I].[cH:2]1[n:3][n:5][cH:7][n:6][n:4]1>[24Mg].[NH4][Cl].[CH3][CH2][O][CH2][CH3].[OH2]>[CH3:1][N:3]1[NH:5][CH:7]=[N:6][N:4]=[CH:2]1">CAN<103:123455>NUM<0007>SEQ<0001>COMPRN<74884,290960,7439954,12125029,60297,7732185,97990288>ROLESTAGE<1;74884;1;reactant>STAGE<1;290960;1;reactant>STAGE<1;7439954;1;reagent>STAGE<2;12125029;1;reagent>STAGE<1;60297;1;solvent>STAGE<2;7732185;1;solvent>STAGE<2;97990288;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<802>ISM<"[CH3:1][127I].[2HH255][c:19]1[c:18]([2HH255])[c:16]([2HH255])[c:13]([c:15]([2HH255])[c:17]1[2HH255])[c:10]2[n:6][n:3][c:2]([n:4][n:7]2)[c:5]3[c:9]([2HH255])[c:12]([2HH255])[c:14]([2HH255])[c:11]([2HH255])[c:8]3[2HH255]>[24Mg].[NH4][Cl].[CH3][CH2][O][CH2][CH3].[Cl][CH2][Cl].[OH2]>[2HH255][c:19]1[c:18]([2HH255])[c:16]([2HH255])[c:13]([C:10]2=[N:7][N:4]=[C:2]([N:3]([CH3:1])[NH:6]2)[c:5]3[c:9]([2HH255])[c:12]([2HH255])[c:14]([2HH255])[c:11]([2HH255])[c:8]3[2HH255])[c:15]([2HH255])[c:17]1[2HH255]">CAN<103:123455>NUM<0008>SEQ<0001>COMPRN<74884,97990380,7439954,12125029,60297,75092,7732185,97990299>ROLESTAGE<1;74884;1;reactant>STAGE<1;97990380;1;reactant>STAGE<1;7439954;1;reagent>STAGE<2;12125029;1;reagent>STAGE<1;60297;1;solvent>STAGE<1;75092;1;solvent>STAGE<2;7732185;1;solvent>STAGE<2;97990299;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<803>ISM<"[2HH255][C:1]([2HH255])([2HH255])[127I].[2HH255][c:19]1[c:18]([2HH255])[c:16]([2HH255])[c:13]([c:15]([2HH255])[c:17]1[2HH255])[c:10]2[n:6][n:3][c:2]([n:4][n:7]2)[c:5]3[c:9]([2HH255])[c:12]([2HH255])[c:14]([2HH255])[c:11]([2HH255])[c:8]3[2HH255]>[24Mg].[NH4][Cl].[CH3][CH2][O][CH2][CH3].[Cl][CH2][Cl].[OH2]>[2HH255][c:19]1[c:17]([2HH255])[c:15]([2HH255])[c:13]([C:10]2=[N:7][N:4]=[C:2]([N:3]([NH:6]2)[C:1]([2HH255])([2HH255])[2HH255])[c:5]3[c:8]([2HH255])[c:11]([2HH255])[c:14]([2HH255])[c:12]([2HH255])[c:9]3[2HH255])[c:16]([2HH255])[c:18]1[2HH255]">CAN<103:123455>NUM<0009>SEQ<0001>COMPRN<865509,97990380,7439954,12125029,60297,75092,7732185,97990302>ROLESTAGE<1;865509;1;reactant>STAGE<1;97990380;1;reactant>STAGE<1;7439954;1;reagent>STAGE<2;12125029;1;reagent>STAGE<1;60297;1;solvent>STAGE<1;75092;1;solvent>STAGE<2;7732185;1;solvent>STAGE<2;97990302;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<804>ISM<"[CH3:2][NH:1][NH2:3].[2HH255][c:19]1[c:18]([2HH255])[c:16]([2HH255])[c:13]([C:10](=[15N:7][15N:5]=[C:4]([Cl])[c:6]2[c:8]([2HH255])[c:11]([2HH255])[c:14]([2HH255])[c:12]([2HH255])[c:9]2[2HH255])[Cl])[c:15]([2HH255])[c:17]1[2HH255]>[cH]1[cH][cH][cH][cH][cH]1>[2HH255][c:19]1[c:18]([2HH255])[c:16]([2HH255])[c:13]([C:10]2=[15N:7][15N:5]=[C:4]([N:1]([CH3:2])[NH:3]2)[c:6]3[c:9]([2HH255])[c:12]([2HH255])[c:14]([2HH255])[c:11]([2HH255])[c:8]3[2HH255])[c:15]([2HH255])[c:17]1[2HH255]">CAN<103:123455>NUM<0010>SEQ<0001>COMPRN<60344,97990357,71432,97990313>ROLESTAGE<0;60344;1;reactant>STAGE<0;97990357;1;reactant>STAGE<0;71432;1;solvent>STAGE<0;97990313;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<805>ISM<"[Br][CH2:1][c:2]1[cH:3][cH:5][cH:7][cH:6][cH:4]1.[2HH255][c:25]1[c:24]([2HH255])[c:22]([2HH255])[c:19]([c:21]([2HH255])[c:23]1[2HH255])[c:16]2[n:12][n:9][c:8]([n:10][n:13]2)[c:11]3[c:15]([2HH255])[c:18]([2HH255])[c:20]([2HH255])[c:17]([2HH255])[c:14]3[2HH255]>[24Mg].[NH4][Cl].[CH3][CH2][O][CH2][CH3].[Cl][CH2][Cl].[OH2]>[2HH255][c:25]1[c:24]([2HH255])[c:22]([2HH255])[c:19]([C:16]2=[N:13][N:10]=[C:8]([N:9]([CH2:1][c:2]3[cH:4][cH:6][cH:7][cH:5][cH:3]3)[NH:12]2)[c:11]4[c:15]([2HH255])[c:18]([2HH255])[c:20]([2HH255])[c:17]([2HH255])[c:14]4[2HH255])[c:21]([2HH255])[c:23]1[2HH255]">CAN<103:123455>NUM<0011>SEQ<0001>COMPRN<100390,97990380,7439954,12125029,60297,75092,7732185,97990324>ROLESTAGE<1;100390;1;reactant>STAGE<1;97990380;1;reactant>STAGE<1;7439954;1;reagent>STAGE<2;12125029;1;reagent>STAGE<1;60297;1;solvent>STAGE<1;75092;1;solvent>STAGE<2;7732185;1;solvent>STAGE<2;97990324;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<806>ISM<"[2HH255][c:16]1[c:15]([2HH255])[c:13]([2HH255])[c:10]([C:7](=[N:4][N:2]=[C:1]([Cl])[c:3]2[c:5]([2HH255])[c:8]([2HH255])[c:11]([2HH255])[c:9]([2HH255])[c:6]2[2HH255])[Cl])[c:12]([2HH255])[c:14]1[2HH255].[15NH2:20][NH:18][CH2:17][c:19]1[cH:21][cH:23][cH:25][cH:24][cH:22]1>[CH3][CH2][N]([CH2][CH3])[CH2][CH3].[cH]1[cH][cH][cH][cH][cH]1>[2HH255][c:16]1[c:15]([2HH255])[c:13]([2HH255])[c:10]([C:7]2=[N:4][N:2]=[C:1]([N:18]([CH2:17][c:19]3[cH:22][cH:24][cH:25][cH:23][cH:21]3)[15NH:20]2)[c:3]4[c:6]([2HH255])[c:9]([2HH255])[c:11]([2HH255])[c:8]([2HH255])[c:5]4[2HH255])[c:12]([2HH255])[c:14]1[2HH255]">CAN<103:123455>NUM<0012>SEQ<0001>COMPRN<97990368,97990379,121448,71432,97990335>ROLESTAGE<0;97990368;1;reactant>STAGE<0;97990379;1;reactant>STAGE<0;121448;1;reagent>STAGE<0;71432;1;solvent>STAGE<0;97990335;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 5 (normal 3) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<807>ISM<"[2HH255][c:16]1[c:15]([2HH255])[c:13]([2HH255])[c:10]([C:7](=[O])[15NH:4][15NH:2][C:1](=[O])[c:3]2[c:5]([2HH255])[c:8]([2HH255])[c:11]([2HH255])[c:9]([2HH255])[c:6]2[2HH255])[c:12]([2HH255])[c:14]1[2HH255]>[Cl][P]([Cl])([Cl])([Cl])[Cl].[Cl][P]([Cl])([Cl])([Cl])[Cl]>[2HH255][c:16]1[c:15]([2HH255])[c:13]([2HH255])[c:10]([C:7](=[15N:4][15N:2]=[C:1]([Cl])[c:3]2[c:5]([2HH255])[c:8]([2HH255])[c:11]([2HH255])[c:9]([2HH255])[c:6]2[2HH255])[Cl])[c:12]([2HH255])[c:14]1[2HH255]">CAN<103:123455>NUM<0014>SEQ<0001>COMPRN<97990346,10026138,10026138,97990357>ROLESTAGE<0;97990346;1;reactant>STAGE<0;10026138;1;reagent>STAGE<0;10026138;1;solvent>STAGE<0;97990357;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<808>ISM<"[CH3][c]1[cH][cH][c]([cH][cH]1)[N]([N:1]([c:3]2[cH:6][cH:10][c:13]([CH3:15])[cH:11][cH:7]2)[c:2]3[cH:5][cH:9][c:12]([CH3:14])[cH:8][cH:4]3)[c]4[cH][cH][c]([CH3])[cH][cH]4>[CH3][c]1[cH][cH][cH][cH][cH]1.[N]#[N]>[CH3:15][c:13]1[cH:10][cH:6][c:3]([NH:1][c:2]2[cH:4][cH:8][c:12]([CH3:14])[cH:9][cH:5]2)[cH:7][cH:11]1">CAN<103:123455>NUM<0015>SEQ<0001>COMPRN<1807530,108883,7727379,1942230>ROLESTAGE<0;1807530;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;7727379;1;solvent>STAGE<0;1942230;1;product>NOTES<"Photochem.">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<903>ISM<"[OH:14][c:9]1[cH:15][cH:11][c:5]([OH:10])[c:2]2[C:1](=[O])[c:3]3[cH:7][cH:13][cH:16][cH:12][c:6]3[C:8](=[O])[c:4]12>[LiH+].[H-][BH2+3]([H-])([H-])[H-].[CH3][C](=[O])[OH].[CH3][CH2][OH]>[O:10]=[C:5]1[CH:11]=[CH:15][C:9](=[O:14])[c:4]2[cH:8][c:6]3[cH:12][cH:16][cH:13][cH:7][c:3]3[cH:1][c:2]12">CAN<103:123444>NUM<0003>SEQ<0001>COMPRN<81641,16940662,16940662,64197,64175,635121>ROLESTAGE<1;81641;1;reactant>STAGE<2;64197;1;reagent>STAGE<1;16940662;1;reagent>STAGE<1;64175;1;solvent>STAGE<2;635121;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<904>ISM<"[NH2:3][CH2:1][CH2:2][NH2:4].[O]=[C:5]1[CH:7]=[CH:10][C:12](=[O:15])[c:8]2[cH:11][c:14]3[cH:17][cH:19][cH:18][cH:16][c:13]3[cH:9][c:6]12>[Cl][CH2][Cl]>[O:15]=[C:12]1[CH:10]=[C:7]2[NH:3][CH2:1][CH2:2][N:4]=[C:5]2[c:6]3[cH:9][c:13]4[cH:16][cH:18][cH:19][cH:17][c:14]4[cH:11][c:8]13">CAN<103:123444>NUM<0007>SEQ<0001>COMPRN<107153,635121,75092,98055562>ROLESTAGE<0;107153;1;reactant>STAGE<0;635121;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;98055562;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1044>ISM<"[CH3:14][N:9]1[CH2:10][N:7]([C:5](=[C:4]([CH2:6]1)[N:1](=[O:2])=[O:3])[c:8]2[cH:12][cH:17][cH:21][cH:18][cH:13]2)[c:11]3[cH:16][cH:20][cH:22][cH:19][cH:15]3>[LiH+].[H-][BH2+3]([H-])([H-])[H-].[CH3][CH2][OH]>[CH3:14][N:9]1[CH2:6][CH:4]([CH:5]([N:7]([CH2:10]1)[c:11]2[cH:16][cH:20][cH:22][cH:19][cH:15]2)[c:8]3[cH:13][cH:18][cH:21][cH:17][cH:12]3)[N:1](=[O:2])=[O:3]">CAN<103:123430>NUM<0021>SEQ<0001>COMPRN<98294258,16940662,16940662,64175,98294281>ROLESTAGE<0;98294258;1;reactant>STAGE<0;16940662;1;reagent>STAGE<0;64175;1;solvent>STAGE<0;98294281;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1045>ISM<"[CH3:14][N:9]1[CH2:10][N:7]([C:5](=[C:4]([CH2:6]1)[N:1](=[O:2])=[O:3])[c:8]2[cH:12][cH:17][cH:21][cH:18][cH:13]2)[c:11]3[cH:16][cH:20][cH:22][cH:19][cH:15]3>[CH3][127I].[CH2]1[CH2][O][CH2][CH2][O]1>[127I-].[CH3:14][N+:9]1([CH3])[CH2:10][N:7]([C:5](=[C:4]([CH2:6]1)[N:1](=[O:2])=[O:3])[c:8]2[cH:12][cH:17][cH:21][cH:18][cH:13]2)[c:11]3[cH:16][cH:20][cH:22][cH:19][cH:15]3">CAN<103:123430>NUM<0021>SEQ<0002>COMPRN<98294258,74884,123911,98294305,98294305>ROLESTAGE<0;98294258;1;reactant>STAGE<0;74884;1;reagent>STAGE<0;123911;1;solvent>STAGE<0;98294305;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1046>ISM<"[O:2]=[N:1](=[O:3])[C:4]1=[C:5]([N:7]([CH2:10][N:9]([CH2:14][c:19]2[cH:24][cH:27][cH:28][cH:26][cH:23]2)[CH2:6]1)[c:11]3[cH:16][cH:21][cH:25][cH:20][cH:15]3)[c:8]4[cH:12][cH:17][cH:22][cH:18][cH:13]4>[LiH+].[H-][BH2+3]([H-])([H-])[H-].[CH3][CH2][OH]>[O:2]=[N:1](=[O:3])[CH:4]1[CH2:6][N:9]([CH2:14][c:19]2[cH:23][cH:26][cH:28][cH:27][cH:24]2)[CH2:10][N:7]([CH:5]1[c:8]3[cH:13][cH:18][cH:22][cH:17][cH:12]3)[c:11]4[cH:15][cH:20][cH:25][cH:21][cH:16]4">CAN<103:123430>NUM<0022>SEQ<0001>COMPRN<98294269,16940662,16940662,64175,98294292>ROLESTAGE<0;98294269;1;reactant>STAGE<0;16940662;1;reagent>STAGE<0;64175;1;solvent>STAGE<0;98294292;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1047>ISM<"[Cl][C:2](=[N:1][c:3]1[cH:4][cH:6][c:8]([Cl:9])[cH:7][cH:5]1)[Cl].[NH2:24][CH2:21][CH:17]1[CH2:13][N:11]([CH2:10][c:12]2[cH:15][cH:19][cH:23][cH:20][cH:16]2)[CH2:14][CH2:18][CH:22]1[NH2:25]>[CH3][CH2][N]([CH2][CH3])[CH2][CH3].[cH]1[cH][cH][cH][cH][cH]1>[Cl:9][c:8]1[cH:7][cH:5][c:3]([NH:1][C:2]2=[N:24][CH2:21][CH:17]3[CH2:13][N:11]([CH2:10][c:12]4[cH:16][cH:20][cH:23][cH:19][cH:15]4)[CH2:14][CH2:18][CH:22]3[NH:25]2)[cH:4][cH:6]1">CAN<103:123429>NUM<0002>SEQ<0001>COMPRN<2771677,35415395,121448,71432,98083660>ROLESTAGE<0;2771677;1;reactant>STAGE<0;35415395;1;reactant>STAGE<0;121448;1;reagent>STAGE<0;71432;1;solvent>STAGE<0;98083660;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1103>ISM<"[NH:3]1[c:1]2[cH:4][cH:8][cH:10][cH:6][c:2]2[S:5][c:9]3[cH:12][cH:14][cH:13][cH:11][c:7]13.[NH:17]1[c:15]2[cH:18][cH:22][cH:24][cH:20][c:16]2[S:19][c:23]3[cH:26][cH:28][cH:27][cH:25][c:21]13.[NH:31]1[c:29]2[cH:32][cH:36][cH:38][cH:34][c:30]2[S:33][c:37]3[cH:40][cH:42][cH:41][cH:39][c:35]13.[NH:45]1[c:43]2[cH:46][cH:50][cH:52][cH:48][c:44]2[S:47][c:51]3[cH:54][cH:56][cH:55][cH:53][c:49]13>[O]=[127I](=[O])[c]1[cH][cH][cH][cH][cH]1.[CH3][C]1=[O][51V+2]2(=[O])([O]=[C]([CH3])[CH-]1)[O]=[C]([CH3])[CH-][C](=[O]2)[CH3].[cH]1[cH][cH][cH][cH][cH]1>[O]=[c:24]1[cH:22][cH:18][c:15]2[n:17][c:21]3[cH:25][cH:27][cH:28][cH:26][c:23]3[s:19][c:16]2[cH:20]1.[O]=[S:5]1[c:9]2[cH:12][cH:14][cH:13][cH:11][c:7]2[NH:3][c:1]3[cH:4][cH:8][cH:10][cH:6][c:2]13.[O]=[c:56]1[cH:55][cH:53][c:49]2[n:45][c:43]3[cH:46][cH:50][c:52]([cH:48][c:44]3[s:47][c:51]2[cH:54]1)[N:31]4[c:35]5[cH:39][cH:41][cH:42][cH:40][c:37]5[S:33][c:30]6[cH:34][cH:38][cH:36][cH:32][c:29]46">CAN<103:123425>NUM<0001>SEQ<0001>COMPRN<92842,92842,92842,92842,696333,3153262,71432,581306,1207712,23412637>ROLESTAGE<0;92842;4;reactant>STAGE<0;696333;1;reagent>STAGE<0;3153262;1;catalyst>STAGE<0;71432;1;solvent>STAGE<0;581306;1;product>STAGE<0;1207712;1;product>STAGE<0;23412637;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1104>ISM<"[CH3][N:1]1[c:3]2[cH:7][cH:12][cH:14][cH:11][c:6]2[S:8][c:4]3[cH:9][cH:13][cH:10][cH:5][c:2]13.[CH3:15][N:16]1[c:18]2[cH:22][cH:27][cH:29][cH:26][c:21]2[S:23][c:19]3[cH:24][cH:28][cH:25][cH:20][c:17]13.[CH3][N:30]1[c:32]2[cH:36][cH:41][cH:43][cH:40][c:35]2[S:37][c:33]3[cH:38][cH:42][cH:39][cH:34][c:31]13>[O]=[127I](=[O])[c]1[cH][cH][cH][cH][cH]1.[CH3][C]1=[O][51V+2]2(=[O])([O]=[C]([CH3])[CH-]1)[O]=[C]([CH3])[CH-][C](=[O]2)[CH3].[cH]1[cH][cH][cH][cH][cH]1>[O]=[c:13]1[cH:10][cH:5][c:2]2[n:1][c:3]3[cH:7][cH:12][cH:14][cH:11][c:6]3[s:8][c:4]2[cH:9]1.[O]=[S:37]1[c:35]2[cH:40][cH:43][cH:41][cH:36][c:32]2[NH:30][c:31]3[cH:34][cH:39][cH:42][cH:38][c:33]13.[CH3:15][N:16]1[c:18]2[cH:22][cH:27][cH:29][cH:26][c:21]2[S:23](=[O])[c:19]3[cH:24][cH:28][cH:25][cH:20][c:17]13">CAN<103:123425>NUM<0002>SEQ<0001>COMPRN<1207723,1207723,1207723,696333,3153262,71432,581306,1207712,2234095>ROLESTAGE<0;1207723;3;reactant>STAGE<0;696333;1;reagent>STAGE<0;3153262;1;catalyst>STAGE<0;71432;1;solvent>STAGE<0;581306;1;product>STAGE<0;1207712;1;product>STAGE<0;2234095;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 1) (dy_rmbord) WARNING: Atom has high valence 5 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1105>ISM<"[CH3:1][C:2]1([NH:4][c:8]2[cH:14][cH:20][cH:24][cH:19][c:13]2[S:7][CH:3]1[C:6](=[O:11])[c:12]3[cH:18][cH:23][cH:25][cH:22][cH:17]3)[c:5]4[cH:10][cH:16][cH:21][cH:15][cH:9]4>[OH][39K].[CH3][CH2][OH]>[CH3:1][C:2]1([NH:4][c:8]2[cH:14][cH:20][cH:24][cH:19][c:13]2[S:7][CH:3]1[C:6](=[O:11])[c:12]3[cH:18][cH:23][cH:25][cH:22][cH:17]3)[c:5]4[cH:10][cH:16][cH:21][cH:15][cH:9]4">CAN<103:123424>NUM<0013>SEQ<0001>COMPRN<98123387,1310583,64175,98123398>ROLESTAGE<0;98123387;1;reactant>STAGE<0;1310583;1;reagent>STAGE<0;64175;1;solvent>STAGE<0;98123398;1;product>| Error messages: WARNING: Atom has high valence 5 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1144>ISM<"[CH3-:1][90Zr+4:2]12345678([CH3-:3])([CH-:5]9[CH:4]3=[CH:6]5[CH:12]6=[CH:13]91)[CH-:8]%10[CH:9]4=[CH:10]7[CH:7]8=[CH:11]%102.[CH3:37][C-:28](=[O:29])[90Zr+2:16]12345678([O:14]#[C:15][98Mo+2:17]9%10%11%12([C:30]#[O:38])([C:31]#[O:39])[CH-:32]%13[CH:35]%10=[CH:34]%11[CH:33]%12=[CH:36]%139)([CH-:24]%14[CH:27]3=[CH:23]5[CH:26]6=[CH:25]%141)[CH-:21]%15[CH:22]4=[CH:19]7[CH:18]8=[CH:20]%152>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:3][C:28](=[O:29]([90Zr+2:2]12345678([CH3-:1])([CH-:13]9[CH:5]3=[CH:4]5[CH:6]6=[CH:12]91)[CH-:8]%10[CH:11]4=[CH:7]7[CH:10]8=[CH:9]%102)[90Zr+2:16]%11%12%13%14%15%16%17%18([O:14]#[C:15][98Mo+2:17]%19%20%21%22([C:31]#[O:39])([C:30]#[O:38])[CH-:32]%23[CH:36]%20=[CH:33]%21[CH:34]%22=[CH:35]%23%19)([CH-:21]%24[CH:20]%13=[CH:18]%15[CH:19]%16=[CH:22]%24%11)[CH-:24]%25[CH:25]%14=[CH:26]%17[CH:23]%18=[CH:27]%25%12)[CH3:37]">CAN<104:109859>NUM<0004>SEQ<0001>COMPRN<12636725,83291310,108883,99494492>ROLESTAGE<0;12636725;1;reactant>STAGE<0;83291310;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99494492;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1145>ISM<"[CH3-:1][90Zr+4:2]12345678([CH3-:3])([CH-:5]9[CH:4]3=[CH:6]5[CH:12]6=[CH:13]91)[CH-:8]%10[CH:9]4=[CH:10]7[CH:7]8=[CH:11]%102.[CH3:37][13C-:28](=[O:29])[90Zr+2:16]12345678([O:14]#[C:15][98Mo+2:17]9%10%11%12([C:30]#[O:38])([C:31]#[O:39])[CH-:32]%13[CH:35]%10=[CH:34]%11[CH:33]%12=[CH:36]%139)([CH-:24]%14[CH:27]3=[CH:23]5[CH:26]6=[CH:25]%141)[CH-:21]%15[CH:22]4=[CH:19]7[CH:18]8=[CH:20]%152>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:3][13C:28](=[O:29]([90Zr+2:2]12345678([CH3-:1])([CH-:13]9[CH:5]3=[CH:4]5[CH:6]6=[CH:12]91)[CH-:8]%10[CH:11]4=[CH:7]7[CH:10]8=[CH:9]%102)[90Zr+2:16]%11%12%13%14%15%16%17%18([O:14]#[C:15][98Mo+2:17]%19%20%21%22([C:31]#[O:39])([C:30]#[O:38])[CH-:32]%23[CH:36]%20=[CH:33]%21[CH:34]%22=[CH:35]%23%19)([CH-:21]%24[CH:20]%13=[CH:18]%15[CH:19]%16=[CH:22]%24%11)[CH-:24]%25[CH:25]%14=[CH:26]%17[CH:23]%18=[CH:27]%25%12)[CH3:37]">CAN<104:109859>NUM<0006>SEQ<0001>COMPRN<12636725,99494505,108883,99494516>ROLESTAGE<0;12636725;1;reactant>STAGE<0;99494505;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99494516;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1146>ISM<"[H-][98Mo+2:3]1234([C:1]#[O:2])([C:4]#[O:11])([C:5]#[O:12])[CH-:6]5[CH:9]2=[CH:8]3[CH:7]4=[CH:10]51.[CH3:26][C-:16]1([CH:17]2=[CH:24]3[CH:23]4=[CH:18]15)[90Zr+4:14]34625789([CH3-:13])([CH3-])[CH:21]%10=[CH:20]7[C-:15]9([CH3:25])[CH:19]8=[CH:22]%106>>[CH3:26][C-:16]1([CH:17]2=[CH:24]3[CH:23]4=[CH:18]15)[90Zr+2:14]34625789([CH3-:13])([O:2]#[C:1][98Mo+2:3]%10%11%12%13([C:4]#[O:11])([C:5]#[O:12])[CH-:6]%14[CH:10]%11=[CH:7]%12[CH:8]%13=[CH:9]%14%10)[CH:22]%15=[CH:19]7[C-:15]9([CH3:25])[CH:20]8=[CH:21]%156">CAN<104:109859>NUM<0007>SEQ<0001>COMPRN<12176066,68193384,99510415>ROLESTAGE<0;12176066;1;reactant>STAGE<0;68193384;1;reactant>STAGE<0;99510415;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1147>ISM<"[C-:1]#[O+].[CH3:25][C-:12]1([CH:7]2=[CH:16]3[CH:15]4=[CH:8]15)[90Zr+2:4]34625789([CH3-:6])([O:2]#[C:3][98Mo+2:5]%10%11%12%13([C:17]#[O:26])([C:18]#[O:27])[CH-:19]%14[CH:23]%11=[CH:20]%12[CH:21]%13=[CH:22]%14%10)[CH:14]%15=[CH:9]7[C-:11]9([CH3:24])[CH:10]8=[CH:13]%156>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:1][C-:6](=[O])[90Zr+2:4]12345678([O:2]#[C:3][98Mo+2:5]9%10%11%12([C:17]#[O:26])([C:18]#[O:27])[CH-:19]%13[CH:23]%10=[CH:20]%11[CH:21]%12=[CH:22]%139)([CH:15]%14=[CH:8]3[C-:12]7([CH3:25])[CH:10]4=[CH:13]%141)[CH:14]%15=[CH:9]5[C-:11]8([CH3:24])[CH:7]6=[CH:16]%152">CAN<104:109859>NUM<0010>SEQ<0001>COMPRN<630080,99510415,108883,99494527>ROLESTAGE<0;630080;1;reactant>STAGE<0;99510415;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99494527;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1148>ISM<"[CH3:15][C-:5]1([CH:6]2=[CH:13]3[CH:12]4=[CH:7]15)[90Zr+4:2]34625789([CH3-:1])([CH3-:3])[CH:10]%10=[CH:9]7[C-:4]9([CH3:14])[CH:8]8=[CH:11]%106.[CH3:41][C-:30](=[O:31])[90Zr+2:18]12345678([O:16]#[C:17][98Mo+2:19]9%10%11%12([C:32]#[O:42])([C:33]#[O:43])[CH-:34]%13[CH:38]%10=[CH:35]%11[CH:36]%12=[CH:37]%139)([CH:28]%14=[CH:22]3[C-:23]7([CH3:40])[CH:25]4=[CH:26]%141)[CH:27]%15=[CH:24]5[C-:21]8([CH3:39])[CH:20]6=[CH:29]%152>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:3][C:30](=[O:31]([90Zr+2:2]12345678([CH3-:1])([CH:11]9=[CH:8]3[C-:4]7([CH3:14])[CH:9]4=[CH:10]91)[CH:12]%10=[CH:7]5[C-:5]8([CH3:15])[CH:6]6=[CH:13]%102)[90Zr+2:18]%11%12%13%14%15%16%17%18([O:16]#[C:17][98Mo+2:19]%19%20%21%22([C:33]#[O:43])([C:32]#[O:42])[CH-:34]%23[CH:37]%20=[CH:36]%21[CH:35]%22=[CH:38]%23%19)([CH:29]%24=[CH:25]%13[C-:23]%17([CH3:40])[CH:24]%14=[CH:28]%24%11)[CH:27]%25=[CH:22]%15[C-:21]%18([CH3:39])[CH:20]%16=[CH:26]%25%12)[CH3:41]">CAN<104:109859>NUM<0011>SEQ<0001>COMPRN<68193384,99494527,108883,99494538>ROLESTAGE<0;68193384;1;reactant>STAGE<0;99494527;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99494538;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1149>ISM<"[CH3-:1][90Zr+4:2]12345678([CH3-:3])([CH-:5]9[CH:4]3=[CH:6]5[CH:12]6=[CH:13]91)[CH-:8]%10[CH:9]4=[CH:10]7[CH:7]8=[CH:11]%102.[CH3:37][C-:28](=[O:29])[90Zr+2:16]12345678([O:14]#[C:15][184W+2:17]9%10%11%12([C:30]#[O:38])([C:31]#[O:39])[CH-:32]%13[CH:35]%10=[CH:34]%11[CH:33]%12=[CH:36]%139)([CH-:23]%14[CH:27]3=[CH:24]5[CH:25]6=[CH:26]%141)[CH-:21]%15[CH:22]4=[CH:19]7[CH:18]8=[CH:20]%152>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:3][C:28](=[O:29]([90Zr+2:2]12345678([CH3-:1])([CH-:13]9[CH:5]3=[CH:4]5[CH:6]6=[CH:12]91)[CH-:8]%10[CH:11]4=[CH:7]7[CH:10]8=[CH:9]%102)[90Zr+2:16]%11%12%13%14%15%16%17%18([O:14]#[C:15][184W+2:17]%19%20%21%22([C:31]#[O:39])([C:30]#[O:38])[CH-:32]%23[CH:36]%20=[CH:33]%21[CH:34]%22=[CH:35]%23%19)([CH-:21]%24[CH:20]%13=[CH:18]%15[CH:19]%16=[CH:22]%24%11)[CH-:23]%25[CH:26]%14=[CH:25]%17[CH:24]%18=[CH:27]%25%12)[CH3:37]">CAN<104:109859>NUM<0013>SEQ<0001>COMPRN<12636725,95344448,108883,99494549>ROLESTAGE<0;12636725;1;reactant>STAGE<0;95344448;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99494549;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1150>ISM<"[OH:7][C:2](=[O:6])[C:1]([F:3])([F:4])[F:5].[CH3-:8][90Zr+4:9]12345678([CH3-])([CH-:11]9[CH:10]3=[CH:12]5[CH:18]6=[CH:19]91)[CH-:14]%10[CH:15]4=[CH:16]7[CH:13]8=[CH:17]%102>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3-:8][90Zr+4:9]12345678([O-:7][C:2](=[O:6])[C:1]([F:5])([F:4])[F:3])([CH-:14]9[CH:15]3=[CH:16]5[CH:13]6=[CH:17]91)[CH-:19]%10[CH:18]4=[CH:12]7[CH:10]8=[CH:11]%102">CAN<104:109859>NUM<0014>SEQ<0001>COMPRN<76051,12636725,108883,99494550>ROLESTAGE<0;76051;1;reactant>STAGE<0;12636725;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99494550;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1152>ISM<"[CH3-:1][90Zr+4:2]12345678([CH3-:3])([CH-:5]9[CH:4]3=[CH:6]5[CH:12]6=[CH:13]91)[CH-:8]%10[CH:9]4=[CH:10]7[CH:7]8=[CH:11]%102.[CH3:34][C-:29](=[O:30])[90Zr+4:16]12345678([O-:14][C:15](=[O:18])[C:17]([F:33])([F:32])[F:31])([CH-:21]9[CH:28]3=[CH:19]5[CH:20]6=[CH:27]91)[CH-:22]%10[CH:25]4=[CH:24]7[CH:23]8=[CH:26]%102>[2HH255][c]1[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]1[2HH255]>[CH3:3][C:29](=[O:30]([90Zr+3:2]12345678([CH3-:1])([CH-:8]9[CH:11]3=[CH:7]5[CH:10]6=[CH:9]91)[CH-:13]%10[CH:12]4=[CH:6]7[CH:4]8=[CH:5]%102)[90Zr+3:16]%11%12%13%14%15%16%17%18([O-:14][C:15](=[O:18])[C:17]([F:31])([F:33])[F:32])([CH-:21]%19[CH:27]%13=[CH:20]%15[CH:19]%16=[CH:28]%19%11)[CH-:22]%20[CH:25]%14=[CH:24]%17[CH:23]%18=[CH:26]%20%12)[CH3:34]">CAN<104:109859>NUM<0016>SEQ<0001>COMPRN<12636725,99494561,1076433,99476354>ROLESTAGE<0;12636725;1;reactant>STAGE<0;99494561;1;reactant>STAGE<0;1076433;1;solvent>STAGE<0;99476354;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1153>ISM<"[CH3:24][C-:15](=[O:16])[90Zr+2:3]12345678([O:1]#[C:2][98Mo+2:4]9%10%11%12([C:17]#[O:25])([C:18]#[O:26])[CH-:19]%13[CH:22]%10=[CH:21]%11[CH:20]%12=[CH:23]%139)([CH-:11]%14[CH:14]3=[CH:10]5[CH:13]6=[CH:12]%141)[CH-:8]%15[CH:9]4=[CH:6]7[CH:5]8=[CH:7]%152>[7Li].[CH3][CH]([CH3])[NH][CH]([CH3])[CH3].[CH3][CH2][O][CH2][CH3]>[7LiH+].[O:1]#[C:2][98Mo:4]1234([C:17]#[O:25])([C:18]#[O:26])[CH-:19]5[CH:22]2=[CH:21]3[CH:20]4=[CH:23]51.[CH2:24]=[C:15]1=[O:16][90Zr+2:3]234567891([CH-:11]%10[CH:12]4=[CH:13]6[CH:10]7=[CH:14]%102)[CH-:8]%11[CH:9]5=[CH:6]8[CH:5]9=[CH:7]%113">CAN<104:109859>NUM<0017>SEQ<0001>COMPRN<83291310,4111540,4111540,60297,68550414,68550414,99476376>ROLESTAGE<0;83291310;1;reactant>STAGE<0;4111540;1;reagent>STAGE<0;60297;1;solvent>STAGE<0;68550414;1;product>STAGE<0;99476376;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1154>ISM<"[CH3:24][C-:15](=[O:16])[90Zr+2:3]12345678([O:1]#[C:2][98Mo+2:4]9%10%11%12([C:17]#[O:25])([C:18]#[O:26])[CH-:19]%13[CH:22]%10=[CH:21]%11[CH:20]%12=[CH:23]%139)([CH-:11]%14[CH:14]3=[CH:10]5[CH:13]6=[CH:12]%141)[CH-:8]%15[CH:9]4=[CH:6]7[CH:5]8=[CH:7]%152>[7Li][CH3].[CH2]1[CH2][CH2][O][CH2]1>[7LiH+].[O:1]#[C:2][98Mo:4]1234([C:17]#[O:25])([C:18]#[O:26])[CH-:19]5[CH:22]2=[CH:21]3[CH:20]4=[CH:23]51.[CH2:24]=[C:15]1=[O:16][90Zr+2:3]234567891([CH-:11]%10[CH:12]4=[CH:13]6[CH:10]7=[CH:14]%102)[CH-:8]%11[CH:9]5=[CH:6]8[CH:5]9=[CH:7]%113">CAN<104:109859>NUM<0017>SEQ<0002>COMPRN<83291310,917544,109999,68550414,68550414,99476376>ROLESTAGE<0;83291310;1;reactant>STAGE<0;917544;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;68550414;1;product>STAGE<0;99476376;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1155>ISM<"[CH3:26][C:16](=[O:5]([90Zr+2:24]12345678([CH3-:29])([CH-:33]9[CH:32]3=[CH:30]5[CH:31]6=[CH:34]91)[CH-:35]%10[CH:39]4=[CH:36]7[CH:37]8=[CH:38]%102)[90Zr+2:3]%11%12%13%14%15%16%17%18([O:1]#[C:2][98Mo+2:4]%19%20%21%22([C:18]#[O:28])([C:17]#[O:27])[CH-:19]%23[CH:23]%20=[CH:20]%21[CH:21]%22=[CH:22]%23%19)([CH-:8]%24[CH:7]%13=[CH:6]%15[CH:10]%16=[CH:9]%24%11)[CH-:13]%25[CH:14]%14=[CH:15]%17[CH:11]%18=[CH:12]%25%12)[CH3:25].[C-]#[O+]>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:26][C:16](=[O:5]([90Zr+2:24]12345678([CH3-:29])([CH-:33]9[CH:32]3=[CH:30]5[CH:31]6=[CH:34]91)[CH-:35]%10[CH:39]4=[CH:36]7[CH:37]8=[CH:38]%102)[90Zr+2:3]%11%12%13%14%15%16%17%18([O:1]#[C:2][98Mo+2:4]%19%20%21%22([C:18]#[O:28])([C:17]#[O:27])[CH-:19]%23[CH:23]%20=[CH:20]%21[CH:21]%22=[CH:22]%23%19)([CH-:8]%24[CH:7]%13=[CH:6]%15[CH:10]%16=[CH:9]%24%11)[CH-:13]%25[CH:14]%14=[CH:15]%17[CH:11]%18=[CH:12]%25%12)[CH3:25]">CAN<104:109859>NUM<0019>SEQ<0001>COMPRN<99494492,630080,108883,99494492>ROLESTAGE<0;630080;1;reactant>STAGE<0;99494492;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99494492;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1156>ISM<"[CH3:15][C-:5]1([CH:6]2=[CH:13]3[CH:12]4=[CH:7]15)[90Zr+4:2]34625789([CH3-:1])([CH3-:3])[CH:10]%10=[CH:9]7[C-:4]9([CH3:14])[CH:8]8=[CH:11]%106.[CH3:41][C-:30](=[O:31])[90Zr+2:18]12345678([O:16]#[C:17][98Mo+2:19]9%10%11%12([C:33]#[O:43])([C:32]#[O:42])[CH:36]%13=[CH:37]%10[C-:34]%12([CH3:44])[CH:38]%11=[CH:35]%139)([CH:24]%14=[CH:26]3[C-:21]7([CH3:40])[CH:27]4=[CH:23]%141)[CH:25]%15=[CH:28]5[C-:20]8([CH3:39])[CH:29]6=[CH:22]%152>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:3][C:30](=[O:31]([90Zr+2:2]12345678([CH3-:1])([CH:11]9=[CH:8]3[C-:4]7([CH3:14])[CH:9]4=[CH:10]91)[CH:13]%10=[CH:6]5[C-:5]8([CH3:15])[CH:7]6=[CH:12]%102)[90Zr+2:18]%11%12%13%14%15%16%17%18([O:16]#[C:17][98Mo+2:19]%19%20%21%22([C:33]#[O:43])([C:32]#[O:42])[CH:36]%23=[CH:37]%20[C-:34]%22([CH3:44])[CH:38]%21=[CH:35]%23%19)([CH:23]%24=[CH:28]%13[C-:21]%17([CH3:40])[CH:29]%14=[CH:25]%24%11)[CH:24]%25=[CH:27]%15[C-:20]%18([CH3:39])[CH:26]%16=[CH:22]%25%12)[CH3:41]">CAN<104:109859>NUM<0020>SEQ<0001>COMPRN<68193384,99494583,108883,99494572>ROLESTAGE<0;68193384;1;reactant>STAGE<0;99494583;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99494572;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1157>ISM<"[C-:1]#[O+].[CH3:28][C-:21]1([CH:19]2=[CH:23]3[CH:22]4=[CH:20]15)[98Mo+2:5]3425([C:18]#[O:27])([C:17]#[O:26])[C:3]#[O:2][90Zr+2:4]6789%10%11%12%13([CH3-:6])([CH:15]%14=[CH:8]8[C-:12]%12([CH3:25])[CH:7]9=[CH:16]%146)[CH:14]%15=[CH:9]%10[C-:11]%13([CH3:24])[CH:10]%11=[CH:13]%157>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:1][C-:6](=[O])[90Zr+2:4]12345678([O:2]#[C:3][98Mo+2:5]9%10%11%12([C:18]#[O:27])([C:17]#[O:26])[CH:23]%13=[CH:19]%10[C-:21]%12([CH3:28])[CH:20]%11=[CH:22]%139)([CH:15]%14=[CH:7]3[C-:12]7([CH3:25])[CH:8]4=[CH:14]%141)[CH:16]%15=[CH:9]5[C-:11]8([CH3:24])[CH:10]6=[CH:13]%152">CAN<104:109859>NUM<0021>SEQ<0001>COMPRN<630080,99494594,108883,99494583>ROLESTAGE<0;630080;1;reactant>STAGE<0;99494594;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99494583;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1158>ISM<"[CH3:14][C-:4]1([CH:5]2=[CH:12]3[CH:11]4=[CH:6]15)[90Zr+4:2]34625789([CH3-:1])([CH3-])[CH:9]%10=[CH:8]7[C-:3]9([CH3:13])[CH:7]8=[CH:10]%106.[H-][98Mo+2:17]1234([C:15]#[O:16])([C:19]#[O:26])([C:18]#[O:25])[CH:23]5=[CH:22]2[C-:20]4([CH3:27])[CH:21]3=[CH:24]51>[CH2]1[CH2][CH2][O][CH2]1>[CH3:27][C-:20]1([CH:21]2=[CH:24]3[CH:23]4=[CH:22]15)[98Mo+2:17]3425([C:19]#[O:26])([C:18]#[O:25])[C:15]#[O:16][90Zr+2:2]6789%10%11%12%13([CH3-:1])([CH:11]%14=[CH:6]8[C-:4]%12([CH3:14])[CH:5]9=[CH:12]%146)[CH:10]%15=[CH:7]%10[C-:3]%13([CH3:13])[CH:8]%11=[CH:9]%157">CAN<104:109859>NUM<0023>SEQ<0001>COMPRN<68193384,78353192,109999,99494594>ROLESTAGE<0;68193384;1;reactant>STAGE<0;78353192;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;99494594;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1159>ISM<"[CH3][C](=[O]([90Zr+2]12345678([CH3-])([CH-]9[CH]3=[CH]5[CH]6=[CH]91)[CH-]%10[CH]4=[CH]7[CH]8=[CH]%102)[90Zr+2]%11%12%13%14%15%16%17%18([O]#[C][98Mo+2]%19%20%21%22([C]#[O])([C]#[O])[CH-]%23[CH]%20=[CH]%21[CH]%22=[CH]%23%19)([CH-]%24[CH]%13=[CH]%15[CH]%16=[CH]%24%11)[CH-]%25[CH]%14=[CH]%17[CH]%18=[CH]%25%12)[CH3]>[ClH].[CH3][CH2][O][CH2][CH3]>[CH3][CH]([CH3])[OH]">CAN<104:109859>NUM<0504>SEQ<0001>COMPRN<99494492,7647010,60297,67630>ROLESTAGE<0;99494492;1;reactant>STAGE<0;7647010;1;reagent>STAGE<0;60297;1;solvent>STAGE<0;67630;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1160>ISM<"[O:2]#[C:1][Mn+:3]1234([C]#[O])([C:4]#[O:10])[CH-:5]5[CH:8]2=[CH:7]3[CH:6]4=[CH:9]51.[O:12]#[C:11][Mn+:13]1234([C]#[O])([C:14]#[O:20])[CH-:15]5[CH:18]2=[CH:17]3[CH:16]4=[CH:19]51>[Cl][208Pb][Cl].[CH2]1[CH2][CH2][O][CH2]1>[O:20]#[C:14][Mn+:13]1234(=[208Pb]=[Mn+:3]5678([C:4]#[O:10])([C:1]#[O:2])[CH-:5]9[CH:8]6=[CH:7]7[CH:6]8=[CH:9]95)([C:11]#[O:12])[CH-:15]%10[CH:18]2=[CH:17]3[CH:16]4=[CH:19]%101">CAN<104:109858>NUM<0002>SEQ<0001>COMPRN<12079651,12079651,7758954,109999,99248905>ROLESTAGE<0;12079651;2;reactant>STAGE<0;7758954;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;99248905;1;product>NOTES<"photochem. reaction">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1161>ISM<"[O:2]#[C:1][Mn+:3]1234([C:4]#[O:10])([CH-:5]5[CH:9]2=[CH:6]3[CH:7]4=[CH:8]51)[O]6[CH2][CH2][CH2][CH2]6.[O:12]#[C:11][Mn+:13]1234([C:14]#[O:20])([CH-:15]5[CH:19]2=[CH:16]3[CH:17]4=[CH:18]51)[O]6[CH2][CH2][CH2][CH2]6>[Cl][208Pb][Cl].[CH2]1[CH2][CH2][O][CH2]1>[O:20]#[C:14][Mn+:13]1234(=[208Pb]=[Mn+:3]5678([C:4]#[O:10])([C:1]#[O:2])[CH-:5]9[CH:8]6=[CH:7]7[CH:6]8=[CH:9]95)([C:11]#[O:12])[CH-:15]%10[CH:18]2=[CH:17]3[CH:16]4=[CH:19]%101">CAN<104:109858>NUM<0003>SEQ<0001>COMPRN<12093264,12093264,7758954,109999,99248905>ROLESTAGE<0;12093264;2;reactant>STAGE<0;7758954;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;99248905;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1162>ISM<"[Cl:2][Ge:1][Cl:3].[Cl:5][Ge:4][Cl:6].[O:8]#[C:7][Mn+:9]1234([C]#[O])([C:10]#[O:16])[CH-:11]5[CH:14]2=[CH:13]3[CH:12]4=[CH:15]51.[O:18]#[C:17][Mn+:19]1234([C:20]#[O:26])([C]#[O])[CH-:21]5[CH:24]2=[CH:23]3[CH:22]4=[CH:25]51.[O:28]#[C:27][Mn+:29]1234([C]#[O])([C:30]#[O:36])[CH-:31]5[CH:34]2=[CH:33]3[CH:32]4=[CH:35]51>>[Cl:2][Ge:1](=[Mn+:9]1234([C:7]#[O:8])([C:10]#[O:16])[CH-:11]5[CH:14]2=[CH:13]3[CH:12]4=[CH:15]51)[Cl:3].[Cl:5][Ge:4]([Cl:6])([Mn+:19]1234([C:20]#[O:26])([C:17]#[O:18])[CH-:21]5[CH:24]2=[CH:23]3[CH:22]4=[CH:25]51)[Mn+:29]6789([C:30]#[O:36])([C:27]#[O:28])[CH-:31]%10[CH:34]7=[CH:33]8[CH:32]9=[CH:35]%106">CAN<104:109858>NUM<0006>SEQ<0001>COMPRN<10060114,10060114,12079651,12079651,12079651,99248916,99248927>ROLESTAGE<0;10060114;2;reactant>STAGE<0;12079651;3;reactant>STAGE<0;99248916;1;product>STAGE<0;99248927;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1163>ISM<"[CH3:1][CH:2]1[C:3](=[C:6]([CH3:9])[C:8](=[C:4]1[CH3:7])[CH3:10])[CH3:5].[CH3:11][CH:12]1[C:13](=[C:16]([CH3:19])[C:18](=[C:14]1[CH3:17])[CH3:20])[CH3:15]>[184W]>[H-][184W+4]12345678([H-])([C-:12]9([CH3:11])[C:13]3(=[C:16]5([CH3:19])[C:18]6(=[C:14]91[CH3:17])[CH3:20])[CH3:15])[C-:2]%10([CH3:1])[C:3]4(=[C:6]7([CH3:9])[C:8]8(=[C:4]%102[CH3:7])[CH3:10])[CH3:5]">CAN<104:109857>NUM<0001>SEQ<0001>COMPRN<4045447,4045447,7440337,100581575>ROLESTAGE<0;4045447;2;reactant>STAGE<0;7440337;1;reagent>STAGE<0;100581575;1;product>NOTES<"cocondensation">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1166>ISM<"[Br-][27Al+3]([Br-])([Br-])[Br-].[O:12]#[C:6][52Cr+4:1]([C-3:2][N:8]=[C:14]([c:16]1[cH:20][cH:24][cH:26][cH:23][cH:19]1)[c:15]2[cH:17][cH:21][cH:25][cH:22][cH:18]2)([C:3]#[O:9])([C:4]#[O:10])([C:5]#[O:11])[C:7]#[O:13].[Br-][27Al+3]([Br-])([Br-])[Br-].[O:38]#[C:32][52Cr+4:27]([C-3:28][N:34]=[C]([c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2)([C:29]#[O:35])([C:30]#[O:36])([C:31]#[O:37])[C:33]#[O:39]>[CH2]1[CH2][CH2][O][CH2]1.[Cl][CH2][Cl]>[O:13]#[C:7][52Cr:1]([C:4]#[O:10])([C:5]#[O:11])([C:3]#[O:9])([C:6]#[O:12])[C-:2]#[N+:8][C:14]([N+:34]#[C-:28][52Cr:27]([C:33]#[O:39])([C:29]#[O:35])([C:30]#[O:36])([C:31]#[O:37])[C:32]#[O:38])([c:16]1[cH:20][cH:24][cH:26][cH:23][cH:19]1)[c:15]2[cH:18][cH:22][cH:25][cH:21][cH:17]2">CAN<104:109855>NUM<0001>SEQ<0001>COMPRN<22602422,94598024,22602422,94598024,109999,75092,100852219>ROLESTAGE<0;100852208;2;reactant>STAGE<0;109999;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;100852219;1;product>MCOMPRN<100852208;22602422;1>MCOMPRN<100852208;94598024;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1167>ISM<"[CH3][CH2][O][C-2:2]([N:8]=[C:14]([c:15]1[cH:17][cH:21][cH:25][cH:22][cH:18]1)[c:16]2[cH:20][cH:24][cH:26][cH:23][cH:19]2)[52Cr+2:1]([C:6]#[O:12])([C:7]#[O:13])([C:5]#[O:11])([C:4]#[O:10])[C:3]#[O:9]>[Br-][27Al+3]1([Br-])[Br-][27Al+3]([Br-])([Br-])[Br-]1.[Cl][CH2][Cl]>[Br-][27Al+3]([Br-])([Br-])[Br-].[O:12]#[C:6][52Cr+4:1]([C-3:2][N:8]=[C:14]([c:16]1[cH:20][cH:24][cH:26][cH:23][cH:19]1)[c:15]2[cH:17][cH:21][cH:25][cH:22][cH:18]2)([C:3]#[O:9])([C:4]#[O:10])([C:5]#[O:11])[C:7]#[O:13]">CAN<104:109855>NUM<0003>SEQ<0001>COMPRN<54330368,18898345,75092,22602422,94598024>ROLESTAGE<0;54330368;1;reactant>STAGE<0;18898345;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;100852208;1;product>MCOMPRN<100852208;22602422;1>MCOMPRN<100852208;94598024;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1168>ISM<"[CH3][CH2][CH2][CH2][N+]([CH2][CH2][CH2][CH3])([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3].[CH3:16][O:9][P:2]([O:8][CH3:15])([O:7][CH3:14])[184W:1]([Br-])([C:6]#[O:13])([C:5]#[O:12])([C:4]#[O:11])[C:3]#[O:10]>[CH3][CH2][O][P]([O][CH2][CH3])[O][CH2][CH3].[LiH+].[F-][BH2+3]([F-])([F-])[F-].[CH3][CH2][OH]>[CH3][CH2][O][P]([O][CH2][CH3])([O][CH2][CH3])[184W:1]([C:3]#[O:10])([C:6]#[O:13])([C:5]#[O:12])([C:4]#[O:11])[P:2]([O:9][CH3:16])([O:8][CH3:15])[O:7][CH3:14]">CAN<104:109853>NUM<0002>SEQ<0001>COMPRN<10549765,100504276,122521,13755298,13755298,64175,100425147>ROLESTAGE<0;100504287;1;reactant>STAGE<0;122521;1;reagent>STAGE<0;13755298;1;reagent>STAGE<0;64175;1;solvent>STAGE<0;100425147;1;product>MCOMPRN<100504287;10549765;1>MCOMPRN<100504287;100504276;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1169>ISM<"[CH3][CH2][CH2][CH2][N+]([CH2][CH2][CH2][CH3])([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3].[CH3:16][O:9][P:2]([O:8][CH3:15])([O:7][CH3:14])[184W:1]([Br-])([C:6]#[O:13])([C:5]#[O:12])([C:4]#[O:11])[C:3]#[O:10]>[CH3][O][P]([O][CH3])[O][CH3].[LiH+].[F-][BH2+3]([F-])([F-])[F-].[CH3][CH2][OH]>[CH3:16][O:9][P:2]([O:8][CH3:15])([O:7][CH3:14])[184W:1]([C:6]#[O:13])([C:4]#[O:11])([C:5]#[O:12])([C:3]#[O:10])[P]([O][CH3])([O][CH3])[O][CH3]">CAN<104:109853>NUM<0003>SEQ<0001>COMPRN<10549765,100504276,121459,13755298,13755298,64175,16104066>ROLESTAGE<0;100504287;1;reactant>STAGE<0;121459;1;reagent>STAGE<0;13755298;1;reagent>STAGE<0;64175;1;solvent>STAGE<0;16104066;1;product>MCOMPRN<100504287;10549765;1>MCOMPRN<100504287;100504276;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1170>ISM<"[CH2:1]=[CH2:2].[CH3:26][CH2:20][O:11][P:4]([O:10][CH2:19][CH3:25])([O:9][CH2:18][CH3:24])[184W:3]([C:6]#[O:15])([C:8]#[O:17])([C:7]#[O:16])([C]#[O])[P:5]([O:14][CH3:23])([O:13][CH3:22])[O:12][CH3:21]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:26][CH2:20][O:11][P:4]([O:10][CH2:19][CH3:25])([O:9][CH2:18][CH3:24])[184W:3]1([CH2:1]=[CH2:2]1)([C:8]#[O:17])([C:7]#[O:16])([C:6]#[O:15])[P:5]([O:14][CH3:23])([O:13][CH3:22])[O:12][CH3:21]">CAN<104:109853>NUM<0004>SEQ<0001>COMPRN<74851,100425147,109999,100425158>ROLESTAGE<0;74851;1;reactant>STAGE<0;100425147;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;100425158;1;product>NOTES<"photochem.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1171>ISM<"[CH3:6][O:3][C:1](=[O:4])[CH:2]=[CH:5][C:7](=[O:9])[O:8][CH3:10].[CH3:34][CH2:28][O:19][P:12]([O:18][CH2:27][CH3:33])([O:17][CH2:26][CH3:32])[184W:11]([C:14]#[O:23])([C:16]#[O:25])([C:15]#[O:24])([C]#[O])[P:13]([O:22][CH3:31])([O:21][CH3:30])[O:20][CH3:29]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:34][CH2:28][O:19][P:12]([O:18][CH2:27][CH3:33])([O:17][CH2:26][CH3:32])[184W:11]1([C:15]#[O:24])([C:16]#[O:25])([C:14]#[O:23])([CH:2](=[CH:5]1[C:7](=[O:9])[O:8][CH3:10])[C:1](=[O:4])[O:3][CH3:6])[P:13]([O:21][CH3:30])([O:20][CH3:29])[O:22][CH3:31]">CAN<104:109853>NUM<0005>SEQ<0001>COMPRN<624486,100425147,109999,100425409>ROLESTAGE<0;624486;1;reactant>STAGE<0;100425147;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;100425409;1;product>NOTES<"photochem.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1172>ISM<"[CH3:6][O:3][C:1](=[O:4])[CH:2]=[CH:5][C:7](=[O:9])[O:8][CH3:10].[CH3:34][CH2:28][O:19][P:12]([O:18][CH2:27][CH3:33])([O:17][CH2:26][CH3:32])[184W:11]([C:14]#[O:23])([C:16]#[O:25])([C:15]#[O:24])([C]#[O])[P:13]([O:22][CH3:31])([O:21][CH3:30])[O:20][CH3:29]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:34][CH2:28][O:19][P:12]([O:18][CH2:27][CH3:33])([O:17][CH2:26][CH3:32])[184W:11]1([C:15]#[O:24])([C:16]#[O:25])([C:14]#[O:23])([CH:2](=[CH:5]1[C:7](=[O:9])[O:8][CH3:10])[C:1](=[O:4])[O:3][CH3:6])[P:13]([O:21][CH3:30])([O:20][CH3:29])[O:22][CH3:31]">CAN<104:109853>NUM<0006>SEQ<0001>COMPRN<624497,100425147,109999,100484364>ROLESTAGE<0;624497;1;reactant>STAGE<0;100425147;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;100484364;1;product>NOTES<"photochem.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1173>ISM<"[CH3:8][CH2:6][O:3][C:1](=[O:4])[CH:2]=[CH:5][C:7](=[O:10])[O:9][CH2:11][CH3:12].[CH3:36][CH2:30][O:21][P:14]([O:20][CH2:29][CH3:35])([O:19][CH2:28][CH3:34])[184W:13]([C:16]#[O:25])([C:18]#[O:27])([C:17]#[O:26])([C]#[O])[P:15]([O:24][CH3:33])([O:23][CH3:32])[O:22][CH3:31]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:12][CH2:11][O:9][C:7](=[O:10])[CH:5]1=[CH:2]([C:1](=[O:4])[O:3][CH2:6][CH3:8])[184W:13]1([C:17]#[O:26])([C:18]#[O:27])([C:16]#[O:25])([P:15]([O:23][CH3:32])([O:22][CH3:31])[O:24][CH3:33])[P:14]([O:21][CH2:30][CH3:36])([O:20][CH2:29][CH3:35])[O:19][CH2:28][CH3:34]">CAN<104:109853>NUM<0007>SEQ<0001>COMPRN<623916,100425147,109999,100425410>ROLESTAGE<0;623916;1;reactant>STAGE<0;100425147;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;100425410;1;product>NOTES<"photochem.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1174>ISM<"[CH3:6][O:3][C:1](=[O:4])[CH:2]=[CH2:5].[CH3:27][O:18][P:9]([O:17][CH3:26])([O:16][CH3:25])[184W:7]([C:12]#[O:21])([C]#[O])([C:11]#[O:20])([C:10]#[O:19])[P:8]([O:15][CH3:24])([O:14][CH3:23])[O:13][CH3:22]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:6][O:3][C:1](=[O:4])[CH:2]1=[CH2:5][184W:7]1([C:10]#[O:19])([C:12]#[O:21])([C:11]#[O:20])([P:9]([O:18][CH3:27])([O:17][CH3:26])[O:16][CH3:25])[P:8]([O:13][CH3:22])([O:14][CH3:23])[O:15][CH3:24]">CAN<104:109853>NUM<0008>SEQ<0001>COMPRN<96333,16104066,109999,100442066>ROLESTAGE<0;96333;1;reactant>STAGE<0;16104066;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;100442066;1;product>NOTES<"photochem.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1175>ISM<"[CH3:9][O:5][C:2](=[O:6])[C:1](=[CH2:4])[C:3](=[O:8])[O:7][CH3:10].[CH3:31][O:22][P:13]([O:21][CH3:30])([O:20][CH3:29])[184W:11]([C:16]#[O:25])([C]#[O])([C:15]#[O:24])([C:14]#[O:23])[P:12]([O:19][CH3:28])([O:18][CH3:27])[O:17][CH3:26]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:10][O:7][C:3](=[O:8])[C:1]1(=[CH2:4][184W:11]1([C:14]#[O:23])([C:15]#[O:24])([C:16]#[O:25])([P:13]([O:20][CH3:29])([O:21][CH3:30])[O:22][CH3:31])[P:12]([O:17][CH3:26])([O:18][CH3:27])[O:19][CH3:28])[C:2](=[O:6])[O:5][CH3:9]">CAN<104:109853>NUM<0009>SEQ<0001>COMPRN<3377217,16104066,109999,100504265>ROLESTAGE<0;3377217;1;reactant>STAGE<0;16104066;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;100504265;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1176>ISM<"[O:6]#[C:2][184W:1]([C]#[O])([C:3]#[O:7])([C]#[O])([C:4]#[O:8])[C:5]#[O:9].[Br-:27].[CH3:26][CH2:22][CH2:18][CH2:14][N+:10]([CH2:13][CH2:17][CH2:21][CH3:25])([CH2:12][CH2:16][CH2:20][CH3:24])[CH2:11][CH2:15][CH2:19][CH3:23]>[CH3][O][P]([O][CH3])[O][CH3].[CH2]1[CH2][O][CH2][CH2][O]1>[CH3:26][CH2:22][CH2:18][CH2:14][N+:10]([CH2:13][CH2:17][CH2:21][CH3:25])([CH2:12][CH2:16][CH2:20][CH3:24])[CH2:11][CH2:15][CH2:19][CH3:23].[CH3][O][P]([O][CH3])([O][CH3])[184W:1]([Br-:27])([C:5]#[O:9])([C:4]#[O:8])([C:3]#[O:7])[C:2]#[O:6]">CAN<104:109853>NUM<0016>SEQ<0001>COMPRN<14040110,1643192,1643192,121459,123911,10549765,100504276>ROLESTAGE<1;1643192;1;reactant>STAGE<1;14040110;1;reactant>STAGE<2;121459;1;reagent>STAGE<1;123911;1;solvent>STAGE<2;100504287;1;product>MCOMPRN<100504287;10549765;1>MCOMPRN<100504287;100504276;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1177>ISM<"[O:8]#[C:3][184W:1]([80Se]=[CH][c]1[cH][cH][cH][cH][cH]1)([C:4]#[O:9])([C:6]#[O:11])([C:5]#[O:10])[C:2]#[O:7].[O]#[C][184W]([80Se]=[CH][c]1[cH][cH][cH][cH][cH]1)([C]#[O])([C]#[O])([C]#[O])[C]#[O].[O:21]#[C:15][184W:14]1([80Se:20][CH:19]1[c:25]2[cH:26][cH:28][cH:30][cH:29][cH:27]2)([C:12]#[O:13])([C:16]#[O:22])([C:17]#[O:23])[C:18]#[O:24]>[CH3][CH2][CH2][CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1>[O:7]#[C:2][184W:1]([C:6]#[O:11])([C:3]#[O:8])([C:4]#[O:9])([C:5]#[O:10])[80Se:20]1[CH:19]([c:25]2[cH:26][cH:28][cH:30][cH:29][cH:27]2)[184W:14]1([C:12]#[O:13])([C:15]#[O:21])([C:16]#[O:22])([C:17]#[O:23])[C:18]#[O:24]">CAN<104:109851>NUM<0001>SEQ<0001>COMPRN<92077300,92011808,92011875,109660,109999,100647618>ROLESTAGE<0;92011808;1;reactant>STAGE<0;92011875;1;reactant>STAGE<0;92077300;1;reactant>STAGE<0;109660;1;solvent>STAGE<0;109999;1;solvent>STAGE<0;100647618;1;product>NOTES<"spontaneous elimination reaction">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1178>ISM<"[F][C]([F])([F])[c]1[cH][cH][c]([CH]=[80Se][184W:1]([C:5]#[O:10])([C:2]#[O:7])([C:3]#[O:8])([C:4]#[O:9])[C:6]#[O:11])[cH][cH]1.[F][C]([F])([F])[c]1[cH][cH][c]([CH]=[80Se][184W]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O])[cH][cH]1.[F:34][C:31]([F:33])([F:32])[c:30]1[cH:28][cH:26][c:25]([cH:27][cH:29]1)[CH:19]2[80Se:20][184W:14]2([C:12]#[O:13])([C:17]#[O:23])([C:15]#[O:21])([C:16]#[O:22])[C:18]#[O:24]>[Cl][CH2][Cl]>[F:34][C:31]([F:33])([F:32])[c:30]1[cH:28][cH:26][c:25]([cH:27][cH:29]1)[CH:19]2[80Se:20]([184W:1]([C:6]#[O:11])([C:5]#[O:10])([C:4]#[O:9])([C:3]#[O:8])[C:2]#[O:7])[184W:14]2([C:12]#[O:13])([C:15]#[O:21])([C:16]#[O:22])([C:17]#[O:23])[C:18]#[O:24]">CAN<104:109851>NUM<0002>SEQ<0001>COMPRN<92077322,92011820,92011897,75092,100647629>ROLESTAGE<0;92011820;1;reactant>STAGE<0;92011897;1;reactant>STAGE<0;92077322;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;100647629;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1179>ISM<"[CH3][c]1[cH][cH][c]([CH]=[80Se][184W:1]([C:4]#[O:9])([C:5]#[O:10])([C:2]#[O:7])([C:3]#[O:8])[C:6]#[O:11])[cH][cH]1.[CH3][c]1[cH][cH][c]([CH]=[80Se][184W]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C]#[O])[cH][cH]1.[CH3:31][c:30]1[cH:28][cH:26][c:25]([cH:27][cH:29]1)[CH:19]2[80Se:20][184W:14]2([C:12]#[O:13])([C:16]#[O:22])([C:17]#[O:23])([C:18]#[O:24])[C:15]#[O:21]>[80Se].[Cl][CH2][Cl]>[CH3:31][c:30]1[cH:29][cH:27][c:25]([cH:26][cH:28]1)[CH:19]2[80Se:20]([184W:1]([C:6]#[O:11])([C:5]#[O:10])([C:4]#[O:9])([C:3]#[O:8])[C:2]#[O:7])[184W:14]2([C:12]#[O:13])([C:18]#[O:24])([C:17]#[O:23])([C:15]#[O:21])[C:16]#[O:22]">CAN<104:109851>NUM<0003>SEQ<0001>COMPRN<101637790,101693883,101637803,7782492,75092,100647630>ROLESTAGE<0;101637790;1;reactant>STAGE<0;101637803;1;reactant>STAGE<0;101693883;1;reactant>STAGE<0;7782492;1;reagent>STAGE<0;75092;1;solvent>STAGE<0;100647630;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1180>ISM<"[Cl][CH2:4][CH2:2][CH2:1][CH2:3][CH2:5][Cl:6].[Li].[PH:7]([c:9]1[cH:13][cH:17][cH:19][cH:16][cH:12]1)[c:8]2[cH:11][cH:15][cH:18][cH:14][cH:10]2>[CH2]1[CH2][CH2][O][CH2]1.[CH3][c]1[cH][cH][cH][cH][cH]1>[Cl:6][CH2:5][CH2:3][CH2:1][CH2:2][CH2:4][P:7]([c:9]1[cH:13][cH:17][cH:19][cH:16][cH:12]1)[c:8]2[cH:11][cH:15][cH:18][cH:14][cH:10]2">CAN<104:109850>NUM<0004>SEQ<0001>COMPRN<628762,4376016,4376016,109999,108883,100649318>ROLESTAGE<0;628762;1;reactant>STAGE<0;4376016;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;109999;1;solvent>STAGE<0;100649318;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1182>ISM<"[Br-:6][Mn+:1]([C:2]#[O:7])([C]#[O])([C:3]#[O:8])([C:4]#[O:9])[C:5]#[O:10].[Cl:29][CH2:28][CH2:25][CH2:20][CH2:15][CH2:12][P:11]([c:14]1[cH:19][cH:24][cH:27][cH:23][cH:18]1)[c:13]2[cH:17][cH:22][cH:26][cH:21][cH:16]2>[CH2]1[CH2][CH2][CH2][CH2][CH2]1>[Cl:29][CH2:28][CH2:25][CH2:20][CH2:15][CH2:12][P:11]([c:13]1[cH:16][cH:21][cH:26][cH:22][cH:17]1)([c:14]2[cH:19][cH:24][cH:27][cH:23][cH:18]2)[Mn+:1]([Br-:6])([C:3]#[O:8])([C:2]#[O:7])([C:4]#[O:9])[C:5]#[O:10]">CAN<104:109850>NUM<0010>SEQ<0001>COMPRN<14516542,100649318,110827,100811118>ROLESTAGE<0;14516542;1;reactant>STAGE<0;100649318;1;reactant>STAGE<0;110827;1;solvent>STAGE<0;100811118;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1183>ISM<"[Br-:6][Mn+:1]([C:2]#[O:7])([C]#[O])([C:3]#[O:8])([C:4]#[O:9])[C:5]#[O:10].[Cl:30][CH2:29][CH2:28][CH2:25][CH2:20][CH2:15][CH2:12][P:11]([c:14]1[cH:19][cH:24][cH:27][cH:23][cH:18]1)[c:13]2[cH:16][cH:21][cH:26][cH:22][cH:17]2>[CH2]1[CH2][CH2][CH2][CH2][CH2]1>[Cl:30][CH2:29][CH2:28][CH2:25][CH2:20][CH2:15][CH2:12][P:11]([c:14]1[cH:18][cH:23][cH:27][cH:24][cH:19]1)([c:13]2[cH:16][cH:21][cH:26][cH:22][cH:17]2)[Mn+:1]([Br-:6])([C:4]#[O:9])([C:5]#[O:10])([C:3]#[O:8])[C:2]#[O:7]">CAN<104:109850>NUM<0010>SEQ<0002>COMPRN<14516542,100649329,110827,100811129>ROLESTAGE<0;14516542;1;reactant>STAGE<0;100649329;1;reactant>STAGE<0;110827;1;solvent>STAGE<0;100811129;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1184>ISM<"[Br-:6][187Re+:1]([C:2]#[O:7])([C]#[O])([C:3]#[O:8])([C:4]#[O:9])[C:5]#[O:10].[Cl:29][CH2:28][CH2:25][CH2:20][CH2:15][CH2:12][P:11]([c:14]1[cH:19][cH:24][cH:27][cH:23][cH:18]1)[c:13]2[cH:17][cH:22][cH:26][cH:21][cH:16]2>[CH2]1[CH2][CH2][CH2][CH2][CH2]1>[Cl:29][CH2:28][CH2:25][CH2:20][CH2:15][CH2:12][P:11]([c:13]1[cH:16][cH:21][cH:26][cH:22][cH:17]1)([c:14]2[cH:19][cH:24][cH:27][cH:23][cH:18]2)[187Re+:1]([Br-:6])([C:3]#[O:8])([C:2]#[O:7])([C:4]#[O:9])[C:5]#[O:10]">CAN<104:109850>NUM<0011>SEQ<0001>COMPRN<14220214,100649318,110827,100811130>ROLESTAGE<0;14220214;1;reactant>STAGE<0;100649318;1;reactant>STAGE<0;110827;1;solvent>STAGE<0;100811130;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1185>ISM<"[Br-:6][187Re+:1]([C:2]#[O:7])([C]#[O])([C:3]#[O:8])([C:4]#[O:9])[C:5]#[O:10].[Cl:30][CH2:29][CH2:28][CH2:25][CH2:20][CH2:15][CH2:12][P:11]([c:14]1[cH:19][cH:24][cH:27][cH:23][cH:18]1)[c:13]2[cH:16][cH:21][cH:26][cH:22][cH:17]2>[CH2]1[CH2][CH2][CH2][CH2][CH2]1>[Cl:30][CH2:29][CH2:28][CH2:25][CH2:20][CH2:15][CH2:12][P:11]([c:14]1[cH:18][cH:23][cH:27][cH:24][cH:19]1)([c:13]2[cH:16][cH:21][cH:26][cH:22][cH:17]2)[187Re+:1]([Br-:6])([C:4]#[O:9])([C:5]#[O:10])([C:3]#[O:8])[C:2]#[O:7]">CAN<104:109850>NUM<0011>SEQ<0002>COMPRN<14220214,100649329,110827,100811141>ROLESTAGE<0;14220214;1;reactant>STAGE<0;100649329;1;reactant>STAGE<0;110827;1;solvent>STAGE<0;100811141;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1186>ISM<"[Cl][CH2:27][CH2:24][CH2:19][CH2:10][CH2:3][P:1]([c:4]1[cH:11][cH:20][cH:25][cH:21][cH:12]1)([c:5]2[cH:14][cH:23][cH:26][cH:22][cH:13]2)[Mn+:2]([Br-])([C:7]#[O:16])([C:6]#[O:15])([C:8]#[O:17])[C:9]#[O:18]>[Li].[202Hg].[CH2]1[CH2][CH2][O][CH2]1>[O:15]#[C:6][Mn+:2]1([CH2-:27][CH2:24][CH2:19][CH2:10][CH2:3][P:1]1([c:5]2[cH:13][cH:22][cH:26][cH:23][cH:14]2)[c:4]3[cH:11][cH:20][cH:25][cH:21][cH:12]3)([C:7]#[O:16])([C:8]#[O:17])[C:9]#[O:18]">CAN<104:109850>NUM<0012>SEQ<0001>COMPRN<100811118,7440235,7439976,109999,100811152>ROLESTAGE<0;100811118;1;reactant>STAGE<0;11146944;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100811152;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1187>ISM<"[Cl][CH2:28][CH2:27][CH2:24][CH2:19][CH2:14][CH2:7][P:2]([c:9]1[cH:17][cH:22][cH:26][cH:23][cH:18]1)([c:8]2[cH:15][cH:20][cH:25][cH:21][cH:16]2)[Mn+:1]([Br-])([C:5]#[O:12])([C:6]#[O:13])([C:4]#[O:11])[C:3]#[O:10]>[Li].[202Hg].[CH2]1[CH2][CH2][O][CH2]1>[O:10]#[C:3][Mn+:1]1([CH2-:28][CH2:27][CH2:24][CH2:19][CH2:14][CH2:7][P:2]1([C:9]2=[C:18]=[CH:23][CH:26]=[CH:22][CH2:17]2)[c:8]3[cH:15][cH:20][cH:25][cH:21][cH:16]3)([C:4]#[O:11])([C:5]#[O:12])[C:6]#[O:13]">CAN<104:109850>NUM<0013>SEQ<0001>COMPRN<100811129,7440235,7439976,109999,100811163>ROLESTAGE<0;100811129;1;reactant>STAGE<0;11146944;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100811163;1;product>NOTES<"Very low yield.">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1188>ISM<"[Cl][CH2:27][CH2:24][CH2:19][CH2:10][CH2:3][P:1]([c:4]1[cH:11][cH:20][cH:25][cH:21][cH:12]1)([c:5]2[cH:14][cH:23][cH:26][cH:22][cH:13]2)[187Re+:2]([Br-])([C:7]#[O:16])([C:6]#[O:15])([C:8]#[O:17])[C:9]#[O:18]>[Li].[202Hg].[CH2]1[CH2][CH2][O][CH2]1>[O:15]#[C:6][187Re+:2]1([CH2-:27][CH2:24][CH2:19][CH2:10][CH2:3][P:1]1([c:5]2[cH:13][cH:22][cH:26][cH:23][cH:14]2)[c:4]3[cH:11][cH:20][cH:25][cH:21][cH:12]3)([C:7]#[O:16])([C:8]#[O:17])[C:9]#[O:18]">CAN<104:109850>NUM<0014>SEQ<0001>COMPRN<100811130,7440235,7439976,109999,100811174>ROLESTAGE<0;100811130;1;reactant>STAGE<0;11146944;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100811174;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1189>ISM<"[O:2]#[C:1][Mn+:3]1([CH2-:8][CH2:15][CH2:21][CH2:16][CH2:12][P:7]1([c:14]2[cH:19][cH:24][cH:27][cH:25][cH:20]2)[c:13]3[cH:17][cH:22][cH:26][cH:23][cH:18]3)([C:4]#[O:9])([C:5]#[O:10])[C:6]#[O:11]>[C-]#[O+].[CH3][CH2][CH2][CH2][CH2][CH3]>[O]=[C-]1[CH2:8][CH2:15][CH2:21][CH2:16][CH2:12][P:7]([c:14]2[cH:19][cH:24][cH:27][cH:25][cH:20]2)([c:13]3[cH:17][cH:22][cH:26][cH:23][cH:18]3)[Mn+:3]1([C:1]#[O:2])([C:4]#[O:9])([C:5]#[O:10])[C:6]#[O:11]">CAN<104:109850>NUM<0015>SEQ<0001>COMPRN<100811152,630080,110543,100811185>ROLESTAGE<0;100811152;1;reactant>STAGE<0;630080;1;reagent>STAGE<0;110543;1;solvent>STAGE<0;100811185;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1190>ISM<"[O:2]#[C:1][187Re+:3]1([CH2-:8][CH2:15][CH2:21][CH2:16][CH2:12][P:7]1([c:14]2[cH:19][cH:24][cH:27][cH:25][cH:20]2)[c:13]3[cH:17][cH:22][cH:26][cH:23][cH:18]3)([C:4]#[O:9])([C:5]#[O:10])[C:6]#[O:11]>[O]=[S]=[O].[CH3][CH2][CH2][CH2][CH2][CH3]>[O]=[S-]1(=[O])[CH2:8][CH2:15][CH2:21][CH2:16][CH2:12][P:7]([c:14]2[cH:20][cH:25][cH:27][cH:24][cH:19]2)([c:13]3[cH:17][cH:22][cH:26][cH:23][cH:18]3)[187Re+:3]1([C:1]#[O:2])([C:6]#[O:11])([C:5]#[O:10])[C:4]#[O:9]">CAN<104:109850>NUM<0016>SEQ<0001>COMPRN<100811174,7446095,110543,100830680>ROLESTAGE<0;100811174;1;reactant>STAGE<0;7446095;1;reagent>STAGE<0;110543;1;solvent>STAGE<0;100830680;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1191>ISM<"[Cl-][98Mo+2:3]123([CH2-:8][CH:5]2=[CH2:9]1)([C:1]#[O:2])([C:4]#[O:10])[n:7]4[cH:14][cH:18][cH:20][cH:17][c:13]4[c:11]5[cH:15][cH:19][cH:16][cH:12][n:6]53>[107AgH+].[F-][BH2+3]([F-])([F-])[F-].[CH3][O][P]([O][CH3])[O][CH3].[CH3][C](=[O])[CH3]>[F-][BH2+3]([F-])([F-])[F-].[CH3][O][P]([O][CH3])([O][CH3])[98Mo+2:3]123([CH2-:8][CH:5]2=[CH2:9]1)([C:4]#[O:10])([C:1]#[O:2])[n:7]4[cH:14][cH:18][cH:20][cH:17][c:13]4[c:11]5[cH:15][cH:19][cH:16][cH:12][n:6]53">CAN<104:109849>NUM<0006>SEQ<0001>COMPRN<12245577,14104202,14104202,121459,67641,14874705,74540719>ROLESTAGE<1;12245577;1;reactant>STAGE<2;121459;1;reagent>STAGE<1;14104202;1;reagent>STAGE<1;67641;1;solvent>STAGE<2;74540720;1;product>MCOMPRN<74540720;14874705;1>MCOMPRN<74540720;74540719;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1192>ISM<"[F-][BH2+3]([F-])([F-])[F-].[CH3][O+:1]([CH3])[CH3:2].[7LiH+].[O]=[C-]([C]1=[C:14]([CH:15]2[CH2:17][CH]1[CH]=[CH]2)[c:16]3[cH:18][cH:20][cH:22][cH:21][cH:19]3)[52Cr:3]([C:8]#[O:13])([C:6]#[O:11])([C:7]#[O:12])([C:4]#[O:9])[C:5]#[O:10]>[Cl][CH2][Cl]>[CH3:2][O:1][C-2:17]([C:15]#[C:14][c:16]1[cH:18][cH:20][cH:22][cH:21][cH:19]1)[52Cr+2:3]([C:6]#[O:11])([C:8]#[O:13])([C:4]#[O:9])([C:5]#[O:10])[C:7]#[O:12]">CAN<104:109848>NUM<0001>SEQ<0001>COMPRN<14874705,43625656,99825000,99825000,75092,99824961>ROLESTAGE<0;420371;1;reactant>STAGE<0;99825000;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;99824961;1;product>MCOMPRN<420371;99825000;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1193>ISM<"[F-][BH2+3]([F-])([F-])[F-].[CH3][O+:1]([CH3])[CH3:2].[7LiH+].[O]=[C-]([C]1=[C:14]([CH:15]2[CH2:17][CH]1[CH]=[CH]2)[c:16]3[cH:18][cH:20][cH:22][cH:21][cH:19]3)[184W:3]([C:8]#[O:13])([C:6]#[O:11])([C:7]#[O:12])([C:4]#[O:9])[C:5]#[O:10]>[Cl][CH2][Cl]>[CH3:2][O:1][C-2:17]([C:15]#[C:14][c:16]1[cH:18][cH:20][cH:22][cH:21][cH:19]1)[184W+2:3]([C:6]#[O:11])([C:8]#[O:13])([C:4]#[O:9])([C:5]#[O:10])[C:7]#[O:12]">CAN<104:109848>NUM<0002>SEQ<0001>COMPRN<14874705,43625656,99825011,99825011,75092,99824972>ROLESTAGE<0;420371;1;reactant>STAGE<0;99825011;1;reactant>STAGE<0;75092;1;solvent>STAGE<0;99824972;1;product>MCOMPRN<420371;99825011;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1194>ISM<"[CH2:1]1[CH:2]=[CH:4][CH:5]=[CH:3]1.[CH3:21][O:14][C-2:7]([C:13]#[C:20][c:22]1[cH:23][cH:25][cH:27][cH:26][cH:24]1)[52Cr+2:6]([C:10]#[O:17])([C:12]#[O:19])([C:8]#[O:15])([C:9]#[O:16])[C:11]#[O:18]>>[CH3:21][O:14][C-2:7]([C:13]1=[C:20]([CH:3]2[CH2:1][CH:2]1[CH:4]=[CH:5]2)[c:22]3[cH:23][cH:25][cH:27][cH:26][cH:24]3)[52Cr+2:6]([C:12]#[O:19])([C:11]#[O:18])([C:10]#[O:17])([C:9]#[O:16])[C:8]#[O:15]">CAN<104:109848>NUM<0003>SEQ<0001>COMPRN<542927,99824961,99824983>ROLESTAGE<0;542927;1;reactant>STAGE<0;99824961;1;reactant>STAGE<0;99824983;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1195>ISM<"[CH2:1]1[CH:2]=[CH:4][CH:5]=[CH:3]1.[CH3:21][O:14][C-2:7]([C:13]#[C:20][c:22]1[cH:23][cH:25][cH:27][cH:26][cH:24]1)[184W+2:6]([C:10]#[O:17])([C:12]#[O:19])([C:8]#[O:15])([C:9]#[O:16])[C:11]#[O:18]>>[CH3:21][O:14][C-2:7]([C:13]1=[C:20]([CH:3]2[CH2:1][CH:2]1[CH:4]=[CH:5]2)[c:22]3[cH:23][cH:25][cH:27][cH:26][cH:24]3)[184W+2:6]([C:12]#[O:19])([C:11]#[O:18])([C:10]#[O:17])([C:9]#[O:16])[C:8]#[O:15]">CAN<104:109848>NUM<0004>SEQ<0001>COMPRN<542927,99824972,99824994>ROLESTAGE<0;542927;1;reactant>STAGE<0;99824972;1;reactant>STAGE<0;99824994;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1196>ISM<"[CH:2]#[C:1][c:3]1[cH:4][cH:6][cH:8][cH:7][cH:5]1.[7Li][CH2][CH2][CH2][CH3]>[CH3][CH2][O][CH2][CH3].[CH3][CH2][CH2][CH2][CH2][CH3]>[7Li][C:2]#[C:1][c:3]1[cH:4][cH:6][cH:8][cH:7][cH:5]1">CAN<104:109848>NUM<0007>SEQ<0001>COMPRN<536743,109728,60297,110543,4440011>ROLESTAGE<0;109728;1;reactant>STAGE<0;536743;1;reactant>STAGE<0;60297;1;solvent>STAGE<0;110543;1;solvent>STAGE<0;4440011;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1197>ISM<"[7Li][C]#[C][c]1[cH][cH][cH][cH][cH]1.[O:8]#[C:2][52Cr:1]([C:3]#[O:9])([C:4]#[O:10])([C:5]#[O:11])([C:6]#[O:12])[C:7]#[O:13]>[CH3][CH2][O][CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1>[7LiH+].[O:8]=[C-:2]([C]1=[C]([CH]2[CH2][CH]1[CH]=[CH]2)[c]3[cH][cH][cH][cH][cH]3)[52Cr:1]([C:7]#[O:13])([C:5]#[O:11])([C:6]#[O:12])([C:3]#[O:9])[C:4]#[O:10]">CAN<104:109848>NUM<0010>SEQ<0001>COMPRN<4440011,13007926,60297,109999,99825000,99825000>ROLESTAGE<0;4440011;1;reactant>STAGE<0;13007926;1;reactant>STAGE<0;60297;1;solvent>STAGE<0;109999;1;solvent>STAGE<0;99825000;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1198>ISM<"[7Li][C]#[C][c]1[cH][cH][cH][cH][cH]1.[O:8]#[C:2][184W:1]([C:3]#[O:9])([C:4]#[O:10])([C:5]#[O:11])([C:6]#[O:12])[C:7]#[O:13]>[CH3][CH2][O][CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1>[7LiH+].[O:8]=[C-:2]([C]1=[C]([CH]2[CH2][CH]1[CH]=[CH]2)[c]3[cH][cH][cH][cH][cH]3)[184W:1]([C:7]#[O:13])([C:5]#[O:11])([C:6]#[O:12])([C:3]#[O:9])[C:4]#[O:10]">CAN<104:109848>NUM<0011>SEQ<0001>COMPRN<4440011,14040110,60297,109999,99825011,99825011>ROLESTAGE<0;4440011;1;reactant>STAGE<0;14040110;1;reactant>STAGE<0;60297;1;solvent>STAGE<0;109999;1;solvent>STAGE<0;99825011;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1199>ISM<"[CH3:21][S:16](=[O:22])[O:8][P:2]([c:10]1[cH:19][cH:25][cH:28][cH:26][cH:20]1)([c:9]2[cH:17][cH:23][cH:27][cH:24][cH:18]2)[52Cr:1]([C:7]#[O:15])([C:6]#[O:14])([C:3]#[O:11])([C:4]#[O:12])[C:5]#[O:13].[CH3:49][S:44](=[O:50])[O:36][P:30]([c:38]1[cH:47][cH:53][cH:56][cH:54][cH:48]1)([c:37]2[cH:45][cH:51][cH:55][cH:52][cH:46]2)[52Cr:29]([C:35]#[O:43])([C:34]#[O:42])([C:31]#[O:39])([C:32]#[O:40])[C:33]#[O:41]>[CH3][CH2][O][CH2][CH3]>[CH3:21][S:16](=[O:22])[S:44](=[O:36])(=[O:50])[CH3:49].[O:43]#[C:35][52Cr:29]([C:31]#[O:39])([C:32]#[O:40])([C:33]#[O:41])([C:34]#[O:42])[P:30]([O:8][P:2]([c:9]1[cH:17][cH:23][cH:27][cH:24][cH:18]1)([c:10]2[cH:20][cH:26][cH:28][cH:25][cH:19]2)[52Cr:1]([C:3]#[O:11])([C:7]#[O:15])([C:6]#[O:14])([C:4]#[O:12])[C:5]#[O:13])([c:38]3[cH:47][cH:53][cH:56][cH:54][cH:48]3)[c:37]4[cH:45][cH:51][cH:55][cH:52][cH:46]4">CAN<104:109847>NUM<0004>SEQ<0001>COMPRN<100562821,100562821,60297,14128564,98731681>ROLESTAGE<0;100562821;2;reactant>STAGE<0;60297;1;solvent>STAGE<0;14128564;1;product>STAGE<0;98731681;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1200>ISM<"[CH3:21][S:16](=[O:22])[O:8][P:2]([c:10]1[cH:19][cH:25][cH:28][cH:26][cH:20]1)([c:9]2[cH:17][cH:23][cH:27][cH:24][cH:18]2)[98Mo:1]([C:7]#[O:15])([C:6]#[O:14])([C:3]#[O:11])([C:4]#[O:12])[C:5]#[O:13].[CH3:49][S:44](=[O:50])[O:36][P:30]([c:38]1[cH:47][cH:53][cH:56][cH:54][cH:48]1)([c:37]2[cH:45][cH:51][cH:55][cH:52][cH:46]2)[98Mo:29]([C:35]#[O:43])([C:34]#[O:42])([C:31]#[O:39])([C:32]#[O:40])[C:33]#[O:41]>[CH3][CH2][O][CH2][CH3]>[CH3:21][S:16](=[O:22])[S:44](=[O:36])(=[O:50])[CH3:49].[O:43]#[C:35][98Mo:29]([C:31]#[O:39])([C:32]#[O:40])([C:33]#[O:41])([C:34]#[O:42])[P:30]([O:8][P:2]([c:9]1[cH:17][cH:23][cH:27][cH:24][cH:18]1)([c:10]2[cH:20][cH:26][cH:28][cH:25][cH:19]2)[98Mo:1]([C:3]#[O:11])([C:7]#[O:15])([C:6]#[O:14])([C:4]#[O:12])[C:5]#[O:13])([c:38]3[cH:47][cH:53][cH:56][cH:54][cH:48]3)[c:37]4[cH:45][cH:51][cH:55][cH:52][cH:46]4">CAN<104:109847>NUM<0005>SEQ<0001>COMPRN<100588452,100588452,60297,14128564,37834223>ROLESTAGE<0;100588452;2;reactant>STAGE<0;60297;1;solvent>STAGE<0;14128564;1;product>STAGE<0;37834223;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1201>ISM<"[CH3:21][S:16](=[O:22])[O:8][P:2]([c:10]1[cH:19][cH:25][cH:28][cH:26][cH:20]1)([c:9]2[cH:17][cH:23][cH:27][cH:24][cH:18]2)[184W:1]([C:7]#[O:15])([C:6]#[O:14])([C:3]#[O:11])([C:4]#[O:12])[C:5]#[O:13].[CH3:49][S:44](=[O:50])[O:36][P:30]([c:38]1[cH:47][cH:53][cH:56][cH:54][cH:48]1)([c:37]2[cH:45][cH:51][cH:55][cH:52][cH:46]2)[184W:29]([C:35]#[O:43])([C:34]#[O:42])([C:31]#[O:39])([C:32]#[O:40])[C:33]#[O:41]>[CH3][CH2][O][CH2][CH3]>[CH3:21][S:16](=[O:22])[S:44](=[O:36])(=[O:50])[CH3:49].[O:43]#[C:35][184W:29]([C:31]#[O:39])([C:32]#[O:40])([C:33]#[O:41])([C:34]#[O:42])[P:30]([O:8][P:2]([c:9]1[cH:17][cH:23][cH:27][cH:24][cH:18]1)([c:10]2[cH:20][cH:26][cH:28][cH:25][cH:19]2)[184W:1]([C:3]#[O:11])([C:7]#[O:15])([C:6]#[O:14])([C:4]#[O:12])[C:5]#[O:13])([c:38]3[cH:47][cH:53][cH:56][cH:54][cH:48]3)[c:37]4[cH:45][cH:51][cH:55][cH:52][cH:46]4">CAN<104:109847>NUM<0006>SEQ<0001>COMPRN<100562832,100562832,60297,14128564,98731692>ROLESTAGE<0;100562832;2;reactant>STAGE<0;60297;1;solvent>STAGE<0;14128564;1;product>STAGE<0;98731692;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1202>ISM<"[CH3:2][S:1](=[O:3])(=[O:4])[Cl].[O:17]#[C:10][52Cr:5]([C:11]#[O:18])([C:9]#[O:16])([C:8]#[O:15])([C:7]#[O:14])[PH:6]([c:13]1[cH:22][cH:26][cH:28][cH:25][cH:21]1)[c:12]2[cH:20][cH:24][cH:27][cH:23][cH:19]2>[CH3][CH2][N]([CH2][CH3])[CH2][CH3].[CH3][CH2][O][CH2][CH3]>[CH3:2][S:1](=[O:4])[O:3][P:6]([c:13]1[cH:21][cH:25][cH:28][cH:26][cH:22]1)([c:12]2[cH:19][cH:23][cH:27][cH:24][cH:20]2)[52Cr:5]([C:11]#[O:18])([C:10]#[O:17])([C:7]#[O:14])([C:8]#[O:15])[C:9]#[O:16]">CAN<104:109847>NUM<0007>SEQ<0001>COMPRN<124630,18399605,121448,60297,100562821>ROLESTAGE<0;124630;1;reactant>STAGE<0;18399605;1;reactant>STAGE<0;121448;1;reagent>STAGE<0;60297;1;solvent>STAGE<0;100562821;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1203>ISM<"[CH3:2][S:1](=[O:3])(=[O:4])[Cl].[O:17]#[C:10][98Mo:5]([C:11]#[O:18])([C:9]#[O:16])([C:8]#[O:15])([C:7]#[O:14])[PH:6]([c:13]1[cH:22][cH:26][cH:28][cH:25][cH:21]1)[c:12]2[cH:20][cH:24][cH:27][cH:23][cH:19]2>[CH3][CH2][N]([CH2][CH3])[CH2][CH3].[CH3][CH2][O][CH2][CH3]>[CH3:2][S:1](=[O:4])[O:3][P:6]([c:13]1[cH:21][cH:25][cH:28][cH:26][cH:22]1)([c:12]2[cH:19][cH:23][cH:27][cH:24][cH:20]2)[98Mo:5]([C:11]#[O:18])([C:10]#[O:17])([C:7]#[O:14])([C:8]#[O:15])[C:9]#[O:16]">CAN<104:109847>NUM<0008>SEQ<0001>COMPRN<124630,18399616,121448,60297,100588452>ROLESTAGE<0;124630;1;reactant>STAGE<0;18399616;1;reactant>STAGE<0;121448;1;reagent>STAGE<0;60297;1;solvent>STAGE<0;100588452;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1204>ISM<"[CH3:2][S:1](=[O:3])(=[O:4])[Cl].[O:17]#[C:10][184W:5]([C:11]#[O:18])([C:9]#[O:16])([C:8]#[O:15])([C:7]#[O:14])[PH:6]([c:13]1[cH:22][cH:26][cH:28][cH:25][cH:21]1)[c:12]2[cH:20][cH:24][cH:27][cH:23][cH:19]2>[CH3][CH2][N]([CH2][CH3])[CH2][CH3].[CH3][CH2][O][CH2][CH3]>[CH3:2][S:1](=[O:4])[O:3][P:6]([c:13]1[cH:21][cH:25][cH:28][cH:26][cH:22]1)([c:12]2[cH:19][cH:23][cH:27][cH:24][cH:20]2)[184W:5]([C:11]#[O:18])([C:10]#[O:17])([C:7]#[O:14])([C:8]#[O:15])[C:9]#[O:16]">CAN<104:109847>NUM<0009>SEQ<0001>COMPRN<124630,18399627,121448,60297,100562832>ROLESTAGE<0;124630;1;reactant>STAGE<0;18399627;1;reactant>STAGE<0;121448;1;reagent>STAGE<0;60297;1;solvent>STAGE<0;100562832;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1205>ISM<"[CH3:2][C:1]([CH3:3])([CH3:4])[SH:5].[CH3:16][C-:10]1([C:14]2(=[C:11]3([CH3:17])[C:12]4(=[C:13]15[CH3:19])[CH3:18])[CH3:20])[Mn+:8]2534([C:6]#[O:7])([C]#[O])[C:9]#[O:15]>[O]=[O].[CH2]1[CH2][CH2][O][CH2]1.[CH2]1[CH2][CH2][O][CH2]1>[CH3:2][C:1]([CH3:3])([CH3:4])[S-:5][Mn+2:8]1234([C:9]#[O:15])([C:6]#[O:7])[C-:10]5([CH3:16])[C:13]2(=[C:12]3([CH3:18])[C:11]4(=[C:14]51[CH3:20])[CH3:17])[CH3:19]">CAN<104:109846>NUM<0001>SEQ<0001>COMPRN<75661,34807891,7782447,109999,109999,100687976>ROLESTAGE<1;75661;1;reactant>STAGE<1;34807891;1;reactant>STAGE<2;7782447;1;reagent>STAGE<1;109999;1;solvent>STAGE<2;109999;1;solvent>STAGE<2;100687976;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1206>ISM<"[80SeH:1][c:2]1[cH:3][cH:5][cH:7][cH:6][cH:4]1.[O]#[C][Mn+:8]1234([C:9]#[O:16])([C:10]#[O:17])[CH-:11]5[CH:14]2=[CH:13]3[CH:12]4=[CH:15]51>[CH2]1[CH2][CH2][O][CH2]1>[O:17]#[C:10][Mn+2:8]1234([80Se-:1][c:2]5[cH:4][cH:6][cH:7][cH:5][cH:3]5)([C:9]#[O:16])[CH-:11]6[CH:15]2=[CH:12]3[CH:13]4=[CH:14]61">CAN<104:109846>NUM<0002>SEQ<0001>COMPRN<645965,12079651,109999,100687987>ROLESTAGE<0;645965;1;reactant>STAGE<0;12079651;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;100687987;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1207>ISM<"[80Se:1]([80Se][c]1[cH][cH][cH][cH][cH]1)[c:2]2[cH:3][cH:5][cH:7][cH:6][cH:4]2.[O]#[C][Mn+:8]1234([C:9]#[O:16])([C:10]#[O:17])[CH-:11]5[CH:14]2=[CH:13]3[CH:12]4=[CH:15]51>[CH2]1[CH2][CH2][O][CH2]1>[O:17]#[C:10][Mn+2:8]1234([80Se-:1][c:2]5[cH:4][cH:6][cH:7][cH:5][cH:3]5)([C:9]#[O:16])[CH-:11]6[CH:15]2=[CH:12]3[CH:13]4=[CH:14]61">CAN<104:109846>NUM<0002>SEQ<0002>COMPRN<1666133,12079651,109999,100687987>ROLESTAGE<0;1666133;1;reactant>STAGE<0;12079651;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;100687987;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1208>ISM<"[OH][80Se:1](=[O])[c:2]1[cH:3][cH:5][cH:7][cH:6][cH:4]1.[O]#[C][Mn+:8]1234([C:9]#[O:16])([C:10]#[O:17])[CH-:11]5[CH:14]2=[CH:13]3[CH:12]4=[CH:15]51>[CH2]1[CH2][CH2][O][CH2]1>[O:17]#[C:10][Mn+2:8]1234([80Se-:1][c:2]5[cH:4][cH:6][cH:7][cH:5][cH:3]5)([C:9]#[O:16])[CH-:11]6[CH:15]2=[CH:12]3[CH:13]4=[CH:14]61">CAN<104:109846>NUM<0002>SEQ<0003>COMPRN<6996925,12079651,109999,100687987>ROLESTAGE<0;6996925;1;reactant>STAGE<0;12079651;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;100687987;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1209>ISM<"[Br-].[CH3:2][N+:1]([CH3:3])([CH3:4])[CH3:5].[O:19]#[C:10][Mn+2:7]1234([80Se-:6][c:8]5[cH:17][cH:21][cH:22][cH:20][cH:16]5)([C:9]#[O:18])[CH-:11]6[CH:15]2=[CH:12]3[CH:13]4=[CH:14]61>[LiH+].[H-][BH2+3]([H-])([H-])[H-].[CH2]1[CH2][CH2][O][CH2]1.[OH2].[CH2]1[CH2][CH2][O][CH2]1.[OH2]>[CH3:2][N+:1]([CH3:3])([CH3:4])[CH3:5].[O:19]#[C:10][Mn+:7]1234([80Se-:6][c:8]5[cH:17][cH:21][cH:22][cH:20][cH:16]5)([C:9]#[O:18])[CH-:11]6[CH:15]2=[CH:12]3[CH:13]4=[CH:14]61">CAN<104:109846>NUM<0003>SEQ<0001>COMPRN<64200,64200,100687987,16940662,16940662,109999,7732185,109999,7732185,51923,100687998>ROLESTAGE<1;100687987;1;reactant>STAGE<2;64200;1;reactant>STAGE<1;16940662;1;reagent>STAGE<1;109999;1;solvent>STAGE<2;109999;1;solvent>STAGE<1;7732185;1;solvent>STAGE<2;7732185;1;solvent>STAGE<2;100688004;1;product>MCOMPRN<100688004;51923;1>MCOMPRN<100688004;100687998;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1210>ISM<"[CH3:2][C:1]([CH3:3])([CH3:4])[SH:5].[O]#[C][Mn]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[Mn:6]([C:7]#[O:12])([C:8]#[O:13])([C:9]#[O:14])([C:10]#[O:15])[C:11]#[O:16].[O]#[C][Mn+:17]1234([C:18]#[O:24])([C]#[O])[CH-:19]5[CH:22]2=[CH:21]3[CH:20]4=[CH:23]51>[CH3][c]1[cH][cH][cH][cH][cH]1.[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:4][C:1]([CH3:3])([CH3:2])[S-:5]1[Mn+2:6]2([C:11]#[O:16])([C:10]#[O:15])([C:9]#[O:14])([C:8]#[O:13])[C-2:7](=[O:12])[Mn+2:17]314562([C:18]#[O:24])[CH-:19]7[CH:23]4=[CH:20]5[CH:21]6=[CH:22]73">CAN<104:109846>NUM<0005>SEQ<0001>COMPRN<75661,10170691,12079651,108883,108883,100688026>ROLESTAGE<1;75661;1;reactant>STAGE<1;12079651;1;reactant>STAGE<2;10170691;1;reactant>STAGE<1;108883;1;solvent>STAGE<2;108883;1;solvent>STAGE<2;100688026;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1211>ISM<"[SH:1][CH:2]1[CH:3]2[CH2:5][CH:9]3[CH2:11][CH:10]([CH2:6]2)[CH2:7][CH:4]1[CH2:8]3.[CH3:22][C-:16]1([C:20]2(=[C:17]3([CH3:23])[C:18]4(=[C:19]15[CH3:25])[CH3:24])[CH3:26])[Mn+:14]2534([C:12]#[O:13])([C]#[O])[C:15]#[O:21]>[O]=[O].[CH2]1[CH2][CH2][O][CH2]1.[CH2]1[CH2][CH2][O][CH2]1>[CH3:22][C-:16]1([C:20]2(=[C:17]3([CH3:23])[C:18]4(=[C:19]15[CH3:25])[CH3:24])[CH3:26])[Mn+2:14]2534([S-:1][CH:2]6[CH:4]7[CH2:8][CH:9]8[CH2:11][CH:10]([CH2:7]7)[CH2:6][CH:3]6[CH2:5]8)([C:15]#[O:21])[C:12]#[O:13]">CAN<104:109846>NUM<0006>SEQ<0001>COMPRN<23695661,34807891,7782447,109999,109999,100740703>ROLESTAGE<1;23695661;1;reactant>STAGE<1;34807891;1;reactant>STAGE<2;7782447;1;reagent>STAGE<1;109999;1;solvent>STAGE<2;109999;1;solvent>STAGE<2;100740703;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1212>ISM<"[CH3:2][C:1]([CH3:3])([CH3:4])[SH:5].[CH3:16][C-:9]1([C:13]2(=[C:10]3([CH3:17])[C:11]4(=[C:12]15[CH3:19])[CH3:18])[CH3:20])[Mn+:6]2534([C]#[O])([C:7]#[O:14])[C:8]#[O:15]>[CH3][CH2][CH2][CH2][CH3]>[CH3:2][C:1]([CH3:3])([CH3:4])[S-:5][Mn+2:6]1234([C:8]#[O:15])([C:7]#[O:14])[C-:9]5([CH3:16])[C:12]2(=[C:11]3([CH3:18])[C:10]4(=[C:13]51[CH3:20])[CH3:17])[CH3:19]">CAN<104:109846>NUM<0501>SEQ<0001>COMPRN<75661,34807891,109660,100687976>ROLESTAGE<0;75661;1;reactant>STAGE<0;34807891;1;reactant>STAGE<0;109660;1;solvent>STAGE<0;100687976;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1213>ISM<"[SH:1][CH:2]1[CH:3]2[CH2:5][CH:9]3[CH2:11][CH:10]([CH2:6]2)[CH2:7][CH:4]1[CH2:8]3.[CH3:22][C-:15]1([C:19]2(=[C:16]3([CH3:23])[C:17]4(=[C:18]15[CH3:25])[CH3:24])[CH3:26])[Mn+:12]2534([C]#[O])([C:13]#[O:20])[C:14]#[O:21]>[CH3][CH2][CH2][CH2][CH3]>[CH3:22][C-:15]1([C:19]2(=[C:16]3([CH3:23])[C:17]4(=[C:18]15[CH3:25])[CH3:24])[CH3:26])[Mn+2:12]2534([S-:1][CH:2]6[CH:4]7[CH2:8][CH:9]8[CH2:11][CH:10]([CH2:7]7)[CH2:6][CH:3]6[CH2:5]8)([C:14]#[O:21])[C:13]#[O:20]">CAN<104:109846>NUM<0501>SEQ<0002>COMPRN<23695661,34807891,109660,100740703>ROLESTAGE<0;23695661;1;reactant>STAGE<0;34807891;1;reactant>STAGE<0;109660;1;solvent>STAGE<0;100740703;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1214>ISM<"[CH3:3][C:1]([CH3:4])([CH3:5])[S:2](=[O])[OH].[CH3:16][C-:9]1([C:13]2(=[C:10]3([CH3:17])[C:11]4(=[C:12]15[CH3:19])[CH3:18])[CH3:20])[Mn+:6]2534([C]#[O])([C:7]#[O:14])[C:8]#[O:15]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:3][C:1]([CH3:4])([CH3:5])[S-:2][Mn+2:6]1234([C:8]#[O:15])([C:7]#[O:14])[C-:9]5([CH3:16])[C:12]2(=[C:11]3([CH3:18])[C:10]4(=[C:13]51[CH3:20])[CH3:17])[CH3:19]">CAN<104:109846>NUM<0501>SEQ<0003>COMPRN<29099089,34807891,109999,100687976>ROLESTAGE<0;29099089;1;reactant>STAGE<0;34807891;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;100687976;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1215>ISM<"[O]#[C][52Cr:1]123([CH2:7]=[CH:6]2[CH:5]3=[CH2:8]1)([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]>[40Ar]>[O:9]#[C:2][52Cr:1]123([CH2:7]=[CH:6]2[CH:5]3=[CH2:8]1)([C:3]#[O:10])[C:4]#[O:11]">CAN<104:109845>NUM<0002>SEQ<0001>COMPRN<38834332,7440371,100471598>ROLESTAGE<0;38834332;1;reactant>STAGE<0;7440371;1;solvent>STAGE<0;100471598;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1216>ISM<"[O]#[C][52Cr:1]123([CH2:7]=[CH:6]2[CH:5]3=[CH2:8]1)([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]>[N]#[N]>[N]#[N][52Cr:1]123([CH2:7]=[CH:6]2[CH:5]3=[CH2:8]1)([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]">CAN<104:109845>NUM<0003>SEQ<0001>COMPRN<38834332,7727379,100471601>ROLESTAGE<0;38834332;1;reactant>STAGE<0;7727379;1;solvent>STAGE<0;100471601;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1217>ISM<"[O]#[C][52Cr:1]123([CH2:7]=[CH:6]2[CH:5]3=[CH2:8]1)([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]>[15N]#[15N]>[15N]#[15N][52Cr:1]123([CH2:7]=[CH:6]2[CH:5]3=[CH2:8]1)([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]">CAN<104:109845>NUM<0004>SEQ<0001>COMPRN<38834332,29817796,100471612>ROLESTAGE<0;38834332;1;reactant>STAGE<0;29817796;1;solvent>STAGE<0;100471612;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1218>ISM<"[O:2]#[C:1][52Cr:3]123([CH2:9]=[CH:8]2[CH:7]3=[CH2:10]1)([C:4]#[O:11])([C:5]#[O:12])[C:6]#[O:13]>[C-]#[O+]>[CH2:10]=[CH:7][CH:8]1=[CH2:9][52Cr:3]1([C:1]#[O:2])([C]#[O])([C:4]#[O:11])([C:5]#[O:12])[C:6]#[O:13]">CAN<104:109845>NUM<0005>SEQ<0001>COMPRN<38834332,630080,100503933>ROLESTAGE<0;38834332;1;reactant>STAGE<0;630080;1;solvent>STAGE<0;100503933;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1219>ISM<"[CH3:13][C:6]12=[CH2:7][52Cr:1]23([CH2:8]=[C:5]13[CH3:12])([C]#[O])([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]>[40Ar]>[CH3:12][C:5]12=[CH2:8][52Cr:1]23([CH2:7]=[C:6]13[CH3:13])([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]">CAN<104:109845>NUM<0007>SEQ<0001>COMPRN<100503944,7440371,100471623>ROLESTAGE<0;100503944;1;reactant>STAGE<0;7440371;1;solvent>STAGE<0;100471623;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1220>ISM<"[CH3:13][C:6]12=[CH2:7][52Cr:1]23([CH2:8]=[C:5]13[CH3:12])([C]#[O])([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]>[N]#[N]>[CH3:12][C:5]12=[CH2:8][52Cr:1]23([CH2:7]=[C:6]13[CH3:13])([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]">CAN<104:109845>NUM<0007>SEQ<0002>COMPRN<100503944,7727379,100471623>ROLESTAGE<0;100503944;1;reactant>STAGE<0;7727379;1;solvent>STAGE<0;100471623;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1221>ISM<"[CH3:13][C:6]12=[CH2:7][52Cr:1]23([CH2:8]=[C:5]13[CH3:12])([C]#[O])([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]>[N]#[N]>[CH3:13][C:6]12=[CH2:7][52Cr:1]23([CH2:8]=[C:5]13[CH3:12])([C:2]#[O:9])([C:3]#[O:10])([C:4]#[O:11])[N]#[N]">CAN<104:109845>NUM<0008>SEQ<0001>COMPRN<100503944,7727379,100471634>ROLESTAGE<0;100503944;1;reactant>STAGE<0;7727379;1;solvent>STAGE<0;100471634;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1222>ISM<"[CH3:11][C:5]12=[CH2:6][52Cr:1]23([CH2:7]=[C:4]13[CH3:10])([C]#[O])([C]#[O])([C:2]#[O:8])[C:3]#[O:9]>[N]#[N]>[CH3:11][C:5]12=[CH2:6][52Cr:1]23([CH2:7]=[C:4]13[CH3:10])([C:2]#[O:8])([C:3]#[O:9])([N]#[N])[N]#[N]">CAN<104:109845>NUM<0009>SEQ<0001>COMPRN<100503944,7727379,100471645>ROLESTAGE<0;100503944;1;reactant>STAGE<0;7727379;1;solvent>STAGE<0;100471645;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1223>ISM<"[CH3:13][CH:8]1=[CH:5]2[CH:6]3=[CH:7]([CH3:12])[52Cr:1]123([C]#[O])([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]>[40Ar]>[CH3:12][CH:7]1=[CH:6]2[CH:5]3=[CH:8]([CH3:13])[52Cr:1]123([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]">CAN<104:109845>NUM<0011>SEQ<0001>COMPRN<53369338,7440371,100442135>ROLESTAGE<0;53369338;1;reactant>STAGE<0;7440371;1;solvent>STAGE<0;100442135;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1224>ISM<"[CH3:13][CH:8]1=[CH:5]2[CH:6]3=[CH:7]([CH3:12])[52Cr:1]123([C]#[O])([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]>[N]#[N]>[CH3:12][CH:7]1=[CH:6]2[CH:5]3=[CH:8]([CH3:13])[52Cr:1]123([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]">CAN<104:109845>NUM<0011>SEQ<0002>COMPRN<53369338,7727379,100442135>ROLESTAGE<0;53369338;1;reactant>STAGE<0;7727379;1;solvent>STAGE<0;100442135;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1225>ISM<"[CH3:13][CH:8]1=[CH:5]2[CH:6]3=[CH:7]([CH3:12])[52Cr:1]123([C]#[O])([C:2]#[O:9])([C:3]#[O:10])[C:4]#[O:11]>[N]#[N]>[CH3:13][CH:8]1=[CH:5]2[CH:6]3=[CH:7]([CH3:12])[52Cr:1]123([C:2]#[O:9])([C:3]#[O:10])([C:4]#[O:11])[N]#[N]">CAN<104:109845>NUM<0012>SEQ<0001>COMPRN<53369338,7727379,100442146>ROLESTAGE<0;53369338;1;reactant>STAGE<0;7727379;1;solvent>STAGE<0;100442146;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1226>ISM<"[CH:1]1=[CH:3][CH:5]=[CH:7][CH:8]=[CH:6][CH:4]=[CH:2]1.[CH:9]1=[CH:11][CH:13]=[CH:15][CH:16]=[CH:14][CH:12]=[CH:10]1.[CH3:30][O:24][P:18]([O:23][CH3:29])([O:22][CH3:28])[184W:17]([C:21]#[O:27])([C]#[O])([C:20]#[O:26])([C]#[O])[C:19]#[O:25].[CH3:44][O:38][P:32]([O:37][CH3:43])([O:36][CH3:42])[184W:31]([C:35]#[O:41])([C]#[O])([C:34]#[O:40])([C]#[O])[C:33]#[O:39]>[CH3][CH2][CH2][CH2][CH3]>[CH3:30][O:24][P:18]([O:22][CH3:28])([O:23][CH3:29])[184W:17]123([C:19]#[O:25])([C:21]#[O:27])([C:20]#[O:26])[CH:6]4=[CH:4][CH:2]=[CH:1]2[CH:3]3=[CH:5][CH:7]=[CH:8]41.[CH3:44][O:38][P:32]([O:36][CH3:42])([O:37][CH3:43])[184W:31]123([C:33]#[O:39])([C:35]#[O:41])([C:34]#[O:40])[CH:14]4=[CH:12][CH:10]=[CH:9]2[CH:11]3=[CH:13][CH:15]=[CH:16]41">CAN<104:109844>NUM<0001>SEQ<0001>COMPRN<629209,629209,23306425,23306425,109660,100412531,100568943>ROLESTAGE<0;629209;2;reactant>STAGE<0;23306425;2;reactant>STAGE<0;109660;1;solvent>STAGE<0;100412531;1;product>STAGE<0;100568943;1;product>NOTES<"photolysis">| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1227>ISM<"[O:7]#[C:2][98Mo:1]([C]#[O])([C:3]#[O:8])([C:4]#[O:9])([C:5]#[O:10])[C:6]#[O:11].[S]=[c:12]1[o:14][c:16]([c:15]([o:13]1)[c:17]2[cH:20][cH:24][cH:27][cH:23][cH:19]2)[c:18]3[cH:22][cH:26][cH:28][cH:25][cH:21]3.[S]=[c:29]1[o:31][c:33]([c:32]([o:30]1)[c:34]2[cH:37][cH:41][cH:44][cH:40][cH:36]2)[c:35]3[cH:39][cH:43][cH:45][cH:42][cH:38]3>[cH]1[cH][cH][cH][cH][cH]1>[O]=[c:29]1[o:31][c:33]([c:32]([o:30]1)[c:34]2[cH:37][cH:41][cH:44][cH:40][cH:36]2)[c:35]3[cH:39][cH:43][cH:45][cH:42][cH:38]3.[O:7]#[C:2][98Mo+2:1]([C:3]#[O:8])([C:4]#[O:9])([C:5]#[O:10])([C:6]#[O:11])[C-2:12]1[O:14][C:16](=[C:15]([O:13]1)[c:17]2[cH:19][cH:23][cH:27][cH:24][cH:20]2)[c:18]3[cH:22][cH:26][cH:28][cH:25][cH:21]3">CAN<104:109843>NUM<0001>SEQ<0001>COMPRN<13939065,37528022,37528022,71432,21240346,100494619>ROLESTAGE<0;13939065;1;reactant>STAGE<0;37528022;2;reactant>STAGE<0;71432;1;solvent>STAGE<0;21240346;1;product>STAGE<0;100494619;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1228>ISM<"[O:7]#[C:2][98Mo:1]([C]#[O])([C:3]#[O:8])([C:4]#[O:9])([C:5]#[O:10])[C:6]#[O:11].[S]=[c:12]1[o:14][c:16]([c:15]([o:13]1)[c:17]2[cH:20][cH:24][cH:27][cH:23][cH:19]2)[c:18]3[cH:22][cH:26][cH:28][cH:25][cH:21]3.[S]=[c:29]1[o:31][c:33]([c:32]([o:30]1)[c:34]2[cH:37][cH:41][cH:44][cH:40][cH:36]2)[c:35]3[cH:39][cH:43][cH:45][cH:42][cH:38]3>[CH3][c]1[cH][cH][cH][cH][cH]1>[O]=[c:29]1[o:31][c:33]([c:32]([o:30]1)[c:34]2[cH:37][cH:41][cH:44][cH:40][cH:36]2)[c:35]3[cH:39][cH:43][cH:45][cH:42][cH:38]3.[O:7]#[C:2][98Mo+2:1]([C:3]#[O:8])([C:4]#[O:9])([C:5]#[O:10])([C:6]#[O:11])[C-2:12]1[O:14][C:16](=[C:15]([O:13]1)[c:17]2[cH:19][cH:23][cH:27][cH:24][cH:20]2)[c:18]3[cH:22][cH:26][cH:28][cH:25][cH:21]3">CAN<104:109843>NUM<0001>SEQ<0002>COMPRN<13939065,37528022,37528022,108883,21240346,100494619>ROLESTAGE<0;13939065;1;reactant>STAGE<0;37528022;2;reactant>STAGE<0;108883;1;solvent>STAGE<0;21240346;1;product>STAGE<0;100494619;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1229>ISM<"[cH:19]1[cH:16][cH:10][c:4]([cH:9][cH:15]1)[P:1]([c:3]2[cH:8][cH:14][cH:18][cH:13][cH:7]2)[c:2]3[cH:5][cH:11][cH:17][cH:12][cH:6]3.[O:25]#[C:21][98Mo:20]([C]#[O])([C:22]#[O:26])([C]#[O])([C:23]#[O:27])[C:24]#[O:28].[S]=[c:29]1[o:31][c:33]([c:32]([o:30]1)[c:34]2[cH:37][cH:41][cH:44][cH:40][cH:36]2)[c:35]3[cH:39][cH:43][cH:45][cH:42][cH:38]3>[CH3][c]1[cH][cH][cH][cH][cH]1>[O:27]#[C:23][98Mo+2:20]([C:24]#[O:28])([C:22]#[O:26])([C:21]#[O:25])([C-2:29]1[O:31][C:33](=[C:32]([O:30]1)[c:34]2[cH:37][cH:41][cH:44][cH:40][cH:36]2)[c:35]3[cH:38][cH:42][cH:45][cH:43][cH:39]3)[P:1]([c:4]4[cH:10][cH:16][cH:19][cH:15][cH:9]4)([c:3]5[cH:8][cH:14][cH:18][cH:13][cH:7]5)[c:2]6[cH:6][cH:12][cH:17][cH:11][cH:5]6">CAN<104:109843>NUM<0001>SEQ<0003>COMPRN<603350,13939065,37528022,108883,100494631>ROLESTAGE<0;603350;1;reactant>STAGE<0;13939065;1;reactant>STAGE<0;37528022;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;100494631;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1230>ISM<"[O]#[C][98Mo]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[P]([c]1[cH][cH][cH][cH][cH]1)([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3.[S]=[c]1[o:2][c:4]([c:3]([o:1]1)[c:5]2[cH:8][cH:12][cH:15][cH:11][cH:7]2)[c:6]3[cH:10][cH:14][cH:16][cH:13][cH:9]3>[CH3][c]1[cH][cH][cH][cH][cH]1>[O:1]=[C:3]([C:4](=[O:2])[c:6]1[cH:10][cH:14][cH:16][cH:13][cH:9]1)[c:5]2[cH:8][cH:12][cH:15][cH:11][cH:7]2">CAN<104:109843>NUM<0001>SEQ<0004>COMPRN<14971427,37528022,108883,134816>ROLESTAGE<0;14971427;1;reactant>STAGE<0;37528022;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;134816;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1231>ISM<"[O:7]#[C:2][98Mo:1]([C]#[O])([C:3]#[O:8])([C:4]#[O:9])([C:5]#[O:10])[C:6]#[O:11].[CH3:30][c:28]1[cH:26][cH:22][c:18]([cH:21][cH:25]1)[c:16]2[o:14][c:12](=[S])[o:13][c:15]2[c:17]3[cH:20][cH:24][c:27]([CH3:29])[cH:23][cH:19]3>[cH]1[cH][cH][cH][cH][cH]1>[CH3:30][c:28]1[cH:26][cH:22][c:18]([cH:21][cH:25]1)[C:16]2=[C:15]([O:13][C-2:12]([O:14]2)[98Mo+2:1]([C:6]#[O:11])([C:5]#[O:10])([C:4]#[O:9])([C:3]#[O:8])[C:2]#[O:7])[c:17]3[cH:19][cH:23][c:27]([CH3:29])[cH:24][cH:20]3">CAN<104:109843>NUM<0002>SEQ<0001>COMPRN<13939065,87752101,71432,100494620>ROLESTAGE<0;13939065;1;reactant>STAGE<0;87752101;1;reactant>STAGE<0;71432;1;solvent>STAGE<0;100494620;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1232>ISM<"[O:7]#[C:2][98Mo:1]([C]#[O])([C:3]#[O:8])([C:4]#[O:9])([C:5]#[O:10])[C:6]#[O:11].[CH3:30][c:28]1[cH:26][cH:22][c:18]([cH:21][cH:25]1)[c:16]2[o:14][c:12](=[S])[o:13][c:15]2[c:17]3[cH:20][cH:24][c:27]([CH3:29])[cH:23][cH:19]3.[CH3:48][c:46]1[cH:44][cH:40][c:36]([cH:39][cH:43]1)[c:34]2[o:32][c](=[S])[o:31][c:33]2[c:35]3[cH:38][cH:42][c:45]([CH3:47])[cH:41][cH:37]3.[CH3:67][c:65]1[cH:63][cH:59][c:55]([cH:58][cH:62]1)[c:53]2[o:51][c:49](=[S])[o:50][c:52]2[c:54]3[cH:57][cH:61][c:64]([CH3:66])[cH:60][cH:56]3.[CH3:83][c:81]1[cH:79][cH:75][c:71]([cH:74][cH:78]1)[c:69]2[o][c](=[S])[o][c:68]2[c:70]3[cH:73][cH:77][c:80]([CH3:82])[cH:76][cH:72]3>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:83][c:81]1[cH:78][cH:74][c:71]([C:69]#[C:68][c:70]2[cH:72][cH:76][c:80]([CH3:82])[cH:77][cH:73]2)[cH:75][cH:79]1.[CH3:48][c:46]1[cH:44][cH:40][c:36]([cH:39][cH:43]1)[C:34](=[O:32])[C:33](=[O:31])[c:35]2[cH:38][cH:42][c:45]([CH3:47])[cH:41][cH:37]2.[CH3:67][c:65]1[cH:63][cH:59][c:55]([cH:58][cH:62]1)[c:53]2[o:51][c:49](=[O])[o:50][c:52]2[c:54]3[cH:57][cH:61][c:64]([CH3:66])[cH:60][cH:56]3.[CH3:30][c:28]1[cH:26][cH:22][c:18]([cH:21][cH:25]1)[C:16]2=[C:15]([O:13][C-2:12]([O:14]2)[98Mo+2:1]([C:6]#[O:11])([C:5]#[O:10])([C:4]#[O:9])([C:3]#[O:8])[C:2]#[O:7])[c:17]3[cH:19][cH:23][c:27]([CH3:29])[cH:24][cH:20]3">CAN<104:109843>NUM<0002>SEQ<0002>COMPRN<13939065,87752101,87752101,87752101,87752101,108883,2789880,3457485,40352554,100494620>ROLESTAGE<0;13939065;1;reactant>STAGE<0;87752101;4;reactant>STAGE<0;108883;1;solvent>STAGE<0;2789880;1;product>STAGE<0;3457485;1;product>STAGE<0;40352554;1;product>STAGE<0;100494620;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1233>ISM<"[cH:19]1[cH:16][cH:10][c:4]([cH:9][cH:15]1)[P:1]([c:3]2[cH:8][cH:14][cH:18][cH:13][cH:7]2)[c:2]3[cH:5][cH:11][cH:17][cH:12][cH:6]3.[O:26]#[C:21][98Mo:20]([C]#[O])([C:22]#[O:27])([C:23]#[O:28])([C:24]#[O:29])[C:25]#[O:30]>[CH3][c]1[cH][cH][cH][cH][cH]1>[O:28]#[C:23][98Mo:20]([C:25]#[O:30])([C:24]#[O:29])([C:21]#[O:26])([C:22]#[O:27])[P:1]([c:3]1[cH:8][cH:14][cH:18][cH:13][cH:7]1)([c:2]2[cH:6][cH:12][cH:17][cH:11][cH:5]2)[c:4]3[cH:9][cH:15][cH:19][cH:16][cH:10]3">CAN<104:109843>NUM<0003>SEQ<0001>COMPRN<603350,13939065,108883,14971427>ROLESTAGE<0;603350;1;reactant>STAGE<0;13939065;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;14971427;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1234>ISM<"[O]#[C][98Mo+2]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C-2]1[O][C:2](=[C:1]([O]1)[c:3]2[cH:5][cH:9][cH:13][cH:10][cH:6]2)[c:4]3[cH:8][cH:12][cH:14][cH:11][cH:7]3.[O]#[C][98Mo+2]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C-2:15]1[O:17][C:19](=[C:18]([O:16]1)[c:20]2[cH:22][cH:26][cH:30][cH:27][cH:23]2)[c:21]3[cH:25][cH:29][cH:31][cH:28][cH:24]3.[O]#[C][98Mo+2]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C-2]1[O:33][C:35](=[C:34]([O:32]1)[c:36]2[cH:38][cH:42][cH:46][cH:43][cH:39]2)[c:37]3[cH:41][cH:45][cH:47][cH:44][cH:40]3>[CH2]1[CH2][CH2][CH]2[CH2][CH2][CH2][CH2][CH]2[CH2]1>[O:32]=[C:34]([C:35](=[O:33])[c:37]1[cH:41][cH:45][cH:47][cH:44][cH:40]1)[c:36]2[cH:39][cH:43][cH:46][cH:42][cH:38]2.[C:1](#[C:2][c:4]1[cH:8][cH:12][cH:14][cH:11][cH:7]1)[c:3]2[cH:5][cH:9][cH:13][cH:10][cH:6]2.[O]=[c:15]1[o:17][c:19]([c:18]([o:16]1)[c:20]2[cH:23][cH:27][cH:30][cH:26][cH:22]2)[c:21]3[cH:25][cH:29][cH:31][cH:28][cH:24]3">CAN<104:109843>NUM<0004>SEQ<0001>COMPRN<100494619,100494619,100494619,91178,134816,501655,21240346>ROLESTAGE<0;100494619;3;reactant>STAGE<0;91178;1;solvent>STAGE<0;134816;1;product>STAGE<0;501655;1;product>STAGE<0;21240346;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1235>ISM<"[S]=[c:1]1[o:3][c:5]([c:4]([o:2]1)[c:6]2[cH:9][cH:13][cH:16][cH:12][cH:8]2)[c:7]3[cH:11][cH:15][cH:17][cH:14][cH:10]3.[O:24]#[C:19][98Mo+2:18]([C]#[O])([C:20]#[O:25])([C:21]#[O:26])([C:22]#[O:27])[C-2:23]1[O:29][C:31](=[C:30]([O:28]1)[c:32]2[cH:34][cH:38][cH:42][cH:39][cH:35]2)[c:33]3[cH:37][cH:41][cH:43][cH:40][cH:36]3>[CH3][c]1[cH][cH][cH][cH][cH]1>[O:24]#[C:19][98Mo+4:18]([C:20]#[O:25])([C:21]#[O:26])([C:22]#[O:27])([C-2:1]1[O:2][C:4](=[C:5]([O:3]1)[c:7]2[cH:11][cH:15][cH:17][cH:14][cH:10]2)[c:6]3[cH:9][cH:13][cH:16][cH:12][cH:8]3)[C-2:23]4[O:29][C:31](=[C:30]([O:28]4)[c:32]5[cH:35][cH:39][cH:42][cH:38][cH:34]5)[c:33]6[cH:37][cH:41][cH:43][cH:40][cH:36]6">CAN<104:109843>NUM<0004>SEQ<0002>COMPRN<37528022,100494619,108883,100494642>ROLESTAGE<0;37528022;1;reactant>STAGE<0;100494619;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;100494642;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1236>ISM<"[S]=[C]1[S][CH2][CH2][S]1.[O]#[C][98Mo+2]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C-2]1[O][C](=[C]([O]1)[c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3>[CH3][c]1[cH][cH][cH][cH][cH]1>[S]=[c]1[o][c]([c]([o]1)[c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3.[O]#[C][98Mo+4]([C]#[O])([C]#[O])([C]#[O])([C-2]1[O][C](=[C]([O]1)[c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3)[C-2]4[O][C](=[C]([O]4)[c]5[cH][cH][cH][cH][cH]5)[c]6[cH][cH][cH][cH][cH]6">CAN<104:109843>NUM<0004>SEQ<0003>COMPRN<822388,100494619,108883,37528022,100494642>ROLESTAGE<0;822388;1;reactant>STAGE<0;100494619;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;37528022;1;product>STAGE<0;100494642;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1237>ISM<"[O]#[C][98Mo+2]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C-2:1]1[O:3][C:5](=[C:4]([O:2]1)[c:6]2[cH:8][cH:12][cH:16][cH:13][cH:9]2)[c:7]3[cH:11][cH:15][cH:17][cH:14][cH:10]3>[SH2].[CH3][c]1[cH][cH][cH][cH][cH]1>[S]=[c:1]1[o:3][c:5]([c:4]([o:2]1)[c:6]2[cH:9][cH:13][cH:16][cH:12][cH:8]2)[c:7]3[cH:11][cH:15][cH:17][cH:14][cH:10]3">CAN<104:109843>NUM<0004>SEQ<0004>COMPRN<100494619,7704349,108883,37528022>ROLESTAGE<0;100494619;1;reactant>STAGE<0;7704349;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;37528022;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1238>ISM<"[O]#[C][98Mo+2]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C-2:1]1[O:3][C:5](=[C:4]([O:2]1)[c:6]2[cH:8][cH:12][cH:16][cH:13][cH:9]2)[c:7]3[cH:11][cH:15][cH:17][cH:14][cH:10]3.[O]#[C][98Mo+2]([C]#[O])([C]#[O])([C]#[O])([C]#[O])[C-2]1[O:19][C:21](=[C:20]([O:18]1)[c:22]2[cH:24][cH:28][cH:32][cH:29][cH:25]2)[c:23]3[cH:27][cH:31][cH:33][cH:30][cH:26]3>[O]=[O].[CH3][c]1[cH][cH][cH][cH][cH]1>[O:18]=[C:20]([C:21](=[O:19])[c:23]1[cH:27][cH:31][cH:33][cH:30][cH:26]1)[c:22]2[cH:25][cH:29][cH:32][cH:28][cH:24]2.[O]=[c:1]1[o:3][c:5]([c:4]([o:2]1)[c:6]2[cH:9][cH:13][cH:16][cH:12][cH:8]2)[c:7]3[cH:11][cH:15][cH:17][cH:14][cH:10]3">CAN<104:109843>NUM<0004>SEQ<0005>COMPRN<100494619,100494619,7782447,108883,134816,21240346>ROLESTAGE<0;100494619;2;reactant>STAGE<0;7782447;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;134816;1;product>STAGE<0;21240346;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1239>ISM<"[CH3:19][c:17]1[cH:15][cH:11][c:7]([cH:10][cH:14]1)[c:5]2[o:3][c:1](=[S])[o:2][c:4]2[c:6]3[cH:9][cH:13][c:16]([CH3:18])[cH:12][cH:8]3.[CH3:47][c:45]1[cH:43][cH:39][c:35]([cH:38][cH:42]1)[C:33]2=[C:32]([O:30][C-2:25]([O:31]2)[98Mo+2:20]([C:24]#[O:29])([C:23]#[O:28])([C:22]#[O:27])([C]#[O])[C:21]#[O:26])[c:34]3[cH:36][cH:40][c:44]([CH3:46])[cH:41][cH:37]3>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:19][c:17]1[cH:15][cH:11][c:7]([cH:10][cH:14]1)[C:5]2=[C:4]([O:2][C-2:1]([O:3]2)[98Mo+4:20]([C:23]#[O:28])([C:21]#[O:26])([C:22]#[O:27])([C:24]#[O:29])[C-2:25]3[O:30][C:32](=[C:33]([O:31]3)[c:35]4[cH:38][cH:42][c:45]([CH3:47])[cH:43][cH:39]4)[c:34]5[cH:36][cH:40][c:44]([CH3:46])[cH:41][cH:37]5)[c:6]6[cH:9][cH:13][c:16]([CH3:18])[cH:12][cH:8]6">CAN<104:109843>NUM<0005>SEQ<0001>COMPRN<87752101,100494620,108883,100494653>ROLESTAGE<0;87752101;1;reactant>STAGE<0;100494620;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;100494653;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1240>ISM<"[CH3:22][C-:12]1([C:11]2(=[C:5]3([CH3:15])[C:3]4(=[C:4]15[CH3:14])[CH3:13])[CH3:21])[238U+4:2]62573489([CH3-:1])([Cl-])[C-:9]%10([CH3:19])[C:8]7(=[C:7]8([CH3:17])[C:10]9(=[C:6]%106[CH3:16])[CH3:20])[CH3:18].[Br][24Mg][CH2][CH2][CH]=[CH2]>[CH3][CH2][O][CH2][CH3]>[CH3:21][C-:11]1([C:12]2(=[C:4]3([CH3:14])[C:3]4(=[C:5]15[CH3:15])[CH3:13])[CH3:22])[238U+2:2]67258349%10([CH](=[CH2])[CH]6=[CH2:1])[C-:7]%11([CH3:17])[C:10]8(=[C:6]9([CH3:16])[C:9]%10(=[C:8]%117[CH3:18])[CH3:19])[CH3:20]">CAN<104:109842>NUM<0002>SEQ<0001>COMPRN<67506916,7103095,60297,99829513>ROLESTAGE<0;7103095;1;reactant>STAGE<0;67506916;1;reactant>STAGE<0;60297;1;solvent>STAGE<0;99829513;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1241>ISM<"[CH2]1[CH2][CH2][O]([CH2]1)[24Mg+2]2([CH2-][CH]=[CH][CH2-]2)[O]3[CH2][CH2][CH2][CH2]3.[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[238U+4]62573489([Cl-])([Cl-])[C-]%10([CH3])[C]7(=[C]8([CH3])[C]9(=[C]%106[CH3])[CH3])[CH3]>[CH2]1[CH2][CH2][O][CH2]1>[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[238U+2]67258349%10([CH](=[CH2])[CH]6=[CH2])[C-]%11([CH3])[C]8(=[C]9([CH3])[C]%10(=[C]%117[CH3])[CH3])[CH3]">CAN<104:109842>NUM<0002>SEQ<0002>COMPRN<83995884,67506892,109999,99829513>ROLESTAGE<0;67506892;1;reactant>STAGE<0;83995884;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;99829513;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1242>ISM<"[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[232Th+4]62573489([Cl-])([Cl-])[C-]%10([CH3])[C]7(=[C]8([CH3])[C]9(=[C]%106[CH3])[CH3])[CH3].[CH2]1[CH2][CH2][O]([CH2]1)[24Mg+2]2([CH2-][CH]=[CH][CH2-]2)[O]3[CH2][CH2][CH2][CH2]3>[CH2]1[CH2][CH2][O][CH2]1>[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[232Th+2]67258349%10([CH](=[CH2])[CH]6=[CH2])[C-]%11([CH3])[C]8(=[C]9([CH3])[C]%10(=[C]%117[CH3])[CH3])[CH3]">CAN<104:109842>NUM<0003>SEQ<0001>COMPRN<67506881,83995884,109999,99668630>ROLESTAGE<0;67506881;1;reactant>STAGE<0;83995884;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;99668630;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1243>ISM<"[CH3:21][C-:11]1([C:5]2(=[C:4]3([CH3:14])[C:2]4(=[C:3]15[CH3:13])[CH3:12])[CH3:15])[232Th+4:1]62573489([Cl-])([Cl-])[C-:6]%10([CH3:16])[C:10]7(=[C:7]8([CH3:17])[C:8]9(=[C:9]%106[CH3:19])[CH3:18])[CH3:20].[CH3:22][C:23]1=[C:25]([CH3:26])[CH2-:27][24Mg+2]([CH2-:24]1)([O]2[CH2][CH2][CH2][CH2]2)[O]3[CH2][CH2][CH2][CH2]3>[CH2]1[CH2][CH2][O][CH2]1>[CH3:21][C-:11]1([C:5]2(=[C:4]3([CH3:14])[C:2]4(=[C:3]15[CH3:13])[CH3:12])[CH3:15])[232Th+2:1]67258349%10([C-:6]%11([CH3:16])[C:10]8(=[C:7]9([CH3:17])[C:8]%10(=[C:9]%116[CH3:19])[CH3:18])[CH3:20])[C:25](=[CH2:27])([CH3:26])[C:23]7(=[CH2:24])[CH3:22]">CAN<104:109842>NUM<0004>SEQ<0001>COMPRN<67506881,99829535,109999,99829524>ROLESTAGE<0;67506881;1;reactant>STAGE<0;99829535;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;99829524;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1244>ISM<"[7Li][CH:1]=[CH2:2].[7Li][CH:3]=[CH2:4].[CH3:25][C-:15]1([C:9]2(=[C:8]3([CH3:18])[C:6]4(=[C:7]15[CH3:17])[CH3:16])[CH3:19])[232Th+4:5]62573489([Cl-])([Cl-])[C-:10]%10([CH3:20])[C:14]7(=[C:11]8([CH3:21])[C:12]9(=[C:13]%106[CH3:23])[CH3:22])[CH3:24]>[CH3][CH2][O][CH2][CH3]>[CH3:20][C-:10]1([C:14]2(=[C:11]3([CH3:21])[C:12]4(=[C:13]15[CH3:23])[CH3:22])[CH3:24])[232Th+4:5]62573489([CH-:1]=[CH2:2])([CH-:3]=[CH2:4])[C-:15]%10([CH3:25])[C:9]7(=[C:8]8([CH3:18])[C:6]9(=[C:7]%106[CH3:17])[CH3:16])[CH3:19]">CAN<104:109842>NUM<0005>SEQ<0001>COMPRN<917577,917577,67506881,60297,99837577>ROLESTAGE<0;917577;2;reactant>STAGE<0;67506881;1;reactant>STAGE<0;60297;1;solvent>STAGE<0;99837577;1;product>| Error messages: WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1265>ISM<"[CH3:3][C:1]([CH3:4])([CH3:5])[C:2]#[N:6].[CH3:9][C:7]([CH3:10])([CH3:11])[C:8]#[N:12]>[H][H].[CH3][C]([CH3])([CH3])[CH2][NH-][45Sc+3]12345678([C-]9([CH3])[C]3(=[C]5([CH3])[C]6(=[C]91[CH3])[CH3])[CH3])[C-]%10([CH3])[C]4(=[C]7([CH3])[C]8(=[C]%102[CH3])[CH3])[CH3].[2HH255][c]1[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]1[2HH255]>[CH3:9][C:7]([CH3:10])([CH3:11])[CH2:8][NH2:12].[CH3:5][C:1]([CH3:4])([CH3:3])[CH2:2][NH:6][C](=[N-][45Sc+3]12345678([C-]9([CH3])[C]3(=[C]5([CH3])[C]6(=[C]91[CH3])[CH3])[CH3])[C-]%10([CH3])[C]4(=[C]7([CH3])[C]8(=[C]%102[CH3])[CH3])[CH3])[C]([CH3])([CH3])[CH3]">CAN<104:109841>NUM<0022>SEQ<0001>COMPRN<630182,630182,1333740,99707127,1076433,5813649,99707138>ROLESTAGE<0;630182;2;reactant>STAGE<0;1333740;1;reagent>STAGE<0;99707127;1;catalyst>STAGE<0;1076433;1;solvent>STAGE<0;5813649;1;product>STAGE<0;99707138;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1266>ISM<"[CH3:15][C-:5]1([C:9]2(=[C:6]3([CH3:16])[C:7]4(=[C:8]15[CH3:18])[CH3:17])[CH3:19])[45Sc+3:1]62573489([CH3-])[C-:4]%10([CH3:14])[C:10]7(=[C:3]8([CH3:13])[C:2]9(=[C:11]%106[CH3:21])[CH3:12])[CH3:20].[CH3:31][O:30][c:29]1[cH:27][cH:25][c:24]([C:22]#[N:23])[cH:26][cH:28]1>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:31][O:30][c:29]1[cH:28][cH:26][c:24]([cH:25][cH:27]1)[C:22]2=[NH:23][45Sc+3:1]3456789%10([NH]=[C]([CH-]2)[c]%11[cH][cH][c]([O][CH3])[cH][cH]%11)([C-:10]%12([CH3:20])[C:11]5(=[C:3]7([CH3:13])[C:2]8(=[C:4]%123[CH3:14])[CH3:12])[CH3:21])[C-:5]%13([CH3:15])[C:9]6(=[C:6]9([CH3:16])[C:7]%10(=[C:8]%134[CH3:18])[CH3:17])[CH3:19]">CAN<104:109841>NUM<0024>SEQ<0001>COMPRN<99707150,874908,108883,99707025>ROLESTAGE<0;874908;1;reactant>STAGE<0;99707150;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99707025;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1267>ISM<"[CH3:10][O:9][c:8]1[cH:6][cH:4][c:3]([C:1]#[N:2])[cH:5][cH:7]1.[CH3][C]([CH3])([CH3])[CH]=[N-][45Sc+3:11]12345678([C-:15]9([CH3:25])[C:18]3(=[C:17]5([CH3:27])[C:16]6(=[C:19]91[CH3:29])[CH3:26])[CH3:28])[C-:14]%10([CH3:24])[C:20]4(=[C:13]7([CH3:23])[C:12]8(=[C:21]%102[CH3:31])[CH3:22])[CH3:30]>[2HH255][c]1[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]1[2HH255]>[CH3:10][O:9][c:8]1[cH:7][cH:5][c:3]([CH:1]=[N-:2][45Sc+3:11]23456789([C-:15]%10([CH3:25])[C:19]4(=[C:16]6([CH3:26])[C:17]7(=[C:18]%102[CH3:28])[CH3:27])[CH3:29])[C-:14]%11([CH3:24])[C:21]5(=[C:12]8([CH3:22])[C:13]9(=[C:20]%113[CH3:30])[CH3:23])[CH3:31])[cH:4][cH:6]1">CAN<104:109841>NUM<0025>SEQ<0001>COMPRN<874908,99707036,1076433,99707047>ROLESTAGE<0;874908;1;reactant>STAGE<0;99707036;1;reactant>STAGE<0;1076433;1;solvent>STAGE<0;99707047;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1268>ISM<"[CH3:15][C:4]([CH3:16])([CH3:17])[CH:2]=[N-:1][45Sc+3:3]12345678([C-:8]9([CH3:21])[C:11]3(=[C:10]5([CH3:23])[C:9]6(=[C:12]91[CH3:25])[CH3:22])[CH3:24])[C-:7]%10([CH3:20])[C:13]4(=[C:6]7([CH3:19])[C:5]8(=[C:14]%102[CH3:27])[CH3:18])[CH3:26]>[H][H].[2HH255][c]1[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]1[2HH255]>[CH3:15][C:4]([CH3:16])([CH3:17])[CH2:2][NH-:1][45Sc+3:3]12345678([C-:8]9([CH3:21])[C:11]3(=[C:10]5([CH3:23])[C:9]6(=[C:12]91[CH3:25])[CH3:22])[CH3:24])[C-:7]%10([CH3:20])[C:13]4(=[C:6]7([CH3:19])[C:5]8(=[C:14]%102[CH3:27])[CH3:18])[CH3:26]">CAN<104:109841>NUM<0501>SEQ<0001>COMPRN<99707036,1333740,1076433,99707127>ROLESTAGE<0;99707036;1;reactant>STAGE<0;1333740;1;reagent>STAGE<0;1076433;1;solvent>STAGE<0;99707127;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1269>ISM<"[CH3:31][O:30][c:29]1[cH:28][cH:16][c:4]([CH:2]=[N-:1][45Sc+3:3]23456789([C-:8]%10([CH3:20])[C:12]4(=[C:9]6([CH3:21])[C:10]7(=[C:11]%102[CH3:23])[CH3:22])[CH3:24])[C-:7]%11([CH3:19])[C:14]5(=[C:5]8([CH3:17])[C:6]9(=[C:13]%113[CH3:25])[CH3:18])[CH3:26])[cH:15][cH:27]1>[H][H].[2HH255][c]1[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]1[2HH255]>[CH3:31][O:30][c:29]1[cH:27][cH:15][c:4]([CH2:2][NH-:1][45Sc+3:3]23456789([C-:8]%10([CH3:20])[C:12]4(=[C:9]6([CH3:21])[C:10]7(=[C:11]%102[CH3:23])[CH3:22])[CH3:24])[C-:7]%11([CH3:19])[C:14]5(=[C:5]8([CH3:17])[C:6]9(=[C:13]%113[CH3:25])[CH3:18])[CH3:26])[cH:16][cH:28]1">CAN<104:109841>NUM<0501>SEQ<0002>COMPRN<99707047,1333740,1076433,99707172>ROLESTAGE<0;99707047;1;reactant>STAGE<0;1333740;1;reagent>STAGE<0;1076433;1;solvent>STAGE<0;99707172;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1270>ISM<"[CH3:15][C:4]([CH3:16])([CH3:17])[CH2:2][NH-:1][45Sc+3:3]12345678([C-:8]9([CH3:21])[C:11]3(=[C:10]5([CH3:23])[C:9]6(=[C:12]91[CH3:25])[CH3:22])[CH3:24])[C-:7]%10([CH3:20])[C:13]4(=[C:6]7([CH3:19])[C:5]8(=[C:14]%102[CH3:27])[CH3:18])[CH3:26]>[2HH255][c]1[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]1[2HH255]>[CH3:15][C:4]([CH3:16])([CH3:17])[CH:2]=[N-:1][45Sc+3:3]12345678([C-:8]9([CH3:21])[C:11]3(=[C:10]5([CH3:23])[C:9]6(=[C:12]91[CH3:25])[CH3:22])[CH3:24])[C-:7]%10([CH3:20])[C:13]4(=[C:6]7([CH3:19])[C:5]8(=[C:14]%102[CH3:27])[CH3:18])[CH3:26]">CAN<104:109841>NUM<0504>SEQ<0001>COMPRN<99707127,1076433,99707036>ROLESTAGE<0;99707127;1;reactant>STAGE<0;1076433;1;solvent>STAGE<0;99707036;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1271>ISM<"[CH3][P]1([CH3])[CH2][CH2][P]([CH3])([CH3])[181Ta+]12([Cl-])([C]#[O])([C]#[O])[P]([CH3])([CH3])[CH2][CH2][P]2([CH3])[CH3]>[24Mg].[Cl][202Hg][Cl].[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[90Zr+4]62573489([Cl-])([Cl-])[C-]%10([CH3])[C]7(=[C]8([CH3])[C]9(=[C]%106[CH3])[CH3])[CH3].[CH2]1[CH2][CH2][O][CH2]1>[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[90Zr]62573489([Cl-])([Cl-])[C-]%10([CH3])[C]7(=[C]8([CH3])[C]9(=[C]%106[CH3])[CH3])[CH3].[CH3][P]1([CH3])[CH2][CH2][P]([CH3])([CH3])[181Ta+5]12([Cl-])([C]#[O])([O]#[C])[P]([CH3])([CH3])[CH2][CH2][P]2([CH3])[CH3]">CAN<104:109840>NUM<0002>SEQ<0001>COMPRN<61916367,7439954,7487947,54039382,109999,99808567,99808567>ROLESTAGE<0;61916367;1;reactant>STAGE<0;7439954;1;reagent>STAGE<0;7487947;1;catalyst>STAGE<0;54039382;1;catalyst>STAGE<0;109999;1;solvent>STAGE<0;99808567;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1272>ISM<"[CH3][P]1([CH3])[CH2][CH2][P]([CH3])([CH3])[181Ta+]12([Cl-])([C]#[O])([C]#[O])[P]([CH3])([CH3])[CH2][CH2][P]2([CH3])[CH3]>[24Mg].[Cl-][48Ti+4]12345678([Cl-])([CH-]9[CH]3=[CH]5[CH]6=[CH]91)[CH-]%10[CH]4=[CH]7[CH]8=[CH]%102.[127I][127I].[CH2]1[CH2][CH2][O][CH2]1>[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[90Zr]62573489([Cl-])([Cl-])[C-]%10([CH3])[C]7(=[C]8([CH3])[C]9(=[C]%106[CH3])[CH3])[CH3].[CH3][P]1([CH3])[CH2][CH2][P]([CH3])([CH3])[181Ta+5]12([Cl-])([C]#[O])([O]#[C])[P]([CH3])([CH3])[CH2][CH2][P]2([CH3])[CH3]">CAN<104:109840>NUM<0002>SEQ<0002>COMPRN<61916367,7439954,1271198,7553562,109999,99808567,99808567>ROLESTAGE<0;61916367;1;reactant>STAGE<0;7439954;1;reagent>STAGE<0;1271198;1;catalyst>STAGE<0;7553562;1;catalyst>STAGE<0;109999;1;solvent>STAGE<0;99808567;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1273>ISM<"[CH3][P]1([CH3])[CH2][CH2][P]([CH3])([CH3])[181Ta+]12([Cl-])([C]#[O])([C]#[O])[P]([CH3])([CH3])[CH2][CH2][P]2([CH3])[CH3]>[24Mg].[Cl][202Hg][Cl].[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[48Ti+4]62573489([Cl-])([Cl-])[C-]%10([CH3])[C]7(=[C]8([CH3])[C]9(=[C]%106[CH3])[CH3])[CH3].[CH2]1[CH2][CH2][O][CH2]1>[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[90Zr]62573489([Cl-])([Cl-])[C-]%10([CH3])[C]7(=[C]8([CH3])[C]9(=[C]%106[CH3])[CH3])[CH3].[CH3][P]1([CH3])[CH2][CH2][P]([CH3])([CH3])[181Ta+5]12([Cl-])([C]#[O])([O]#[C])[P]([CH3])([CH3])[CH2][CH2][P]2([CH3])[CH3]">CAN<104:109840>NUM<0002>SEQ<0003>COMPRN<61916367,7439954,7487947,11136360,109999,99808567,99808567>ROLESTAGE<0;61916367;1;reactant>STAGE<0;7439954;1;reagent>STAGE<0;7487947;1;catalyst>STAGE<0;11136360;1;catalyst>STAGE<0;109999;1;solvent>STAGE<0;99808567;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1274>ISM<"[CH3:2][Si:1]([CH3:3])([CH3:4])[Cl].[CH3:6][Si:5]([CH3:7])([CH3:8])[Cl].[CH3:10][Si:9]([CH3:11])([CH3:12])[Cl].[CH3:14][Si:13]([CH3:15])([CH3:16])[Cl].[CH3:18][Si:17]([CH3:19])([CH3:20])[Cl].[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[90Zr]62573489([Cl-])([Cl-])[C-]%10([CH3])[C]7(=[C]8([CH3])[C]9(=[C]%106[CH3])[CH3])[CH3].[CH3:41][P:30]1([CH3:40])[CH2:42][CH2:33][P:27]([CH3:32])([CH3:31])[181Ta+5:25]12([Cl-:26])([C:24]#[O:22])([O:23]#[C:21])[P:29]([CH3:38])([CH3:37])[CH2:39][CH2:36][P:28]2([CH3:35])[CH3:34].[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[90Zr]62573489([Cl-])([Cl-])[C-]%10([CH3])[C]7(=[C]8([CH3])[C]9(=[C]%106[CH3])[CH3])[CH3].[CH3:62][P:51]1([CH3:61])[CH2:63][CH2:54][P:48]([CH3:53])([CH3:52])[181Ta+5:47]12([Cl-])([C:46]#[O:44])([O:45]#[C:43])[P:50]([CH3:59])([CH3:58])[CH2:60][CH2:57][P:49]2([CH3:56])[CH3:55]>[CH2]1[CH2][CH2][O][CH2]1>[CH3:8][Si:5]([CH3:7])([CH3:6])[O:23][C:21]1#[C:24]([O:22][Si:1]([CH3:4])([CH3:3])[CH3:2])[181Ta+:25]123([Cl-:26])([P:30]([CH3:41])([CH3:40])[CH2:42][CH2:33][P:27]2([CH3:31])[CH3:32])[P:29]([CH3:38])([CH3:37])[CH2:39][CH2:36][P:28]3([CH3:35])[CH3:34].[CH3:16][Si:13]([CH3:15])([CH3:14])[O:45][C:43]1#[C:46]([O:44][Si:17]([CH3:20])([CH3:19])[CH3:18])[181Ta+:47]123([Si-:9]([CH3:10])([CH3:11])[CH3:12])([P:49]([CH3:55])([CH3:56])[CH2:57][CH2:60][P:50]2([CH3:58])[CH3:59])[P:51]([CH3:61])([CH3:62])[CH2:63][CH2:54][P:48]3([CH3:53])[CH3:52]">CAN<104:109840>NUM<0003>SEQ<0001>COMPRN<75774,75774,75774,75774,75774,99808567,99808567,99808567,99808567,109999,99797930,99797941>ROLESTAGE<0;75774;5;reactant>STAGE<0;99808567;2;reactant>STAGE<0;109999;1;solvent>STAGE<0;99797930;1;product>STAGE<0;99797941;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1275>ISM<"[CH3][CH2][O]([CH2][CH3])[161Yb+2]12345678([C-]9([CH3])[C]3(=[C]5([CH3])[C]6(=[C]91[CH3])[CH3])[CH3])[C-]%10([CH3])[C]4(=[C]7([CH3])[C]8(=[C]%102[CH3])[CH3])[CH3].[Cl][CH2][c]1[cH][cH][cH][cH][cH]1>[2HH255][c]1[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]1[2HH255]>[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[161Yb+3]62573489([Cl-])[C-]%10([CH3])[C]7(=[C]8([CH3])[C]9(=[C]%106[CH3])[CH3])[CH3].[CH3][C-]1([C]2(=[C]3([CH3])[C]4(=[C]15[CH3])[CH3])[CH3])[161Yb+3]2534([Cl-])[Cl-].[CH3][C]1=[C]([CH3])[C]([CH3])([CH2][c]2[cH][cH][cH][cH][cH]2)[C](=[C]1[CH3])[CH3].[CH2]([CH2][c]1[cH][cH][cH][cH][cH]1)[c]2[cH][cH][cH][cH][cH]2">CAN<104:109839>NUM<0001>SEQ<0001>COMPRN<74282476,100447,1076433,75750866,99642758,100692306,103297>ROLESTAGE<0;100447;1;reactant>STAGE<0;74282476;1;reactant>STAGE<0;1076433;1;solvent>STAGE<0;103297;1;product>STAGE<0;75750866;1;product>STAGE<0;99642758;1;product>STAGE<0;100692306;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1276>ISM<"[Cl:2][CH2:1][c:3]1[cH:4][cH:6][cH:8][cH:7][cH:5]1.[CH3][CH2][O]([CH2][CH3])[161Yb+3:9]12345678([Cl-:10])([C-:13]9([CH3:23])[C:19]3(=[C:12]5([CH3:22])[C:11]6(=[C:20]91[CH3:30])[CH3:21])[CH3:29])[C-:14]%10([CH3:24])[C:18]4(=[C:15]7([CH3:25])[C:16]8(=[C:17]%102[CH3:27])[CH3:26])[CH3:28]>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:29][C-:19]1([C:13]2(=[C:20]3([CH3:30])[C:11]4(=[C:12]15[CH3:22])[CH3:21])[CH3:23])[161Yb+3:9]2534([Cl-:10])[Cl-:2].[CH3:24][C:14]1=[C:18]([CH3:28])[C:15]([CH3:25])([CH2:1][c:3]2[cH:4][cH:6][cH:8][cH:7][cH:5]2)[C:16](=[C:17]1[CH3:27])[CH3:26]">CAN<104:109839>NUM<0004>SEQ<0001>COMPRN<100447,99642769,108883,99642758,100692306>ROLESTAGE<0;100447;1;reactant>STAGE<0;99642769;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99642758;1;product>STAGE<0;100692306;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1280>ISM<"[CH4].[CH3:26][C:24]1([CH3:25])[CH2-:14][232Th+4:3]23456789([CH2-:13]1)([C-:7]%10([CH3:18])[C:11]4(=[C:8]6([CH3:19])[C:9]7(=[C:10]%102[CH3:21])[CH3:20])[CH3:22])[C-:6]%11([CH3:17])[C:12]5(=[C:4]8([CH3:15])[C:2]9(=[C:5]%113[CH3:16])[CH3:1])[CH3:23]>[2HH255][C]1([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]1([2HH255])[2HH255]>[CH3][C:24]([CH3:25])([CH3:26])[CH2-:14][232Th+4:3]12345678([CH3-:13])([C-:6]9([CH3:17])[C:12]3(=[C:4]5([CH3:15])[C:2]6(=[C:5]91[CH3:16])[CH3:1])[CH3:23])[C-:7]%10([CH3:18])[C:11]4(=[C:8]7([CH3:19])[C:9]8(=[C:10]%102[CH3:21])[CH3:20])[CH3:22]">CAN<104:109837>NUM<0002>SEQ<0002>COMPRN<74828,83692528,1735177,94138257>ROLESTAGE<0;74828;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;1735177;1;solvent>STAGE<0;94138257;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1281>ISM<"[CH4].[CH3:26][C:24]1([CH3:25])[CH2-:14][232Th+4:3]23456789([CH2-:13]1)([C-:7]%10([CH3:18])[C:11]4(=[C:8]6([CH3:19])[C:9]7(=[C:10]%102[CH3:21])[CH3:20])[CH3:22])[C-:6]%11([CH3:17])[C:12]5(=[C:4]8([CH3:15])[C:2]9(=[C:5]%113[CH3:16])[CH3:1])[CH3:23]>[CH2]1[CH2][CH2][CH2][CH2][CH2]1>[CH3][C:24]([CH3:25])([CH3:26])[CH2-:14][232Th+4:3]12345678([CH3-:13])([C-:6]9([CH3:17])[C:12]3(=[C:4]5([CH3:15])[C:2]6(=[C:5]91[CH3:16])[CH3:1])[CH3:23])[C-:7]%10([CH3:18])[C:11]4(=[C:8]7([CH3:19])[C:9]8(=[C:10]%102[CH3:21])[CH3:20])[CH3:22]">CAN<104:109837>NUM<0002>SEQ<0003>COMPRN<74828,83692528,110827,94138257>ROLESTAGE<0;74828;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;110827;1;solvent>STAGE<0;94138257;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1283>ISM<"[CH2:1]1[CH2:2][CH2:3]1.[CH3:27][C:26]1([CH3])[CH2-:16][232Th+4:6]23456789([CH2-]1)([C-:10]%10([CH3:20])[C:14]4(=[C:11]6([CH3:21])[C:12]7(=[C:13]%102[CH3:23])[CH3:22])[CH3:24])[C-:9]%11([CH3:19])[C:15]5(=[C:7]8([CH3:17])[C:5]9(=[C:8]%113[CH3:18])[CH3:4])[CH3:25]>[2HH255][C]1([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]1([2HH255])[2HH255]>[CH3:19][C-:9]1([C:15]2(=[C:7]3([CH3:17])[C:5]4(=[C:8]15[CH3:18])[CH3:4])[CH3:25])[232Th+4:6]62573489([CH-:1]%10[CH2:3][CH2:2]%10)([CH-:16]%11[CH2:26][CH2:27]%11)[C-:10]%12([CH3:20])[C:14]7(=[C:11]8([CH3:21])[C:12]9(=[C:13]%126[CH3:23])[CH3:22])[CH3:24]">CAN<104:109837>NUM<0007>SEQ<0002>COMPRN<75194,83692528,1735177,99477039>ROLESTAGE<0;75194;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;1735177;1;solvent>STAGE<0;99477039;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1284>ISM<"[CH3:2][Si:1]([CH3:3])([CH3:4])[CH3:5].[CH3:31][C:29]1([CH3:30])[CH2-:19][232Th+4:8]23456789([CH2-:18]1)([C-:12]%10([CH3:23])[C:16]4(=[C:13]6([CH3:24])[C:14]7(=[C:15]%102[CH3:26])[CH3:25])[CH3:27])[C-:11]%11([CH3:22])[C:17]5(=[C:9]8([CH3:20])[C:7]9(=[C:10]%113[CH3:21])[CH3:6])[CH3:28]>[2HH255][C]1([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]1([2HH255])[2HH255]>[CH3:18][C:29]([CH3:30])([CH3:31])[CH2-:19][232Th+4:8]12345678([CH2-:2][Si:1]([CH3:4])([CH3:3])[CH3:5])([C-:11]9([CH3:22])[C:17]3(=[C:9]5([CH3:20])[C:7]6(=[C:10]91[CH3:21])[CH3:6])[CH3:28])[C-:12]%10([CH3:23])[C:15]4(=[C:14]7([CH3:25])[C:13]8(=[C:16]%102[CH3:27])[CH3:24])[CH3:26]">CAN<104:109837>NUM<0011>SEQ<0001>COMPRN<75763,83692528,1735177,99458658>ROLESTAGE<0;75763;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;1735177;1;solvent>STAGE<0;99458658;1;product>NOTES<"kinetics were determined">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1285>ISM<"[CH3:2][Si:1]([CH3:3])([CH3:4])[CH3:5].[CH3:31][C:29]1([CH3:30])[CH2-:19][232Th+4:8]23456789([CH2-:18]1)([C-:12]%10([CH3:23])[C:16]4(=[C:13]6([CH3:24])[C:14]7(=[C:15]%102[CH3:26])[CH3:25])[CH3:27])[C-:11]%11([CH3:22])[C:17]5(=[C:9]8([CH3:20])[C:7]9(=[C:10]%113[CH3:21])[CH3:6])[CH3:28]>[CH2]1[CH2][CH2][CH2][CH2][CH2]1>[CH3:18][C:29]([CH3:30])([CH3:31])[CH2-:19][232Th+4:8]12345678([CH2-:2][Si:1]([CH3:4])([CH3:3])[CH3:5])([C-:11]9([CH3:22])[C:17]3(=[C:9]5([CH3:20])[C:7]6(=[C:10]91[CH3:21])[CH3:6])[CH3:28])[C-:12]%10([CH3:23])[C:15]4(=[C:14]7([CH3:25])[C:13]8(=[C:16]%102[CH3:27])[CH3:24])[CH3:26]">CAN<104:109837>NUM<0011>SEQ<0002>COMPRN<75763,83692528,110827,99458658>ROLESTAGE<0;75763;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;110827;1;solvent>STAGE<0;99458658;1;product>NOTES<"kinetics were determined">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1286>ISM<"[CH3:2][120Sn:1]([CH3:3])([CH3:4])[CH3:5].[CH3:31][C:29]1([CH3:30])[CH2-:19][232Th+4:8]23456789([CH2-:18]1)([C-:12]%10([CH3:23])[C:16]4(=[C:13]6([CH3:24])[C:14]7(=[C:15]%102[CH3:26])[CH3:25])[CH3:27])[C-:11]%11([CH3:22])[C:17]5(=[C:9]8([CH3:20])[C:7]9(=[C:10]%113[CH3:21])[CH3:6])[CH3:28]>[2HH255][C]1([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]1([2HH255])[2HH255]>[CH3:18][C:29]([CH3:30])([CH3:31])[CH2-:19][232Th+4:8]12345678([CH2-:2][120Sn:1]([CH3:4])([CH3:3])[CH3:5])([C-:11]9([CH3:22])[C:17]3(=[C:9]5([CH3:20])[C:7]6(=[C:10]91[CH3:21])[CH3:6])[CH3:28])[C-:12]%10([CH3:23])[C:15]4(=[C:14]7([CH3:25])[C:13]8(=[C:16]%102[CH3:27])[CH3:24])[CH3:26]">CAN<104:109837>NUM<0013>SEQ<0001>COMPRN<594274,83692528,1735177,99477040>ROLESTAGE<0;594274;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;1735177;1;solvent>STAGE<0;99477040;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1287>ISM<"[CH3:2][120Sn:1]([CH3:3])([CH3:4])[CH3:5].[CH3:31][C:29]1([CH3:30])[CH2-:19][232Th+4:8]23456789([CH2-:18]1)([C-:12]%10([CH3:23])[C:16]4(=[C:13]6([CH3:24])[C:14]7(=[C:15]%102[CH3:26])[CH3:25])[CH3:27])[C-:11]%11([CH3:22])[C:17]5(=[C:9]8([CH3:20])[C:7]9(=[C:10]%113[CH3:21])[CH3:6])[CH3:28]>[2HH255][C]1([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]1([2HH255])[2HH255]>[CH3:18][C:29]([CH3:30])([CH3:31])[CH2-:19][232Th+4:8]12345678([CH2-:2][120Sn:1]([CH3:4])([CH3:3])[CH3:5])([C-:11]9([CH3:22])[C:17]3(=[C:9]5([CH3:20])[C:7]6(=[C:10]91[CH3:21])[CH3:6])[CH3:28])[C-:12]%10([CH3:23])[C:15]4(=[C:14]7([CH3:25])[C:13]8(=[C:16]%102[CH3:27])[CH3:24])[CH3:26]">CAN<104:109837>NUM<0013>SEQ<0002>COMPRN<594274,83692528,1735177,99477040>ROLESTAGE<0;594274;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;1735177;1;solvent>STAGE<0;99477040;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1288>ISM<"[CH3][C]([CH3])([CH3])[CH2-:1][232Th+4:2]12345678([CH2-:3][120Sn:14]([CH3:25])([CH3])[CH3:26])([C-:12]9([CH3:23])[C:13]3(=[C:5]5([CH3:16])[C:4]6(=[C:6]91[CH3:17])[CH3:15])[CH3:24])[C-:7]%10([CH3:18])[C:10]4(=[C:9]7([CH3:20])[C:8]8(=[C:11]%102[CH3:22])[CH3:19])[CH3:21]>[2HH255][C]1([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]1([2HH255])[2HH255]>[CH3:18][C-:7]1([C:11]2(=[C:8]3([CH3:19])[C:9]4(=[C:10]15[CH3:21])[CH3:20])[CH3:22])[232Th+4:2]67258349%10([CH2-:3][120Sn:14]([CH3:25])([CH3:26])[CH2-:1]6)[C-:12]%11([CH3:23])[C:13]8(=[C:5]9([CH3:16])[C:4]%10(=[C:6]%117[CH3:17])[CH3:15])[CH3:24]">CAN<104:109837>NUM<0014>SEQ<0001>COMPRN<99477040,1735177,99477051>ROLESTAGE<0;99477040;1;reactant>STAGE<0;1735177;1;solvent>STAGE<0;99477051;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1289>ISM<"[7Li][CH2][P:1]([CH3:2])[CH3:3].[CH3][C]([CH3])([CH3])[CH2-:4][232Th+4:5]12345678([Cl-])([C-:14]9([CH3:24])[C:15]3(=[C:7]5([CH3:17])[C:6]6(=[C:8]91[CH3:18])[CH3:16])[CH3:25])[C-:10]%10([CH3:20])[C:13]4(=[C:9]7([CH3:19])[C:12]8(=[C:11]%102[CH3:21])[CH3:22])[CH3:23]>[CH3][CH2][O][CH2][CH3]>[CH3:3][P:1]1[CH2-:2][232Th+4:5]23456789([CH2-:4]1)([C-:10]%10([CH3:20])[C:13]4(=[C:9]6([CH3:19])[C:12]7(=[C:11]%102[CH3:21])[CH3:22])[CH3:23])[C-:14]%11([CH3:24])[C:15]5(=[C:7]8([CH3:17])[C:6]9(=[C:8]%113[CH3:18])[CH3:16])[CH3:25]">CAN<104:109837>NUM<0016>SEQ<0001>COMPRN<64065061,74587396,60297,99477062>ROLESTAGE<0;64065061;1;reactant>STAGE<0;74587396;1;reactant>STAGE<0;60297;1;solvent>STAGE<0;99477062;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1290>ISM<"[CH3:2][P:1]([CH3:3])[CH3:4].[CH3][C]1([CH3])[CH2-][232Th+4:7]23456789([CH2-]1)([C-:11]%10([CH3:20])[C:15]4(=[C:12]6([CH3:21])[C:13]7(=[C:14]%102[CH3:23])[CH3:22])[CH3:24])[C-:10]%11([CH3:19])[C:16]5(=[C:8]8([CH3:17])[C:6]9(=[C:9]%113[CH3:18])[CH3:5])[CH3:25]>[2HH255][C]1([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]1([2HH255])[2HH255]>[CH3:4][P:1]1[CH2-:2][232Th+4:7]23456789([CH2-:3]1)([C-:11]%10([CH3:20])[C:15]4(=[C:12]6([CH3:21])[C:13]7(=[C:14]%102[CH3:23])[CH3:22])[CH3:24])[C-:10]%11([CH3:19])[C:16]5(=[C:8]8([CH3:17])[C:6]9(=[C:9]%113[CH3:18])[CH3:5])[CH3:25]">CAN<104:109837>NUM<0016>SEQ<0002>COMPRN<594092,83692528,1735177,99477062>ROLESTAGE<0;594092;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;1735177;1;solvent>STAGE<0;99477062;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1291>ISM<"[7Li][CH2:2][P:1]([CH3:3])[CH3:4].[7Li][CH2:6][P:5]([CH3:7])[CH3:8].[CH3:29][C-:19]1([C:13]2(=[C:12]3([CH3:22])[C:10]4(=[C:11]15[CH3:21])[CH3:20])[CH3:23])[232Th+4:9]62573489([Cl-])([Cl-])[C-:14]%10([CH3:24])[C:18]7(=[C:15]8([CH3:25])[C:16]9(=[C:17]%106[CH3:27])[CH3:26])[CH3:28]>[CH3][CH2][O][CH2][CH3]>[CH3:8][P:5]([CH3:7])[CH2-:6][232Th+4:9]12345678([CH2-:2][P:1]([CH3:3])[CH3:4])([C-:14]9([CH3:24])[C:18]3(=[C:15]5([CH3:25])[C:16]6(=[C:17]91[CH3:27])[CH3:26])[CH3:28])[C-:19]%10([CH3:29])[C:13]4(=[C:12]7([CH3:22])[C:10]8(=[C:11]%102[CH3:21])[CH3:20])[CH3:23]">CAN<104:109837>NUM<0018>SEQ<0001>COMPRN<64065061,64065061,67506881,60297,99477073>ROLESTAGE<0;64065061;2;reactant>STAGE<0;67506881;1;reactant>STAGE<0;60297;1;solvent>STAGE<0;99477073;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1292>ISM<"[CH3:2][CH:1]=[CH2:3].[CH3:29][C:27]1([CH3:28])[CH2-:17][232Th+4:6]23456789([CH2-:16]1)([C-:10]%10([CH3:21])[C:14]4(=[C:11]6([CH3:22])[C:12]7(=[C:13]%102[CH3:24])[CH3:23])[CH3:25])[C-:9]%11([CH3:20])[C:15]5(=[C:7]8([CH3:18])[C:5]9(=[C:8]%113[CH3:19])[CH3:4])[CH3:26]>[2HH255][C]1([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]1([2HH255])[2HH255]>[CH3:2][CH:1]1[CH2:28][C:27]([CH3:29])([CH3:3])[CH2-:17][232Th+4:6]23456789([CH2-:16]1)([C-:10]%10([CH3:21])[C:13]4(=[C:12]6([CH3:23])[C:11]7(=[C:14]%102[CH3:25])[CH3:22])[CH3:24])[C-:9]%11([CH3:20])[C:15]5(=[C:7]8([CH3:18])[C:5]9(=[C:8]%113[CH3:19])[CH3:4])[CH3:26]">CAN<104:109837>NUM<0020>SEQ<0001>COMPRN<115071,83692528,1735177,99494812>ROLESTAGE<0;115071;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;1735177;1;solvent>STAGE<0;99494812;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1293>ISM<"[CH3:2][CH:1]=[CH2:3].[CH3:29][C:27]1([CH3:28])[CH2-:17][232Th+4:6]23456789([CH2-:16]1)([C-:10]%10([CH3:21])[C:14]4(=[C:11]6([CH3:22])[C:12]7(=[C:13]%102[CH3:24])[CH3:23])[CH3:25])[C-:9]%11([CH3:20])[C:15]5(=[C:7]8([CH3:18])[C:5]9(=[C:8]%113[CH3:19])[CH3:4])[CH3:26]>[CH2]1[CH2][CH2][CH2][CH2][CH2]1>[CH3:2][CH:1]1[CH2:28][C:27]([CH3:29])([CH3:3])[CH2-:17][232Th+4:6]23456789([CH2-:16]1)([C-:10]%10([CH3:21])[C:13]4(=[C:12]6([CH3:23])[C:11]7(=[C:14]%102[CH3:25])[CH3:22])[CH3:24])[C-:9]%11([CH3:20])[C:15]5(=[C:7]8([CH3:18])[C:5]9(=[C:8]%113[CH3:19])[CH3:4])[CH3:26]">CAN<104:109837>NUM<0020>SEQ<0002>COMPRN<115071,83692528,110827,99494812>ROLESTAGE<0;115071;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;110827;1;solvent>STAGE<0;99494812;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1295>ISM<"[CH2:1]=[CH2:2].[CH3:28][C:26]1([CH3:27])[CH2-:16][232Th+4:5]23456789([CH2-:15]1)([C-:9]%10([CH3:20])[C:13]4(=[C:10]6([CH3:21])[C:11]7(=[C:12]%102[CH3:23])[CH3:22])[CH3:24])[C-:8]%11([CH3:19])[C:14]5(=[C:6]8([CH3:17])[C:4]9(=[C:7]%113[CH3:18])[CH3:3])[CH3:25]>[2HH255][C]1([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]1([2HH255])[2HH255]>[CH3:28][C:26]1([CH3:27])[CH2:16][CH2:2][CH2-:1][232Th+4:5]23456789([CH2-:15]1)([C-:9]%10([CH3:20])[C:13]4(=[C:10]6([CH3:21])[C:11]7(=[C:12]%102[CH3:23])[CH3:22])[CH3:24])[C-:8]%11([CH3:19])[C:14]5(=[C:6]8([CH3:17])[C:4]9(=[C:7]%113[CH3:18])[CH3:3])[CH3:25]">CAN<104:109837>NUM<0024>SEQ<0001>COMPRN<74851,83692528,1735177,99477095>ROLESTAGE<0;74851;1;reactant>STAGE<0;83692528;1;reactant>STAGE<0;1735177;1;solvent>STAGE<0;99477095;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1296>ISM<"[CH3:25][P:13]([CH3:24])[CH2-:2][232Th+4:1]12345678([CH2-][P]([CH3])[CH3])([C-:6]9([CH3:17])[C:10]3(=[C:7]5([CH3:18])[C:8]6(=[C:9]91[CH3:20])[CH3:19])[CH3:21])[C-:11]%10([CH3:22])[C:12]4(=[C:4]7([CH3:15])[C:3]8(=[C:5]%102[CH3:16])[CH3:14])[CH3:23]>[2HH255][C]1([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]([2HH255])([2HH255])[C]1([2HH255])[2HH255]>[CH3:25][P:13]1[CH2-:2][232Th+4:1]23456789([CH2-:24]1)([C-:6]%10([CH3:17])[C:10]4(=[C:7]6([CH3:18])[C:8]7(=[C:9]%102[CH3:20])[CH3:19])[CH3:21])[C-:11]%11([CH3:22])[C:12]5(=[C:4]8([CH3:15])[C:3]9(=[C:5]%113[CH3:16])[CH3:14])[CH3:23]">CAN<104:109837>NUM<0504>SEQ<0001>COMPRN<99477073,1735177,99477062>ROLESTAGE<0;99477073;1;reactant>STAGE<0;1735177;1;solvent>STAGE<0;99477062;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1297>ISM<"[CH3:2][P:1]([CH3:3])[CH3:4].[C-:5]#[O+:6].[CH3:25][C:22]([CH3:24])([CH3:23])[CH2:21][C-:19](=[O:20])[232Th+4:8]12345678([Cl-:7])([CH-:11]9[CH:18]3=[CH:9]5[CH:10]6=[CH:17]91)[CH-:12]%10[CH:15]4=[CH:14]7[CH:13]8=[CH:16]%102>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:25][C:22]([CH3:24])([CH3:23])[CH2:21][C:19](=[O:20][232Th+4:8]12345678([Cl-:7])([CH-:11]9[CH:17]3=[CH:10]5[CH:9]6=[CH:18]91)[CH-:12]%10[CH:16]4=[CH:13]7[CH:14]8=[CH:15]%102)[C:5](=[P:1]([CH3:4])([CH3:3])[CH3:2])[O-:6]">CAN<104:109836>NUM<0001>SEQ<0001>COMPRN<594092,630080,99112546,108883,99112579>ROLESTAGE<0;594092;1;reactant>STAGE<0;630080;1;reactant>STAGE<0;99112546;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99112579;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1309>ISM<"[CH3:6][c:4]1[cH:7][cH:10][cH:9][c:5]([CH3:8])[c:3]1[N+:1]#[C-:2].[CH3:37][c:34]1[cH:38][cH:39][cH:36][c:33]([CH3:35])[c:29]1[N:27]=[C:14]=[C:12]([CH2:15][C:28]([CH3:32])([CH3:31])[CH3:30])[O-:11][232Th+4:13]23456789([Cl-:16])([CH-:20]%10[CH:23]4=[CH:22]6[CH:21]7=[CH:24]%102)[CH-:19]%11[CH:26]5=[CH:17]8[CH:18]9=[CH:25]%113>[2HH255][c]1[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]([2HH255])[c]1[2HH255]>[CH3:37][c:34]1[cH:38][cH:39][cH:36][c:33]([CH3:35])[c:29]1[N:27]=[C:14]=[C:12]([CH2:15][C:28]([CH3:32])([CH3:31])[CH3:30])[O-:11][232Th+4:13]2345678([Cl-:16])([C-:2]#[N+:1][c:3]9[c:5]([CH3:8])[cH:9][cH:10][cH:7][c:4]9[CH3:6])([CH-:20]%10[CH:23]4=[CH:22]5[CH:21]6=[CH:24]%102)[CH-:19]%11[CH:26]=[CH:17]8[CH:18]7=[CH:25]%113">CAN<104:109836>NUM<0021>SEQ<0002>COMPRN<2769713,99112580,1076433,99112615>ROLESTAGE<0;2769713;1;reactant>STAGE<0;99112580;1;reactant>STAGE<0;1076433;1;solvent>STAGE<0;99112615;1;product>| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1310>ISM<"[CH3][c]1[cH][cH][cH][c]([CH3])[c]1[N]=[C]=[C]([CH2][C]([CH3])([CH3])[CH3])[O-][232Th+4]2345678([Cl-])([C-]#[N+][c]9[c]([CH3])[cH][cH][cH][c]9[CH3])([CH-]%10[CH]4=[CH]5[CH]6=[CH]%102)[CH-]%11[CH]=[CH]8[CH]7=[CH]%113>[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3][C]1=[CH][CH]=[CH][C]2([CH3])[C](=[N][c]3[c]([CH3])[cH][cH][cH][c]3[CH3])[C](=[C]([O-])[CH2][C]([CH3])([CH3])[CH3])[N](=[C]12)[232Th+4]456789%10%11([Cl-])([CH-]%12[CH]6=[CH]8[CH]9=[CH]%124)[CH-]%13[CH]7=[CH]%10[CH]%11=[CH]%135">CAN<104:109836>NUM<0022>SEQ<0001>COMPRN<99112615,108883,99112626>ROLESTAGE<0;99112615;1;reactant>STAGE<0;108883;1;solvent>STAGE<0;99112626;1;product>NOTES<"THERMAL">| Error messages: WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) WARNING: Atom has high valence 256 (normal 1) (dy_rmbord) Warning converting TDT: $RXNID<1318>ISM<"[CH2-:13]1[c:15]2[cH:19][cH:23][cH:25][cH:22][c:18]2[c:16]3[cH:20][cH:24][cH:21][cH:17][c:14]3[CH2-:12][93Nb+4:1]1456789%10%11([CH-:6]%12[CH:9]6=[CH:8]8[CH:7]9=[CH:10]%124)[CH-:5]%13[CH:11]7=[CH:3]%10[CH:2]%11=[CH:4]%135>[107AgH+].[F-][BH2+3]([F-])([F-])[F-].[CH2]1[CH2][CH2][O][CH2]1>[F-][BH2+3]([F-])([F-])[F-].[CH2-:13]1[c:15]2[cH:19][cH:23][cH:25][cH:22][c:18]2[c:16]3[cH:20][cH:24][cH:21][cH:17][c:14]3[CH2-:12][93Nb+5:1]1456789%10%11([CH-:6]%12[CH:9]6=[CH:8]8[CH:7]9=[CH:10]%124)[CH-:5]%13[CH:11]7=[CH:3]%10[CH:2]%11=[CH:4]%135">CAN<104:109835>NUM<0003>SEQ<0001>COMPRN<87198263,14104202,14104202,109999,14874705,87198285>ROLESTAGE<0;87198263;1;reactant>STAGE<0;14104202;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;87198296;1;product>MCOMPRN<87198296;14874705;1>MCOMPRN<87198296;87198285;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1319>ISM<"[LiH+].[cH:3]1[cH:4][cH:2][c]2[cH][cH][cH][cH][c]2[cH:1]1.[CH2:5]1[CH2:6][O][CH2][CH2][O][CH2][CH2][O][CH2][CH2][O][CH2][CH2][O][CH2:9][CH2:8][O:7]1.[CH2-:22]1[c:24]2[cH:28][cH:32][cH:34][cH:31][c:27]2[c:25]3[cH:29][cH:33][cH:30][cH:26][c:23]3[CH2-:21][93Nb+4:10]1456789%10%11([CH-:15]%12[CH:18]6=[CH:17]8[CH:16]9=[CH:19]%124)[CH-:14]%13[CH:20]7=[CH:12]%10[CH:11]%11=[CH:13]%135>[CH2]1[CH2][CH2][O][CH2]1>[CH2:4]1[CH2:3][CH2:1][O]([CH2:2]1)[Li+]23456([O:7]7[CH2:8][CH2:9][CH2:6][CH2:5]7)[O]8[CH2][CH2][O]3[CH2][CH2][O]4[CH2][CH2][O]6[CH2][CH2][O]5[CH2][CH2][O]2[CH2][CH2]8.[CH2-:22]1[c:24]2[cH:28][cH:32][cH:34][cH:31][c:27]2[c:25]3[cH:29][cH:33][cH:30][cH:26][c:23]3[CH2-:21][93Nb+3:10]1456789%10%11([CH-:15]%12[CH:18]6=[CH:17]8[CH:16]9=[CH:19]%124)[CH-:14]%13[CH:20]7=[CH:12]%10[CH:11]%11=[CH:13]%135">CAN<104:109835>NUM<0003>SEQ<0002>COMPRN<3481127,3481127,17455139,87198263,109999,71888487,87198274>ROLESTAGE<0;3481127;1;reactant>STAGE<0;17455139;1;reactant>STAGE<0;87198263;1;reactant>STAGE<0;109999;1;solvent>STAGE<0;87247867;1;product>MCOMPRN<87247867;71888487;1>MCOMPRN<87247867;87198274;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1320>ISM<"[C-:1]#[O+:2].[CH2-:15]1[c:17]2[cH:21][cH:25][cH:27][cH:24][c:20]2[c:18]3[cH:22][cH:26][cH:23][cH:19][c:16]3[CH2-:14][93Nb+4:3]1456789%10%11([CH-:8]%12[CH:11]6=[CH:10]8[CH:9]9=[CH:12]%124)[CH-:7]%13[CH:13]7=[CH:5]%10[CH:4]%11=[CH:6]%135>[Li].[202Hg].[OH][CH2][C]([F])([F])[F].[CH2]1[CH2][CH2][O][CH2]1.[CH2]1[CH2][CH2][O][CH2]1>[CH3:14][c:16]1[cH:19][cH:23][cH:26][cH:22][c:18]1[c:20]2[cH:24][cH:27][cH:25][cH:21][c:17]2[CH2-:15][93Nb+3:3]3456789%10([C:1]#[O:2])([CH-:7]%11[CH:6]5=[CH:4]7[CH:5]8=[CH:13]%113)[CH-:8]%12[CH:11]6=[CH:10]9[CH:9]%10=[CH:12]%124">CAN<104:109835>NUM<0003>SEQ<0003>COMPRN<630080,87198263,7440235,7439976,75898,109999,109999,100581644>ROLESTAGE<1;87198263;1;reactant>STAGE<2;630080;1;reactant>STAGE<2;75898;1;reagent>STAGE<1;11110524;1;reagent>STAGE<1;109999;1;solvent>STAGE<2;109999;1;solvent>STAGE<2;100581644;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1321>ISM<"[LiH+].[cH]1[cH][cH][c]2[cH][cH][cH][cH][c]2[cH]1.[CH2-]1[c]2[cH][cH][cH][cH][c]2[c]3[cH][cH][cH][cH][c]3[CH2-][93Nb+4]1456789%10%11([CH-]%12[CH]6=[CH]8[CH]9=[CH]%124)[CH-]%13[CH]7=[CH]%10[CH]%11=[CH]%135>[CH3][O][CH3].[CH2]1[CH2][CH2][O][CH2]1>[F-][BH2+3]([F-])([F-])[F-].[CH2-]1[c]2[cH][cH][cH][cH][c]2[c]3[cH][cH][cH][cH][c]3[CH2-][93Nb+5]1456789%10%11([CH-]%12[CH]6=[CH]8[CH]9=[CH]%124)[CH-]%13[CH]7=[CH]%10[CH]%11=[CH]%135">CAN<104:109835>NUM<0003>SEQ<0004>COMPRN<3481127,3481127,87198263,67969839,109999,14874705,87198285>ROLESTAGE<1;3481127;1;reactant>STAGE<1;87198263;1;reactant>STAGE<2;67969839;1;reagent>STAGE<1;109999;1;solvent>STAGE<2;87198296;1;product>MCOMPRN<87198296;14874705;1>MCOMPRN<87198296;87198285;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1322>ISM<"[LiH+].[cH]1[cH][cH][c]2[cH][cH][cH][cH][c]2[cH]1.[CH2-]1[c]2[cH][cH][cH][cH][c]2[c]3[cH][cH][cH][cH][c]3[CH2-][93Nb+4]1456789%10%11([CH-]%12[CH]6=[CH]8[CH]9=[CH]%124)[CH-]%13[CH]7=[CH]%10[CH]%11=[CH]%135>[F-][BH2+3]([F-])([F-])[F-].[cH]1[cH][cH][c]([cH][cH]1)[CH2+]([c]2[cH][cH][cH][cH][cH]2)[c]3[cH][cH][cH][cH][cH]3.[CH2]1[CH2][CH2][O][CH2]1>[F-][BH2+3]([F-])([F-])[F-].[CH2-]1[c]2[cH][cH][cH][cH][c]2[c]3[cH][cH][cH][cH][c]3[CH2-][93Nb+5]1456789%10%11([CH-]%12[CH]6=[CH]8[CH]9=[CH]%124)[CH-]%13[CH]7=[CH]%10[CH]%11=[CH]%135">CAN<104:109835>NUM<0003>SEQ<0005>COMPRN<3481127,3481127,87198263,14874705,13948088,109999,14874705,87198285>ROLESTAGE<1;3481127;1;reactant>STAGE<1;87198263;1;reactant>STAGE<2;341026;1;reagent>STAGE<1;109999;1;solvent>STAGE<2;87198296;1;product>MCOMPRN<87198296;14874705;1>MCOMPRN<87198296;87198285;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1323>ISM<"[CH2-:13]1[c:15]2[cH:19][cH:23][cH:25][cH:22][c:18]2[c:16]3[cH:20][cH:24][cH:21][cH:17][c:14]3[CH2-:12][181Ta+4:1]1456789%10%11([CH-:6]%12[CH:9]6=[CH:8]8[CH:7]9=[CH:10]%124)[CH-:5]%13[CH:3]7=[CH:2]%10[CH:11]%11=[CH:4]%135>[107AgH+].[F-][BH2+3]([F-])([F-])[F-].[CH2]1[CH2][CH2][O][CH2]1>[F-][BH2+3]([F-])([F-])[F-].[CH2-:13]1[c:15]2[cH:19][cH:23][cH:25][cH:22][c:18]2[c:16]3[cH:20][cH:24][cH:21][cH:17][c:14]3[CH2-:12][181Ta+5:1]1456789%10%11([CH-:6]%12[CH:9]6=[CH:8]8[CH:7]9=[CH:10]%124)[CH-:5]%13[CH:3]7=[CH:2]%10[CH:11]%11=[CH:4]%135">CAN<104:109835>NUM<0006>SEQ<0001>COMPRN<100581826,14104202,14104202,109999,14874705,100581622>ROLESTAGE<0;100581826;1;reactant>STAGE<0;14104202;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100581633;1;product>MCOMPRN<100581633;14874705;1>MCOMPRN<100581633;100581622;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1324>ISM<"[Cl][CH2:1][c:2]1[cH:4][cH:7][cH:8][cH:5][c:3]1[c:6]2[cH:10][cH:13][cH:14][cH:12][c:9]2[CH2:11][Cl].[Cl-][181Ta+4:15]12345678([Cl-])([CH-:20]9[CH:21]3=[CH:22]5[CH:19]6=[CH:23]91)[CH-:24]%10[CH:18]4=[CH:16]7[CH:17]8=[CH:25]%102>[24Mg].[CH2]1[CH2][CH2][O][CH2]1>[CH2-:11]1[c:9]2[cH:12][cH:14][cH:13][cH:10][c:6]2[c:3]3[cH:5][cH:8][cH:7][cH:4][c:2]3[CH2-:1][181Ta+4:15]1456789%10%11([CH-:20]%12[CH:21]6=[CH:22]8[CH:19]9=[CH:23]%124)[CH-:24]%13[CH:18]7=[CH:16]%10[CH:17]%11=[CH:25]%135">CAN<104:109835>NUM<0007>SEQ<0001>COMPRN<42968683,54039371,7439954,109999,100581826>ROLESTAGE<0;42968683;1;reactant>STAGE<0;54039371;1;reactant>STAGE<0;7439954;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100581826;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1328>ISM<"[C-:1]#[O+:2].[CH3:24][c:22]1[cH:25][cH:27][cH:26][cH:23][c:19]1[c:16]2[cH:18][cH:21][cH:20][cH:17][c:5]2[CH2-:3][93Nb+4:4]3456789%10([Cl-])([CH-:8]%11[CH:15]5=[CH:6]7[CH:7]8=[CH:14]%113)[CH-:9]%12[CH:13]6=[CH:10]9[CH:11]%10=[CH:12]%124>[Li].[202Hg].[CH2]1[CH2][CH2][O][CH2]1>[CH3:24][c:22]1[cH:25][cH:27][cH:26][cH:23][c:19]1[c:16]2[cH:18][cH:21][cH:20][cH:17][c:5]2[CH2-:3][93Nb+3:4]3456789%10([C:1]#[O:2])([CH-:8]%11[CH:15]5=[CH:6]7[CH:7]8=[CH:14]%113)[CH-:9]%12[CH:12]6=[CH:11]9[CH:10]%10=[CH:13]%124">CAN<104:109835>NUM<0010>SEQ<0001>COMPRN<630080,100581848,7440235,7439976,109999,100581644>ROLESTAGE<0;630080;1;reactant>STAGE<0;100581848;1;reactant>STAGE<0;11110524;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100581644;1;product>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) Warning converting TDT: $RXNID<1329>ISM<"[F-][BH2+3]([F-])([F-])[F-].[CH2-:13]1[c:15]2[cH:19][cH:23][cH:25][cH:22][c:18]2[c:16]3[cH:20][cH:24][cH:21][cH:17][c:14]3[CH2-:12][93Nb+5:1]1456789%10%11([CH-:6]%12[CH:9]6=[CH:8]8[CH:7]9=[CH:10]%124)[CH-:5]%13[CH:11]7=[CH:3]%10[CH:2]%11=[CH:4]%135>[LiH+].[H-][BH2+3]([H-])([H-])[H-].[CH2]1[CH2][CH2][O][CH2]1>[CH2-:13]1[c:15]2[cH:19][cH:23][cH:25][cH:22][c:18]2[c:16]3[cH:20][cH:24][cH:21][cH:17][c:14]3[CH2-:12][93Nb+4:1]1456789%10%11([CH-:6]%12[CH:9]6=[CH:8]8[CH:7]9=[CH:10]%124)[CH-:5]%13[CH:11]7=[CH:3]%10[CH:2]%11=[CH:4]%135">CAN<104:109835>NUM<0015>SEQ<0001>COMPRN<14874705,87198285,16940662,16940662,109999,87198263>ROLESTAGE<0;87198296;1;reactant>STAGE<0;16940662;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;87198263;1;product>MCOMPRN<87198296;14874705;1>MCOMPRN<87198296;87198285;1>| Error messages: WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 3 (normal 2) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1330>ISM<"[F-][BH2+3]([F-])([F-])[F-].[CH2-:13]1[c:15]2[cH:19][cH:23][cH:25][cH:22][c:18]2[c:16]3[cH:20][cH:24][cH:21][cH:17][c:14]3[CH2-:12][93Nb+5:1]1456789%10%11([CH-:6]%12[CH:9]6=[CH:8]8[CH:7]9=[CH:10]%124)[CH-:5]%13[CH:11]7=[CH:3]%10[CH:2]%11=[CH:4]%135>[39KH+].[H-][BH2+3]([CH-]([CH3])[CH2][CH3])([CH-]([CH3])[CH2][CH3])[CH-]([CH3])[CH2][CH3].[CH2]1[CH2][CH2][O][CH2]1>[CH2-:13]1[c:15]2[cH:19][cH:23][cH:25][cH:22][c:18]2[c:16]3[cH:20][cH:24][cH:21][cH:17][c:14]3[CH2-:12][93Nb+4:1]1456789%10%11([CH-:6]%12[CH:9]6=[CH:8]8[CH:7]9=[CH:10]%124)[CH-:5]%13[CH:11]7=[CH:3]%10[CH:2]%11=[CH:4]%135">CAN<104:109835>NUM<0015>SEQ<0002>COMPRN<14874705,87198285,54575494,54575494,109999,87198263>ROLESTAGE<0;87198296;1;reactant>STAGE<0;54575494;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;87198263;1;product>MCOMPRN<87198296;14874705;1>MCOMPRN<87198296;87198285;1>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1331>ISM<"[Cl-][90Zr+4:1]12345678([Cl-])([CH-:6]9[CH:7]3=[CH:8]5[CH:5]6=[CH:9]91)[CH-:10]%10[CH:4]4=[CH:2]7[CH:3]8=[CH:11]%102.[Cl-][90Zr+4:12]12345678([Cl-])([CH-:17]9[CH:18]3=[CH:19]5[CH:16]6=[CH:20]91)[CH-:21]%10[CH:15]4=[CH:13]7[CH:14]8=[CH:22]%102>[7LiH+].[H-][BH2+3]([CH2-][CH3])([CH2-][CH3])[CH2-][CH3].[SH2].[CH2]1[CH2][CH2][O][CH2]1>[S-2]1[90Zr+4:1]23456789([S-2][90Zr+4:12]1%10%11%12%13%14%15%16%17([CH-:17]%18[CH:18]%12=[CH:19]%14[CH:16]%15=[CH:20]%18%10)[CH-:21]%19[CH:22]%13=[CH:14]%16[CH:13]%17=[CH:15]%19%11)([CH-:6]%20[CH:9]4=[CH:5]6[CH:8]7=[CH:7]%202)[CH-:10]%21[CH:4]5=[CH:2]8[CH:3]9=[CH:11]%213">CAN<104:109833>NUM<0001>SEQ<0001>COMPRN<1291323,1291323,22560163,22560163,7704349,109999,92097091>ROLESTAGE<0;1291323;2;reactant>STAGE<0;7704349;1;reagent>STAGE<0;22560163;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;92097091;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1332>ISM<"[Cl-][90Zr+4:1]12345678([Cl-])([CH-:6]9[CH:7]3=[CH:8]5[CH:5]6=[CH:9]91)[CH-:10]%10[CH:4]4=[CH:2]7[CH:3]8=[CH:11]%102.[Cl-][90Zr+4:12]12345678([Cl-])([CH-:17]9[CH:18]3=[CH:19]5[CH:16]6=[CH:20]91)[CH-:21]%10[CH:15]4=[CH:13]7[CH:14]8=[CH:22]%102>[7LiH+].[H-][BH2+3]([CH2-][CH3])([CH2-][CH3])[CH2-][CH3].[80Se].[CH2]1[CH2][CH2][O][CH2]1>[80Se-2]1[90Zr+4:12]23456789([80Se-2][90Zr+4:1]1%10%11%12%13%14%15%16%17([CH-:6]%18[CH:9]%12=[CH:5]%14[CH:8]%15=[CH:7]%18%10)[CH-:10]%19[CH:11]%13=[CH:3]%16[CH:2]%17=[CH:4]%19%11)([CH-:21]%20[CH:15]4=[CH:13]6[CH:14]7=[CH:22]%202)[CH-:17]%21[CH:18]5=[CH:19]8[CH:16]9=[CH:20]%213">CAN<104:109833>NUM<0002>SEQ<0001>COMPRN<1291323,1291323,22560163,22560163,7782492,109999,100581440>ROLESTAGE<0;1291323;2;reactant>STAGE<0;7782492;1;reagent>STAGE<0;22560163;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100581440;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1333>ISM<"[Cl-][180Hf+4]12345678([Cl-])([CH-]9[CH]3=[CH]5[CH]6=[CH]91)[CH-]%10[CH]4=[CH]7[CH]8=[CH]%102>[7LiH+].[H-][BH2+3]([CH2-][CH3])([CH2-][CH3])[CH2-][CH3].[SH2].[CH2]1[CH2][CH2][O][CH2]1>[S-2]1[180Hf+4]23456789([S-2][180Hf+4]1%10%11%12%13%14%15%16%17([CH-]%18[CH]%12=[CH]%14[CH]%15=[CH]%18%10)[CH-]%19[CH]%13=[CH]%16[CH]%17=[CH]%19%11)([CH-]%20[CH]4=[CH]6[CH]7=[CH]%202)[CH-]%21[CH]5=[CH]8[CH]9=[CH]%213">CAN<104:109833>NUM<0003>SEQ<0001>COMPRN<12116664,22560163,22560163,7704349,109999,100581451>ROLESTAGE<0;12116664;1;reactant>STAGE<0;7704349;1;reagent>STAGE<0;22560163;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100581451;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1334>ISM<"[Cl-][180Hf+4]12345678([Cl-])([CH-]9[CH]3=[CH]5[CH]6=[CH]91)[CH-]%10[CH]4=[CH]7[CH]8=[CH]%102>[7LiH+].[H-][BH2+3]([CH2-][CH3])([CH2-][CH3])[CH2-][CH3].[80Se].[CH2]1[CH2][CH2][O][CH2]1>[80Se-2]1[180Hf+4]23456789([80Se-2][180Hf+4]1%10%11%12%13%14%15%16%17([CH-]%18[CH]%12=[CH]%14[CH]%15=[CH]%18%10)[CH-]%19[CH]%13=[CH]%16[CH]%17=[CH]%19%11)([CH-]%20[CH]4=[CH]6[CH]7=[CH]%202)[CH-]%21[CH]5=[CH]8[CH]9=[CH]%213">CAN<104:109833>NUM<0004>SEQ<0001>COMPRN<12116664,22560163,22560163,7782492,109999,100581462>ROLESTAGE<0;12116664;1;reactant>STAGE<0;7782492;1;reagent>STAGE<0;22560163;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100581462;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1335>ISM<"[CH3:19][C:13]([CH3:18])([CH3:17])[C-:3]1([CH:4]2=[CH:11]3[CH:10]4=[CH:5]15)[90Zr+4:1]34625789([Cl-])([Cl-])[CH:8]%10=[CH:7]7[C-:2]9([CH:6]8=[CH:9]%106)[C:12]([CH3:16])([CH3:15])[CH3:14].[CH3:38][C:32]([CH3:37])([CH3:36])[C-:22]1([CH:23]2=[CH:30]3[CH:29]4=[CH:24]15)[90Zr+4:20]34625789([Cl-])([Cl-])[CH:27]%10=[CH:26]7[C-:21]9([CH:25]8=[CH:28]%106)[C:31]([CH3:35])([CH3:34])[CH3:33]>[7LiH+].[H-][BH2+3]([CH2-][CH3])([CH2-][CH3])[CH2-][CH3].[SH2].[CH2]1[CH2][CH2][O][CH2]1>[CH3:38][C:32]([CH3:37])([CH3:36])[C-:22]1([CH:24]2=[CH:29]3[CH:30]4=[CH:23]15)[90Zr+4:20]63472589%10([S-2][90Zr+4:1]%11%12%13%14%15%16%17%18([S-2]6)([CH:11]%19=[CH:4]%13[C-:2]%17([CH:5]%14=[CH:8]%19%11)[C:12]([CH3:14])([CH3:15])[CH3:16])[CH:10]%20=[CH:6]%15[C-:3]%18([CH:7]%16=[CH:9]%20%12)[C:13]([CH3:18])([CH3:17])[CH3:19])[CH:27]%21=[CH:26]8[C-:21]%10([CH:25]9=[CH:28]%217)[C:31]([CH3:34])([CH3:33])[CH3:35]">CAN<104:109833>NUM<0005>SEQ<0001>COMPRN<32876929,32876929,22560163,22560163,7704349,109999,100581473>ROLESTAGE<0;32876929;2;reactant>STAGE<0;7704349;1;reagent>STAGE<0;22560163;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100581473;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1336>ISM<"[CH3:19][C:13]([CH3:18])([CH3:17])[C-:3]1([CH:4]2=[CH:11]3[CH:10]4=[CH:5]15)[90Zr+4:1]34625789([Cl-])([Cl-])[CH:8]%10=[CH:7]7[C-:2]9([CH:6]8=[CH:9]%106)[C:12]([CH3:16])([CH3:15])[CH3:14].[CH3:38][C:32]([CH3:37])([CH3:36])[C-:22]1([CH:23]2=[CH:30]3[CH:29]4=[CH:24]15)[90Zr+4:20]34625789([Cl-])([Cl-])[CH:27]%10=[CH:26]7[C-:21]9([CH:25]8=[CH:28]%106)[C:31]([CH3:35])([CH3:34])[CH3:33]>[7LiH+].[H-][BH2+3]([CH2-][CH3])([CH2-][CH3])[CH2-][CH3].[80Se].[CH2]1[CH2][CH2][O][CH2]1>[CH3:38][C:32]([CH3:37])([CH3:36])[C-:22]1([CH:24]2=[CH:29]3[CH:30]4=[CH:23]15)[90Zr+4:20]63472589%10([80Se-2][90Zr+4:1]%11%12%13%14%15%16%17%18([80Se-2]6)([CH:11]%19=[CH:5]%13[C-:2]%17([CH:4]%14=[CH:8]%19%11)[C:12]([CH3:14])([CH3:15])[CH3:16])[CH:10]%20=[CH:7]%15[C-:3]%18([CH:6]%16=[CH:9]%20%12)[C:13]([CH3:18])([CH3:17])[CH3:19])[CH:27]%21=[CH:26]8[C-:21]%10([CH:25]9=[CH:28]%217)[C:31]([CH3:34])([CH3:33])[CH3:35]">CAN<104:109833>NUM<0006>SEQ<0001>COMPRN<32876929,32876929,22560163,22560163,7782492,109999,92066609>ROLESTAGE<0;32876929;2;reactant>STAGE<0;7782492;1;reagent>STAGE<0;22560163;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;92066609;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1337>ISM<"[CH3:19][C:13]([CH3:18])([CH3:17])[C-:3]1([CH:4]2=[CH:11]3[CH:10]4=[CH:5]15)[180Hf+4:1]34625789([Cl-])([Cl-])[CH:8]%10=[CH:7]7[C-:2]9([CH:6]8=[CH:9]%106)[C:12]([CH3:16])([CH3:15])[CH3:14].[CH3:38][C:32]([CH3:37])([CH3:36])[C-:22]1([CH:23]2=[CH:30]3[CH:29]4=[CH:24]15)[180Hf+4:20]34625789([Cl-])([Cl-])[CH:27]%10=[CH:26]7[C-:21]9([CH:25]8=[CH:28]%106)[C:31]([CH3:35])([CH3:34])[CH3:33]>[7LiH+].[H-][BH2+3]([CH2-][CH3])([CH2-][CH3])[CH2-][CH3].[SH2].[CH2]1[CH2][CH2][O][CH2]1>[CH3:38][C:32]([CH3:37])([CH3:36])[C-:22]1([CH:24]2=[CH:29]3[CH:30]4=[CH:23]15)[180Hf+4:20]63472589%10([S-2][180Hf+4:1]%11%12%13%14%15%16%17%18([S-2]6)([CH:11]%19=[CH:4]%13[C-:2]%17([CH:5]%14=[CH:8]%19%11)[C:12]([CH3:14])([CH3:15])[CH3:16])[CH:10]%20=[CH:6]%15[C-:3]%18([CH:7]%16=[CH:9]%20%12)[C:13]([CH3:18])([CH3:17])[CH3:19])[CH:27]%21=[CH:26]8[C-:21]%10([CH:25]9=[CH:28]%217)[C:31]([CH3:34])([CH3:33])[CH3:35]">CAN<104:109833>NUM<0007>SEQ<0001>COMPRN<33010558,33010558,22560163,22560163,7704349,109999,100581484>ROLESTAGE<0;33010558;2;reactant>STAGE<0;7704349;1;reagent>STAGE<0;22560163;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;100581484;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1338>ISM<"[CH3:19][C:13]([CH3:18])([CH3:17])[C-:3]1([CH:4]2=[CH:11]3[CH:10]4=[CH:5]15)[180Hf+4:1]34625789([Cl-])([Cl-])[CH:8]%10=[CH:7]7[C-:2]9([CH:6]8=[CH:9]%106)[C:12]([CH3:16])([CH3:15])[CH3:14].[CH3:38][C:32]([CH3:37])([CH3:36])[C-:22]1([CH:23]2=[CH:30]3[CH:29]4=[CH:24]15)[180Hf+4:20]34625789([Cl-])([Cl-])[CH:27]%10=[CH:26]7[C-:21]9([CH:25]8=[CH:28]%106)[C:31]([CH3:35])([CH3:34])[CH3:33]>[7LiH+].[H-][BH2+3]([CH2-][CH3])([CH2-][CH3])[CH2-][CH3].[80Se].[CH2]1[CH2][CH2][O][CH2]1>[CH3:38][C:32]([CH3:37])([CH3:36])[C-:22]1([CH:24]2=[CH:29]3[CH:30]4=[CH:23]15)[180Hf+4:20]63472589%10([80Se-2][180Hf+4:1]%11%12%13%14%15%16%17%18([80Se-2]6)([CH:11]%19=[CH:5]%13[C-:2]%17([CH:4]%14=[CH:8]%19%11)[C:12]([CH3:14])([CH3:15])[CH3:16])[CH:10]%20=[CH:7]%15[C-:3]%18([CH:6]%16=[CH:9]%20%12)[C:13]([CH3:18])([CH3:17])[CH3:19])[CH:27]%21=[CH:26]8[C-:21]%10([CH:25]9=[CH:28]%217)[C:31]([CH3:34])([CH3:33])[CH3:35]">CAN<104:109833>NUM<0008>SEQ<0001>COMPRN<33010558,33010558,22560163,22560163,7782492,109999,92066610>ROLESTAGE<0;33010558;2;reactant>STAGE<0;7782492;1;reagent>STAGE<0;22560163;1;reagent>STAGE<0;109999;1;solvent>STAGE<0;92066610;1;product>| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) Warning converting TDT: $RXNID<1339>ISM<"[CH3:39][C:27]([CH3:38])([CH3:37])[C-:15]1([CH:16]2=[CH:23]3[CH:22]4=[CH:17]15)[90Zr+4:3]34625789([CH3-])([O-2:1][90Zr+4:2]%10%11%12%13%14%15%16%17([CH3-])([CH:12]%18=[CH:8]%12[C-:5]%16([CH:9]%13=[CH:11]%18%10)[C:25]([CH3:33])([CH3:32])[CH3:31])[CH:13]%19=[CH:6]%14[C-:4]%17([CH:7]%15=[CH:10]%19%11)[C:24]([CH3:30])([CH3:29])[CH3:28])[CH:20]%20=[CH:19]7[C-:14]9([CH:18]8=[CH:21]%206)[C:26]([CH3:36])([CH3:35])[CH3:34]>[SH2].[CH3][c]1[cH][cH][cH][cH][cH]1>[CH3:39][C:27]([CH3:38])([CH3:37])[C-:15]1([CH:17]2=[CH:22]3[CH:23]4=[CH:16]15)[90Zr+4:3]63472589%10([O-2:1][90Zr+4:2]%11%12%13%14%15%16%17%18([S-2]6)([CH:13]%19=[CH:6]%13[C-:4]%17([CH:7]%14=[CH:10]%19%11)[C:24]([CH3:28])([CH3:29])[CH3:30])[CH:12]%20=[CH:8]%15[C-:5]%18([CH:9]%16=[CH:11]%20%12)[C:25]([CH3:32])([CH3:31])[CH3:33])[CH:20]%21=[CH:19]8[C-:14]%10([CH:18]9=[CH:21]%217)[C:26]([CH3:35])([CH3:34])[CH3:36]">CAN<104:109833>NUM<0009>SEQ<0001>COMPRN<100581508,7704349,108883,100581495>ROLESTAGE<0;100581508;1;reactant>STAGE<0;7704349;1;reagent>STAGE<0;108883;1;solvent>STAGE<0;100581495;1;product>NOTES<"photochemical">| Error messages: WARNING: Atom has high valence 6 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord) WARNING: Atom has high valence 4 (normal 3) (dy_rmbord)