urdof7 commited on
Commit
5746263
·
verified ·
1 Parent(s): 12b0f11

Added 275 molecules from epoch 16741 for P31645

Browse files
Files changed (1) hide show
  1. P31645_molecules.csv +275 -0
P31645_molecules.csv CHANGED
@@ -40953,3 +40953,278 @@ rxn:2:68371:138960,COc1ccc(C2(N3CCC(NCc4nc(C5CCCSCC5)no4)CC3)CC2)cc1,GRIZYKKVLHL
40953
  rxn:2:78065:140172,COc1nc(N2CCCC2)ccc1C(C)NCCCCN1CCSCC1,HGBUVDVIGQCMKM-UHFFFAOYSA-N
40954
  rxn:2:80849:138163,COc1cc(C)c(NC2CCN(CC3CCCCN3C)C(C)C2)c(C)n1,WMESUTYQMATAMI-UHFFFAOYSA-N
40955
  rxn:2:91426:96572,COc1nc2c(cc1NC(C)CCCCN1CCSCC1)CCN(C)CC2,HQLIQBDYIVUZSB-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
40953
  rxn:2:78065:140172,COc1nc(N2CCCC2)ccc1C(C)NCCCCN1CCSCC1,HGBUVDVIGQCMKM-UHFFFAOYSA-N
40954
  rxn:2:80849:138163,COc1cc(C)c(NC2CCN(CC3CCCCN3C)C(C)C2)c(C)n1,WMESUTYQMATAMI-UHFFFAOYSA-N
40955
  rxn:2:91426:96572,COc1nc2c(cc1NC(C)CCCCN1CCSCC1)CCN(C)CC2,HQLIQBDYIVUZSB-UHFFFAOYSA-N
40956
+ 008472AECC3717E8_9547280AD08227F1_6028_UN,C1C2CC1N(CC3=C2C=CC=C3)[S](C4=CC(=C(OC)C=C4)Br)(=O)=O,UFLRMTWPGJVVEX-UHFFFAOYSA-N
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41123
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41124
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41125
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41126
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41127
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41128
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41129
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41130
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41131
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41132
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41133
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41134
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41135
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41136
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41137
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41138
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41139
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41140
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41141
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41142
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41143
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41144
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41145
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41146
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41147
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41148
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41149
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41150
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41151
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41152
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41153
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41154
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41155
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41156
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41157
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41158
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41159
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41160
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41161
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41162
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41163
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41164
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41165
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41166
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41167
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41168
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41169
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41170
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41171
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41172
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41173
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41174
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41175
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41176
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41177
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41178
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41179
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41180
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41181
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41182
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41183
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41184
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41185
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41186
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41187
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41188
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41189
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41190
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41191
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41192
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41193
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41194
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41195
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41196
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41197
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41198
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41199
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41200
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41201
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41202
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41203
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41204
+ rxn:2:70234:90102,COc1cccc2c1SCCC(NCCCC(C)N1CCCOCC1)C2,NIFQWVUMKQOGIQ-UHFFFAOYSA-N
41205
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41206
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41207
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41208
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41209
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41210
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41211
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41212
+ rxn:2:79350:116020,COCC(CC1CCOCC1)NC(C)c1ccccc1OCC1CCCO1,CFLNTNAMYPPOKM-UHFFFAOYSA-N
41213
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41214
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41215
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41216
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41217
+ rxn:2:89237:108419,CC1(CCCNCC2CCCCN2C2CCCCC2)CC1,KFLITHYTLJBYOU-UHFFFAOYSA-N
41218
+ rxn:2:89398:69184,C[Si](C)(C)C1CC(NCc2cccc(COC3CCOC3)n2)C12CCC2,OPXZNWXKBNZBHZ-UHFFFAOYSA-N
41219
+ rxn:2:90102:127548,COc1cccc2c1SCCC(NCC(C)CCN1CCN3CCCCC3C1)C2,WDMJJGACDRCJML-UHFFFAOYSA-N
41220
+ rxn:2:91771:128740,COc1ccc(C)cc1CCC(C)NOCC1CCCCN1CC1CCCO1,ZTHFAGZGOWQWSV-UHFFFAOYSA-N
41221
+ rxn:2:92302:147636,CCC(CNC1c2cccc(OC)c2OCCC1CN1CCOCC1)N1CCCC1,LYYWRHHKLHRPNT-UHFFFAOYSA-N
41222
+ rxn:2:92790:122629,COc1ccc(C(C)NCCOC2CCOC2)cc1CN1CCOCC1,TWCQBKHLRPMUOP-UHFFFAOYSA-N
41223
+ rxn:2:93940:147201,COc1ccc2c(c1)C(NCCC1CCCCC(N3CCOCC3)C1)c1ccccc1CO2,GKDCABKMFSSBCS-UHFFFAOYSA-N
41224
+ rxn:2:94276:127548,COc1ccc2c(c1)SCCCC2NCC(C)CCN1CCN2CCCCC2C1,KDGPXQGMKSIVLI-UHFFFAOYSA-N
41225
+ rxn:2:94905:146149,COc1ccccc1-c1ccc2c(c1)OCCC2NCC1CCC(COC2CCCCC2)O1,FSHZWRDBCJDLFP-UHFFFAOYSA-N
41226
+ rxn:2:95168:103021,COc1cccc(C2(N3CCC(NCC[C@H]4CO[C@H](C)CO4)CC3)CC2)c1,GQTMNYPKZBEJIG-UTKZUKDTSA-N
41227
+ rxn:2:95668:146149,COc1ccccc1-c1ccc2c(c1)OCCC2NCC1CCC(COC2CCCCC2C)O1,CEJHTMNVKCJANG-UHFFFAOYSA-N
41228
+ rxn:2:95668:86915,COc1cc2occc2cc1C(C)NCC1CCC(COC2CCCCC2C)O1,CHTQXLAULGGEHI-UHFFFAOYSA-N
41229
+ rxn:2:97442:128740,COc1ccc(C)cc1CCC(C)NC1CCOCC1OCC1CCCCO1,FBLFPVREWYEFMO-UHFFFAOYSA-N
41230
+ rxn:2:98543:145434,CCC(CNC1c2cccc(OC)c2OCCC1CN1CCCCC1)N1CCOCC1,UZNZRGNEIMAJKN-UHFFFAOYSA-N