Added 294 molecules from epoch 17424 for O15379

O15379_molecules.csv

@@ -26417,3 +26417,297 @@ rxn:2:99448:126170,CCCC(C(NC1(COc2cccnn2)CCOC1)c1ccc2c(c1)CCC2)N1CCCC1,UBPZQZIRC
 rxn:2:99566:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3nc(N4CCN(C)CC4)ns3)C2(F)F)n1,WJICCINJEHOYAV-UHFFFAOYSA-N
 rxn:2:99871:67412,CCSC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C)C1C2CC3CC(C2)CC1C3,PZXKAVRFBQAPON-YXNKBPMPSA-N
 rxn:2:99871:87885,CCSC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)OC)C2(C)C)C1C2CC3CC(C2)CC1C3,FTOCPKNVFYKKKW-FPBLOMPZSA-N
+rxn:1:10387:59752,O=C(NC1CCCCCC1)N1CCC(n2cc(CSc3nc4scc(-c5ccc(Cl)c(Cl)c5)c4c(=O)[nH]3)nn2)CC1,GYRVOICZBWQTIF-UHFFFAOYSA-N
+rxn:1:10438:61094,O=C(Cn1cc(CSc2nc3scc(-c4ccc5c(c4)CCCC5)c3c(=O)[nH]2)nn1)N1CCC(C(F)(F)F)CC1,ZCNWTBMBARJYBU-UHFFFAOYSA-N
+rxn:1:10545:62052,CC(=O)CS(=O)Cc1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,CCIURBNNPFNIBP-UHFFFAOYSA-N
+rxn:1:10899:54802,O=C(O)C1CCCCC1C(=O)Nc1cccc(-c2cn(CCC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)c1,HHVRJHBUIVJQGW-UHFFFAOYSA-N
+rxn:1:11271:62271,CS(=O)(=O)N(Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccccc1,OOLKTNBIFDEARE-UHFFFAOYSA-N
+rxn:1:12043:54802,O=C(O)C(O)CCc1cn(CCC2C(c3cccc(N4CCNCC4)c3)C2(F)F)nn1,NGCYJUXKSCIIFG-UHFFFAOYSA-N
+rxn:1:12794:59616,CC1(C)OB(C(F)=C(Cn2cc(-c3ccc(C(=O)OCC4CCC(=O)N4)cc3)nn2)c2cccs2)OC1(C)C,ZIZNVQXDGLLIQQ-UHFFFAOYSA-N
+rxn:1:12969:59596,CC1(C)OB(C(F)=C2COCC2n2cc(-c3cccc(C(=O)OC4CCN(c5ncccn5)CC4)c3)nn2)OC1(C)C,YFWRSYGQNVEUOK-UHFFFAOYSA-N
+rxn:1:13247:53747,CC1(COC(=O)c2ccc(-c3cn(CCC4C(c5cn[nH]c5C(=O)O)C4(F)F)nn3)cc2)COCOC1,MFJSORCSBPKQRI-UHFFFAOYSA-N
+rxn:1:13895:61538,CCCCC[C@H]1CC[C@@H](c2cn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)nn2)CC1,MVVMKPFKOHAZKA-OYRHEFFESA-N
+rxn:1:14071:54469,CCN1CCC(Nc2cccc(-c3cn(CCC4C(c5cc(O)c(O)c(OC)c5)C4(F)F)nn3)c2)CC1,SEYMARXQZGANQM-UHFFFAOYSA-N
+rxn:1:1488:52432,N#Cc1ccc(Cl)cc1C1CC1CCn1cc(C2CCN(S(=O)(=O)C3CC3)CC2)nn1,DRPZWLMNHZWPFW-UHFFFAOYSA-N
+rxn:1:1488:52434,N#Cc1ccc(F)cc1C1CC1CCn1cc(C2CCN(S(=O)(=O)C3CC3)CC2)nn1,DRSNARRUOZBFLD-UHFFFAOYSA-N
+rxn:1:17812:49287,CCCC(=O)c1cc(-c2cn(CCC(O)C(O)c3c[nH]c4nc(Cl)nc(Cl)c34)nn2)c2c(c1)C(C1CCC1)C(=O)N2,TTZBWVFFNGJYRT-UHFFFAOYSA-N
+rxn:1:20870:61601,CCC(c1ccc(F)c(F)c1)n1nc(C2CCC2)cc1-c1cn(C2CC(C)(C)N(O)C(C)(C)C2)nn1,RXUCWMKFFLMCPF-UHFFFAOYSA-N
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+rxn:1:22772:58397,CN(CCCn1cc(-c2cncc(-n3nc(C4CCCCC4)c(Br)c3Cl)c2)nn1)C1CCS(=O)(=O)C1,VBUWGUHPUDSDTR-UHFFFAOYSA-N
+rxn:1:22774:58397,CN(CCCn1cc(-c2cncc(-n3nc(C4CCCCC4)c(I)c3Cl)c2)nn1)C1CCS(=O)(=O)C1,LVDVMHRNLNZRPM-UHFFFAOYSA-N
+rxn:1:22777:58397,CN(CCCn1cc(-c2cncc(-n3nc(C4CCCCC4)c(Cl)c3Br)c2)nn1)C1CCS(=O)(=O)C1,YYPWOKNACHPEFD-UHFFFAOYSA-N
+rxn:1:22781:58397,CN(CCCn1cc(-c2cncc(-n3nc(C4CCCCC4)c(Cl)c3I)c2)nn1)C1CCS(=O)(=O)C1,ZTQSNSLTJGVPIE-UHFFFAOYSA-N
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+rxn:1:29570:49561,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(CC2C(c3cnccn3)C2(F)F)nn1,PFIIKQVIABJDPF-UHFFFAOYSA-M
+rxn:1:29664:49279,O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1-c1cn(CCC(O)C(O)c2c[nH]c3nccc(Cl)c23)nn1,UKKVUXJKFKGLGN-UHFFFAOYSA-N
+rxn:1:29986:61134,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(C3CN(C(=O)C(F)(F)F)C3)nn2)c2ccccc2OCC1,ADLJWVAIBCDTEW-PGRDOPGGSA-N
+rxn:1:30023:53178,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3CCC4C(CC3)C4(F)F)nn2)c2ccccc2OCCC1,DBXFPXFQMXWLDB-ORZLTHFRSA-N
+rxn:1:30077:49433,O=C1NCCN(C(=O)c2cccnn2)CCCOc2ccccc2[C@@H]2C[C@H]1CN(C(=O)c1cn(C3(CI)CNC3)nn1)C2,UKGWSPDZHIQYDK-RTWAWAEBSA-N
+rxn:1:30261:47772,O=C(O)c1c[nH]c2c(-n3cc(C(=O)N4CC[C@H]5C[C@@H]4C(=O)NCCCN(C(=O)C4CC(F)(F)C4)CCOc4ccccc45)nn3)nccc12,CJRVAMAMJATUOQ-UQBPGWFLSA-N
+rxn:1:30261:62812,NC(=O)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(C(=O)C2CC(F)(F)C2)CCOc2ccccc23)nn1,GXLMQDKQCCKKCD-LAUBAEHRSA-N
+rxn:1:30261:64509,O=C(O)c1cncc(-n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(C(=O)C3CC(F)(F)C3)CCOc3ccccc34)nn2)c1,POKJMRMWGATXGE-UQBPGWFLSA-N
+rxn:1:30262:55860,O=C(O)c1ccc(-n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(C(=O)C3CC(F)(F)C3)CCCOc3ccccc34)nn2)cn1,PMTANSFFZHMPJJ-UQBPGWFLSA-N
+rxn:1:30262:62386,O=C(Cl)CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(C(=O)C2CC(F)(F)C2)CCCOc2ccccc23)nn1,XWXALBDIOPUGKK-PGRDOPGGSA-N
+rxn:1:30262:64509,O=C(O)c1cncc(-n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(C(=O)C3CC(F)(F)C3)CCCOc3ccccc34)nn2)c1,YPRLUQNWLWQWOC-UQBPGWFLSA-N
+rxn:1:30274:49075,O=C(O)c1ccncc1-n1cc(C(=O)N2CC[C@@H]3C[C@H]2C(=O)NCCCN(C(=O)C2CC(F)(F)C2)CCCOc2ccccc23)nn1,WKCGLMUBCXTLLQ-NLFFAJNJSA-N
+rxn:1:30274:51538,O=C(Cl)Cn1cc(C(=O)N2CC[C@@H]3C[C@H]2C(=O)NCCCN(C(=O)C2CC(F)(F)C2)CCCOc2ccccc23)nn1,HCHCBMAOWMMRKY-GCJKJVERSA-N
+rxn:1:30444:62042,O=C(Cl)COCCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(C(=O)c2ccon2)CCCOc2ccccc23)nn1,CEAMEPLYKMMQDS-WMZHIEFXSA-N
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