Added 34 molecules from epoch 21672 for P23977

P23977_molecules.csv

@@ -42907,3 +42907,37 @@ rxn:2:97024:96010,CC(NCCC#Cc1cscn1)c1ccc(-c2ccsc2)cc1,ALASVCMDVILLHT-UHFFFAOYSA-
 rxn:2:97543:170060,Cc1cc(-c2ccc(CCC(C)NCCc3nnn[nH]3)cc2)cs1,HQODJAIPCARRHY-UHFFFAOYSA-N
 rxn:2:97900:148477,CC(Nc1n[nH]c2[nH]ncc12)c1ccc2c(c1)CCc1ccccc1-2,MBQOZEZJMMQILI-UHFFFAOYSA-N
 rxn:2:97980:152446,CC(Nc1ccsn1)c1ccc(C#Cc2ccccc2)cc1,AJJGHDIDQSHCBV-UHFFFAOYSA-N
+rxn:1:59830:28813,NCCC1CC1c1ccc(-c2cn(Cc3ccc(Br)o3)nn2)cc1,FJLXQKDRWATXOM-UHFFFAOYSA-N
+rxn:2:104678:170060,Cc1nc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n(C)n1,RUBMZJMTLULMPP-UHFFFAOYSA-N
+rxn:2:104748:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCc1c[nH]cn1,NSDYGQOAYLQFPJ-UHFFFAOYSA-N
+rxn:2:113721:170235,Cc1cccc(-c2ccc3oc(C(C)N[C@H]4CC[C@H](CS(C)(=O)=O)CC4)cc3c2)c1,JSLDTVAEGYOJPR-OVLYYZPWSA-N
+rxn:2:114934:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3cnc4nc[nH]c4c3)cc2)cs1,UZLZNZBXTUONOA-UHFFFAOYSA-N
+rxn:2:120365:96187,F[C@@H]1C[C@H](c2ccccc2)CCC1NCCC#Cc1ccoc1,YSNPUUCYABKRSQ-LEAGNCFPSA-N
+rxn:2:129306:170060,CCc1n[nH]c(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n1,CTPUGBMRPLDQAV-UHFFFAOYSA-N
+rxn:2:130089:152446,CC(NCCS(=O)(=O)[O-])c1ccc(C#Cc2ccccc2)cc1,QCSBGRPMIXJJAI-UHFFFAOYSA-M
+rxn:2:130128:172375,CC(Nc1cnsc1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,MTHOHBKISOEISG-UHFFFAOYSA-N
+rxn:2:135573:170235,CSCCC(NC(C)c1cc2cc(-c3cccc(C)c3)ccc2o1)c1nnco1,JEWQSTPPWTWSRA-UHFFFAOYSA-N
+rxn:2:137534:88359,CCC(NCCc1nnco1)c1ccc(-c2cscc2C)cc1,RJCYWTCMGYWYCB-UHFFFAOYSA-N
+rxn:2:140051:170060,CCC(CSc1nncn1C)NC(C)CCc1ccc(-c2csc(C)c2)cc1,FZWAOXAXGBIORU-UHFFFAOYSA-N
+rxn:2:141397:171847,CNC(C)c1cccc(-c2ccc(OC3CC3)cc2)c1C,FTWAIUMXMDRSAY-UHFFFAOYSA-N
+rxn:2:141544:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCSc1ncn[nH]1,XLHFPWCTBFWHRO-UHFFFAOYSA-N
+rxn:2:150747:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)[nH]c3c2)cc1,XAULEBRNQYLXFH-UHFFFAOYSA-N
+rxn:2:158967:142183,N=CCNc1ccc2nc(-c3cccnc3)oc2c1,KCMMPFFGWGNRCE-UHFFFAOYSA-N
+rxn:2:160401:112875,O=c1[nH]c2ncc(C#CCCNC3CC(C#Cc4cccs4)C3)cc2o1,PURSXSHURFQQTK-UHFFFAOYSA-N
+rxn:2:162493:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3ccc4c(=O)[nH]cnc4c3)s2)cs1,OPAXZQCKXRKJKC-UHFFFAOYSA-N
+rxn:2:169973:142183,N=CCN[C@@H](c1ccc2c(c1)Cc1ccccc1-2)C1CCC1,ORBQZOIHFKTNSY-HXUWFJFHSA-N
+rxn:2:66784:170026,CCCC(NCCc1nc[nH]c1C)c1ccc(-c2cc3cc(C)ccc3s2)cc1,RAXIKISAYJEROV-UHFFFAOYSA-N
+rxn:2:73951:156984,COc1csc(-c2ccc(C(C)Nc3cn[nH]c(=O)c3)c(C)c2)c1,FPLYESQGRCJKQR-UHFFFAOYSA-N
+rxn:2:74199:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3cnc4cc[nH]c4c3)cc2)cs1,RIAVDMXVHLSVHE-UHFFFAOYSA-N
+rxn:2:76644:142183,Cc1ccccc1C#CCNCC=N,SIGNHMJSZPKWNA-UHFFFAOYSA-N
+rxn:2:79984:171179,CCC(Nc1ccnnc1)c1ccc(-c2ccc(C)o2)cc1C,HPMZTODTAOPNJR-UHFFFAOYSA-N
+rxn:2:82511:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3ccc4[nH]cnc4c3)cc2)cs1,VKZSLRLLDRGSSS-UHFFFAOYSA-N
+rxn:2:85110:170060,COc1ccc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nc1,IUSUSHCRVNWJGH-UHFFFAOYSA-N
+rxn:2:88157:170060,CCOc1ccc(CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,ZYKFWJDTEGYZPT-UHFFFAOYSA-N
+rxn:2:89509:170026,CCCC(Nc1cncc(=O)[nH]1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,IOWVSVYSEYPSEK-UHFFFAOYSA-N
+rxn:2:92382:169412,Cc1csc(-c2ccc(CCC(C)Nc3cn[nH]c3)cc2)c1,XSMOCUQCXMFXKF-UHFFFAOYSA-N
+rxn:2:92382:73940,CSCC(Nc1cn[nH]c1)c1ccc(C)c(C)c1,PHUAENZAQGGTEN-UHFFFAOYSA-N
+rxn:2:94771:147222,Cc1cc(C(C)Nn2cnnc2)ccc1OCc1ccccc1,IDZOMFVOKOGRSS-UHFFFAOYSA-N
+rxn:2:96163:170813,CCSCCCNC(CC)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,OFBOJUPYRLRIKU-UHFFFAOYSA-N
+rxn:2:97024:67845,Cc1cccc([C@H]2CCC(NCCC#Cc3cscn3)C2)c1,JEXAOWCDIYLDOT-ZENAZSQFSA-N
+rxn:2:97900:96010,CC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2ccsc2)cc1,GTCAGHHUMUEEQB-UHFFFAOYSA-N