Added 45 molecules from epoch 21770 for P23977

P23977_molecules.csv

@@ -46178,3 +46178,48 @@ rxn:2:91885:150277,COc1csc(-c2ccc(CCC(C)NC3(c4nn[nH]n4)CCCCCC3)cc2)c1,XEALTUPNGQ
 rxn:2:92565:172893,Cc1cc(-c2ccc3sccc3c2)ccc1C(C)NCCc1ccns1,TYAXGCGPSNWXCR-UHFFFAOYSA-N
 rxn:2:93504:170813,CCC(NCCCc1cocn1)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,FAFZCADICPUNAE-UHFFFAOYSA-N
 rxn:2:94771:169366,CC(Nn1cnnc1)c1ccc(-c2cc3ccccc3s2)c2c1OCO2,CQEFTBOQUVUTRU-UHFFFAOYSA-N
+rxn:2:101266:97563,CCOc1ccc(C(CC)N[C@@H]2CCC[C@H](C)C2)cc1C,PPRCWFCFSAHZLT-ZGRMHCKUSA-N
+rxn:2:103277:170060,Cc1cc(-c2ccc(CCC(C)NC[C@H]3C[C@@H](CS(C)(=O)=O)C3)cc2)cs1,KVIYYJQGXTWMHL-XGSMCBPESA-N
+rxn:2:103818:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cnc4[nH]ncc4c3)cc2)c1,IUESISTUHHUBKN-UHFFFAOYSA-N
+rxn:2:104579:87722,CCOc1ccc(C(C)NC2CCCC(C)C2)cc1C,XHOQGEMLEDIJIV-UHFFFAOYSA-N
+rxn:2:104776:67686,COc1cccc(C(CN2CC2)NCC2CC2C(C)C)c1,BZZHDPLPFGVGBT-UHFFFAOYSA-N
+rxn:2:109567:169085,COc1ccc2oc(-c3ccc(CCC(C)NCc4cn[nH]n4)cc3)cc2c1,FJPJBFYUMUWVIS-UHFFFAOYSA-N
+rxn:2:109607:169060,CCC(NCCCCC1N=N1)c1ccc(-c2cccc(C)c2)cc1C,RNXJEWHFULNENW-UHFFFAOYSA-N
+rxn:2:109905:170026,CCCC(NC(C)CCOC)c1ccc(-c2cc3cc(C)ccc3s2)cc1,NEZZCWRTMLBUEI-UHFFFAOYSA-N
+rxn:2:110774:170060,CCn1ncc2c1CC(NC(C)CCc1ccc(-c3csc(C)c3)cc1)CC2,VOPIJMZOZVMNGJ-UHFFFAOYSA-N
+rxn:2:114204:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCC#Cc1cnccn1,XJMDYEIEOHEJKS-UHFFFAOYSA-N
+rxn:2:115178:169412,CSCCC(NC(C)CCc1ccc(-c2cc(C)cs2)cc1)c1nc(C)no1,ICDSDILOEPSODV-UHFFFAOYSA-N
+rxn:2:117731:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCc1ncn[nH]1,RXLRYOPELIIBFP-UHFFFAOYSA-N
+rxn:2:118157:169412,Cc1csc(-c2ccc(CCC(C)NCCS(=O)(=O)c3cn[nH]c3)cc2)c1,ATZCMOJOISTIEM-UHFFFAOYSA-N
+rxn:2:120365:67083,C(#Cc1ccoc1)CCNC1CC(Cc2ccccc2)C1,FAMKWEQFYCPJMZ-UHFFFAOYSA-N
+rxn:2:121277:169412,Cc1csc(-c2ccc(CCC(C)NCCc3cn4c(n3)CCCC4)cc2)c1,TZKBEUNGESAWNB-UHFFFAOYSA-N
+rxn:2:121282:84542,CCSC1CCCC(NC(C)c2ccc(OC)c(C)c2)C1,OGAPSIZVLCMPTF-UHFFFAOYSA-N
+rxn:2:124198:115578,C(#Cc1ccsc1)CCNC1CC[C@@H](c2ccccc2)C1,BXZHXOFNYPGNSN-MRTLOADZSA-N
+rxn:2:127486:143246,Cc1ccc(CC(NC(C)c2nn[nH]n2)c2ccccc2)cc1C,IDFSSEPAUKJUMI-UHFFFAOYSA-N
+rxn:2:128024:169412,Cc1csc(-c2ccc(CCC(C)NCCCS(C)(=O)=O)cc2)c1,XBDLEBXEFRZHCN-UHFFFAOYSA-N
+rxn:2:130875:150277,COc1csc(-c2ccc(CCC(C)NCCCc3nccc(C)n3)cc2)c1,MKHRCBDGIAYBLR-UHFFFAOYSA-N
+rxn:2:131953:170258,Cc1ccc(-c2ccc(-c3ccc(C(C)NCCCCc4nnn[nH]4)s3)cc2)cc1,VKEAIOKWAGCUDO-UHFFFAOYSA-N
+rxn:2:131974:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnccn3)cc2)cs1,JAJJTLCOSIDBCL-UHFFFAOYSA-N
+rxn:2:139310:170235,Cc1cccc(-c2ccc3oc(C(C)NCC4CC(OS(C)(=O)=O)C4)cc3c2)c1,MTDUOBGBUNIUHP-UHFFFAOYSA-N
+rxn:2:141397:66791,CNC(C)c1cc(-c2cc(C)cs2)cs1,XDMPKRGXAPXHPW-UHFFFAOYSA-N
+rxn:2:142221:141545,Cc1ccc(OC[C@@H](C)NC2CCCC(C)C2)c(C)c1,PXKAMIWWZHCCSX-BLDCVEFLSA-N
+rxn:2:66867:170060,Cc1nc(-c2ccc(CNC(C)CCc3ccc(-c4csc(C)c4)cc3)cc2)n[nH]1,WSVDBQNWTIJNBJ-UHFFFAOYSA-N
+rxn:2:69457:102419,CCCC(Cc1ccc2ccccc2c1)NCCc1cc(=O)[nH][nH]1,DHNFNPWJUYPLDJ-UHFFFAOYSA-N
+rxn:2:73713:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3cnc4cc[nH]c4c3)cc2)cs1,JSHSZCGBWTUQEG-UHFFFAOYSA-N
+rxn:2:75557:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2nnn[nH]2)cc1,ILEYCXRHJFVDGV-UHFFFAOYSA-N
+rxn:2:76320:154103,Cc1cscc1NC(c1cc[nH]c1)c1ccc2ccccc2c1,NCSHGWZALSQMDA-UHFFFAOYSA-N
+rxn:2:76681:88330,CCc1cc(C)ccc1NC(CCN(C)C)c1cccc(C)c1,TUTUMQQGQVHVDM-UHFFFAOYSA-N
+rxn:2:77357:169412,Cc1csc(-c2ccc(CCC(C)Nc3cnn(Cc4cnsn4)c3)cc2)c1,NIUWQIVENQHCMF-UHFFFAOYSA-N
+rxn:2:77560:134351,COc1cc(C)c(C)cc1C(CN1CC1)Nc1cnoc1,MCTHPGSMAKAROC-UHFFFAOYSA-N
+rxn:2:77749:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3ccncc3)cc2)c1,BLEZMXMRBQLDAY-UHFFFAOYSA-N
+rxn:2:79379:169739,CCOc1ccc(-c2ccc(C(C)NCCCOc3ncccn3)c(C)c2)cc1C,SQDFOJCZDGCYFU-UHFFFAOYSA-N
+rxn:2:81323:169305,CCCc1nn(CC)cc1NC(C)c1ccc(-c2cc3ccccc3o2)cc1C,LDWKBHUMCYAOTP-UHFFFAOYSA-N
+rxn:2:82511:108959,CC(NCCC#Cc1ccc2[nH]cnc2c1)c1ccc(-c2cccs2)cc1,JUJPTDSORCSXNX-UHFFFAOYSA-N
+rxn:2:83460:172317,CCSc1ccc(-c2ccc(C(CC)NC(CC)c3nnn[nH]3)cc2)cc1,PWGGBCADPGSBAK-UHFFFAOYSA-N
+rxn:2:83887:170060,COCC(NC(C)CCc1ccc(-c2csc(C)c2)cc1)C1CCCO1,QQDZEUIXPVIHNM-UHFFFAOYSA-N
+rxn:2:84164:171426,CCC(NCCSc1n[nH]c(C)n1)c1ccc(-c2cc(C)c(OC)cc2C)s1,BWSBEJNTNZLLNQ-UHFFFAOYSA-N
+rxn:2:86397:171180,CCC(NCCCc1c[nH]c(C)n1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,MNTYYLNYVOAMJT-UHFFFAOYSA-N
+rxn:2:90688:87722,CCOc1ccc(C(C)NCC2CC3CCCC32)cc1C,AQGBITNMECAKDB-UHFFFAOYSA-N
+rxn:2:94256:67686,COc1cccc(C(CN2CC2)NC[C@@H]2C[C@@H]2C(C)C)c1,BZZHDPLPFGVGBT-CTDRKSARSA-N
+rxn:2:95795:110041,Cc1cnc(CCCNC(C)c2csc(-c3ccsc3)c2)cn1,XQBCHGSHTQHSQR-UHFFFAOYSA-N
+rxn:2:98184:78104,CSCC(NC1CCC(C2CC2)C1)c1ccc(C)cc1C,LOVCSGSJUFDMEY-UHFFFAOYSA-N