Added 36 molecules from epoch 20654 for P31652

P31652_molecules.csv

@@ -59980,3 +59980,39 @@ rxn:2:79829:71276,CSC[C@H]1CC[C@@H](NC(C)c2cnc3[nH]ncc3c2)C1,JBSDDEYDGKAOGX-SAQK
 rxn:2:81039:95192,O=c1[nH]ccc2ncc(NC3CCC4(CSC4)C3)cc12,SVXRZJFGHMRROH-UHFFFAOYSA-N
 rxn:2:95046:92027,CC(Nc1nc2nccnc2[nH]1)c1csc(-c2ccco2)c1,QWHRRFMNUDAQEX-UHFFFAOYSA-N
 rxn:2:99234:144730,C[Se]c1ccc(NC(C)c2cnc3nccnc3c2C)cc1,MJMCVSYFBIKIBY-UHFFFAOYSA-N
+rxn:2:101379:71586,COc1ccnc2c(NC3CC(c4ccsc4)C3)c[nH]c12,PGDQJQNYQBHSNW-UHFFFAOYSA-N
+rxn:2:104234:131923,CC1(C)CC(Nc2ccc(-c3ccc[nH]3)cn2)CC1(C)C,CZFHMWKKOARGIA-UHFFFAOYSA-N
+rxn:2:110091:112875,Cc1cn2nc(NC3CC(C#Cc4cccs4)C3)nc2cn1,OWYAQJGYLWDDLT-UHFFFAOYSA-N
+rxn:2:110094:112875,Cc1c(NC2CC(C#Cc3cccs3)C2)cc2[nH]cnc2c1C,DGBBPLVOAWRJJK-UHFFFAOYSA-N
+rxn:2:110389:123060,CSC1CCC(Nc2cc(-c3cn[nH]c3C)n[nH]2)C1,JTBLIOFOINXCHE-UHFFFAOYSA-N
+rxn:2:111118:70252,Cc1cc(NC(C)c2cnc3ncsc3c2)cc2scnc12,YZJYZAVCTLCOGK-UHFFFAOYSA-N
+rxn:2:112606:121109,C[C@@H]1CC(Nc2c[nH]c3cnnc-3c2)c2ccccc21,FKVJWISNYMFVAQ-IAPIXIRKSA-N
+rxn:2:115653:88023,Cc1ncc(-c2nn(C)c(NC(C)c3cc[se]c3)c2C)s1,LGNXJQIGAFIXJF-UHFFFAOYSA-N
+rxn:2:115821:109568,CSCC(Nc1ccc2sncc2c1)c1cncnc1,PWFSHRJIRFPZQD-UHFFFAOYSA-N
+rxn:2:115821:78863,CC1CC(Nc2ccc3sncc3c2)c2ccncc21,QQPXNLRMHXRRCJ-UHFFFAOYSA-N
+rxn:2:119113:74804,Cc1[nH]ccc2c(NC3CCC4(CC3)CC4)cnc1-2,XRHUKNUHHTUOQX-UHFFFAOYSA-N
+rxn:2:120344:137914,CSCCC1CC(Nc2cc3[nH]ccc3c(C)n2)C1,YRQAMMQYALXXOO-UHFFFAOYSA-N
+rxn:2:121704:142194,CCc1nnc(NC(C)c2ccc3n[se]nc3c2)cc1C,OZLBEZDGIOZSPG-UHFFFAOYSA-N
+rxn:2:127634:87539,Cc1cc(C(C)Nc2ncnc3c2Cc2nc[nH]c2C3)cs1,UHAWJDOUMAOTMK-UHFFFAOYSA-N
+rxn:2:127845:123166,Cc1nc2c(s1)C(Nc1cc(C)c3[nH]cnc3c1)CCC2,WQWRXTUVMANEHU-UHFFFAOYSA-N
+rxn:2:136515:99104,Cc1nc2ccc(NC3CCc4ncsc4C3)c(C)c2s1,WYYMDZQGAYSLFB-UHFFFAOYSA-N
+rxn:2:137905:71586,c1cc2[nH]cc(NC3CC(c4ccsc4)C3)c2cn1,YBZVQHDKKDQYPL-UHFFFAOYSA-N
+rxn:2:137930:109568,CSCC(Nc1cc(-c2ccsc2)n[nH]1)c1cncnc1,OJGWESJBVHRYMF-UHFFFAOYSA-N
+rxn:2:139108:98900,CSCCCC(C)Nc1cnc2c(C)cncc2c1,UMELUPDSHPPCGC-UHFFFAOYSA-N
+rxn:2:139661:128881,Cc1nc2ccncc2cc1NC1C[C@@H]2[C@H](C1)C2(C)C,HVNPYXHXQNQYMV-AGUYFDCRSA-N
+rxn:2:140113:71450,Cc1nc2nsnc2cc1NC1CCC(C)c2ccsc21,NDRKFQQODJETRZ-UHFFFAOYSA-N
+rxn:2:140113:93259,Cc1nc2nsnc2cc1NC1CC(C)Cc2[nH]ccc21,YKXLGVLAACODOZ-UHFFFAOYSA-N
+rxn:2:140610:118358,Cc1ncc2c(NC(C)c3cc4sccc4[nH]3)c[nH]c2n1,SVXCKPCPUYGEGP-UHFFFAOYSA-N
+rxn:2:152048:108573,Cc1c(NC2CC3CCC(C2)S3)cc(C)c2c(=O)[nH]ccc12,BDTKHNPRRFFGTI-UHFFFAOYSA-N
+rxn:2:154904:97398,Cc1cc(C)cc(-n2cccc(NC3CCC4CC43)c2=O)c1,CBYUKQYOCDMCIU-UHFFFAOYSA-N
+rxn:2:68773:94441,CCC(Nc1n[nH]c2nc(SC)ncc12)c1ccsc1C,XQMRAHXZOXOJTF-UHFFFAOYSA-N
+rxn:2:69139:142194,COc1cc(NC(C)c2ccc3n[se]nc3c2)nnc1OC,CRSMQGGJSBXPNI-UHFFFAOYSA-N
+rxn:2:73771:76064,Cc1csc2c1C(Nc1cc(-c3cc[nH]c3)cc(=O)[nH]1)CC2,ZLIWEKISRSQJMO-UHFFFAOYSA-N
+rxn:2:74821:66486,Cc1cc(NC2c3cc[nH]c3CC2C)c2nsnc2c1,PGPWXUFTCFSYAI-UHFFFAOYSA-N
+rxn:2:76160:137914,CSCCC1CC(Nc2c[nH]c3ccnc(C)c23)C1,MKTUXZKKLNEWGW-UHFFFAOYSA-N
+rxn:2:77967:70252,CC(Nc1ccc2c(c1)SCC2)c1cnc2ncsc2c1,RHVOEBFBOQMXJO-UHFFFAOYSA-N
+rxn:2:78560:71323,COc1cc(NC(C)c2ccc3nscc3c2)cnn1,YYUQSOUUTFQPCB-UHFFFAOYSA-N
+rxn:2:86954:66762,CSCc1ncc(C(C)Nc2ccnc3[nH]c(C)cc23)s1,APIVOXXGNUEXRX-UHFFFAOYSA-N
+rxn:2:87328:96265,COc1cc2c(cc1NC1CC(SC)C1)CN(C)C2,BSMOUWBMRXZHAM-UHFFFAOYSA-N
+rxn:2:89687:93522,COc1cc(NC2CC3CSCC3C2)cn2c(C)nnc12,OWNPYDIXZWIBJE-UHFFFAOYSA-N
+rxn:2:96968:108204,C(#Cc1cc2cn[nH]c2cn1)CNC1CCc2cscc2C1,KNTGEERHOQMSQK-UHFFFAOYSA-N