Added 38 molecules from epoch 20840 for P31645

P31645_molecules.csv

@@ -51715,3 +51715,41 @@ rxn:5:198649:223462:229333,Cc1cc(-c2ccc3cc(-c4ccc[se]4)ccc3n2)n[nH]1,WHHGKZIUMUC
 rxn:5:198747:223468:229293,Cc1cc(-c2cnc3ccc(-c4c[nH]cn4)cc3c2)cs1,VIVKAIREAFGIDE-UHFFFAOYSA-N
 rxn:5:199060:223468:229333,Cc1cc2c(-c3c[nH]cn3)ccnc2cc1-c1ccc[se]1,UGFWYRMPDBBISW-UHFFFAOYSA-N
 rxn:5:199096:223468:223468,Cc1cc(-c2c[nH]cn2)nc2ccc(-c3c[nH]cn3)cc12,LEGRCYSHRWDURD-UHFFFAOYSA-N
+rxn:5:179536:229244:229333,Cc1nccc(-c2ccc(OC(C)C)c(-c3ccc[se]3)c2)n1,JTOZZRNWDDDLDY-UHFFFAOYSA-N
+rxn:5:181078:223378:223468,CSc1cc(-c2c[nH]cn2)ccc1-c1cnc2c(c1)NCCO2,ZLENWELDWWPNBW-UHFFFAOYSA-N
+rxn:5:181281:223468:229333,CCc1ccc(-c2c[nH]cn2)cc1-c1ccc[se]1,BUBDDEGVTMMZBH-UHFFFAOYSA-N
+rxn:5:181408:229231:223468,CCc1ncc(-c2ccc(-c3c[nH]cn3)cc2C2CC2)s1,LTEKYABZRNEFHW-UHFFFAOYSA-N
+rxn:5:181418:229313:223468,COc1cc(-c2cc(C)ns2)c(C)cc1-c1c[nH]cn1,GKDMJCOMDJNLOU-UHFFFAOYSA-N
+rxn:5:182502:223367:229333,Cc1cc(-c2cnc3[nH]ccc3c2F)ccc1-c1ccc[se]1,LWMDWOIHQYEYEP-UHFFFAOYSA-N
+rxn:5:182582:228882:229333,COc1ncc(-c2cc(C)cc(-c3ccc[se]3)c2C)c(C)n1,JRNFZAFFXLURQX-UHFFFAOYSA-N
+rxn:5:182819:223457:229333,Cc1cc(-c2ccc3ccc(-c4ccc[se]4)cc3c2)[nH]n1,VTKYEAWIPBFGOL-UHFFFAOYSA-N
+rxn:5:195299:228141:229333,CCCc1cc(F)c(-c2cnc(-c3ccc[se]3)c(OC)c2)cn1,ZMGUZGHLAXTUET-UHFFFAOYSA-N
+rxn:5:195302:223421:229333,CNC(C)c1ccc(-c2cc(-c3ccc[se]3)ncc2OC)s1,GQMKIQFOBRNNBN-UHFFFAOYSA-N
+rxn:5:195308:228683:229333,CCCc1ncc(-c2ccc(-c3ccc[se]3)c(OC)n2)cn1,KEJNKUXIIXIKHR-UHFFFAOYSA-N
+rxn:5:195315:228882:229335,COc1ncc(-c2cnc(-c3cscn3)cc2OC)c(C)n1,SFHTXJJYHKYOEA-UHFFFAOYSA-N
+rxn:5:195316:228313:229333,COc1ccc(-c2ccc(-c3ccc[se]3)nc2OC)c(OC)n1,UNNXIKHPFMQMME-UHFFFAOYSA-N
+rxn:5:195316:228550:229333,CCCc1cc(-c2ccc(-c3ccc[se]3)nc2OC)ccn1,ZMVLIROJIZFLOW-UHFFFAOYSA-N
+rxn:5:195319:223421:229333,CNC(C)c1ccc(-c2c(OC)ccnc2-c2ccc[se]2)s1,IZTDRHOZLUYOGD-UHFFFAOYSA-N
+rxn:5:195364:223421:229333,CNC(C)c1ccc(-c2cncc(-c3ccc[se]3)c2OC)s1,OJSCJFPOMWTEIS-UHFFFAOYSA-N
+rxn:5:195365:223421:229333,CNC(C)c1ccc(-c2cc(-c3ccc[se]3)cnc2SC)s1,WIYASIJCNTUIMG-UHFFFAOYSA-N
+rxn:5:195525:229333:228865,CCOc1cnc(-c2cc(CC)c(-c3ccc[se]3)cn2)cn1,WWMFWXYQYXHSRC-UHFFFAOYSA-N
+rxn:5:195525:229333:228882,CCc1cc(-c2cnc(OC)nc2C)ncc1-c1ccc[se]1,FZHIBCZWDRXJLJ-UHFFFAOYSA-N
+rxn:5:195608:223397:227868,Cc1cc(-c2ccc3c(c2)CCN3)c(-c2ccc3c(c2)OCCC3)c([N+](=O)[O-])c1,ZFZSGQTYKVSCJI-UHFFFAOYSA-N
+rxn:5:195797:229100:223464,CSc1cc(-c2ccnc(C)c2F)c(C)nc1-c1cc[nH]c1,IUQRQPLUTIXXLT-UHFFFAOYSA-N
+rxn:5:198120:223314:229333,Cc1c(-c2ccc(-c3ccc[se]3)nc2)ccc2[nH]ncc12,OYSFDTBAGGDOFO-UHFFFAOYSA-N
+rxn:5:198226:229018:229343,Cc1cc(-c2ccsn2)cnc1-c1c(C)ccnc1C,JKTGUNJNPSCGSN-UHFFFAOYSA-N
+rxn:5:198227:222416:229333,Cc1nc(-c2ccc[se]2)ccc1-c1ccc2[nH]c(=O)[nH]c2c1,YBBMTYBCWMVPCI-UHFFFAOYSA-N
+rxn:5:198230:228995:229335,CCc1cncc(-c2cnc(-c3cscn3)cc2C)c1,VRLRJLABCGXUSF-UHFFFAOYSA-N
+rxn:5:198322:228737:229333,COc1ccc(-c2cc(C)c(-c3ccc[se]3)c(C)n2)c(C)n1,HEQSCURJSQGGFA-UHFFFAOYSA-N
+rxn:5:198322:229020:229333,Cc1cc(-c2cc(C)c(-c3ccc[se]3)c(C)n2)cc(C)n1,RWJIRJPEWZUZIC-UHFFFAOYSA-N
+rxn:5:198326:229159:229335,COc1ncc(-c2cc(C)c(-c3cscn3)nc2C)cn1,ACKYAWGIHFLONM-UHFFFAOYSA-N
+rxn:5:198327:229159:229335,COc1ncc(-c2nc(C)c(-c3cscn3)cc2C)cn1,WJKBMMDCYPVUDW-UHFFFAOYSA-N
+rxn:5:198328:229333:228756,CSc1ccc(-c2ncc(-c3ccc[se]3)c(C)c2C)c(C)n1,LAQVLVONXYNTRV-UHFFFAOYSA-N
+rxn:5:198328:229333:228761,COc1cc(-c2ncc(-c3ccc[se]3)c(C)c2C)cnc1C,SGYFREOJRZCSIN-UHFFFAOYSA-N
+rxn:5:198640:223461:229333,Cc1[nH]ncc1-c1ccc2c(-c3ccc[se]3)nccc2c1,CBUWACJKCXLXFU-UHFFFAOYSA-N
+rxn:5:198665:223462:229333,Cc1cc(-c2cc3ccc(-c4ccc[se]4)cc3cn2)n[nH]1,KBNCXJGWHMOXTP-UHFFFAOYSA-N
+rxn:5:198747:223468:229289,Cc1cscc1-c1cnc2ccc(-c3c[nH]cn3)cc2c1,ZKPHUSFVTCAZCZ-UHFFFAOYSA-N
+rxn:5:198747:223468:229290,Cc1sccc1-c1cnc2ccc(-c3c[nH]cn3)cc2c1,ODRJUXKEIZXNFI-UHFFFAOYSA-N
+rxn:5:199062:223467:229333,Cc1c(-c2ccc[se]2)ccc2c(-c3ncc[nH]3)ccnc12,WTVAKDNJQAIRFB-UHFFFAOYSA-N
+rxn:5:199082:223468:229330,Cc1cc2ccc(-c3c[nH]cn3)cc2nc1-c1ccsc1,MPHRNMIDBXDYCP-UHFFFAOYSA-N
+rxn:5:199105:223468:229332,Cc1nc(-c2ccoc2)cc2ccc(-c3c[nH]cn3)cc12,SLYFLRHMIPBDQQ-UHFFFAOYSA-N