Added 45 molecules from epoch 21787 for P23977

P23977_molecules.csv

@@ -46767,3 +46767,48 @@ rxn:5:198122:223312:229331,c1csc(-c2ccc(-c3ccc(C4CNC4)cc3)nc2)c1,RQGOVGIMYMIWQZ-
 rxn:5:198230:223312:229317,Cc1cc(-c2ccc(F)s2)ncc1-c1ccc(C2CNC2)cc1,MNBDLQUWDGJTTL-UHFFFAOYSA-N
 rxn:5:198438:223200:229335,c1nc(-c2ccc3nc(-c4ccc(C5CCNC5)cc4)oc3c2)cs1,VGZWBGBSASGDSG-UHFFFAOYSA-N
 rxn:5:198451:223312:229330,c1cc(-c2ccc(-c3ccc(C4CNC4)cc3)c3cnoc23)cs1,HAFRJCVPRSKTCV-UHFFFAOYSA-N
+rxn:5:179184:229342:223400,CNCc1cccc(-c2ccc(-c3cnsc3)cc2OC2CC2)c1,KFSXJLYBBGXTQU-UHFFFAOYSA-N
+rxn:5:180882:223312:229345,C#Cc1cc(-c2ccc(C3CNC3)cc2)ccc1-c1ccno1,MCDDMIMDRNSBMI-UHFFFAOYSA-N
+rxn:5:180882:229294:223311,C#Cc1cc(-c2coc(C)c2)ccc1-c1cccc(C2CNC2)c1,NODNOMSKZGSDGS-UHFFFAOYSA-N
+rxn:5:181497:229330:223311,c1cc(-c2ccc(-c3ccc(-c4ccsc4)o3)cc2)cc(C2CNC2)c1,FMHKERPTRBCODR-UHFFFAOYSA-N
+rxn:5:182442:223307:229320,Fc1csc(-c2ccc(-c3ccc4c(c3)CCNC4)cc2)c1,LBZJJPIDYOBHGF-UHFFFAOYSA-N
+rxn:5:182442:223311:223466,c1cc(-c2ccc(-c3cn[nH]c3)cc2)cc(C2CNC2)c1,ROYFYZPZXKLNFL-UHFFFAOYSA-N
+rxn:5:182442:223312:229054,COCc1cc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)cs1,LZNSWVKOHDVENK-UHFFFAOYSA-N
+rxn:5:182442:223312:229079,c1cc(-c2csc(C3CC3)n2)ccc1-c1ccc(C2CNC2)cc1,XCIRYOTWHZWIBQ-UHFFFAOYSA-N
+rxn:5:182442:223464:228999,C#Cc1cncc(-c2ccc(-c3cc[nH]c3)cc2)c1,WUZBHIWCDSVCJY-UHFFFAOYSA-N
+rxn:5:182442:229230:223312,N#Cc1csc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)c1,CGDXVJFRPZPSPO-UHFFFAOYSA-N
+rxn:5:182500:223312:229335,Cc1cc(-c2cscn2)ccc1-c1ccc(C2CNC2)cc1,JTEIGWPJHFGPIJ-UHFFFAOYSA-N
+rxn:5:182500:223421:229331,CNC(C)c1ccc(-c2ccc(-c3cccs3)cc2C)s1,QXBMRYDYBSJJEW-UHFFFAOYSA-N
+rxn:5:182500:229286:228980,C#Cc1cccc(-c2ccc(-c3ccn(C)c3)c(C)c2)c1,WJDXDXOHAGPEAW-UHFFFAOYSA-N
+rxn:5:182502:223312:229342,Cc1cc(-c2ccc(C3CNC3)cc2)ccc1-c1cnsc1,VMANWPOJPSXJOL-UHFFFAOYSA-N
+rxn:5:182641:229317:223312,Fc1ccc(-c2coc3cc(-c4ccc(C5CNC5)cc4)ccc23)s1,HCKGADOOBGGXBA-UHFFFAOYSA-N
+rxn:5:182641:229320:223312,Fc1csc(-c2coc3cc(-c4ccc(C5CNC5)cc4)ccc23)c1,PYPIPIGRVVCVHO-UHFFFAOYSA-N
+rxn:5:182647:223311:229294,Cc1cc(-c2ccc3cc(-c4cccc(C5CNC5)c4)sc3c2)co1,SJOGCHARDNJXHE-UHFFFAOYSA-N
+rxn:5:182647:223454:223464,O=c1[nH]cccc1-c1cc2ccc(-c3cc[nH]c3)cc2s1,QIHRJMKXSOOXNK-UHFFFAOYSA-N
+rxn:5:182647:228999:223464,C#Cc1cncc(-c2cc3ccc(-c4cc[nH]c4)cc3s2)c1,HTWQJCNZKDEIPV-UHFFFAOYSA-N
+rxn:5:182647:229132:223464,Fc1ccc(-c2cc3ccc(-c4cc[nH]c4)cc3s2)cc1F,NNSACPXJTWEWLF-UHFFFAOYSA-N
+rxn:5:192492:228518:229031,CC#Cc1ccc(-c2ccc(CN(C)C)cc2-c2ccc(C)cc2F)cc1,AAMHIRKUSLXIEU-UHFFFAOYSA-N
+rxn:5:193681:223465:229134,CN1CCC(Oc2cc(-c3ccn[nH]3)ccc2-c2cc(F)ccc2F)CC1,APWKDZLKOOLXTH-UHFFFAOYSA-N
+rxn:5:193681:229227:229218,CN1CCC(Oc2cc(-c3csc(C#N)c3)ccc2-c2cccc(F)c2)CC1,ZTFOQBBXNYYGSK-UHFFFAOYSA-N
+rxn:5:193681:229227:229288,Cc1ccc(-c2ccc(-c3csc(C#N)c3)cc2OC2CCN(C)CC2)s1,ZMOSJBPQUUJQBC-UHFFFAOYSA-N
+rxn:5:193681:229334:228945,CN1CCC(Oc2cc(-c3cnoc3)ccc2-c2c(F)ccc(F)c2F)CC1,LVNDSLGLQBURDZ-UHFFFAOYSA-N
+rxn:5:193681:229337:229282,CN1CCC(Oc2cc(-c3cnco3)ccc2-c2ccccc2)CC1,LMGRKAIFDSUENP-UHFFFAOYSA-N
+rxn:5:193681:229338:229230,CN1CCC(Oc2cc(-c3ccns3)ccc2-c2cc(C#N)cs2)CC1,DKZGDGVLTHQSJA-UHFFFAOYSA-N
+rxn:5:193681:229338:229233,COc1ccc(-c2ccc(-c3ccns3)cc2OC2CCN(C)CC2)s1,HOCIYFLVLMOAEP-UHFFFAOYSA-N
+rxn:5:198084:222998:229317,Fc1cc(-c2cnc(-c3ccc(F)s3)s2)cc(C2CCCNC2)c1,AZTQAYNEOVJKLV-UHFFFAOYSA-N
+rxn:5:198084:228980:223311,C#Cc1cccc(-c2cnc(-c3cccc(C4CNC4)c3)s2)c1,MDJHLIWNMWLMCY-UHFFFAOYSA-N
+rxn:5:198085:223200:229335,c1nc(-c2cnc(-c3ccc(C4CCNC4)cc3)s2)cs1,GKUGINQWYJIHJA-UHFFFAOYSA-N
+rxn:5:198085:223200:229338,c1cc(-c2cnc(-c3ccc(C4CCNC4)cc3)s2)sn1,GSIHCIKFRANJIK-UHFFFAOYSA-N
+rxn:5:198085:223200:229344,c1nc(-c2cnc(-c3ccc(C4CCNC4)cc3)s2)co1,LKRPKUKLUATYSY-UHFFFAOYSA-N
+rxn:5:198120:223199:229320,Fc1csc(-c2ccc(-c3cccc(C4CCNC4)c3)cn2)c1,DCNDOSRSQXKOBM-UHFFFAOYSA-N
+rxn:5:198120:223311:229206,CCc1cc(-c2ccc(-c3cccc(C4CNC4)c3)cn2)cs1,PYAADZUCQDSWHY-UHFFFAOYSA-N
+rxn:5:198120:223311:229288,Cc1ccc(-c2ccc(-c3cccc(C4CNC4)c3)cn2)s1,MRKZGHQHUUAFQQ-UHFFFAOYSA-N
+rxn:5:198120:223311:229294,Cc1cc(-c2ccc(-c3cccc(C4CNC4)c3)cn2)co1,VADAXBPXFZSZMK-UHFFFAOYSA-N
+rxn:5:198120:223312:229236,COc1csc(-c2ccc(-c3ccc(C4CNC4)cc3)cn2)c1,BXWAYQVDRQVRJD-UHFFFAOYSA-N
+rxn:5:198120:223312:229292,Cc1occc1-c1ccc(-c2ccc(C3CNC3)cc2)cn1,KRWSLZNMSLVUMB-UHFFFAOYSA-N
+rxn:5:198122:223311:228999,C#Cc1cncc(-c2ccc(-c3cccc(C4CNC4)c3)nc2)c1,XIMGAEBRZHNYQF-UHFFFAOYSA-N
+rxn:5:198122:223311:229226,N#Cc1ccc(-c2ccc(-c3cccc(C4CNC4)c3)nc2)s1,ZXLDNTUTUJZUTO-UHFFFAOYSA-N
+rxn:5:198122:223311:229234,CSc1ccc(-c2ccc(-c3cccc(C4CNC4)c3)nc2)s1,XYWIJGKOMMNDSO-UHFFFAOYSA-N
+rxn:5:198122:223312:229230,N#Cc1csc(-c2ccc(-c3ccc(C4CNC4)cc3)nc2)c1,NCZZMFMPOIYCEF-UHFFFAOYSA-N
+rxn:5:198227:223311:229226,Cc1nc(-c2ccc(C#N)s2)ccc1-c1cccc(C2CNC2)c1,JVHCTCXSPGOJDS-UHFFFAOYSA-N
+rxn:5:198406:229342:223200,c1cc2nc(-c3ccc(C4CCNC4)cc3)oc2cc1-c1cnsc1,WWWCHMYIKFOAPL-UHFFFAOYSA-N