Added 46 molecules from epoch 21834 for P23977

P23977_molecules.csv

@@ -48796,3 +48796,49 @@ rxn:5:198129:229331:223199,Cc1sc(-c2cccc(C3CCNC3)c2)nc1-c1cccs1,GEQDPVCJLJJYPF-U
 rxn:5:198199:229236:223421,CNC(C)c1ccc(-c2ccc(-c3cc(OC)cs3)c[n+]2[O-])s1,XNDOXAUUSGLMIZ-UHFFFAOYSA-N
 rxn:5:198199:229320:223311,[O-][n+]1cc(-c2cc(F)cs2)ccc1-c1cccc(C2CNC2)c1,CKJKYVVSSBCPOP-UHFFFAOYSA-N
 rxn:5:198199:229331:228140,CC(c1ccc(-c2ccc(-c3cccs3)c[n+]2[O-])s1)N(C)C,PGIXVDFKIIQQGH-UHFFFAOYSA-N
+rxn:5:176759:223400:229205,CCc1csc(-c2ccc(-c3cccc(CNC)c3)c(CCOC)c2)c1,URMNRMTXSRCKKR-UHFFFAOYSA-N
+rxn:5:176763:229320:223312,CCOCc1cc(-c2cc(F)cs2)ccc1-c1ccc(C2CNC2)cc1,NSDWYWPLBLYLJM-UHFFFAOYSA-N
+rxn:5:177284:229338:223400,CNCc1cccc(-c2ccc(-c3ccns3)cc2COC(C)C)c1,BYXUKIKQMAHUPU-UHFFFAOYSA-N
+rxn:5:179177:228692:229313,CO/C=C/c1cc(-c2cc(C)ns2)ccc1-c1ccc(CN(C)C)s1,DKIXBOFARSLUDV-MDZDMXLPSA-N
+rxn:5:181497:229317:223311,Fc1ccc(-c2ccc(-c3ccc(-c4cccc(C5CNC5)c4)cc3)o2)s1,ACDCOOZRERJWHJ-UHFFFAOYSA-N
+rxn:5:182442:223307:229217,Fc1ccc(-c2ccc(-c3ccc4c(c3)CCNC4)cc2)cc1,OYSGCLDRQOXALE-UHFFFAOYSA-N
+rxn:5:182442:227132:223311,c1cc(-c2ccc(-c3ccc(-c4ccsc4)cc3)cc2)cc(C2CNC2)c1,MXOZFQJXAMDDKZ-UHFFFAOYSA-N
+rxn:5:182500:223398:229339,CNCc1ccc(-c2ccc(-c3nccs3)cc2C)cc1,FMHNNVCUSMQRNV-UHFFFAOYSA-N
+rxn:5:182500:223421:229294,CNC(C)c1ccc(-c2ccc(-c3coc(C)c3)cc2C)s1,YIUBIRPKKOKTSL-UHFFFAOYSA-N
+rxn:5:182502:228674:223311,Cc1cc(-c2cnc3sccc3c2)ccc1-c1cccc(C2CNC2)c1,KJBTWRFFRWJQAG-UHFFFAOYSA-N
+rxn:5:182575:223311:229077,CSc1ccc(-c2cc(C)c(-c3cccc(C4CNC4)c3)c(C)c2)cn1,BOGBVKRJBARELJ-UHFFFAOYSA-N
+rxn:5:182641:223311:229002,COc1ccc(-c2ccc3c(-c4cccc(C5CNC5)c4)coc3c2)cc1,WSFSWEWXBMSMEX-UHFFFAOYSA-N
+rxn:5:182647:228692:229344,CN(C)Cc1ccc(-c2cc3ccc(-c4cocn4)cc3s2)s1,AUGFGKLSBVLFJN-UHFFFAOYSA-N
+rxn:5:182892:229227:223399,CNCc1ccccc1C1CCc2cc(-c3csc(C#N)c3)ccc21,NGGAEECYKFDUGO-UHFFFAOYSA-N
+rxn:5:182892:229271:223399,CNCc1ccccc1C1CCc2cc(-c3cc(OC)ns3)ccc21,PJDNWKQRNVGCHJ-UHFFFAOYSA-N
+rxn:5:182892:229294:223201,Cc1cc(-c2ccc3c(c2)CCC3c2ccccc2C2CCNC2)co1,SZSMJIHSSOBVIK-UHFFFAOYSA-N
+rxn:5:182892:229309:223399,CNCc1ccccc1C1CCc2cc(-c3cnc(C)o3)ccc21,NURFATVIFOQYTD-UHFFFAOYSA-N
+rxn:5:182892:229331:223399,CNCc1ccccc1C1CCc2cc(-c3cccs3)ccc21,FALWXQJYKNBHJH-UHFFFAOYSA-N
+rxn:5:182892:229335:223399,CNCc1ccccc1C1CCc2cc(-c3cscn3)ccc21,PZYHQWJAIZQWMH-UHFFFAOYSA-N
+rxn:5:191339:223199:229293,Cc1cc(-c2ccc(-c3cccc(C4CCNC4)c3)c(CC#N)c2)cs1,FYBSZCPEGBSKGE-UHFFFAOYSA-N
+rxn:5:192424:223311:229330,c1cc(-c2ccc(Oc3ccc(-c4ccsc4)cn3)cc2)cc(C2CNC2)c1,CGPLSLOAXFNWTN-UHFFFAOYSA-N
+rxn:5:192492:228518:229134,CC#Cc1ccc(-c2ccc(CN(C)C)cc2-c2cc(F)ccc2F)cc1,DUKOXKOHQNLUPL-UHFFFAOYSA-N
+rxn:5:192492:229226:228811,CSc1ccc(F)c(-c2cc(CN(C)C)ccc2-c2ccc(C#N)s2)c1,MOGKKKLTUFNXES-UHFFFAOYSA-N
+rxn:5:193681:228980:229342,C#Cc1cccc(-c2ccc(-c3cnsc3)c(OC3CCN(C)CC3)c2)c1,ZUQVSOZHIGERTC-UHFFFAOYSA-N
+rxn:5:193681:229331:229236,COc1csc(-c2ccc(-c3cccs3)cc2OC2CCN(C)CC2)c1,BOSBUTROOMGTCJ-UHFFFAOYSA-N
+rxn:5:193681:229337:228473,CN1CCC(Oc2cc(-c3cnco3)ccc2-c2cc([N+](=O)[O-])ccc2F)CC1,IOPWIEIFOUGADX-UHFFFAOYSA-N
+rxn:5:193681:229338:229196,CN1CCC(Oc2cc(-c3ccns3)ccc2-c2cnc(F)cc2F)CC1,OEPRRXGAOQKBIU-UHFFFAOYSA-N
+rxn:5:193681:229338:229285,CN1CCC(Oc2cc(-c3ccns3)ccc2-c2cccn2C)CC1,SOTCOMQQEFYFHJ-UHFFFAOYSA-N
+rxn:5:193681:229345:229131,CN1CCC(Oc2cc(-c3ccno3)ccc2-c2ccc(F)cc2F)CC1,KUBZWWMQVVDICM-UHFFFAOYSA-N
+rxn:5:195908:229320:223200,Fc1csc(-c2cnc(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)s2)c1,FWROKFYODZAJLE-UHFFFAOYSA-N
+rxn:5:198084:223200:229227,N#Cc1cc(-c2ncc(-c3ccc(C4CCNC4)cc3)s2)cs1,KLSOGCHMSYRYKL-UHFFFAOYSA-N
+rxn:5:198084:227023:229317,CC(c1ccc(-c2cnc(-c3ccc(F)s3)s2)cc1)N(C)C,QTBLPRGEDXJUPK-UHFFFAOYSA-N
+rxn:5:198084:229314:223312,Cc1ncsc1-c1cnc(-c2ccc(C3CNC3)cc2)s1,PLMIETZTJPQTTO-UHFFFAOYSA-N
+rxn:5:198085:223200:229287,Cc1ccsc1-c1cnc(-c2ccc(C3CCNC3)cc2)s1,CQRQKAJIQAONGI-UHFFFAOYSA-N
+rxn:5:198085:223311:229291,Cc1csc(-c2cnc(-c3cccc(C4CNC4)c3)s2)c1,WDJSHQGKSYIQCJ-UHFFFAOYSA-N
+rxn:5:198085:223311:229293,Cc1cc(-c2cnc(-c3cccc(C4CNC4)c3)s2)cs1,XFHYKPZBRGPLCY-UHFFFAOYSA-N
+rxn:5:198085:223312:229291,Cc1csc(-c2cnc(-c3ccc(C4CNC4)cc3)s2)c1,GTNJFHXQPHCBRQ-UHFFFAOYSA-N
+rxn:5:198085:223312:229344,c1nc(-c2cnc(-c3ccc(C4CNC4)cc3)s2)co1,YOHGKPZITQIHQN-UHFFFAOYSA-N
+rxn:5:198087:228980:223312,C#Cc1cccc(-c2csc(-c3ccc(C4CNC4)cc3)n2)c1,MOKXNOZETDMRKI-UHFFFAOYSA-N
+rxn:5:198120:222959:229332,Cc1cc(-c2ccc(-c3ccoc3)nc2)ccc1C1CCNCC1,GFNHAZFZKONBED-UHFFFAOYSA-N
+rxn:5:198122:229227:223464,N#Cc1cc(-c2ccc(-c3cc[nH]c3)cn2)cs1,RQEZTQMNUTVEJU-UHFFFAOYSA-N
+rxn:5:198230:223421:229317,CNC(C)c1ccc(-c2cnc(-c3ccc(F)s3)cc2C)s1,XVMYTNQMJKMFCM-UHFFFAOYSA-N
+rxn:5:198406:229331:223312,c1csc(-c2ccc3nc(-c4ccc(C5CNC5)cc4)oc3c2)c1,ZZZKGQKRJVPETK-UHFFFAOYSA-N
+rxn:5:198438:223199:229330,c1cc(-c2nc3ccc(-c4ccsc4)cc3o2)cc(C2CCNC2)c1,TWLMKFKOKJLWRE-UHFFFAOYSA-N
+rxn:5:198438:223200:229338,c1cc(-c2ccc3nc(-c4ccc(C5CCNC5)cc4)oc3c2)sn1,ZHRWSWNFOWZVEF-UHFFFAOYSA-N
+rxn:5:198438:223200:229344,c1nc(-c2ccc3nc(-c4ccc(C5CCNC5)cc4)oc3c2)co1,LHFKQHJZFZRRPW-UHFFFAOYSA-N