Added 40 molecules from epoch 19537 for P23977

P23977_molecules.csv

@@ -36649,3 +36649,43 @@ rxn:4:215320:225199,N#Cc1ncc([N+](=O)[O-])cc1-c1cc(F)c(OC2CCCC2)c(F)c1,QVAWVLXOY
 rxn:4:217335:225053,CC1CCCCN1c1ccc(-c2cc3[nH]ncc3cc2[N+](=O)[O-])c(F)c1,UABAFFXIPCSVQB-UHFFFAOYSA-N
 rxn:4:217338:225056,CC1CCCN(c2ccc(-c3cc([N+](=O)[O-])cc4[nH]ncc34)c(F)c2)C1,SDWIMDNPTHXJNU-UHFFFAOYSA-N
 rxn:4:217340:225633,O=[N+]([O-])c1cc(-c2ccc(N3CCCCCC3)nc2)c2[nH]cnc2c1,XOYNXSXJCLKQGG-UHFFFAOYSA-N
+rxn:4:173871:223327,COc1cc(OCC(F)(F)C(F)F)ccc1-c1ccc2nc(C)[nH]c2c1,BFNDAROSNIUDMM-UHFFFAOYSA-N
+rxn:4:180052:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,OJUUZNAZXOFWRH-UHFFFAOYSA-N
+rxn:4:181444:226730,Fc1c(-c2cnc(OC3CCC3)nc2Cl)cccc1C1CC1,KTRLNTQIGCSWMR-UHFFFAOYSA-N
+rxn:4:188113:223242,FC(F)COc1ccc(-c2ccnc(C3CCNC3)c2)nc1,PMQPLHZBIUVMPI-UHFFFAOYSA-N
+rxn:4:188744:228492,COc1cc(-c2c(F)cc(F)c(F)c2F)ccc1C=C[N+](=O)[O-],RQTARDRNIOTHJV-UHFFFAOYSA-N
+rxn:4:188746:228599,COc1ccc(-c2ccc(OCC3CC3(F)F)cn2)cc1C,UBFQYUFYUVZRST-UHFFFAOYSA-N
+rxn:4:189410:224331,CN(Cc1cc(F)cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c1)C1CC1,CXQBDYOKTCQTPW-UHFFFAOYSA-N
+rxn:4:191637:223200,O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CCNC2)cc1,JDVZUXMRWQADJJ-UHFFFAOYSA-N
+rxn:4:192048:227628,O=C(c1cncc(-c2cnc(C3CCC3)nc2Cl)c1)C1CC1,PTCHMAYSCSYLTD-UHFFFAOYSA-N
+rxn:4:193241:224013,O=C(c1ccc(F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2Cl)c1)N1CCOCC1,HTZOGRCVJQUYOW-UHFFFAOYSA-N
+rxn:4:193241:226814,O=C(c1ccc(F)c(-c2cnc(-c3ccco3)nc2Cl)c1)N1CCOCC1,GAFGURDOSQPVRL-UHFFFAOYSA-N
+rxn:4:193304:225321,CCOC(=O)c1cnn2cc(-c3cc(C(C)(C)C)cc(C(C)=O)n3)cnc12,OIYODMIIKSKECP-UHFFFAOYSA-N
+rxn:4:193339:224013,Fc1ccc(CN2CCOCC2)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1Cl,REHOJWUHVINPEW-UHFFFAOYSA-N
+rxn:4:193345:222652,O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cc(F)cc(CN3CCOCC3)c2)cc1,HYQTXVNXEZKUSR-UHFFFAOYSA-N
+rxn:4:193712:223241,O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1ccc(-c2cncc(C3CCNC3)c2)cc1,OFPFJFLSBQOZRW-UHFFFAOYSA-N
+rxn:4:195000:225723,CN(C)CCOc1ccc(-c2ccc(C#N)c(F)c2F)cc1Cl,YERDXWWSYCCPIB-UHFFFAOYSA-N
+rxn:4:195098:223004,Fc1cc(-c2cnc(Cl)cc2C(F)F)ccc1C1CCNCC1,MTXMACFKYQAZMS-UHFFFAOYSA-N
+rxn:4:195195:223004,Fc1cc(-c2ccc(C(F)(F)F)nc2Cl)ccc1C1CCNCC1,JHMBSPLPKRUKTQ-UHFFFAOYSA-N
+rxn:4:195467:226730,Cc1cc(C#N)cc(Cl)c1-c1cnc(OC2CCC2)nc1Cl,RHRWCKMYQSQPQE-UHFFFAOYSA-N
+rxn:4:195704:223131,Cc1c(F)c(-c2ccc(N3CCNCC3)cc2)cc([N+](=O)[O-])c1F,SLDLLBDZVYTJCN-UHFFFAOYSA-N
+rxn:4:195794:223002,Fc1cc(C2CCNCC2)ccc1-c1cc(Cl)c(C2CC2)cn1,AHQKOXJQGRHFHO-UHFFFAOYSA-N
+rxn:4:195810:226729,Fc1c(-c2cnc(OC3CCOC3)nc2)ccnc1C1CC1,YGARSAWXZBUEGC-UHFFFAOYSA-N
+rxn:4:196227:226730,Cc1c(-c2cnc(OC3CCC3)nc2Cl)cncc1C1CC1,PFARMLGBDTYPNS-UHFFFAOYSA-N
+rxn:4:198158:222803,Fc1cc(Cl)ncc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,AQWMVLRGVAOKDI-UHFFFAOYSA-N
+rxn:4:198187:222803,Fc1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c(Cl)c1F,JXWZLGRGSKLOPG-UHFFFAOYSA-N
+rxn:4:198187:222892,COc1cc(N2CCNCC2)ccc1-c1cnc(F)c(F)c1Cl,JZNWOHDCLTXAAC-UHFFFAOYSA-N
+rxn:4:203190:227233,COc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1CC#N,SPPVSVGNMBBYET-UHFFFAOYSA-N
+rxn:4:205045:225688,N#Cc1cc([N+](=O)[O-])cc(-c2cnc(C3CCCCC3)c(Cl)c2)c1F,WAKIMQHPUOUADN-UHFFFAOYSA-N
+rxn:4:205647:228216,Cc1nc(OC2COC2)ncc1-c1cncc(C2CC2)c1Cl,SVVDLECVXIBVRK-UHFFFAOYSA-N
+rxn:4:206044:228230,Clc1cc(-c2cnc(OC3CCCC3)nc2)cnc1C1CC1,CBKVXYCPEWUISY-UHFFFAOYSA-N
+rxn:4:208359:222925,COc1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)n(C)n1,LGCJQXUOOSIWCS-UHFFFAOYSA-N
+rxn:4:209956:225300,N#Cc1c[nH]c2cc(F)c(-c3ccc(OC4CCOCC4)nc3F)cc12,JAYWRWWWQWPLEW-UHFFFAOYSA-N
+rxn:4:211140:222803,FC(F)(F)c1cc(-c2cnc(Cl)cn2)ccc1C1CCNC1,XKKVLGBLBDBVJD-UHFFFAOYSA-N
+rxn:4:211521:222803,FC(F)(F)c1cc(-c2ccc3ccnn3c2Cl)ccc1C1CCNC1,IZWQSMPOYKVKBA-UHFFFAOYSA-N
+rxn:4:211646:222803,Fc1cc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc2[nH]nc(Cl)c12,IGBZBFNYCQIYAA-UHFFFAOYSA-N
+rxn:4:211691:222803,Cc1nc2cc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cnc2o1,DAALFCCWIBHJFW-UHFFFAOYSA-N
+rxn:4:216140:224764,O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cn2)c(F)c1)N1CCOCC1,NLGACPAEVVNWOX-UHFFFAOYSA-N
+rxn:4:222854:206000,COc1ccc(C2CCCNC2)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1,MONQYXMYBCITPM-UHFFFAOYSA-N
+rxn:4:224331:192718,Fc1ccc(CN2CCC2)cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,DQYVMVCWLXWECJ-UHFFFAOYSA-N
+rxn:4:226134:205473,Cc1c(-c2cnc(OC3CCC3)cn2)cc(C#N)cc1C1CC1,NZKVWUUIBPQXQV-UHFFFAOYSA-N