Added 37 molecules from epoch 19535 for P23977

P23977_molecules.csv

@@ -36574,3 +36574,40 @@ rxn:4:208143:225684,Cc1nc(C2CCOCC2)ccc1-c1cncc([N+](=O)[O-])c1Cl,HINVWHJDXXKZFF-
 rxn:4:209731:228470,O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C3CCCCC3)nn2)c1,DDWNSSHJOMIGLW-UHFFFAOYSA-N
 rxn:4:209970:225201,O=[N+]([O-])c1cc(-c2ccc(OC3CCCC3)c(F)c2F)cc2[nH]ccc12,HYJONWLHLYZZIW-UHFFFAOYSA-N
 rxn:4:211268:222803,Cc1nc(Cl)nc(C)c1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,DCLHUTJSKLIFOQ-UHFFFAOYSA-N
+rxn:4:175943:223242,CCCCc1ccc(-c2ccc(-c3ccnc(C4CCNC4)c3)cc2)c(F)c1,NFSXGWMTSYQDMG-UHFFFAOYSA-N
+rxn:4:176958:223199,c1cc(-c2ccc(OCC3CC3)cc2)cc(C2CCNC2)c1,MSSSGWQQXKLFMK-UHFFFAOYSA-N
+rxn:4:181016:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)c(Cl)cc1C(F)(F)F,ZKXQDRPDTFSIBG-UHFFFAOYSA-N
+rxn:4:181286:226025,CCc1ccc(-c2cnc(OC3CCOC3)nc2Cl)cc1F,KBFRMGRKAWVFID-UHFFFAOYSA-N
+rxn:4:181357:223240,CC(F)(F)c1ccc(-c2ccc(C3CCNC3)nc2)cc1F,IALRGARZNCYBCI-UHFFFAOYSA-N
+rxn:4:181554:226730,CC(=O)c1cc(-c2cnc(OC3CCC3)nc2Cl)cc(C)c1F,RLNDDEMRMNCVFV-UHFFFAOYSA-N
+rxn:4:186406:225315,O=C(c1cc(OC(F)(F)F)cc(-c2cnc(-c3ccccc3F)nc2Cl)c1)N1CCC1,UAYKDLXWSBTJMR-UHFFFAOYSA-N
+rxn:4:192841:223000,Fc1cc(-c2cc(Cl)c(-c3ccc(C(F)(F)F)cc3)cn2)ccc1C1CCCNC1,KACOCRGZKWRLNW-UHFFFAOYSA-N
+rxn:4:195039:222803,O=[N+]([O-])c1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1,NDNUVDJDBDQRGZ-UHFFFAOYSA-N
+rxn:4:195081:223002,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)ccc1F,KCBBBQRHYNRYMH-UHFFFAOYSA-N
+rxn:4:195097:225724,CN(C)CCOc1ccc(-c2ccc(C(F)F)nc2Cl)cc1F,NVAMYGHKIQXJCI-UHFFFAOYSA-N
+rxn:4:195197:225723,CN(C)CCOc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1Cl,PPFFGLXCWRQNFS-UHFFFAOYSA-N
+rxn:4:195264:223000,Fc1cc(-c2cnc(C3CC3)s2)ccc1C1CCCNC1,KRVSMIUGUBTBGN-UHFFFAOYSA-N
+rxn:4:195543:226432,Cc1ccc(-c2ccc(C3CCCC3)nc2F)cc1[N+](=O)[O-],ZNBOPIWFVFASDG-UHFFFAOYSA-N
+rxn:4:195598:227497,Cc1nc(OC(C)C)ncc1-c1ccc(N=C=S)c(C)c1Cl,BCHFDDUONKYHNC-UHFFFAOYSA-N
+rxn:4:195600:227304,Cc1cc(OC(C)C)ncc1-c1cc(F)c(N=C=S)cc1C,XVZCYDYFNGKCGL-UHFFFAOYSA-N
+rxn:4:195612:227696,COC(=O)c1ccc(-c2cc(C)c(Cl)c([N+](=O)[O-])c2)c(F)n1,OFNXVPJMVPTUKW-UHFFFAOYSA-N
+rxn:4:195616:222925,Cc1c(F)cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cc1[N+](=O)[O-],ZIHABHZCKWDNNL-UHFFFAOYSA-N
+rxn:4:195619:223242,Cc1cc(F)cc([N+](=O)[O-])c1-c1ccnc(C2CCNC2)c1,JQUDOCNTPUJLMH-UHFFFAOYSA-N
+rxn:4:195704:222985,Cc1nc(C2CCCNC2)ccc1-c1cc([N+](=O)[O-])c(F)c(C)c1F,FXOPCHGPNPOLCN-UHFFFAOYSA-N
+rxn:4:195816:226572,COc1ncc(-c2cnc(OC3CCCC3)nc2)c(C)c1Cl,ZDLOVSBNKYIHQA-UHFFFAOYSA-N
+rxn:4:196285:226508,CC1(c2cncc(-c3ccc(OCC4CC4)nc3F)c2)CC1(F)F,QWDLHQQGHWBEKC-UHFFFAOYSA-N
+rxn:4:196858:228224,Cc1cc(C#N)cc(-c2cnc(C3CCOCC3)cc2Cl)c1Cl,MOYAPQZAXREDRS-UHFFFAOYSA-N
+rxn:4:197180:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)(F)F)c2cc[nH]c12,NRGOYORVSQQVJM-UHFFFAOYSA-N
+rxn:4:201205:225648,Cc1ccc(-c2ncc(-c3cc([N+](=O)[O-])cnc3OCC(F)(F)F)cn2)cc1,VVKUPAWAEMXILK-UHFFFAOYSA-N
+rxn:4:201287:226966,CC(F)(F)COc1ncc(-c2ccc3c(c2)C(=O)CCC3)cc1C#N,WDGOOYGNKKOKQC-UHFFFAOYSA-N
+rxn:4:201287:228336,COc1ncc(-c2cnc(OCC(C)(F)F)c(C#N)c2)cc1SC,KKQKPYXJEFCZQV-UHFFFAOYSA-N
+rxn:4:202964:226340,CCCOc1cnc(-c2cc(C#N)cc(C3CC3)c2Cl)nc1,VTNZPFMYDKLHFU-UHFFFAOYSA-N
+rxn:4:204990:225674,N#Cc1c(F)c(F)c(C#N)c(-c2cnc(C3CCCCC3)cc2F)c1F,LEOVQWDAJSKHJE-UHFFFAOYSA-N
+rxn:4:205045:225806,N#Cc1cc([N+](=O)[O-])cc(-c2cnc(OC3CCCC3)cc2F)c1F,ULMUSYRXLFWWLH-UHFFFAOYSA-N
+rxn:4:205110:225201,COc1ncc(-c2ccc(OC3CCCC3)c(F)c2F)cc1C#N,MLPWFIQBIWJEGX-UHFFFAOYSA-N
+rxn:4:208176:223000,Fc1cc(-c2cnc(C(F)(F)F)cn2)ccc1C1CCCNC1,YZTRJAANGAOGRR-UHFFFAOYSA-N
+rxn:4:208240:222925,O=[N+]([O-])c1cc[n+]([O-])c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1,XPJNVXJEOPYZGZ-UHFFFAOYSA-N
+rxn:4:208306:225923,Cc1ccc(-c2cnc(OC3CCCC3)nc2Cl)c(C#N)n1,KVEBQKYWLFFCKK-UHFFFAOYSA-N
+rxn:4:211234:222803,Cc1nc(F)nc(F)c1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,YNGMLECMWAUUMQ-UHFFFAOYSA-N
+rxn:4:217311:224904,O=C(c1ccc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)cc1)C1CCCCC1,HUKYMIQBYWWZER-UHFFFAOYSA-N
+rxn:4:222389:174491,CC1(C)COC(CCCC(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)OC1,AOPQYPUALURBAQ-UHFFFAOYSA-N