Added 41 molecules from epoch 19260 for P31645

P31645_molecules.csv

@@ -47048,3 +47048,44 @@ rxn:4:224686:205979,O=C(c1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)cn2)c(F)c1)N1CCCCC1,SMK
 rxn:4:224688:192843,O=C1CCN(Cc2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4F)nc3)cc2Cl)CC1,CLIMELREXOKVGB-UHFFFAOYSA-N
 rxn:4:225004:205979,O=C1CCN(Cc2ccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)cn3)cc2)CC1,YOQWPLQFYPOEAZ-UHFFFAOYSA-N
 rxn:4:225274:203242,COCCOc1c(F)cc(-c2cnc(-c3ccc(OC(F)(F)F)cc3)cn2)c(C)c1F,QIPUXYHWKWWYDZ-UHFFFAOYSA-N
+rxn:4:182352:225835,COc1cc2c(cc1-c1cnc(-c3ccc(F)cc3)nc1)CCC(=O)C2(C)C,VMWSLRXXCJZJLO-UHFFFAOYSA-N
+rxn:4:185737:225955,Cc1nccn1-c1cc(F)c(-c2cc([N+](=O)[O-])cc(F)c2OCC(F)F)cn1,PWODKDNAWNAJQF-UHFFFAOYSA-N
+rxn:4:185754:225840,FC(F)(F)C(Oc1cncc(-c2cnc(-c3ccncc3)c(Cl)c2)c1)C(F)(F)F,ORNWXPOWAFCGGA-UHFFFAOYSA-N
+rxn:4:186276:224390,CCOC(=O)c1cc(C)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc1[N+](=O)[O-],SRJCYKGRJLBHGS-UHFFFAOYSA-N
+rxn:4:189202:223044,CC(C)NC(=O)c1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)cc1F,YEQHLBITHWYANO-UHFFFAOYSA-N
+rxn:4:189941:224390,COC(=O)c1cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc(N2CCOCC2)c1,XNPLQEYPTLNALC-UHFFFAOYSA-N
+rxn:4:192675:224259,CCc1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)[nH]c(C)c1C(C)=O,YPVSAUOZXVDRMR-UHFFFAOYSA-N
+rxn:4:192675:224386,CCc1c(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2)[nH]c(C)c1C(C)=O,MYCCTEWBQIMRKG-UHFFFAOYSA-N
+rxn:4:192817:222698,O=C(c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1Cl)N1CCC(O)CC1,QQMIQFBVUKVEIT-UHFFFAOYSA-N
+rxn:4:192817:222743,CC(c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1)N1CCC(O)CC1,WBEOYYAMRXBUCE-UHFFFAOYSA-N
+rxn:4:192842:223123,CC(C)C(=O)Nc1ccc(-c2ccc(-c3cnc(F)c(C(F)(F)F)c3)cc2)cc1,QWHMEFYDASVWEW-UHFFFAOYSA-N
+rxn:4:192843:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2)cc1,AMDAMDQYJZDGSM-UHFFFAOYSA-N
+rxn:4:192851:223185,c1nc(C2CNCCO2)ncc1-c1cc(C2CC2)nc(C2CC2)c1,LOKWCTCQVNXKBE-UHFFFAOYSA-N
+rxn:4:192867:222687,CC(=O)N(C)c1ccc(-c2ccc(C(=O)Nc3ccccn3)cc2F)cc1C,CSULIDIGOUCEAK-UHFFFAOYSA-N
+rxn:4:192890:222689,Cc1c(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)ccc(C(=O)N(C)C)c1F,OBJIMYPGUMLTRV-UHFFFAOYSA-N
+rxn:4:193324:223312,Cc1cc(-c2ccc(C3CNC3)cc2)cnc1OC1CCCC1,ZGJITDNUESHSQR-UHFFFAOYSA-N
+rxn:4:194288:224502,COc1cc(C(F)(F)F)nc2ccc(-c3cccc(OCC4CCCCN4C)c3)cc12,YQPZMCMNZGMQFM-UHFFFAOYSA-N
+rxn:4:194944:223062,N#Cc1cc(Cl)cc(-c2cnc(C3CCNCC3)cc2F)c1,JRXFOZLNOPNSEH-UHFFFAOYSA-N
+rxn:4:196198:224331,O=C1C=CC(=O)N1c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c(Cl)c1,AIFFERABFAPINI-UHFFFAOYSA-N
+rxn:4:196451:222855,COc1cc(-c2ccc(-c3cc(F)cc(F)c3)cn2)cc(C2CCCNC2)c1,MPDHFZPSMHYNRF-UHFFFAOYSA-N
+rxn:4:196637:228392,Cc1cc(N2C(=O)C=CC2=O)ccc1-c1ccc(C(F)(F)F)cc1,ZJLQNRGPROPVBE-UHFFFAOYSA-N
+rxn:4:197044:224013,CN1CCC(c2ccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)nc3Cl)cc2)CC1,ZPCQANSGMSIMMB-UHFFFAOYSA-N
+rxn:4:200880:224559,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(SCc5ccccc5F)cc4)cc3)CC2)CC1,KXNICUZZPMOLRK-UHFFFAOYSA-N
+rxn:4:203242:225603,N#CC1(c2cccc(-c3cnc(-c4ccc(OC(F)(F)F)cc4)cn3)c2F)CCC1,OKENDBKNIXZOMH-UHFFFAOYSA-N
+rxn:4:205937:222908,COc1cc(-c2ncc[nH]2)ccc1-c1cncc(NC(=O)OC(C)(C)C)c1,WFPIEDKHDXVZNM-UHFFFAOYSA-N
+rxn:4:205979:222870,CC(C)CNC(=O)c1cc(F)cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)cn2)c1,KVVPDEXKMJGLJJ-UHFFFAOYSA-N
+rxn:4:205979:223049,O=C(NC1CC1)c1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)cn2)c(F)c1,HFKARMFBAPWSBK-UHFFFAOYSA-N
+rxn:4:222389:175939,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,SMQRXBZBIAHIFO-UHFFFAOYSA-N
+rxn:4:222402:192843,CCCNC(=O)Nc1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2)cc1,IKOHQOSZNKBUQX-UHFFFAOYSA-N
+rxn:4:223001:189202,Fc1ccc(C2CCCNC2)cc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1,ZMBZAOQNMMHRNR-UHFFFAOYSA-N
+rxn:4:223311:192082,Clc1cc(-c2cccc(C3CNC3)c2)cnc1OC1COC1,YCRHIZNKPMMEOJ-UHFFFAOYSA-N
+rxn:4:223311:194579,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4cccc(C5CNC5)c4)cc3)[nH]c2c1,FCOYNSBYBYUMIR-UHFFFAOYSA-N
+rxn:4:224014:186799,O=C(COc1ccc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2Cl)cc1F)N1CCOCC1,ZFQDCTTWDRRTOB-UHFFFAOYSA-N
+rxn:4:224331:193148,Cc1cc(CN2CCC2)ccc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,FCVLLSDEXCIKLT-UHFFFAOYSA-N
+rxn:4:224348:190195,CN(Cc1ccc(-c2ccc(-c3cccc(C(F)(F)F)c3)nc2)c(Cl)c1)C1CCOCC1,XXOXMEGDXJSRFX-UHFFFAOYSA-N
+rxn:4:224390:184467,COC(=O)Cc1cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c(C#N)cc1C(F)(F)F,VMLKUCUVTDZKSL-UHFFFAOYSA-N
+rxn:4:224390:189958,COc1c(F)cc(C(=O)N2CCOCC2)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1,VPQBSJKMNODHLD-UHFFFAOYSA-N
+rxn:4:225079:197028,CN1CCC(=O)CC1c1ccc(-c2ccc3cc(OC(F)F)ccc3c2)cc1,DOCRCJUNYBHTNE-UHFFFAOYSA-N
+rxn:4:225683:189202,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1,ZLGHWKFCTHWNNO-UHFFFAOYSA-N
+rxn:4:225835:194554,Cc1cc(-c2cnc(-c3ccc(F)cc3)nc2)cc2c1N(CC(C)C)C(=O)C2=O,UTDIJYQWSRBKOJ-UHFFFAOYSA-N
+rxn:4:226728:188744,COc1cc(-c2ccc(OCC(F)F)cc2F)ccc1C=C[N+](=O)[O-],IMOFDJWCGJSGRP-UHFFFAOYSA-N