Added 39 molecules from epoch 21654 for P23977

P23977_molecules.csv

@@ -42262,3 +42262,42 @@ rxn:2:92382:97563,CCOc1ccc(C(CC)Nc2cn[nH]c2)cc1C,CILTWGRSBNYZGX-UHFFFAOYSA-N
 rxn:2:95804:144172,Cc1ccc2cc(C(C)NC3CCc4c[nH]cc4C3)ccc2n1,DDEAGXPDKZHTLL-UHFFFAOYSA-N
 rxn:2:96968:108959,CC(NCC#Cc1cc2cn[nH]c2cn1)c1ccc(-c2cccs2)cc1,RGAUKKKFLOFAEH-UHFFFAOYSA-N
 rxn:2:97980:152911,CC(Nc1ccsn1)c1ccc(-c2ccc3ncsc3c2)c2c1OCO2,VGIFCULVORLXHF-UHFFFAOYSA-N
+rxn:1:41907:39051,C[C@@H](N)c1cn(-c2ccc(I)cc2Cl)nn1,SRMQRZRPWKGDEJ-ZCFIWIBFSA-N
+rxn:1:59915:723,[Na]c1cn(Cc2sc(Br)cc2Br)nn1,OYUDFJVSASNICM-UHFFFAOYSA-N
+rxn:2:100031:142183,CCCC[C@H](NCC=N)c1ccc2c(c1)OC(F)(F)O2,XILYSCAXXCJEJI-NSHDSACASA-N
+rxn:2:105333:142183,N=CCNCC#Cc1ccc2ncsc2c1,RRKSVPUFLAYFSG-UHFFFAOYSA-N
+rxn:2:105340:169964,CCc1cccc(-c2ccc(CCC(C)NCCS(=O)(=O)F)cc2)c1,TZDMDTNBNRDFFV-UHFFFAOYSA-N
+rxn:2:105340:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCCS(=O)(=O)F,VQAODRPTUJKGGP-UHFFFAOYSA-N
+rxn:2:110352:143058,CCNC(COc1ccccc1C)c1cccc(C)c1,GYXJWBZGPMHRQM-UHFFFAOYSA-N
+rxn:2:113181:71586,C(#Cc1ccc2c(c1)CC2)CCNC1CC(c2ccsc2)C1,FELHODGMEJAXQO-UHFFFAOYSA-N
+rxn:2:118157:170668,CC(NCCS(=O)(=O)c1cn[nH]c1)c1csc(-c2ccc(-c3ccco3)cc2)c1,BBQOCWQDPQAWQA-UHFFFAOYSA-N
+rxn:2:124198:109382,C(#Cc1ccsc1)CCNC1CCC(c2nccs2)CC1,PXSJZMFSPPYSEJ-UHFFFAOYSA-N
+rxn:2:124198:96187,F[C@@H]1C[C@H](c2ccccc2)CCC1NCCC#Cc1ccsc1,ZLJOFVADQAWOKB-LEAGNCFPSA-N
+rxn:2:130089:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCCS(=O)(=O)[O-],LEIOWXBLQGNBDE-UHFFFAOYSA-M
+rxn:2:130128:158071,CC(Nc1cnsc1)c1ccc(-c2nc3ccccc3o2)cc1,PPJXOFFZGSHLOK-UHFFFAOYSA-N
+rxn:2:132946:170026,CCCC(NCCCS(C)(=N)=O)c1ccc(-c2cc3cc(C)ccc3s2)cc1,LRLFHPSXGNABFB-UHFFFAOYSA-N
+rxn:2:137136:112875,COc1ncc(C#CCCNC2CC(C#Cc3cccs3)C2)cn1,KRTVIMPOEQTYHZ-UHFFFAOYSA-N
+rxn:2:139123:142183,N=CCNCC#Cc1ccc2ocnc2c1,KSCRDDPKXVSHSQ-UHFFFAOYSA-N
+rxn:2:140546:88952,CC(CCCCc1cccs1)NCc1nc(=O)o[nH]1,BOFVDDVIUCHENU-UHFFFAOYSA-N
+rxn:2:140876:170060,CCn1cc(C2CC2CNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,HNQNTRBPWOEYLI-UHFFFAOYSA-N
+rxn:2:141397:148339,CNC(COc1cccc(C)c1C)c1ccccc1,WHIDJUOUHUJAMW-UHFFFAOYSA-N
+rxn:2:141397:155258,CNC1CCc2cc(-c3ccco3)ccc21,KWBBAQYTNWOOBG-UHFFFAOYSA-N
+rxn:2:141397:169305,CNC(C)c1ccc(-c2cc3ccccc3o2)cc1C,UXWCBMJOQVIJJZ-UHFFFAOYSA-N
+rxn:2:141397:169964,CCc1cccc(-c2ccc(CCC(C)NC)cc2)c1,AZANLWWEDFGTIT-UHFFFAOYSA-N
+rxn:2:141397:170060,CNC(C)CCc1ccc(-c2csc(C)c2)cc1,LCINVDOMRCJFRE-UHFFFAOYSA-N
+rxn:2:141397:171231,CCOc1cc(C)c(-c2csc(C(C)NC)c2)cc1C,XDAUTKKIBOMLQN-UHFFFAOYSA-N
+rxn:2:141397:172621,CNC1CCC(c2ccc(-c3cccc(C)c3)cc2)CC1,PKZGNGJQOMUKRX-UHFFFAOYSA-N
+rxn:2:141397:172927,CNC(C)c1cc(-c2ccc3c(c2)Cc2ccccc2-3)cs1,SPACIRXBNPYVIE-UHFFFAOYSA-N
+rxn:2:146036:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cc2)cs1,OPNABKZANPSEHQ-UHFFFAOYSA-N
+rxn:2:67187:171492,CC(Nc1cncnc1)c1ccc(-c2cc3ccccc3s2)cc1,RFXKTBKBFVQBHE-UHFFFAOYSA-N
+rxn:2:67593:172618,CC(NCC#Cc1cn[nH]c1)c1cc(-c2cc3sccc3s2)cs1,WHGOMYIENWLEAZ-UHFFFAOYSA-N
+rxn:2:73728:83991,CCC(C)CC(Cc1cccc(C)c1)NC1CC1,AJKNZVSUJJAIMU-UHFFFAOYSA-N
+rxn:2:74393:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCc1ncno1,AYOMDPBZXJKNHQ-UHFFFAOYSA-N
+rxn:2:76662:142183,CCCCC(NCC=N)c1cccc(C)c1C,ZCGVPBSWBNHWQR-UHFFFAOYSA-N
+rxn:2:78804:142183,Cc1cncc(C#CCNCC=N)c1,SBXMNUKFMKNIER-UHFFFAOYSA-N
+rxn:2:80341:142183,CCCC[C@H](NCC=N)c1ccc(C)c(C)c1,WJNPETHQPJBEIP-HNNXBMFYSA-N
+rxn:2:80739:142183,N=CCNCC#Cc1ccc2scnc2c1,QMUZDURQCSAOHC-UHFFFAOYSA-N
+rxn:2:84123:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCCCC1(C)N=N1,HHUPGYWJZMWOBV-UHFFFAOYSA-N
+rxn:2:87876:102373,Cc1ccc(C2CC(NCCC#Cc3cccs3)C2)s1,LVGYEMIYFSAOMB-UHFFFAOYSA-N
+rxn:2:89531:170060,Cc1cc(-c2ccc(CCC(C)NCc3nncs3)cc2)cs1,IGIPXWGYWZZDRB-UHFFFAOYSA-N
+rxn:2:96741:70192,Cc1ccc(OCCC(C)NCc2cocn2)c(C)c1,OTYDLBJXIRHZDR-UHFFFAOYSA-N