Added 34 molecules from epoch 20791 for P23977

P23977_molecules.csv

@@ -41254,3 +41254,37 @@ rxn:2:68972:118376,N=c1c(NC2CCc3ccsc3C2)c[nH]c2ccccc12,NZXKJHXUGAARGZ-UHFFFAOYSA
 rxn:2:88623:71586,Cc1ccc(-c2cc(NC3CC(c4ccsc4)C3)n[nH]2)nc1,MMODPIRKGXWPGY-UHFFFAOYSA-N
 rxn:2:92934:71586,C(#Cc1ccc2[nH]nnc2c1)CNC1CC(c2ccsc2)C1,OHTUCLSDOZEIRE-UHFFFAOYSA-N
 rxn:2:99667:142194,Cc1ccc2c(c1)CC(NC(C)c1ccc3n[se]nc3c1)C2,LXCKUHHXKILMHB-UHFFFAOYSA-N
+rxn:1:40029:39921,COCc1cc(C=CCn2cc(-c3ccc(I)nn3)nn2)cs1,DVPLDYBPHZOOCC-UHFFFAOYSA-N
+rxn:1:41917:31425,Cc1cc(N)c(-c2cn(CC#Cc3ccsc3C)nn2)cn1,QNLHFCDEVFJBNL-UHFFFAOYSA-N
+rxn:1:41923:32710,Oc1cnc(-c2cn(CC#Cc3ccsc3Cl)nn2)c(F)c1,OXKKOWQHBVLFIA-UHFFFAOYSA-N
+rxn:1:42008:23539,Nc1c(-c2cn(CC#Cc3ccc(Cl)cn3)nn2)oc2nccnc12,MMZQEICRMBOADP-UHFFFAOYSA-N
+rxn:1:43710:7707,Cc1cnc(-c2cn(CC#Cc3c[nH]c4ncnc(N)c34)nn2)s1,AOXWJRPCKZOGEX-UHFFFAOYSA-N
+rxn:1:45137:8659,CCc1cc(-n2cc(-c3cc(Cl)cnc3OC)nn2)ccc1O,DBJWBZKWWKFGLX-UHFFFAOYSA-N
+rxn:1:49052:20555,Nc1c(-c2cn(C3CCC(N)CC3)nn2)cnc(Cl)c1I,DQZYQDYLOZYQIM-UHFFFAOYSA-N
+rxn:1:49432:31898,Nc1c(Br)cc(C(F)(F)F)cc1-c1cn(C2(CI)CCNC2)nn1,UEFKFWZCHQYHLP-UHFFFAOYSA-N
+rxn:1:54930:28155,Cc1cccc(-c2cn(-c3cccc(C4CC4CS)c3)nn2)c1O,SYMDEBMDOXZFHM-UHFFFAOYSA-N
+rxn:1:54959:31957,Nc1cc(F)ncc1-c1cn(CC2CC2c2ccsc2Cl)nn1,VMUYBQOIIZAXPQ-UHFFFAOYSA-N
+rxn:1:55927:37898,CCOc1cccnc1-c1cn(-c2cncc(CCl)c2)nn1,XOQYAUWQNKBUFL-UHFFFAOYSA-N
+rxn:1:57014:7279,CC[C@H](N)c1cn(CCCc2cc(Br)cs2)nn1,MPPCINBJVGPERN-NSHDSACASA-N
+rxn:1:59853:31699,CSc1c(Cl)ccc(Br)c1-c1cn([C@H]2CNC[C@H]2C)nn1,XIJUUJYHVRXFLE-PELKAZGASA-N
+rxn:1:61780:8798,NCc1cccc(-c2cn(-c3ccc(F)c(F)c3Br)nn2)c1,DPRFXKZUQISKIN-UHFFFAOYSA-N
+rxn:1:62034:17157,CCc1cc(I)nn1-c1ccc(-c2cn(C3CCSC3)nn2)cc1,DNZTXBNJQJPDKD-UHFFFAOYSA-N
+rxn:1:63757:27961,CNCC=Cc1ccc(-c2cn(Cc3ccc(Cl)s3)nn2)cc1,JJUFCMMBRUVMEB-UHFFFAOYSA-N
+rxn:1:63912:20555,Nc1c(-c2cn(CC3CCCCC3)nn2)cnc(Cl)c1I,OYIOHLMTEKCFFA-UHFFFAOYSA-N
+rxn:2:104041:95509,COc1cc(NC2CCc3ncsc32)cc2cnccc12,SYSYEVAVYCHYLY-UHFFFAOYSA-N
+rxn:2:104749:107088,Cc1nc2c(cc1NC1C[C@H]3CSC[C@@H]3C1)c(C)nn2C,ZMYTVYTYUSMRBF-RYUDHWBXSA-N
+rxn:2:110475:71586,Cc1ccc2c(NC3CC(c4ccsc4)C3)ncnn12,SSMZWJCKGBZEPP-UHFFFAOYSA-N
+rxn:2:111118:113803,Cc1n[nH]cc1C(C)Nc1cc(C)c2ncsc2c1,QGPHGWIGIATKSA-UHFFFAOYSA-N
+rxn:2:111468:123388,CC(NCCC#Cc1cnc2cn[nH]c2c1)c1cccs1,OXUBRPUZMNWNRK-UHFFFAOYSA-N
+rxn:2:113103:112875,C(#CC1CC(Nc2ncnc3[nH]cnc23)C1)c1cccs1,ROMPWBDVNKBVLD-UHFFFAOYSA-N
+rxn:2:114876:101283,Cc1cc(NC2CC(c3cccs3)C2)cn2c(C)nnc12,RZOOHGLHSWBPBE-UHFFFAOYSA-N
+rxn:2:128690:112875,Cc1cnc(NC2CC(C#Cc3cccs3)C2)c2ncnn12,SXTHPAANDBHOLQ-UHFFFAOYSA-N
+rxn:2:131713:97954,Cc1cc2c(cnn2C)cc1NCC1CCc2sccc21,AXQXZUCMNVMIRY-UHFFFAOYSA-N
+rxn:2:133760:88023,CC(Nc1ccc(-c2cscn2)cn1)c1cc[se]c1,LAXZPVVGJHLGCR-UHFFFAOYSA-N
+rxn:2:133790:112875,Cc1cc2c(NC3CC(C#Cc4cccs4)C3)n[nH]c2nn1,RBXLOGATGVFUOC-UHFFFAOYSA-N
+rxn:2:134547:125483,c1cc2c(cn1)CCC(NC1c3cscc3-c3ccsc31)C2,NBQLSLKQSOLSFS-UHFFFAOYSA-N
+rxn:2:139108:101283,Cc1cncc2cc(NC3CC(c4cccs4)C3)cnc12,KBTUVUGAFXFUNR-UHFFFAOYSA-N
+rxn:2:144253:94931,CCC1CCC(Nc2cc3[nH]c(=O)[nH]c3c(C)c2C)CC1,OOXMGIQCQXSWII-UHFFFAOYSA-N
+rxn:2:165591:136912,O=c1[nH][nH]c2c1cnc1cc(NC3CCCSCC3)ccc12,KZRJZBFYDAZHKU-UHFFFAOYSA-N
+rxn:2:78806:71586,c1ncc(-c2cc(NC3CC(c4ccsc4)C3)n[nH]2)cn1,BXTUWZIVZPNWDZ-UHFFFAOYSA-N
+rxn:2:87557:97954,c1ncc2ccc(NCC3CCc4sccc43)cc2n1,NWTCPXDOQAGRES-UHFFFAOYSA-N