Added 35 molecules from epoch 19969 for P31645

P31645_molecules.csv

@@ -47344,3 +47344,38 @@ rxn:1:58642:28596,O=C1C(=O)c2ccc(CCCn3cc(Cn4cc(C=c5sc6nc7ccccc7n6c5=O)c5ccccc54)
 rxn:1:61616:29117,Cc1ccc(O)c(Cc2ccc(-c3ccc(-c4cn(-c5nc(N)c6ncn([C@@H]7O[C@H](CO)[C@@H](O)[C@H]7O)c6n5)nn4)cc3)cc2)c1,VZAWZOSPFVSYNG-QWOIFIOOSA-N
 rxn:1:65736:484,Nc1cncc(C=CCn2cc(-c3cccc(S(F)(F)(F)(F)F)c3)nn2)c1,VOFHZMWUHGFCSU-UHFFFAOYSA-N
 rxn:1:65794:484,Oc1cncc(C=CCn2cc(-c3cccc(S(F)(F)(F)(F)F)c3)nn2)c1,FZSHYHKYTRQITR-UHFFFAOYSA-N
+rxn:1:39926:10066,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(CNC(=O)c4cc(=O)c5ccc6cccnc6c5[nH]4)nn3)c12,LAZBYWHLJCQEJF-UHFFFAOYSA-N
+rxn:1:39926:113,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(-c4sc5nc(-c6cccc(F)c6)ccc5c4N)nn3)c12,RDNXYSYKCXEXCP-UHFFFAOYSA-N
+rxn:1:39926:19335,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(-c4cnn(Cc5ccc(O)cc5F)c4)nn3)c12,ATPBHSWLRXXQRH-UHFFFAOYSA-N
+rxn:1:39926:19408,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(-c4cnn(Cc5ccc(O)c(Br)c5)c4)nn3)c12,JZFIOGZOJZWDQX-UHFFFAOYSA-N
+rxn:1:39926:22698,CCc1cc(I)n(-c2cncc(-c3cn(-c4c(C(=O)c5ccc(Cl)cc5Cl)sc5nc(C)cc(COC)c45)nn3)c2)n1,FRLPNMJMWZRJHY-UHFFFAOYSA-N
+rxn:1:39926:235,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(-c4ccc(Oc5cccc(N)c5)nc4)nn3)c12,SCLWYMHKXHZFSA-UHFFFAOYSA-N
+rxn:1:39926:36482,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(-c4cc(F)cc(-c5cc(-c6ccccc6)sc5C)c4)nn3)c12,KMNUOWMOJHDFNW-UHFFFAOYSA-N
+rxn:1:39926:4964,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(Cn4c(=O)c(-c5ccccc5)nc5ccccc54)nn3)c12,WRXMFZGENFAUKT-UHFFFAOYSA-N
+rxn:1:40448:10432,NNC(=O)c1ccc(C=CCn2cc(Cn3c(=O)[nH]c4scc(-c5ccc(-c6ccccc6)cc5)c4c3=O)nn2)s1,KTAVFTMLGAMTJJ-UHFFFAOYSA-N
+rxn:1:40448:10457,NNC(=O)c1ccc(C=CCn2cc(Cn3c(=O)[nH]c4scc(-c5cccs5)c4c3=O)nn2)s1,SGLAYRVYSPVUDG-UHFFFAOYSA-N
+rxn:1:41360:29002,O=c1c2nccnc2[se]n1-c1ncc(Br)nc1-c1cn(CC=Cc2ccc(OC(F)(F)F)cc2O)nn1,UMSBICBJTDCPSL-UHFFFAOYSA-N
+rxn:1:41746:22666,COc1cc(C=CCn2cc(-c3cncc(-n4nc(C)c(Br)c4N)c3)nn2)cc(I)c1O,BHPLVYXKOPHWMO-UHFFFAOYSA-N
+rxn:1:41819:22666,COC(=O)c1ccc2c(C=CCn3cc(-c4cncc(-n5nc(C)c(Br)c5N)c4)nn3)c[nH]c2c1,RDLDYVZUTKRMJI-UHFFFAOYSA-N
+rxn:1:41848:22666,Cc1ncc(CO)c(C=CCn2cc(-c3cncc(-n4nc(C)c(Br)c4N)c3)nn2)c1O,STBWDVSIXJXNJR-UHFFFAOYSA-N
+rxn:1:41857:10318,COc1ccc(NC(=O)Cn2cc(Cn3c(-c4ccncc4)nc4sc(C)c(-c5cccs5)c4c3=O)nn2)cc1Cl,KHGALXYDZGWDIM-UHFFFAOYSA-N
+rxn:1:41874:22666,CSc1nc(Cl)c(C=CCn2cc(-c3cncc(-n4nc(C)c(Br)c4N)c3)nn2)c(Cl)n1,NYSUYHRCEUYNOI-UHFFFAOYSA-N
+rxn:1:42573:22666,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccc(C(=O)NN)s4)nn3)c2)c(N)c1Br,QTPIXOAKOIBPGN-UHFFFAOYSA-N
+rxn:1:42869:28596,O=C(O)c1cccc(Cl)c1C#CCn1cc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c3ccccc32)nn1,FHNQTUSDTBSCTQ-UHFFFAOYSA-N
+rxn:1:42874:28596,O=C(O)c1ccc(F)c(C#CCn2cc(Cn3cc(C=c4sc5nc6ccccc6n5c4=O)c4ccccc43)nn2)c1,SPFQBVHGFARURG-UHFFFAOYSA-N
+rxn:1:42886:28596,O=C(O)c1ccc(Cl)cc1C#CCn1cc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c3ccccc32)nn1,GSPZPDMGHWYVST-UHFFFAOYSA-N
+rxn:1:42889:28596,O=C(O)c1cc(F)ccc1C#CCn1cc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c3ccccc32)nn1,ZRULLRCIQWAJGC-UHFFFAOYSA-N
+rxn:1:42933:28596,CC(=O)c1ccc(C#CCn2cc(Cn3cc(C=c4sc5nc6ccccc6n5c4=O)c4ccccc43)nn2)c(Cl)c1,GRJWBBOGEYHQOT-UHFFFAOYSA-N
+rxn:1:42955:22666,COc1cc(C#CCn2cc(-c3cncc(-n4nc(C)c(Br)c4N)c3)nn2)cc(F)c1F,DSJTYIXZKLWSDG-UHFFFAOYSA-N
+rxn:1:42958:28596,COc1cc(F)c(F)cc1C#CCn1cc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c3ccccc32)nn1,YULKLRHINYBKKM-UHFFFAOYSA-N
+rxn:1:43002:28596,Cc1nc(C#CCn2cc(Cn3cc(C=c4sc5nc6ccccc6n5c4=O)c4ccccc43)nn2)ccc1[N+](=O)[O-],TVDHBPVKHKYHJR-UHFFFAOYSA-N
+rxn:1:43039:28596,O=C(O)c1cc(C#CCn2cc(Cn3cc(C=c4sc5nc6ccccc6n5c4=O)c4ccccc43)nn2)cnc1Cl,FHOQKDVWOSVKRQ-UHFFFAOYSA-N
+rxn:1:43520:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC#Cc4ccc([N+](=O)[O-])c(C(=O)O)c4)nn2)CC3)cn1,SZAKDTPTDBEYBD-UHFFFAOYSA-N
+rxn:1:43715:28596,O=C(O)c1cc(C#CCn2cc(Cn3cc(C=c4sc5nc6ccccc6n5c4=O)c4ccccc43)nn2)ccc1Br,KAVAFADVVSJMLX-UHFFFAOYSA-N
+rxn:1:43718:28596,O=C(O)c1ccc(Br)cc1C#CCn1cc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c3ccccc32)nn1,LFJJVJRRUYNVDR-UHFFFAOYSA-N
+rxn:1:58353:21053,Cc1n[nH]c(O)c1C(c1c(C)n[nH]c1O)c1cn(Cc2cn(CCCSc3ncnc4ccccc34)nn2)c2ccccc12,CBIDWWCGUYVPIQ-UHFFFAOYSA-N
+rxn:1:59319:21053,Cc1n[nH]c(O)c1C(c1c(C)n[nH]c1O)c1cn(Cc2cn(CCCCc3cccc4cc[nH]c34)nn2)c2ccccc12,IJTKTCCPVLFDJT-UHFFFAOYSA-N
+rxn:1:60558:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)C(=N)Sc4nccn4C)nn3)CC2)CC1,FNGRMFOTPKRVTA-UHFFFAOYSA-N
+rxn:1:61636:27874,OC[C@H]1O[C@@H](n2cnc3c(I)nc(-n4cc(-c5ccc(-c6nc7ccccc7[nH]6)cn5)nn4)nc32)[C@H](O)[C@@H]1O,ZGPVZRJRESIXTN-DYVMYPEFSA-N
+rxn:1:61924:27874,Nc1nc(-n2cc(-c3ccc(-c4nc5ccccc5[nH]4)cn3)nn2)nc2c1ncn2C1OC(CO)C(O)C1O,NZLSTSRKVQJZMJ-UHFFFAOYSA-N
+rxn:1:62116:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IJOTXALKPCFCJS-UHFFFAOYSA-N