Added 40 molecules from epoch 20234 for Q01959

Q01959_molecules.csv

@@ -17503,3 +17503,43 @@ rxn:1:59506:5393,COc1ccc2[nH]cc(Cc3nn(Cc4cn(CCCCc5ccc6ncnc(N)c6c5)nn4)c(=O)c4ccc
 rxn:1:60573:22699,CCc1nn(-c2cncc(-c3cn(-c4cccc(C(F)(F)C(=N)Sc5nnc[nH]5)c4)nn3)c2)c(I)c1Br,QDOLXFSGUMLPNS-UHFFFAOYSA-N
 rxn:1:61985:22880,FC(F)c1cc(I)n(-c2cncc(-c3cn(-c4ccsc4C4SCCCS4)nn3)c2)n1,VSMKRQNAVQSHQI-UHFFFAOYSA-N
 rxn:1:62027:14782,Cc1cc(C)c2sc(=NC(=O)c3cccs3)n(Cc3cn(Cc4ccc(COc5nc(N)nc6[nH]cnc56)cc4)nn3)c2c1,FDGLQTBKJIVCAK-UHFFFAOYSA-N
+rxn:1:41075:23545,Nc1c(-c2cn(CC=Cc3cc(F)c(C(=O)O)c(F)c3)nn2)oc2ncc(-c3ccc(Cl)cc3)cc12,DQKCAWFGFSBBIC-UHFFFAOYSA-N
+rxn:1:41291:29021,O=C1CCc2cc(C=CCn3cc(-c4nc(Br)cnc4-n4[se]c5ccccc5c4=O)nn3)ccc2N1,SJFGHTDPGCLOMO-UHFFFAOYSA-N
+rxn:1:41301:10471,COc1ccc(-c2c(C)sc3ncn(Cc4cn(CC=Cc5ccc6ncnc(N)c6c5)nn4)c(=O)c23)cc1C,FTGZBFINGSXDDN-UHFFFAOYSA-N
+rxn:1:41506:9399,Cc1cc(C)c2c(=O)c(C(=O)Nc3cccc(-c4cn(CC=Cc5ccc(Cl)nn5)nn4)c3)c[nH]c2c1,RDFLWBFHNXCOGZ-UHFFFAOYSA-N
+rxn:1:42266:22870,Cc1cc(F)cnc1C#CCn1cc(-c2cncc(-n3nc(C(F)F)c(I)c3N)c2)nn1,WEASYHDPUZOPAY-UHFFFAOYSA-N
+rxn:1:42587:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4cc(N)c(C)cc4F)nn3)c2)c(I)c1I,OXUUBKYALNEHME-UHFFFAOYSA-N
+rxn:1:42662:22696,CCc1nn(-c2cncc(-c3cn(CC#Cc4c(N)ccc(F)c4F)nn3)c2)c(Br)c1Cl,IQUOGKLMMIQEAX-UHFFFAOYSA-N
+rxn:1:42845:3320,Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3cn(CC#Cc4n[nH]c5ncnc(N)c45)nn3)c1)cc(=O)n2C,CLSPMCXJEJFZOU-UHFFFAOYSA-N
+rxn:1:43199:23549,Nc1c(-c2cn(CC#Cc3cc(F)c(C(=O)O)c(F)c3)nn2)oc2nc(-c3cccc(Cl)c3)ccc12,ULPDVNHBRVGUNI-UHFFFAOYSA-N
+rxn:1:43445:12971,COc1nc(Br)cnc1NC(=O)c1cccc(-c2cn(CC#Cc3ccc(-n4ccnc4S)cc3)nn2)c1,MTOSBLHCJDDHKY-UHFFFAOYSA-N
+rxn:1:43924:22693,CCc1nn(-c2cncc(-c3cn(CCC#Cc4c[nH]nc4C#N)nn3)c2)c(Cl)c1I,TVUAWYPLBKJPFQ-UHFFFAOYSA-N
+rxn:1:44580:25271,O=Cc1cc(I)c(OCc2cn(CCC#Cc3ncnc4[nH]cnc34)nn2)c(I)c1,GKJGXYSLWPGBPD-UHFFFAOYSA-N
+rxn:1:44604:22893,FC(F)(F)c1nn(-c2cncc(-c3cn(CCC#Cc4cnc5[nH]ncc5c4)nn3)c2)c(Cl)c1Br,APNPXGPRLBACPD-UHFFFAOYSA-N
+rxn:1:44677:22922,Clc1c(C2CNC2)nn(-c2cncc(-c3cn(CCC#Cc4c[nH]c5c(Cl)ncnc45)nn3)c2)c1I,DUQBWXWGLLJOOW-UHFFFAOYSA-N
+rxn:1:45161:21053,Cc1n[nH]c(O)c1C(c1c(C)n[nH]c1O)c1cn(Cc2cn(CCC#Cc3ccc4sc5ccccc5c4c3)nn2)c2ccccc12,PNAKAIBEHYTIRG-UHFFFAOYSA-N
+rxn:1:45248:23513,Cc1cnc(F)cc1C#CCCn1cc(-c2sc3ncc(-c4ccc([N+](=O)[O-])cc4)cc3c2N)nn1,SONDEORLCHVHPT-UHFFFAOYSA-N
+rxn:1:45407:10695,Cc1ncc(C=CCCn2cc(-c3cccc(NC(=O)c4c[nH]c5c(Cl)cccc5c4=O)c3)nn2)cn1,KSVNOWSOWKNATB-UHFFFAOYSA-N
+rxn:1:46175:32789,Cc1ccc(C(=O)Nc2cncc(-c3cn(CCC=Cc4cnc5[nH]c(=O)oc5c4)nn3)c2)cc1I,UBAGRKTWPYMUKL-UHFFFAOYSA-N
+rxn:1:46737:3320,Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3cn(CCC=Cc4ccnc5[nH]ccc45)nn3)c1)cc(=O)n2C,VYYSBTMOMQZFFL-UHFFFAOYSA-N
+rxn:1:46741:10695,O=C(Nc1cccc(-c2cn(CCC=Cc3c[nH]c4ncc(Br)cc34)nn2)c1)c1c[nH]c2c(Cl)cccc2c1=O,LYDGFZSRIMPIPE-UHFFFAOYSA-N
+rxn:1:48774:23545,Cc1ccc(C(O)C(O)CCn2cc(-c3oc4ncc(-c5ccc(Cl)cc5)cc4c3N)nn2)c(C)n1,WHJRNWMVHPQMHO-UHFFFAOYSA-N
+rxn:1:48808:23549,Cc1cc(O)ncc1C(O)C(O)CCn1cc(-c2oc3nc(-c4cccc(Cl)c4)ccc3c2N)nn1,CMRJRIZNLJUKIT-UHFFFAOYSA-N
+rxn:1:48953:12745,O=C(Nc1ccc(-c2cn(CCC(O)C(O)c3cnc4[nH]ccc4c3)nn2)cc1)c1ccc2cc(Br)ccc2c1,FIQVSZKPRAHDSH-UHFFFAOYSA-N
+rxn:1:48953:12809,O=C(Nc1ccc(I)cc1)c1ccc(-c2cn(CCC(O)C(O)c3cnc4[nH]ccc4c3)nn2)cc1,OZLBQPBMACGFTH-UHFFFAOYSA-N
+rxn:1:48953:12852,O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(-c2cn(CCC(O)C(O)c3cnc4[nH]ccc4c3)nn2)cc1,NRUIJTDCSFFKJP-UHFFFAOYSA-N
+rxn:1:48953:13203,O=C(Nc1ccc(-c2cn(CCC(O)C(O)c3cnc4[nH]ccc4c3)nn2)cc1)c1cc2c(Cl)cccc2s1,UJRCMISFIBVUTL-UHFFFAOYSA-N
+rxn:1:48953:13298,O=C(Nc1ccc(-c2cn(CCC(O)C(O)c3cnc4[nH]ccc4c3)nn2)cc1)c1cc2cc(Cl)ccc2o1,SPMSZGFYEBJBMN-UHFFFAOYSA-N
+rxn:1:48953:13494,O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(-c2cn(CCC(O)C(O)c3cnc4[nH]ccc4c3)nn2)c1,SFRMLJPAZMKYDR-UHFFFAOYSA-N
+rxn:1:50532:22876,FC(F)c1cc(Br)n(-c2cncc(-c3cn(CC4C(c5cnc6cn[nH]c6c5)C4(F)F)nn3)c2)n1,RWVIUDWQMAJPLE-UHFFFAOYSA-N
+rxn:1:55512:22880,Nc1nc(Cl)cnc1C1CC1Cn1cc(-c2cncc(-n3nc(C(F)F)cc3I)c2)nn1,QEJOKQCKDXIOJZ-UHFFFAOYSA-N
+rxn:1:56873:5070,COc1cccc(-c2c(C)sc3nc(-c4ccncc4)n(Cc4cn(CC5CC5c5ccc(Cc6ccccc6)cc5)nn4)c(=O)c23)c1,AUKNXKIJGRQXCH-UHFFFAOYSA-N
+rxn:1:57759:22880,N#Cc1ncc(CCCn2cc(-c3cncc(-n4nc(C(F)F)cc4I)c3)nn2)cc1F,JMWVLOAGGVGQLZ-UHFFFAOYSA-N
+rxn:1:58417:23567,Nc1c(-c2cn(CCCc3cc(F)cc([N+](=O)[O-])c3O)nn2)sc2c(I)cncc12,SKZHJFDLIGPRTB-UHFFFAOYSA-N
+rxn:1:58669:3320,Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3cn(CCCCc4cn[nH]c4)nn3)c1)cc(=O)n2C,PYIOPTVAEHVNGG-UHFFFAOYSA-N
+rxn:1:59077:22880,FC(F)c1cc(I)n(-c2cncc(-c3cn(CCCCc4c(Cl)cncc4Cl)nn3)c2)n1,YPFHTKKPOVQIMA-UHFFFAOYSA-N
+rxn:1:59327:12675,O=C(Nc1ccc(F)c(Br)c1F)c1ccc(-c2cn(CCCCc3cnc4cn[nH]c4c3)nn2)cc1,VIPBPONQRYLWJY-UHFFFAOYSA-N
+rxn:1:59349:3960,CC(C)c1nc2scc(-c3ccc(-c4ccccc4)cc3)c2c(=O)n1Cc1cn(CCCCc2c[nH]c3ncnc(N)c23)nn1,SZCBZMSIDQIDBL-UHFFFAOYSA-N
+rxn:1:59349:8985,Cc1nn(-c2ccc(Cl)cc2)c2ncc(C(=O)Nc3cccc(-c4cn(CCCCc5c[nH]c6ncnc(N)c56)nn4)c3)cc12,QQBYXQJFITTWGL-UHFFFAOYSA-N
+rxn:1:59506:5070,COc1cccc(-c2c(C)sc3nc(-c4ccncc4)n(Cc4cn(CCCCc5ccc6ncnc(N)c6c5)nn4)c(=O)c23)c1,DAKUWZUVKXAIPQ-UHFFFAOYSA-N
+rxn:1:60118:22881,COC(=O)c1ccc(-n2cc(-c3cncc(-n4nc(C(F)F)c(Br)c4I)c3)nn2)c(C)c1,RILWZFREENSCBS-UHFFFAOYSA-N