urdof7 commited on
Commit
72c8e19
·
verified ·
1 Parent(s): 95eb36b

Added 29 molecules from epoch 19817 for Q63380

Browse files
Files changed (1) hide show
  1. Q63380_molecules.csv +29 -0
Q63380_molecules.csv CHANGED
@@ -4657,3 +4657,32 @@ rxn:4:222339:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3cncc(N4CCN(c5cc(N6CCN(C)CC6)nc(C)n
4657
  rxn:4:222362:223159,CCNC(=O)c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1Cl,BHIVDWALSYACPZ-UHFFFAOYSA-N
4658
  rxn:4:222362:224114,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6OCCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,SAVBSNQXVOHBGB-UHFFFAOYSA-N
4659
  rxn:4:222363:224464,CCc1ccc(-c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c(F)c2)cc1,CGGGOQACVJGUCV-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
4657
  rxn:4:222362:223159,CCNC(=O)c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1Cl,BHIVDWALSYACPZ-UHFFFAOYSA-N
4658
  rxn:4:222362:224114,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6OCCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,SAVBSNQXVOHBGB-UHFFFAOYSA-N
4659
  rxn:4:222363:224464,CCc1ccc(-c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c(F)c2)cc1,CGGGOQACVJGUCV-UHFFFAOYSA-N
4660
+ rxn:4:174361:222423,COc1ccc(OS(=O)(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c(OC)c2)cc1,DPGJEJFQGKGELA-UHFFFAOYSA-N
4661
+ rxn:4:176277:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MUTAVTTYPWOTHG-UHFFFAOYSA-N
4662
+ rxn:4:176288:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3F)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SRSIGYINULZFOP-UHFFFAOYSA-N
4663
+ rxn:4:176291:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3cccc(F)c3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OSLXWLIBMAQDHU-UHFFFAOYSA-N
4664
+ rxn:4:188009:223570,CCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,YIWLOZDCNAVIFZ-UHFFFAOYSA-N
4665
+ rxn:4:194802:222465,Cc1ccc(N2C(=O)C3C(c4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,BGQLOQHGPCMWRE-UHFFFAOYSA-N
4666
+ rxn:4:200903:222423,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2C(C)C)CC1,YZXPGLVTBQTZMB-UHFFFAOYSA-N
4667
+ rxn:4:201028:222389,CCOc1ccc(C(=O)N=c2sc3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3n2CC)cc1,KWSXVKVERPNDCY-UHFFFAOYSA-N
4668
+ rxn:4:202605:222423,CCOc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,YKWCPGIYSVGKCW-UHFFFAOYSA-N
4669
+ rxn:4:202707:222423,COc1c(-c2ccc(CN3C(=O)N(c4cccc(SC)c4)C4CS(=O)(=O)CC43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XBYNMOVWXICVFB-UHFFFAOYSA-N
4670
+ rxn:4:202717:222423,COc1c(-c2ccc3oc(=O)c(C(=O)N4CCSC4c4ccc(N(C)C)cc4)cc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QYCKSDWYNCJLBM-UHFFFAOYSA-N
4671
+ rxn:4:212741:222508,CC1CN(Cc2ccc(-c3cc(C(=O)NCc4ccc(F)cc4)ccc3Cl)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,INRVZENNEVGTKO-UHFFFAOYSA-N
4672
+ rxn:4:212748:224580,Cc1nccn1-c1ccc(C2CC2)c(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,LRLIQJGPWGJOBI-UHFFFAOYSA-N
4673
+ rxn:4:212846:222703,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(C(F)(F)F)c(C6CCNCC6)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,FIOFPGRUVRLWJI-UHFFFAOYSA-N
4674
+ rxn:4:213429:222389,O=C1CC(c2nc3ccccc3n2CCc2ccccc2)CN1c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,WUAKBZNPWRCJLB-UHFFFAOYSA-N
4675
+ rxn:4:221277:225826,CN1CCN(c2cncc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(Oc6ccccc6)cc5)n(C)c4=O)cc3)c2)CC1,NIUGPCKYGXZMKE-UHFFFAOYSA-N
4676
+ rxn:4:221543:223557,Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,KOUIKGVIHDXELJ-UHFFFAOYSA-N
4677
+ rxn:4:221569:222847,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,XSODKKGTQZQTCL-UHFFFAOYSA-N
4678
+ rxn:4:221784:222615,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(CC(C)C)cc(C5CCNCC5)c4)cc3)n(C)c2=O)c1,PVFNEMAWKWRWTP-UHFFFAOYSA-N
4679
+ rxn:4:222135:222985,COc1ccc(-c2ccc(C3CCCNC3)nc2C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,ANGKGHSNYUNFQL-UHFFFAOYSA-N
4680
+ rxn:4:222249:222740,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6cc(C(C)C)nc(C7CCCNC7)c6)o5)CC4)ncnc32)cc1,CGTUGFIBWKFZRA-UHFFFAOYSA-N
4681
+ rxn:4:222303:222423,COc1c(-c2cnc(OCC3CCCN(c4ncnc5c4cnn5C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,APYXYLOQIXSDHM-UHFFFAOYSA-N
4682
+ rxn:4:222362:222648,Cc1cc(C)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1NC(=O)OC(C)(C)C,HMNYRUSWZAXRBW-UHFFFAOYSA-N
4683
+ rxn:4:222363:223961,Cc1cc(CN2CCN(c3c(-c4ccc(S(=O)(=O)N(C)c5ccccc5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FHILEWXGZIKJTI-UHFFFAOYSA-N
4684
+ rxn:4:222363:224367,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)c(OCC(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PNXSRRVPQZRKLU-UHFFFAOYSA-N
4685
+ rxn:4:222363:226511,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cnc4OCC4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FQXQMMRHICLKCF-UHFFFAOYSA-N
4686
+ rxn:4:222363:226797,Cc1cc(CN2CCN(c3c(-c4cnc(-n5ccnc5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NTODTSJGYZLRGD-UHFFFAOYSA-N
4687
+ rxn:4:222363:226802,Cc1cc(CN2CCN(c3c(-c4cnc(-n5ccnc5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UOKBRPOWUXPCHC-UHFFFAOYSA-N
4688
+ rxn:4:222363:229016,Cc1cc(CN2CCN(c3c(-c4ccsc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IVTZVVKDNRQGHC-UHFFFAOYSA-N