smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2-c2ccc(OC)cc2)cc1 ZINC000150663306 1066209472 /nfs/dbraw/zinc/20/94/72/1066209472.db2.gz NUZZSCDQBFMCSO-UHFFFAOYSA-N 0 2 631.740 4.890 20 0 KJADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCCC5)cc2)nc(C)n1 ZINC000150668252 1066209969 /nfs/dbraw/zinc/20/99/69/1066209969.db2.gz MPJFPFGFXASZKV-UHFFFAOYSA-N 0 2 636.781 4.917 20 0 KJADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)cc2)nc(C)n1 ZINC000500176162 1066376095 /nfs/dbraw/zinc/37/60/95/1066376095.db2.gz HCJKSQIMTBMRBK-UHFFFAOYSA-N 0 2 500.005 4.923 20 0 KJADLN O=c1nc(CN2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000514380773 1066425549 /nfs/dbraw/zinc/42/55/49/1066425549.db2.gz PVNDAKHWRGOIMS-UHFFFAOYSA-N 0 2 562.696 4.698 20 0 KJADLN COc1ccc(-c2cc3[nH]c(CN4CCN(Cc5nc6sc7c(c6c(=O)[nH]5)CCCC7)CC4)nc(=O)c3s2)cc1 ZINC000514392449 1066456278 /nfs/dbraw/zinc/45/62/78/1066456278.db2.gz XEHSTJSVXXLTAP-UHFFFAOYSA-N 0 2 574.732 4.567 20 0 KJADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3csc(-c4ccc(Cl)cc4)n3)cc2)nc(C)n1 ZINC000514484477 1066463747 /nfs/dbraw/zinc/46/37/47/1066463747.db2.gz FROBYLYUFMXIBG-UHFFFAOYSA-N 0 2 500.005 4.923 20 0 KJADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3csc(-c4ccccc4Cl)n3)cc2)nc(C)n1 ZINC000589282977 1066472540 /nfs/dbraw/zinc/47/25/40/1066472540.db2.gz PSCABPCWUOUAKT-UHFFFAOYSA-N 0 2 500.005 4.923 20 0 KJADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnc(-c4ccccc4Cl)s3)cc2)nc(C)n1 ZINC000622682470 1066487522 /nfs/dbraw/zinc/48/75/22/1066487522.db2.gz WTSJOMUVLHAIJN-UHFFFAOYSA-N 0 2 500.005 4.923 20 0 KJADLN