smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc2c(nc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000016400381 527560331 /nfs/dbraw/zinc/56/03/31/527560331.db2.gz HTVGVXNFAHFXCZ-PZXWRFTPSA-N 1 2 486.489 -1.404 40 30 JAEBLO Nc1nc2c(nc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000016400384 527559232 /nfs/dbraw/zinc/55/92/32/527559232.db2.gz HTVGVXNFAHFXCZ-PSAMNDEPSA-N 1 2 486.489 -1.404 40 30 JAEBLO Nc1nc2c(nc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000016400387 556137804 /nfs/dbraw/zinc/13/78/04/556137804.db2.gz HTVGVXNFAHFXCZ-DXBNJBIYSA-N 1 2 486.489 -1.404 40 30 JAEBLO Nc1nc2c(nc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000035183230 569677773 /nfs/dbraw/zinc/67/77/73/569677773.db2.gz HTVGVXNFAHFXCZ-NOCIYMNASA-N 1 2 486.489 -1.404 40 30 JAEBLO Nc1nc2c(nc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000035183231 569677807 /nfs/dbraw/zinc/67/78/07/569677807.db2.gz HTVGVXNFAHFXCZ-UWTSOJARSA-N 1 2 486.489 -1.404 40 30 JAEBLO