smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000514384490 1066304725 /nfs/dbraw/zinc/30/47/25/1066304725.db2.gz SVYVLMCBDNEDHN-GOSISDBHSA-N -1 3 508.622 2.322 20 5 KEBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000514384491 1066305027 /nfs/dbraw/zinc/30/50/27/1066305027.db2.gz SVYVLMCBDNEDHN-SFHVURJKSA-N -1 3 508.622 2.322 20 5 KEBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(=O)N3CCN(CC(=O)NC(C)C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000514402069 1066328811 /nfs/dbraw/zinc/32/88/11/1066328811.db2.gz DMILUEIWUWAJIM-UHFFFAOYSA-N -1 3 546.650 2.093 20 5 KEBDHM