smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)NC(=O)C1=CNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005544397 484150950 /nfs/dbraw/zinc/15/09/50/484150950.db2.gz JZSMNKKOASQUEU-UHFFFAOYSA-N -1 1 352.288 -0.166 50 10 FBCAMM CN(C)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000006693942 207154145 /nfs/dbraw/zinc/15/41/45/207154145.db2.gz XVVAMETXADALSG-UHFFFAOYSA-N -1 1 354.413 -0.236 50 10 FBCAMM CCN1C(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)[N-]C1=S ZINC000013125470 483460197 /nfs/dbraw/zinc/46/01/97/483460197.db2.gz FAAYZVNICAYAQN-JXMROGBWSA-N -1 1 354.413 -0.107 50 10 aggregator FBCAMM CN(C)c1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F ZINC000058179681 483683752 /nfs/dbraw/zinc/68/37/52/483683752.db2.gz KACNHLRQHBQDCT-UHFFFAOYSA-N -1 1 370.406 -0.232 50 10 FBCAMM