smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccccc1/N=N/[C@H]1SC(=S)N(c2ccccc2)C1=O ZINC000100371208 570503288 /nfs/dbraw/zinc/50/32/88/570503288.db2.gz WHIBGVLSVNUPGY-BZSIDJSBSA-N -1 2 357.416 3.860 40 10 FHCBLM CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=NNc1ccccc1 ZINC000003954028 560191654 /nfs/dbraw/zinc/19/16/54/560191654.db2.gz XYRJCVNSUGQSQU-ISLYRVAYSA-N -1 2 358.379 3.548 40 10 in-vitro FHCBLM O=C([O-])c1ccccc1/N=N\[C@H]1SC(=S)N(c2ccccc2)C1=O ZINC000068562374 571153150 /nfs/dbraw/zinc/15/31/50/571153150.db2.gz WHIBGVLSVNUPGY-FKEVTRRJSA-N -1 2 357.416 3.860 40 10 FHCBLM O=C([O-])c1ccccc1/N=N\[C@@H]1SC(=S)N(c2ccccc2)C1=O ZINC000068562371 221317114 /nfs/dbraw/zinc/31/71/14/221317114.db2.gz WHIBGVLSVNUPGY-XAGMJWQQSA-N -1 2 357.416 3.860 40 10 FHCBLM O=C([O-])c1ccccc1/N=N/[C@@H]1SC(=S)N(c2ccccc2)C1=O ZINC000100371200 222243507 /nfs/dbraw/zinc/24/35/07/222243507.db2.gz WHIBGVLSVNUPGY-OYLHUBKDSA-N -1 2 357.416 3.860 40 10 FHCBLM