smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=CCS[C@H]12)c1csc(NC(=O)[C@H](C)N)n1 ZINC000043211825 554298355 /nfs/dbraw/zinc/29/83/55/554298355.db2.gz VOPANQNVVCPHQR-IVVGYLHBSA-N 0 3 568.634 0.803 10 30 in-man KCEEHN