smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)[N-]C1=S ZINC000005919486 557680930 /nfs/dbraw/zinc/68/09/30/557680930.db2.gz ASOUAWWQHYKONI-SREVYHEPSA-N -1 1 406.428 -1.966 50 10 HACAMM CCN1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)[N-]C1=S ZINC000038176350 568975186 /nfs/dbraw/zinc/97/51/86/568975186.db2.gz ASOUAWWQHYKONI-VOTSOKGWSA-N -1 1 406.428 -1.125 50 10 HACAMM