smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc([C@H]2[NH2+][C@](CCSC)(C(=O)[O-])[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1[O-] ZINC000008873406 521425147 /nfs/dbraw/zinc/42/51/47/521425147.db2.gz ZDMUFUSVYQUKEI-MIOZMULLSA-N -1 3 484.574 2.813 10 10 JFCEHM