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@](CC(C)C)(C(=O)[O-])[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1[O-] ZINC000004126793 194380899 /nfs/dbraw/zinc/38/08/99/194380899.db2.gz OJTGKXVLSPYBII-MAUQACMESA-N -1 3 466.534 3.106 10 10 JGCEHM O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)[N-]C1=NCCS1 ZINC000033417349 526475989 /nfs/dbraw/zinc/47/59/89/526475989.db2.gz KOVOTTFNMAEFRF-FMIVXFBMSA-N -1 3 456.412 3.259 10 10 JGCEHM