smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c[nH]c1CSCC[NH2+]C[C@@]1(O)C[NH2+]CCOC1 ZINC000077555643 374724303 /nfs/dbraw/zinc/72/43/03/374724303.db2.gz BCXCWPMNEGOXOK-ZDUSSCGKSA-N 3 2 300.428 -0.108 50 10 DBCALP Cc1[nH+]c[nH]c1CSCC[NH2+]C[C@]1(O)C[NH2+]CCOC1 ZINC000077555639 374723672 /nfs/dbraw/zinc/72/36/72/374723672.db2.gz BCXCWPMNEGOXOK-CYBMUJFWSA-N 3 2 300.428 -0.108 50 10 DBCALP