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(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000216843434 568468152 /nfs/dbraw/zinc/46/81/52/568468152.db2.gz FXJLMPLGDWXULI-UHFFFAOYSA-N -1 0 407.452 -0.440 40 70 HBIBRM