smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCCc1csc(NC(=O)c2ccccc2[O-])n1 ZINC000159988963 601745438 /nfs/dbraw/zinc/74/54/38/601745438.db2.gz CCUYPFHGAVUGJA-UHFFFAOYSA-N -2 1 306.343 2.508 20 70 DFIDML