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-])c1cc(=O)n(-c2ccc(OCc3ccccc3)cc2)[n-]1 ZINC000217700519 542878153 /nfs/dbraw/zinc/87/81/53/542878153.db2.gz ROXHVOQJPWJNBV-UHFFFAOYSA-N -2 0 310.309 2.855 40 70 DFIBRL O=C([O-])c1cc(NC(=S)NC2CCCCC2)cc(C(=O)[O-])c1 ZINC000216930596 304226123 /nfs/dbraw/zinc/22/61/23/304226123.db2.gz YUFQWWMSWUQUPI-UHFFFAOYSA-N -2 0 322.386 2.702 40 70 DFIBRL