smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [N-]=[N+]=NCc1ccc(C(O)=CC(=O)C(=O)[O-])cc1 ZINC000013488689 187251339 /nfs/dbraw/zinc/25/13/39/187251339.db2.gz IOXSZYRLWBCYKV-UHFFFAOYSA-N -1 2 247.210 1.723 1 10 BDCFLM O=C([O-])c1cc2ccc(O)c(=O)c-2c(O)c(O)c1 ZINC000003198923 560188757 /nfs/dbraw/zinc/18/87/57/560188757.db2.gz XCSLJQFPTAZKDV-UHFFFAOYSA-N -1 2 248.190 1.015 3 10 in-vitro BDCFLM