smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([O-])cc([O-])c1[N+](=O)[O-] 113043217 572206407 /nfs/dbraw/zinc/20/64/07/572206407.db2.gz IABBMJSHIUWVAQ-UHFFFAOYSA-N -2 3 185.135 1.015 10 5 ADBEHL Cc1cc([O-])cc([O-])c1[N+](=O)[O-] 115747666 572631809 /nfs/dbraw/zinc/63/18/09/572631809.db2.gz VUWARKWLSXJGBM-UHFFFAOYSA-N -2 3 169.136 1.314 10 5 ADBEHL Cc1c([O-])cc(C(=O)[O-])cc1[N+](=O)[O-] 6520488 343015188 /nfs/dbraw/zinc/01/51/88/343015188.db2.gz JOXQJFFUMZMILL-UHFFFAOYSA-N -2 3 197.146 1.307 10 5 ADBEHL