smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)/C=C\c1oc2ccc(O)cc2c1[N+](=O)[O-] ZINC000103852801 410916588 /nfs/dbraw/zinc/91/65/88/410916588.db2.gz XEULJPQFOBUHGA-WAYWQWQTSA-N -1 2 248.238 2.579 50 5 BFBALM