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(COCP(=O)([O-])[O-])NO 29057302 169321938 /nfs/dbraw/zinc/32/19/38/169321938.db2.gz GEKHOMJHDHFAMX-UHFFFAOYSA-N -2 1 185.072 -1.356 1 30 AAEFML