smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]cc(S(=O)(=O)[O-])cc1[N+](=O)[O-] ZINC000116884846 370849810 /nfs/dbraw/zinc/84/98/10/370849810.db2.gz FLKXLKXMQGXNRI-UHFFFAOYSA-N -2 3 220.162 -0.058 10 5 BBBEHL