smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC2)c([N+](=O)[O-])c1 ZINC000514388696 1066221623 /nfs/dbraw/zinc/22/16/23/1066221623.db2.gz WTPIHFFXUHBGET-UHFFFAOYSA-N -1 3 573.426 0.999 20 5 KCBDHM