smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC=C2C(=O)[N-]C(=O)NC2=O)CC1 ZINC000059490013 569605951 /nfs/dbraw/zinc/60/59/51/569605951.db2.gz LHBCDHKCDDDBBV-UHFFFAOYSA-N -1 0 453.437 -1.303 40 10 JACBRM O=C1[N-]C(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(CCO)CC2)C(=O)N1 ZINC000059490014 195407780 /nfs/dbraw/zinc/40/77/80/195407780.db2.gz UJXPRMUVZJAYCX-UHFFFAOYSA-N -1 0 483.463 -1.940 40 10 JACBRM