smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc21 ZINC000095558176 208233373 /nfs/dbraw/zinc/23/33/73/208233373.db2.gz JNXZPVRXTJWNTA-UHFFFAOYSA-N 0 2 390.812 2.317 1 10 GECFLN