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(c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-])N1CCNC(=O)C1 ZINC000914431984 1077554141 /nfs/dbraw/zinc/55/41/41/1077554141.db2.gz PYOVYRVHVVGCLU-UHFFFAOYSA-N -2 3 420.403 0.673 20 10 HCCDHL O=C([N-]c1n[n-]c(C2=S=CC=C2)n1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000917128293 1078228443 /nfs/dbraw/zinc/22/84/43/1078228443.db2.gz QPSKEUIZMBLSTB-UHFFFAOYSA-N -2 3 409.449 0.297 20 10 HCCDHL