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([O-])c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048795497 431932258 /nfs/dbraw/zinc/93/22/58/431932258.db2.gz VCQYDLJYRRJXIA-UHFFFAOYSA-N -2 1 322.158 3.465 50 10 DGCAML Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(C)o1 ZINC000095464222 185371553 /nfs/dbraw/zinc/37/15/53/185371553.db2.gz QSMOAKUVLSVLIS-UHFFFAOYSA-N -2 1 301.751 3.056 50 10 DGCAML O=C1[N-]C(=S)S/C1=C/c1cc(Cl)c([O-])c(Cl)c1 ZINC000001483583 431229680 /nfs/dbraw/zinc/22/96/80/431229680.db2.gz GSJQEDCPPJYLPN-XVNBXDOJSA-N -2 1 306.195 3.188 50 10 DGCAML