smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCN(C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000001323632 194085240 /nfs/dbraw/zinc/08/52/40/194085240.db2.gz JVBLVRWDMBOQMH-UHFFFAOYSA-N -2 2 480.568 1.418 50 0 JDAALL