smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(C(=O)CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1 ZINC001607896977 1072687857 /nfs/dbraw/zinc/68/78/57/1072687857.db2.gz MROTUULJAGRPTR-UHFFFAOYSA-N -2 3 438.531 0.758 20 10 ICCDHL