smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(Cc1ccc(-c2ccccc2)cc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000052969628 717130544 /nfs/dbraw/zinc/13/05/44/717130544.db2.gz JECVFMSLAKGHIR-UHFFFAOYSA-N 2 1 403.615 5.670 1 10 HKCFMP