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)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1 ZINC000095937429 473224905 /nfs/dbraw/zinc/22/49/05/473224905.db2.gz ZACIGTDVMNBTDK-UHFFFAOYSA-N 1 2 342.464 2.502 30 0 EFACLO