smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1S(=O)(=O)Nc1nc(-c2ccncc2)cs1 ZINC001259555458 1072918568 /nfs/dbraw/zinc/91/85/68/1072918568.db2.gz CCYDQOQPDSWOEW-UHFFFAOYSA-N 0 2 500.005 5.612 20 10 KKCDLN