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(N)(=O)=O)cc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000020395652 525640511 /nfs/dbraw/zinc/64/05/11/525640511.db2.gz YSNQQTSNLAFJFU-UHFFFAOYSA-N 0 2 455.521 1.995 10 30 JDEELN