smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1c2ccccc2C(=NNc2nc(-c3ccccc3)cs2)C1=O ZINC000101757004 204020886 /nfs/dbraw/zinc/02/08/86/204020886.db2.gz MHUVBYNOQINRTD-QZQOTICOSA-N 0 2 334.404 5.423 1 10 EKCFLN