smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(-c2n[n-]c(=S)[nH]2)ccc1NN=Nc1ccc(C(=O)[O-])cc1 ZINC000006040693 209141504 /nfs/dbraw/zinc/14/15/04/209141504.db2.gz QXDJHBQAKYTEPG-UHFFFAOYSA-N -2 1 380.433 4.672 1 30 GJEFML