smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1-c1cc(C(=O)Nc2ccccc2-c2csc(C)n2)[nH]n1 ZINC000218597136 570931161 /nfs/dbraw/zinc/93/11/61/570931161.db2.gz JBWQLQKDHFSYNH-UHFFFAOYSA-N 0 1 390.468 4.770 50 70 GJIAMN