smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2[nH][nH]c(=NC(=O)c3cc(O)c4ccccc4c3)c2C)o1 ZINC000438882971 1039171278 /nfs/dbraw/zinc/17/12/78/1039171278.db2.gz GDFADGGIJHZMDL-UHFFFAOYSA-N -2 2 347.374 3.820 20 0 EHADLL