smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NNC(=O)c2cccc(Nc3nn[nH]n3)c2)c(Cl)c1 ZINC001140951904 1428834058 /nfs/dbraw/zinc/83/40/58/1428834058.db2.gz YLSSIAOJATUJAW-UHFFFAOYSA-N 0 2 343.778 2.662 10 50 EFGELN