smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NN=c2[nH]c3nonc3nc2NN=C2C(=O)NC(=O)NC2=O)cc1 ZINC000408721813 231105660 /nfs/dbraw/zinc/10/56/60/231105660.db2.gz ZITKQMADZZMASF-UHFFFAOYSA-N 0 2 396.327 -1.262 40 30 GAEBLN