smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NN=C3C(=O)[N-]C(=O)NC3=O)cc2)n1 ZINC000008780090 557808487 /nfs/dbraw/zinc/80/84/87/557808487.db2.gz ZMDVNGCMBAIQBI-UHFFFAOYSA-N -2 0 417.407 0.028 50 30 HCEARL N#Cc1cc2c([n-]c1=O)CCN(C(=O)CC[N-]S(=O)(=O)c1c(F)cccc1F)C2 ZINC000225681743 568778876 /nfs/dbraw/zinc/77/88/76/568778876.db2.gz KONIZPHEJVSXIN-UHFFFAOYSA-N -2 0 422.413 0.778 50 30 HCEARL