smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)CN(c2cccc([N+](=O)[O-])c2)C2=[NH+]CCCCC2)cc1 ZINC000008411436 571045970 /nfs/dbraw/zinc/04/59/70/571045970.db2.gz HORAZIQRYZNBAI-UHFFFAOYSA-N 1 2 365.433 4.565 40 5 FJBBLO COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(O)cc3)c2n1 ZINC000095865023 570471384 /nfs/dbraw/zinc/47/13/84/570471384.db2.gz OHLFWLUPLZLCGD-UHFFFAOYSA-N 1 2 351.793 4.894 40 5 FJBBLO