smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]n(-c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)c(=O)c1NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21 ZINC000169330691 562858768 /nfs/dbraw/zinc/85/87/68/562858768.db2.gz BBQXXHZRZHBIPJ-WCWDXBQESA-N -2 2 573.392 4.548 1 10 KJCFLL CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH+](C)C)c(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299849592 562890503 /nfs/dbraw/zinc/89/05/03/562890503.db2.gz MLCFJDJPAIZRMR-WQDCEMHHSA-N -2 2 754.874 4.816 1 10 KJCFLL