smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O ZINC000000608172 414980854 /nfs/dbraw/zinc/98/08/54/414980854.db2.gz OVCDSSHSILBFBN-UHFFFAOYSA-N 2 2 355.869 5.179 50 10 world FKCALP Oc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1C[NH+]1CCCCC1 ZINC000001596599 571232148 /nfs/dbraw/zinc/23/21/48/571232148.db2.gz UJYGGGZVCNIHER-UHFFFAOYSA-N 2 2 367.880 5.323 50 10 FKCALP CC(C)(C)[NH2+]Cc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1O ZINC000001912685 204022477 /nfs/dbraw/zinc/02/24/77/204022477.db2.gz ZVMMVSSEAMUNGI-UHFFFAOYSA-N 2 2 355.869 5.226 50 10 in-vivo FKCALP