smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1cc(-c2ccccc2)on1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000217864262 523161964 /nfs/dbraw/zinc/16/19/64/523161964.db2.gz GGLAIYAOLCPRFJ-UHFFFAOYSA-N -1 1 360.373 2.850 50 70 FFIAMM O=C(NCCc1nnc2ccccn21)c1c[nH]c2ccc(Cl)cc2c1=O ZINC000218216444 509275152 /nfs/dbraw/zinc/27/51/52/509275152.db2.gz VIDRUFLNZDUAPN-UHFFFAOYSA-N -1 1 367.796 2.609 50 70 FFIAMM Cc1c[nH]c(CN(C)C(=O)c2cnc(SCc3ccccc3)[n-]c2=O)n1 ZINC000217062865 509266495 /nfs/dbraw/zinc/26/64/95/509266495.db2.gz GBNOJWLEPKJUOC-UHFFFAOYSA-N -1 1 369.450 2.778 50 70 FFIAMM CC(C)n1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c2ccccc2c1=O ZINC000218431753 509276101 /nfs/dbraw/zinc/27/61/01/509276101.db2.gz LXMNWANVQSNBSQ-UHFFFAOYSA-N -1 1 365.315 2.972 50 70 FFIAMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cnn(CC2CCOCC2)c1 ZINC000218245761 509275205 /nfs/dbraw/zinc/27/52/05/509275205.db2.gz AOAPHVPJWJXDCB-UHFFFAOYSA-N -1 1 371.409 2.530 50 70 FFIAMM