smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] ZINC000034803923 563087776 /nfs/dbraw/zinc/08/77/76/563087776.db2.gz PRYRPDIVSJIODL-UHFFFAOYSA-N -4 3 430.459 5.249 10 30 IKEEHL Cc1ccc2[nH]c(-c3cc(N=Cc4cc(C)cc(Br)c4[O-])ccc3[O-])nc2c1 ZINC000020075302 569333761 /nfs/dbraw/zinc/33/37/61/569333761.db2.gz LJJLYLODFNKTNE-BHGWPJFGSA-N -2 3 436.309 5.771 10 30 IKEEHL Cc1ccc2nc(-c3cc(N=Cc4cc(C)cc(Br)c4[O-])ccc3[O-])[nH]c2c1 ZINC000020075302 569333763 /nfs/dbraw/zinc/33/37/63/569333763.db2.gz LJJLYLODFNKTNE-BHGWPJFGSA-N -2 3 436.309 5.771 10 30 IKEEHL Cc1cc([O-])c(C(C)C)cc1/N=C/c1cc(Br)c([O-])c(Br)c1 ZINC000059506301 563146639 /nfs/dbraw/zinc/14/66/39/563146639.db2.gz QCDAWJOLBNAMIZ-DNTJNYDQSA-N -2 3 427.136 5.805 10 30 IKEEHL