smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CCOc2nc3c(ncn3[C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c(N)n2)cc1 ZINC000000599930 581091547 /nfs/dbraw/zinc/09/15/47/581091547.db2.gz SRWUHMQKNPGXOP-OWCBBSPXSA-N 0 0 401.423 -0.050 1 0 HBAFRN CC(C)(O)[C@H]1Cc2cc3ccc(=O)oc3c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2O1 ZINC000001531453 574411206 /nfs/dbraw/zinc/41/12/06/574411206.db2.gz JWWFVRMFYKPZNE-FXODAGGUSA-N 0 0 424.402 -0.954 1 0 endogenous,in-man HBAFRN O=C1CN(c2ccccc2)C(=O)CN1NCNN1CC(=O)N(c2ccccc2)CC1=O ZINC000001635873 132247123 /nfs/dbraw/zinc/24/71/23/132247123.db2.gz GFMOXJTUIZVABH-UHFFFAOYSA-N 0 0 422.445 -0.296 1 0 HBAFRN COc1nc2c(c(=O)n1C)N(C(C)=O)[C@@H]1[C@@H](N2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000001638979 132247207 /nfs/dbraw/zinc/24/72/07/132247207.db2.gz WMDUAQNMKYJNAK-OICBVUGWSA-N 0 0 410.383 -0.844 1 0 HBAFRN 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