smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@]12CCC[C@@H]3C[C@@]([C@H]4CCC[C@H](Cc5ccc(N)[nH+]c5)C4)(C[C@@]([NH3+])(CCO)[C@@H]31)O2 ZINC000085543240 291256551 /nfs/dbraw/zinc/25/65/51/291256551.db2.gz YMAGGZDWBUAIJN-DLDMKGCKSA-N 2 1 413.606 3.830 1 0 biogenic,in-vitro HHAFMP CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)[nH+]c4)C3)C[C@@H]3CC[C@H](CO)[C@]([NH3+])(C2)[C@@H]31 ZINC000085543198 291248658 /nfs/dbraw/zinc/24/86/58/291248658.db2.gz RVTXERZIRMACGH-AUVNHWKWSA-N 2 1 413.606 3.686 1 0 biogenic,in-vitro HHAFMP CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)[nH+]c4)C3)CC[C@@H]1[C@]([NH3+])(CCCO)C2 ZINC000085543264 291248676 /nfs/dbraw/zinc/24/86/76/291248676.db2.gz STTSAMAMJQQJKW-XMPUZHHRSA-N 2 1 401.595 3.830 1 0 biogenic,in-vitro HHAFMP