smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2ccc(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cc2)CC1 ZINC000771852199 1126109053 /nfs/dbraw/zinc/10/90/53/1126109053.db2.gz HHZYBPLTEDDTIM-SFTDATJTSA-N 1 1 407.480 3.063 20 10 HGCDMO CN1CCN(c2ccc(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cc2)CC1 ZINC000771852197 1126109063 /nfs/dbraw/zinc/10/90/63/1126109063.db2.gz HHZYBPLTEDDTIM-RTWAWAEBSA-N 1 1 407.480 3.063 20 10 HGCDMO CN1CCN(c2ccc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000771852186 1126109044 /nfs/dbraw/zinc/10/90/44/1126109044.db2.gz HHZYBPLTEDDTIM-LEWJYISDSA-N 1 1 407.480 3.063 20 10 HGCDMO CN1CCN(c2ccc(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000771852194 1126109029 /nfs/dbraw/zinc/10/90/29/1126109029.db2.gz HHZYBPLTEDDTIM-NHCUHLMSSA-N 1 1 407.480 3.063 20 10 HGCDMO