smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1C[N@H+]1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000022926112 182341074 /nfs/dbraw/zinc/34/10/74/182341074.db2.gz FNHBKSGFXNXDLJ-HXUWFJFHSA-N 1 1 322.452 3.415 3 10 DGCFMO Oc1ccccc1CN1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000022926112 182341077 /nfs/dbraw/zinc/34/10/77/182341077.db2.gz FNHBKSGFXNXDLJ-HXUWFJFHSA-N 1 1 322.452 3.415 3 10 DGCFMO Oc1ccccc1CN1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000022926112 182341080 /nfs/dbraw/zinc/34/10/80/182341080.db2.gz FNHBKSGFXNXDLJ-HXUWFJFHSA-N 1 1 322.452 3.415 3 10 DGCFMO c1c2c(cc3c1[C@H]1CC[N@H+]4CCC[C@@]56CC[C@@]1([C@@H]45)N3CC6)OCO2 ZINC000004716568 181141741 /nfs/dbraw/zinc/14/17/41/181141741.db2.gz FPOYZIKPNXUUMK-QRKUABHPSA-N 1 1 324.424 3.110 1 10 DGCFMO C[N@H+]1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC000026396282 283171513 /nfs/dbraw/zinc/17/15/13/283171513.db2.gz IRCCNHZTYVNMQW-CQSZACIVSA-N 1 1 319.788 3.077 1 10 DGCFMO Oc1ccccc1C[N@H+]1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000022926117 182341479 /nfs/dbraw/zinc/34/14/79/182341479.db2.gz FNHBKSGFXNXDLJ-FQEVSTJZSA-N 1 1 322.452 3.415 3 10 DGCFMO Oc1ccccc1CN1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000022926117 182341480 /nfs/dbraw/zinc/34/14/80/182341480.db2.gz FNHBKSGFXNXDLJ-FQEVSTJZSA-N 1 1 322.452 3.415 3 10 DGCFMO Oc1ccccc1CN1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000022926117 182341483 /nfs/dbraw/zinc/34/14/83/182341483.db2.gz FNHBKSGFXNXDLJ-FQEVSTJZSA-N 1 1 322.452 3.415 3 10 DGCFMO c1coc(-c2ccc(N3CC[NH+](Cc4cccnc4)CC3)cc2)n1 ZINC000095588341 185382166 /nfs/dbraw/zinc/38/21/66/185382166.db2.gz WLPBPBHGIOOFNC-UHFFFAOYSA-N 1 1 320.396 3.059 1 10 DGCFMO