smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OC)cc3O)C2)cc1 ZINC000011754026 204352107 /nfs/dbraw/zinc/35/21/07/204352107.db2.gz BRSWGPNEVYKSIC-HXUWFJFHSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(OC)cc3O)C2)cc1 ZINC000011754026 204352111 /nfs/dbraw/zinc/35/21/11/204352111.db2.gz BRSWGPNEVYKSIC-HXUWFJFHSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(OC)cc3O)C2)cc1 ZINC000011754026 204352115 /nfs/dbraw/zinc/35/21/15/204352115.db2.gz BRSWGPNEVYKSIC-HXUWFJFHSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2c(O)cccc2OC)C1 ZINC000014969088 570867491 /nfs/dbraw/zinc/86/74/91/570867491.db2.gz XQXXXFPQHYNAJI-IBGZPJMESA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2c(O)cccc2OC)C1 ZINC000014969088 570867495 /nfs/dbraw/zinc/86/74/95/570867495.db2.gz XQXXXFPQHYNAJI-IBGZPJMESA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2c(O)cccc2OC)C1 ZINC000014969088 570867500 /nfs/dbraw/zinc/86/75/00/570867500.db2.gz XQXXXFPQHYNAJI-IBGZPJMESA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2c(O)cccc2OC)C1 ZINC000014969088 570867504 /nfs/dbraw/zinc/86/75/04/570867504.db2.gz XQXXXFPQHYNAJI-IBGZPJMESA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccc(CC[N@H+](Cc2c(O)cccc2OC)CC2CC[NH+](C)CC2)cc1 ZINC000012442107 570664833 /nfs/dbraw/zinc/66/48/33/570664833.db2.gz XGECCFBJXOTJKX-UHFFFAOYSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1 ZINC000011818818 204355308 /nfs/dbraw/zinc/35/53/08/204355308.db2.gz OEAGANQWIXJXEC-DEOSSOPVSA-N 2 1 380.532 3.931 50 10 GHCAMP COc1ccc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1 ZINC000011818818 204355311 /nfs/dbraw/zinc/35/53/11/204355311.db2.gz OEAGANQWIXJXEC-DEOSSOPVSA-N 2 1 380.532 3.931 50 10 GHCAMP COc1ccc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000011818818 204355316 /nfs/dbraw/zinc/35/53/16/204355316.db2.gz OEAGANQWIXJXEC-DEOSSOPVSA-N 2 1 380.532 3.931 50 10 GHCAMP COc1ccc(O)c(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c1 ZINC000012431561 570659690 /nfs/dbraw/zinc/65/96/90/570659690.db2.gz NCHCWGQDFPHLEN-UHFFFAOYSA-N 2 1 386.511 3.926 50 10 GHCAMP COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1O ZINC000011838577 858959803 /nfs/dbraw/zinc/95/98/03/858959803.db2.gz YPZJHCDEJFVXIO-IBGZPJMESA-N 2 1 386.511 3.926 50 10 GHCAMP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1O ZINC000011838577 858959810 /nfs/dbraw/zinc/95/98/10/858959810.db2.gz YPZJHCDEJFVXIO-IBGZPJMESA-N 2 1 386.511 3.926 50 10 GHCAMP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1O ZINC000011838577 858959815 /nfs/dbraw/zinc/95/98/15/858959815.db2.gz YPZJHCDEJFVXIO-IBGZPJMESA-N 2 1 386.511 3.926 50 10 GHCAMP COc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1 ZINC000011818817 204354886 /nfs/dbraw/zinc/35/48/86/204354886.db2.gz OEAGANQWIXJXEC-XMMPIXPASA-N 2 1 380.532 3.931 50 10 GHCAMP COc1ccc(O)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1 ZINC000011818817 204354890 /nfs/dbraw/zinc/35/48/90/204354890.db2.gz OEAGANQWIXJXEC-XMMPIXPASA-N 2 1 380.532 3.931 50 10 GHCAMP COc1ccc(O)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000011818817 204354894 /nfs/dbraw/zinc/35/48/94/204354894.db2.gz OEAGANQWIXJXEC-XMMPIXPASA-N 2 1 380.532 3.931 50 10 GHCAMP COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1O ZINC000011838579 858959851 /nfs/dbraw/zinc/95/98/51/858959851.db2.gz YPZJHCDEJFVXIO-LJQANCHMSA-N 2 1 386.511 3.926 50 10 GHCAMP COc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1O ZINC000011838579 858959859 /nfs/dbraw/zinc/95/98/59/858959859.db2.gz YPZJHCDEJFVXIO-LJQANCHMSA-N 2 1 386.511 3.926 50 10 GHCAMP COc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1O ZINC000011838579 858959867 /nfs/dbraw/zinc/95/98/67/858959867.db2.gz YPZJHCDEJFVXIO-LJQANCHMSA-N 2 1 386.511 3.926 50 10 GHCAMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c(O)c1 ZINC000011844403 857581445 /nfs/dbraw/zinc/58/14/45/857581445.db2.gz MAVFNTMNDCBJRJ-IBGZPJMESA-N 2 1 386.511 3.926 50 10 GHCAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c(O)c1 ZINC000011844403 857581451 /nfs/dbraw/zinc/58/14/51/857581451.db2.gz MAVFNTMNDCBJRJ-IBGZPJMESA-N 2 1 386.511 3.926 50 10 GHCAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(O)c1 ZINC000011844403 857581455 /nfs/dbraw/zinc/58/14/55/857581455.db2.gz MAVFNTMNDCBJRJ-IBGZPJMESA-N 2 1 386.511 3.926 50 10 GHCAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000095459051 136179320 /nfs/dbraw/zinc/17/93/20/136179320.db2.gz WWDJBKVZVTWRLB-IBGZPJMESA-N 3 1 389.547 3.783 50 10 GHCAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OC)cc3O)C2)cc1 ZINC000011754025 570433113 /nfs/dbraw/zinc/43/31/13/570433113.db2.gz BRSWGPNEVYKSIC-FQEVSTJZSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(OC)cc3O)C2)cc1 ZINC000011754025 570433116 /nfs/dbraw/zinc/43/31/16/570433116.db2.gz BRSWGPNEVYKSIC-FQEVSTJZSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(OC)cc3O)C2)cc1 ZINC000011754025 570433121 /nfs/dbraw/zinc/43/31/21/570433121.db2.gz BRSWGPNEVYKSIC-FQEVSTJZSA-N 2 1 398.547 3.796 50 10 GHCAMP Cc1cc(=O)oc2c(C)c(O)c(C[N@H+](C)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12 ZINC000524730019 570420657 /nfs/dbraw/zinc/42/06/57/570420657.db2.gz RIJRAOMXGWECHM-FXAWDEMLSA-N 2 1 384.520 3.812 50 10 biogenic GHCAMP Cc1cc(=O)oc2c(C)c(O)c(C[N@@H+](C)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12 ZINC000524730019 570420658 /nfs/dbraw/zinc/42/06/58/570420658.db2.gz RIJRAOMXGWECHM-FXAWDEMLSA-N 2 1 384.520 3.812 50 10 biogenic GHCAMP Cc1cc(=O)oc2c(C)c(O)c(C[NH+](C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc12 ZINC000524730019 570420660 /nfs/dbraw/zinc/42/06/60/570420660.db2.gz RIJRAOMXGWECHM-FXAWDEMLSA-N 2 1 384.520 3.812 50 10 biogenic GHCAMP Cc1cc(=O)oc2c(C)c(O)c(C[NH+](C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc12 ZINC000524730019 570420661 /nfs/dbraw/zinc/42/06/61/570420661.db2.gz RIJRAOMXGWECHM-FXAWDEMLSA-N 2 1 384.520 3.812 50 10 biogenic GHCAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000095459050 136179226 /nfs/dbraw/zinc/17/92/26/136179226.db2.gz WWDJBKVZVTWRLB-LJQANCHMSA-N 3 1 389.547 3.783 50 10 GHCAMP CCN1c2ccccc2SC1=Cc1cc(C)[n+](N2CC[NH+](C)CC2)c(C)c1 ZINC000003179411 862235544 /nfs/dbraw/zinc/23/55/44/862235544.db2.gz MHBXTXMSQAOINZ-UHFFFAOYSA-N 2 1 381.569 3.878 50 10 GHCAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cc(OC)ccc3O)CC2)cc1 ZINC000015065343 210145705 /nfs/dbraw/zinc/14/57/05/210145705.db2.gz YBXJYARVDNISID-UHFFFAOYSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccc(O)c(C[N@@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)c1 ZINC000012429285 862323292 /nfs/dbraw/zinc/32/32/92/862323292.db2.gz ZJTFQFBSNOVULI-UHFFFAOYSA-N 2 1 386.511 3.926 50 10 GHCAMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c(O)c1 ZINC000011844404 857581476 /nfs/dbraw/zinc/58/14/76/857581476.db2.gz MAVFNTMNDCBJRJ-LJQANCHMSA-N 2 1 386.511 3.926 50 10 GHCAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c(O)c1 ZINC000011844404 857581483 /nfs/dbraw/zinc/58/14/83/857581483.db2.gz MAVFNTMNDCBJRJ-LJQANCHMSA-N 2 1 386.511 3.926 50 10 GHCAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(O)c1 ZINC000011844404 857581487 /nfs/dbraw/zinc/58/14/87/857581487.db2.gz MAVFNTMNDCBJRJ-LJQANCHMSA-N 2 1 386.511 3.926 50 10 GHCAMP Cc1c(C)c(=O)oc2c1ccc([O-])c2C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731031 570765316 /nfs/dbraw/zinc/76/53/16/570765316.db2.gz HRDURUSTQFCTOI-FXAWDEMLSA-N 2 1 384.520 3.812 50 10 biogenic GHCAMP Cc1c(C)c(=O)oc2c1ccc([O-])c2C[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524731031 570765318 /nfs/dbraw/zinc/76/53/18/570765318.db2.gz HRDURUSTQFCTOI-FXAWDEMLSA-N 2 1 384.520 3.812 50 10 biogenic GHCAMP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2c(O)cccc2OC)C1 ZINC000014969092 221321894 /nfs/dbraw/zinc/32/18/94/221321894.db2.gz XQXXXFPQHYNAJI-LJQANCHMSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2c(O)cccc2OC)C1 ZINC000014969092 221321898 /nfs/dbraw/zinc/32/18/98/221321898.db2.gz XQXXXFPQHYNAJI-LJQANCHMSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2c(O)cccc2OC)C1 ZINC000014969092 221321900 /nfs/dbraw/zinc/32/19/00/221321900.db2.gz XQXXXFPQHYNAJI-LJQANCHMSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2c(O)cccc2OC)C1 ZINC000014969092 221321904 /nfs/dbraw/zinc/32/19/04/221321904.db2.gz XQXXXFPQHYNAJI-LJQANCHMSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1cccc(O)c1C[N@@H+](C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000011879852 221134542 /nfs/dbraw/zinc/13/45/42/221134542.db2.gz CBZFNRHYODWMPM-UHFFFAOYSA-N 2 1 386.511 3.926 50 10 GHCAMP COCC[N@H+](Cc1ccccc1O)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012431876 221193813 /nfs/dbraw/zinc/19/38/13/221193813.db2.gz WFBIDYGKMYBYIF-UHFFFAOYSA-N 2 1 386.511 3.892 50 10 GHCAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3c(O)cccc3OC)CC2)cc1 ZINC000012075058 221147943 /nfs/dbraw/zinc/14/79/43/221147943.db2.gz FRPZEFISGYGTCV-UHFFFAOYSA-N 2 1 398.547 3.796 50 10 GHCAMP COc1ccc(CC[N@H+](Cc2cccc(OC)c2O)CC2CC[NH+](C)CC2)cc1 ZINC000014977175 221324036 /nfs/dbraw/zinc/32/40/36/221324036.db2.gz FQCUSVDMJNFKEP-UHFFFAOYSA-N 2 1 398.547 3.796 50 10 GHCAMP