smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C[C@H](NC(=O)CO[P@](=O)([O-])O)C(=O)[O-] ZINC000045350536 175361656 /nfs/dbraw/zinc/36/16/56/175361656.db2.gz SFVAZOUEOAURHO-VKHMYHEASA-N -3 2 271.118 -1.860 1 0 CAAFLL O=C([O-])C[C@H](NC(=O)CO[P@@](=O)([O-])O)C(=O)[O-] ZINC000045350536 175361657 /nfs/dbraw/zinc/36/16/57/175361657.db2.gz SFVAZOUEOAURHO-VKHMYHEASA-N -3 2 271.118 -1.860 1 0 CAAFLL O=C([O-])C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000069480536 574415429 /nfs/dbraw/zinc/41/54/29/574415429.db2.gz BGVSOTZXOHBCMV-HZLVTQRSSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000069480536 574415430 /nfs/dbraw/zinc/41/54/30/574415430.db2.gz BGVSOTZXOHBCMV-HZLVTQRSSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000069480541 574415446 /nfs/dbraw/zinc/41/54/46/574415446.db2.gz BGVSOTZXOHBCMV-NUNKFHFFSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000069480541 574415447 /nfs/dbraw/zinc/41/54/47/574415447.db2.gz BGVSOTZXOHBCMV-NUNKFHFFSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(=O)C[C@@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000003869258 560190373 /nfs/dbraw/zinc/19/03/73/560190373.db2.gz PJWIPEXIFFQAQZ-UYFOZJQFSA-N -2 2 288.145 -2.778 1 0 in-vitro,metabolite CAAFLL O=C([O-])C(=O)C[C@@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000003869258 560190372 /nfs/dbraw/zinc/19/03/72/560190372.db2.gz PJWIPEXIFFQAQZ-UYFOZJQFSA-N -2 2 288.145 -2.778 1 0 in-vitro,metabolite CAAFLL O=C([O-])C[C@@H](O)[C@@H](O)C(=O)CO[P@@](=O)([O-])O ZINC000001529965 574411192 /nfs/dbraw/zinc/41/11/92/574411192.db2.gz OLUPOJQIFXQXIT-AWFVSMACSA-N -2 2 258.119 -2.139 1 0 endogenous,in-vitro CAAFLL O=C([O-])C[C@@H](O)[C@@H](O)C(=O)CO[P@](=O)([O-])O ZINC000001529965 574411193 /nfs/dbraw/zinc/41/11/93/574411193.db2.gz OLUPOJQIFXQXIT-AWFVSMACSA-N -2 2 258.119 -2.139 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O[P@@](=O)([O-])O ZINC000069480513 574415393 /nfs/dbraw/zinc/41/53/93/574415393.db2.gz XPEPNEJTVMFVBX-GJBJXMDJSA-N -2 2 260.091 -3.210 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O[P@](=O)([O-])O ZINC000069480513 574415394 /nfs/dbraw/zinc/41/53/94/574415394.db2.gz XPEPNEJTVMFVBX-GJBJXMDJSA-N -2 2 260.091 -3.210 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000069480555 574415440 /nfs/dbraw/zinc/41/54/40/574415440.db2.gz BIRSGZKFKXLSJQ-AIHAYLRMSA-N -2 2 276.134 -3.376 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000069480555 574415441 /nfs/dbraw/zinc/41/54/41/574415441.db2.gz BIRSGZKFKXLSJQ-AIHAYLRMSA-N -2 2 276.134 -3.376 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000069480551 574415452 /nfs/dbraw/zinc/41/54/52/574415452.db2.gz BIRSGZKFKXLSJQ-SKNVOMKLSA-N -2 2 276.134 -3.376 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000069480551 574415453 /nfs/dbraw/zinc/41/54/53/574415453.db2.gz BIRSGZKFKXLSJQ-SKNVOMKLSA-N -2 2 276.134 -3.376 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000069480526 574415455 /nfs/dbraw/zinc/41/54/55/574415455.db2.gz BGVSOTZXOHBCMV-UZBSEBFBSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000069480526 574415456 /nfs/dbraw/zinc/41/54/56/574415456.db2.gz BGVSOTZXOHBCMV-UZBSEBFBSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@](O)(CO[P@@](=O)([O-])O)[C@H](O)[C@H](O)CO ZINC000004096359 560193895 /nfs/dbraw/zinc/19/38/95/560193895.db2.gz UJTMIRNFEXKGMS-KODRXGBYSA-N -2 2 276.134 -3.375 1 0 in-vitro CAAFLL O=C([O-])[C@](O)(CO[P@](=O)([O-])O)[C@H](O)[C@H](O)CO ZINC000004096359 560193897 /nfs/dbraw/zinc/19/38/97/560193897.db2.gz UJTMIRNFEXKGMS-KODRXGBYSA-N -2 2 276.134 -3.375 1 0 in-vitro CAAFLL O=C([O-])[C@](O)(CO[P@@](=O)([O-])O)[C@@H](O)[C@@H](O)CO ZINC000004096357 560193932 /nfs/dbraw/zinc/19/39/32/560193932.db2.gz UJTMIRNFEXKGMS-FKZODXBYSA-N -2 2 276.134 -3.375 1 0 in-vitro CAAFLL O=C([O-])[C@](O)(CO[P@](=O)([O-])O)[C@@H](O)[C@@H](O)CO ZINC000004096357 560193933 /nfs/dbraw/zinc/19/39/33/560193933.db2.gz UJTMIRNFEXKGMS-FKZODXBYSA-N -2 2 276.134 -3.375 1 0 in-vitro CAAFLL O=C([O-])[C@H]1O[C@@H](O[P@@](=O)([O-])O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000004096695 571685567 /nfs/dbraw/zinc/68/55/67/571685567.db2.gz AIQDYKMWENWVQJ-WAXACMCWSA-N -2 2 274.118 -3.012 1 0 endogenous,in-man CAAFLL O=C([O-])[C@H]1O[C@@H](O[P@](=O)([O-])O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000004096695 571685572 /nfs/dbraw/zinc/68/55/72/571685572.db2.gz AIQDYKMWENWVQJ-WAXACMCWSA-N -2 2 274.118 -3.012 1 0 endogenous,in-man CAAFLL O=C([O-])C(=O)C[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000001529167 574411150 /nfs/dbraw/zinc/41/11/50/574411150.db2.gz OVPRPPOVAXRCED-UCORVYFPSA-N -2 2 258.119 -2.139 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(=O)C[C@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000001529167 574411151 /nfs/dbraw/zinc/41/11/51/574411151.db2.gz OVPRPPOVAXRCED-UCORVYFPSA-N -2 2 258.119 -2.139 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[P@@](=O)([O-])O ZINC000069480516 574415387 /nfs/dbraw/zinc/41/53/87/574415387.db2.gz XPEPNEJTVMFVBX-XZIMBLGRSA-N -2 2 260.091 -3.210 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[P@](=O)([O-])O ZINC000069480516 574415388 /nfs/dbraw/zinc/41/53/88/574415388.db2.gz XPEPNEJTVMFVBX-XZIMBLGRSA-N -2 2 260.091 -3.210 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000069480531 574415449 /nfs/dbraw/zinc/41/54/49/574415449.db2.gz BGVSOTZXOHBCMV-FLRLBIABSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000069480531 574415450 /nfs/dbraw/zinc/41/54/50/574415450.db2.gz BGVSOTZXOHBCMV-FLRLBIABSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000069480528 574415459 /nfs/dbraw/zinc/41/54/59/574415459.db2.gz BGVSOTZXOHBCMV-JJYYJPOSSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000069480528 574415460 /nfs/dbraw/zinc/41/54/60/574415460.db2.gz BGVSOTZXOHBCMV-JJYYJPOSSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(=O)C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000003869256 560190343 /nfs/dbraw/zinc/19/03/43/560190343.db2.gz PJWIPEXIFFQAQZ-LFRDXLMFSA-N -2 2 288.145 -2.778 1 0 in-vitro,metabolite CAAFLL O=C([O-])C(=O)C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000003869256 560190344 /nfs/dbraw/zinc/19/03/44/560190344.db2.gz PJWIPEXIFFQAQZ-LFRDXLMFSA-N -2 2 288.145 -2.778 1 0 in-vitro,metabolite CAAFLL O=C([O-])[C@@H](O)C(=O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000003869563 560190530 /nfs/dbraw/zinc/19/05/30/560190530.db2.gz BDUIIKXSXFDPEC-KUCRYNDESA-N -2 2 274.118 -3.168 1 0 in-vitro,metabolite CAAFLL O=C([O-])[C@@H](O)C(=O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000003869563 560190531 /nfs/dbraw/zinc/19/05/31/560190531.db2.gz BDUIIKXSXFDPEC-KUCRYNDESA-N -2 2 274.118 -3.168 1 0 in-vitro,metabolite CAAFLL O=C([O-])[C@](O)(CO[P@@](=O)([O-])O)[C@H](O)[C@@H](O)CO ZINC000004096358 560193993 /nfs/dbraw/zinc/19/39/93/560193993.db2.gz UJTMIRNFEXKGMS-RPDRRWSUSA-N -2 2 276.134 -3.375 1 0 in-vitro CAAFLL O=C([O-])[C@](O)(CO[P@](=O)([O-])O)[C@H](O)[C@@H](O)CO ZINC000004096358 560193995 /nfs/dbraw/zinc/19/39/95/560193995.db2.gz UJTMIRNFEXKGMS-RPDRRWSUSA-N -2 2 276.134 -3.375 1 0 in-vitro CAAFLL O=C([O-])[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1 ZINC000013539758 560219060 /nfs/dbraw/zinc/21/90/60/560219060.db2.gz ICIUJGMQSZZMJS-MOJAZDJTSA-N -2 2 272.146 -1.940 1 0 in-vitro,metabolite CAAFLL O=C([O-])[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1 ZINC000013539758 560219058 /nfs/dbraw/zinc/21/90/58/560219058.db2.gz ICIUJGMQSZZMJS-MOJAZDJTSA-N -2 2 272.146 -1.940 1 0 in-vitro,metabolite CAAFLL O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000013477407 571702003 /nfs/dbraw/zinc/70/20/03/571702003.db2.gz BIRSGZKFKXLSJQ-MGCNEYSASA-N -2 2 276.134 -3.376 1 0 endogenous,in-vivo CAAFLL O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000013477407 571702005 /nfs/dbraw/zinc/70/20/05/571702005.db2.gz BIRSGZKFKXLSJQ-MGCNEYSASA-N -2 2 276.134 -3.376 1 0 endogenous,in-vivo CAAFLL O=C([O-])C(=O)C[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000001529168 574411143 /nfs/dbraw/zinc/41/11/43/574411143.db2.gz OVPRPPOVAXRCED-WUJLRWPWSA-N -2 2 258.119 -2.139 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(=O)C[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000001529168 574411144 /nfs/dbraw/zinc/41/11/44/574411144.db2.gz OVPRPPOVAXRCED-WUJLRWPWSA-N -2 2 258.119 -2.139 1 0 endogenous,in-vitro CAAFLL O=C([O-])C[C@H](O)[C@@H](O)C(=O)CO[P@@](=O)([O-])O ZINC000001529964 574411182 /nfs/dbraw/zinc/41/11/82/574411182.db2.gz OLUPOJQIFXQXIT-BBIVZNJYSA-N -2 2 258.119 -2.139 1 0 endogenous,in-vitro CAAFLL O=C([O-])C[C@H](O)[C@@H](O)C(=O)CO[P@](=O)([O-])O ZINC000001529964 574411183 /nfs/dbraw/zinc/41/11/83/574411183.db2.gz OLUPOJQIFXQXIT-BBIVZNJYSA-N -2 2 258.119 -2.139 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000100042806 574417222 /nfs/dbraw/zinc/41/72/22/574417222.db2.gz BGVSOTZXOHBCMV-YVZJFKFKSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000100042806 574417223 /nfs/dbraw/zinc/41/72/23/574417223.db2.gz BGVSOTZXOHBCMV-YVZJFKFKSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000100042828 574417225 /nfs/dbraw/zinc/41/72/25/574417225.db2.gz BGVSOTZXOHBCMV-PZGQECOJSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000100042828 574417226 /nfs/dbraw/zinc/41/72/26/574417226.db2.gz BGVSOTZXOHBCMV-PZGQECOJSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000069480521 574415396 /nfs/dbraw/zinc/41/53/96/574415396.db2.gz BGVSOTZXOHBCMV-BXXZVTAOSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000069480521 574415397 /nfs/dbraw/zinc/41/53/97/574415397.db2.gz BGVSOTZXOHBCMV-BXXZVTAOSA-N -2 2 276.134 -1.979 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000069480552 574415424 /nfs/dbraw/zinc/41/54/24/574415424.db2.gz BIRSGZKFKXLSJQ-LECHCGJUSA-N -2 2 276.134 -3.376 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000069480552 574415425 /nfs/dbraw/zinc/41/54/25/574415425.db2.gz BIRSGZKFKXLSJQ-LECHCGJUSA-N -2 2 276.134 -3.376 1 0 endogenous,in-vitro CAAFLL O=C([O-])[C@](O)(CO[P@@](=O)([O-])O)[C@@H](O)[C@H](O)CO ZINC000001529893 560181143 /nfs/dbraw/zinc/18/11/43/560181143.db2.gz UJTMIRNFEXKGMS-IWGUZYHVSA-N -2 2 276.134 -3.375 1 0 in-vitro CAAFLL O=C([O-])[C@](O)(CO[P@](=O)([O-])O)[C@@H](O)[C@H](O)CO ZINC000001529893 560181145 /nfs/dbraw/zinc/18/11/45/560181145.db2.gz UJTMIRNFEXKGMS-IWGUZYHVSA-N -2 2 276.134 -3.375 1 0 in-vitro CAAFLL CC(=O)N[C@H](CCC(=O)O[P@@](=O)([O-])O)C(=O)[O-] ZINC000003870082 560190617 /nfs/dbraw/zinc/19/06/17/560190617.db2.gz FCVIHFVSXHOPSW-RXMQYKEDSA-N -2 2 269.146 -1.008 1 0 in-vitro CAAFLL CC(=O)N[C@H](CCC(=O)O[P@](=O)([O-])O)C(=O)[O-] ZINC000003870082 560190619 /nfs/dbraw/zinc/19/06/19/560190619.db2.gz FCVIHFVSXHOPSW-RXMQYKEDSA-N -2 2 269.146 -1.008 1 0 in-vitro CAAFLL O=C([O-])C(=O)C[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000003869257 560190402 /nfs/dbraw/zinc/19/04/02/560190402.db2.gz PJWIPEXIFFQAQZ-OTWZMJIISA-N -2 2 288.145 -2.778 1 0 in-vitro,metabolite CAAFLL O=C([O-])C(=O)C[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000003869257 560190404 /nfs/dbraw/zinc/19/04/04/560190404.db2.gz PJWIPEXIFFQAQZ-OTWZMJIISA-N -2 2 288.145 -2.778 1 0 in-vitro,metabolite CAAFLL O=C([O-])[C@H]1C[C@@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1 ZINC000013539832 560218993 /nfs/dbraw/zinc/21/89/93/560218993.db2.gz ICIUJGMQSZZMJS-KAZBKCHUSA-N -2 2 272.146 -1.940 1 0 in-vitro,metabolite CAAFLL O=C([O-])[C@H]1C[C@@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1 ZINC000013539832 560218994 /nfs/dbraw/zinc/21/89/94/560218994.db2.gz ICIUJGMQSZZMJS-KAZBKCHUSA-N -2 2 272.146 -1.940 1 0 in-vitro,metabolite CAAFLL O=C([O-])C(O)[C@H](O)[C@@H](O)C(=O)O[P@](=O)([O-])O ZINC000100042751 574417229 /nfs/dbraw/zinc/41/72/29/574417229.db2.gz UPIOCYXPGSCIEL-BIZFKFMOSA-N -2 2 260.091 -1.813 1 0 endogenous,in-vitro CAAFLL O=C([O-])C[C@H](O)[C@H](O)C(=O)CO[P@@](=O)([O-])O ZINC000001529962 574411178 /nfs/dbraw/zinc/41/11/78/574411178.db2.gz OLUPOJQIFXQXIT-DZSWIPIPSA-N -2 2 258.119 -2.139 1 0 endogenous,in-vitro CAAFLL O=C([O-])C[C@H](O)[C@H](O)C(=O)CO[P@](=O)([O-])O ZINC000001529962 574411179 /nfs/dbraw/zinc/41/11/79/574411179.db2.gz OLUPOJQIFXQXIT-DZSWIPIPSA-N -2 2 258.119 -2.139 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@@H](O)[C@@H](O)C(=O)O[P@@](=O)([O-])O ZINC000069480514 574415421 /nfs/dbraw/zinc/41/54/21/574415421.db2.gz UPIOCYXPGSCIEL-NPKIIWCNSA-N -2 2 260.091 -1.813 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@@H](O)[C@@H](O)C(=O)O[P@](=O)([O-])O ZINC000069480514 574415422 /nfs/dbraw/zinc/41/54/22/574415422.db2.gz UPIOCYXPGSCIEL-NPKIIWCNSA-N -2 2 260.091 -1.813 1 0 endogenous,in-vitro CAAFLL O=C([O-])C(O)[C@H](O)[C@@H](O)C(=O)O[P@@](=O)([O-])O ZINC000100042751 574417228 /nfs/dbraw/zinc/41/72/28/574417228.db2.gz UPIOCYXPGSCIEL-BIZFKFMOSA-N -2 2 260.091 -1.813 1 0 endogenous,in-vitro CAAFLL