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1071089128 /nfs/dbraw/zinc/08/91/28/1071089128.db2.gz VFNDEBBNHFVBQL-INIZCTEOSA-N 0 0 415.512 -0.605 20 10 HBCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](O)C(C)(C)O)CC2)cc1 ZINC001146355986 1071089063 /nfs/dbraw/zinc/08/90/63/1071089063.db2.gz VFNDEBBNHFVBQL-MRXNPFEDSA-N 0 0 415.512 -0.605 20 10 HBCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CN(C)C(C)=O)CC2)cc1 ZINC001146356077 1071088965 /nfs/dbraw/zinc/08/89/65/1071088965.db2.gz ZBKMVYTVGOKCFI-UHFFFAOYSA-N 0 0 412.512 -0.259 20 10 HBCDRN CS(=O)(=O)N1CC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001146665535 1071097819 /nfs/dbraw/zinc/09/78/19/1071097819.db2.gz IEKDPOOEYDWLLZ-UHFFFAOYSA-N 0 0 401.510 -0.571 20 10 HBCDRN C[C@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001147838063 1071129063 /nfs/dbraw/zinc/12/90/63/1071129063.db2.gz PLYUDAJMMCWDJC-AWEZNQCLSA-N 0 0 401.471 -0.297 20 10 HBCDRN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001147951437 1071131308 /nfs/dbraw/zinc/13/13/08/1071131308.db2.gz DLZPCVJULGRWAP-GFCCVEGCSA-N 0 0 405.434 -0.406 20 10 HBCDRN O=C(c1cccc(O)c1O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001148214807 1071136877 /nfs/dbraw/zinc/13/68/77/1071136877.db2.gz YFTWBMVSEJQOGQ-JGGQBBKZSA-N 0 0 424.475 -0.168 20 10 HBCDRN O=C(c1cccc(O)c1O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001148214808 1071136699 /nfs/dbraw/zinc/13/66/99/1071136699.db2.gz YFTWBMVSEJQOGQ-XNRPHZJLSA-N 0 0 424.475 -0.168 20 10 HBCDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccc(O)c1O)C(=O)NCC(N)=O ZINC001148218803 1071136793 /nfs/dbraw/zinc/13/67/93/1071136793.db2.gz LPVVYWLOAJDGAG-KBPBESRZSA-N 0 0 420.466 -0.165 20 10 HBCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(NS(C)(=O)=O)C3)CC2)cc1 ZINC001167137905 1068288962 /nfs/dbraw/zinc/28/89/62/1068288962.db2.gz PINMTNPTXWZWFA-BQYQJAHWSA-N 0 0 422.507 -0.340 20 10 HBCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(NS(C)(=O)=O)C3)CC2)cc1 ZINC001167137908 1068288979 /nfs/dbraw/zinc/28/89/79/1068288979.db2.gz PINMTNPTXWZWFA-FPLPWBNLSA-N 0 0 422.507 -0.340 20 10 HBCDRN COc1ccc(N2CCN(C(=O)C=CC(=O)NCc3nc(CO)n[nH]3)CC2)cc1 ZINC001167491415 1068546704 /nfs/dbraw/zinc/54/67/04/1068546704.db2.gz CGEGJRWXMOHFNT-SREVYHEPSA-N 0 0 400.439 -0.173 20 10 HBCDRN COc1ccc(N2CCN(C(=O)C=CC(=O)NCc3nc(CO)n[nH]3)CC2)cc1 ZINC001167491422 1068546415 /nfs/dbraw/zinc/54/64/15/1068546415.db2.gz CGEGJRWXMOHFNT-VOTSOKGWSA-N 0 0 400.439 -0.173 20 10 HBCDRN Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC001167762147 1069168794 /nfs/dbraw/zinc/16/87/94/1069168794.db2.gz HZNXYKCJWJWKIX-UHFFFAOYSA-N 0 0 407.496 -0.024 20 10 HBCDRN O=C(CN1CC[C@H]2OCC(=O)N[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001170904557 1070974387 /nfs/dbraw/zinc/97/43/87/1070974387.db2.gz JJYAZXVGEGFSFO-SJLPKXTDSA-N 0 0 406.458 -0.132 20 10 HBCDRN CNC(=O)NC[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC001174652378 1071197180 /nfs/dbraw/zinc/19/71/80/1071197180.db2.gz KBEYRWIHKLCDPH-INIZCTEOSA-N 0 0 423.489 -0.092 20 10 HBCDRN CNC(=O)NC[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC001174652379 1071197268 /nfs/dbraw/zinc/19/72/68/1071197268.db2.gz KBEYRWIHKLCDPH-MRXNPFEDSA-N 0 0 423.489 -0.092 20 10 HBCDRN CCOC(=O)c1c(NC(=O)CCC(=O)NC(CO)(CO)CO)sc2c1CCC2 ZINC001177957741 1071276174 /nfs/dbraw/zinc/27/61/74/1071276174.db2.gz LIXWQOBEVXBWOQ-UHFFFAOYSA-N 0 0 414.480 -0.036 20 10 HBCDRN NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)cc2)CC1 ZINC001178038778 1071279006 /nfs/dbraw/zinc/27/90/06/1071279006.db2.gz HEDQLOFWXLCWTE-INIZCTEOSA-N 0 0 423.539 -0.080 20 10 HBCDRN NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)cc2)CC1 ZINC001178038779 1071278863 /nfs/dbraw/zinc/27/88/63/1071278863.db2.gz HEDQLOFWXLCWTE-MRXNPFEDSA-N 0 0 423.539 -0.080 20 10 HBCDRN CN(C)c1ccc(C=CC(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001180130107 1071331325 /nfs/dbraw/zinc/33/13/25/1071331325.db2.gz WAZUBJLELFKSOB-YWNWAWHPSA-N 0 0 415.450 -0.417 20 10 HBCDRN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccc(O)c(O)c1 ZINC001182157104 1071393858 /nfs/dbraw/zinc/39/38/58/1071393858.db2.gz HGMPQGSWJBVSPT-GJZGRUSLSA-N 0 0 415.450 -0.043 20 10 HBCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N3CC(NS(C)(=O)=O)C3)cc12 ZINC001184359174 1071492232 /nfs/dbraw/zinc/49/22/32/1071492232.db2.gz LCDDJZRHIBLXGJ-UHFFFAOYSA-N 0 0 409.464 -0.001 20 10 HBCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N3CC(N4CCNC(=O)C4)C3)cc12 ZINC001184359332 1071492192 /nfs/dbraw/zinc/49/21/92/1071492192.db2.gz NCTZWVNMBDQQEW-UHFFFAOYSA-N 0 0 414.462 -0.119 20 10 HBCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)NC3CN(S(C)(=O)=O)C3)cc12 ZINC001184362011 1071492046 /nfs/dbraw/zinc/49/20/46/1071492046.db2.gz MDDIBWCNFZNIDM-UHFFFAOYSA-N 0 0 409.464 -0.001 20 10 HBCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cc12 ZINC001184362978 1071491968 /nfs/dbraw/zinc/49/19/68/1071491968.db2.gz ZGVNFEPUBZXHMG-NRSSNHDFSA-N 0 0 406.435 -0.542 20 10 HBCDRN CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21 ZINC001185542448 1071518754 /nfs/dbraw/zinc/51/87/54/1071518754.db2.gz SSFJZELOEANZHP-LURJTMIESA-N 0 0 412.376 -0.673 20 10 HBCDRN CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21 ZINC001185542449 1071519177 /nfs/dbraw/zinc/51/91/77/1071519177.db2.gz SSFJZELOEANZHP-ZCFIWIBFSA-N 0 0 412.376 -0.673 20 10 HBCDRN CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21 ZINC001185558817 1071518941 /nfs/dbraw/zinc/51/89/41/1071518941.db2.gz RBYPPOPUQMYBHT-MRVPVSSYSA-N 0 0 420.374 -0.070 20 10 HBCDRN CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21 ZINC001185558826 1071518711 /nfs/dbraw/zinc/51/87/11/1071518711.db2.gz RBYPPOPUQMYBHT-QMMMGPOBSA-N 0 0 420.374 -0.070 20 10 HBCDRN CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001186599714 1071562253 /nfs/dbraw/zinc/56/22/53/1071562253.db2.gz WKWJBDDGKONNAN-HNNXBMFYSA-N 0 0 424.413 -0.404 20 10 HBCDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCc2cccc(O)c2C1 ZINC001186631324 1071558294 /nfs/dbraw/zinc/55/82/94/1071558294.db2.gz MLXXQOWQTWQBKL-AVGNSLFASA-N 0 0 404.467 -0.189 20 10 HBCDRN COC(=O)CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(=O)OC ZINC001191951535 1071661647 /nfs/dbraw/zinc/66/16/47/1071661647.db2.gz ZKEJQADIDLSBDV-UHFFFAOYSA-N 0 0 411.430 -0.074 20 10 HBCDRN COc1cc(C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)cc(O)c1O ZINC001193095935 1071678427 /nfs/dbraw/zinc/67/84/27/1071678427.db2.gz AWHNWBGJEWSZEZ-UHFFFAOYSA-N 0 0 405.411 -0.041 20 10 HBCDRN COc1cc(C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)cc(O)c1O ZINC001193118865 1071678028 /nfs/dbraw/zinc/67/80/28/1071678028.db2.gz CPGJGQPRQKIUGW-ZLKJLUDKSA-N 0 0 407.379 -0.244 20 10 HBCDRN COc1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)cc(O)c1O ZINC001193132763 1071678386 /nfs/dbraw/zinc/67/83/86/1071678386.db2.gz XLTXTXUAMVZPDW-STQMWFEESA-N 0 0 417.422 -0.353 20 10 HBCDRN CN(C)c1ccc(-c2nc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)cs2)cc1 ZINC001193179312 1071681253 /nfs/dbraw/zinc/68/12/53/1071681253.db2.gz NJLGPYCGYSQGNU-DWJZYCCASA-N 0 0 409.464 -0.594 20 10 HBCDRN CN(C)c1ccc(-c2nc(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cs2)cc1 ZINC001193179313 1071681302 /nfs/dbraw/zinc/68/13/02/1071681302.db2.gz NJLGPYCGYSQGNU-VFCJXBEMSA-N 0 0 409.464 -0.594 20 10 HBCDRN COc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)NC(C)C)CC2)cc1 ZINC001212424136 1069140999 /nfs/dbraw/zinc/14/09/99/1069140999.db2.gz XSSWJUCXYRTOFL-UHFFFAOYSA-N 0 0 420.557 -0.021 20 10 HBCDRN CN1CCO[C@H](CS(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001212456017 1069233191 /nfs/dbraw/zinc/23/31/91/1069233191.db2.gz HWGLEIYYTNOKNE-KRWDZBQOSA-N 0 0 417.553 -0.329 20 10 HBCDRN CN1CCO[C@@H](CS(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001212456018 1069233382 /nfs/dbraw/zinc/23/33/82/1069233382.db2.gz HWGLEIYYTNOKNE-QGZVFWFLSA-N 0 0 417.553 -0.329 20 10 HBCDRN CCN1C[C@@H](S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O ZINC001212456105 1069233260 /nfs/dbraw/zinc/23/32/60/1069233260.db2.gz MGTJWZIDUIZMQS-INIZCTEOSA-N 0 0 415.537 -0.038 20 10 HBCDRN CCN1C[C@H](S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O ZINC001212456106 1069233354 /nfs/dbraw/zinc/23/33/54/1069233354.db2.gz MGTJWZIDUIZMQS-MRXNPFEDSA-N 0 0 415.537 -0.038 20 10 HBCDRN NC(=O)C1CCN(c2ccc(CNC(=O)Cn3ncn4nccc4c3=O)cc2)CC1 ZINC001626090461 1069395417 /nfs/dbraw/zinc/39/54/17/1069395417.db2.gz IYKXDENWFFUTGE-UHFFFAOYSA-N 0 0 409.450 -0.091 20 10 HBCDRN CN(C)C(=O)Cn1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nn1 ZINC001626090489 1069396114 /nfs/dbraw/zinc/39/61/14/1069396114.db2.gz JXNHTYPYJQSPGS-UHFFFAOYSA-N 0 0 413.482 -0.002 20 10 HBCDRN