smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)[N@H+](CCOC)Cc1c([O-])cccc1Cl ZINC000133490012 1125462362 /nfs/dbraw/zinc/46/23/62/1125462362.db2.gz MSVZYVRDGQSHOX-UHFFFAOYSA-N 0 1 285.815 3.683 20 10 CHCDMN CCC(CC)[N@@H+](CCOC)Cc1c([O-])cccc1Cl ZINC000133490012 1125462364 /nfs/dbraw/zinc/46/23/64/1125462364.db2.gz MSVZYVRDGQSHOX-UHFFFAOYSA-N 0 1 285.815 3.683 20 10 CHCDMN C[C@H](N[C@@H](C)c1ccc(Cl)cc1O)c1cscn1 ZINC000850512208 1119963620 /nfs/dbraw/zinc/96/36/20/1119963620.db2.gz YGEJJQOOLYLYMB-IUCAKERBSA-N 0 1 282.796 3.914 20 10 CHCDMN C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000834906462 1131728734 /nfs/dbraw/zinc/72/87/34/1131728734.db2.gz WVTHKGQTZYJSEH-NWDGAFQWSA-N 0 1 283.799 3.513 20 10 CHCDMN CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000834905361 1131729376 /nfs/dbraw/zinc/72/93/76/1131729376.db2.gz UDZGSNVBTNRHEK-FCHSOHFDSA-N 0 1 283.799 3.510 20 10 CHCDMN CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140465891 1131750261 /nfs/dbraw/zinc/75/02/61/1131750261.db2.gz UGJQDKGTZFFTBX-CYBMUJFWSA-N 0 1 253.773 3.810 20 10 CHCDMN CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140465891 1131750266 /nfs/dbraw/zinc/75/02/66/1131750266.db2.gz UGJQDKGTZFFTBX-CYBMUJFWSA-N 0 1 253.773 3.810 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000840860946 1132297491 /nfs/dbraw/zinc/29/74/91/1132297491.db2.gz YBWJTPYOXQGFTQ-NDMJEZRESA-N 0 1 285.840 3.980 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1Cl ZINC001231871111 1132385104 /nfs/dbraw/zinc/38/51/04/1132385104.db2.gz YKNOIQRRYBBWSE-JQWIXIFHSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1Cl ZINC001231871111 1132385111 /nfs/dbraw/zinc/38/51/11/1132385111.db2.gz YKNOIQRRYBBWSE-JQWIXIFHSA-N 0 1 267.800 3.974 20 10 CHCDMN CCC[N@H+](Cc1cc(Cl)c(C)cc1O)CC1CC1 ZINC001231869700 1132383955 /nfs/dbraw/zinc/38/39/55/1132383955.db2.gz WMLQHYRYYVQVKC-UHFFFAOYSA-N 0 1 267.800 3.976 20 10 CHCDMN CCC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])CC1CC1 ZINC001231869700 1132383962 /nfs/dbraw/zinc/38/39/62/1132383962.db2.gz WMLQHYRYYVQVKC-UHFFFAOYSA-N 0 1 267.800 3.976 20 10 CHCDMN CCC[N@H+](Cc1cc(Cl)c(C)cc1[O-])CC1CC1 ZINC001231869700 1132383970 /nfs/dbraw/zinc/38/39/70/1132383970.db2.gz WMLQHYRYYVQVKC-UHFFFAOYSA-N 0 1 267.800 3.976 20 10 CHCDMN CC1(CC(F)F)C[NH+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843424888 1132533342 /nfs/dbraw/zinc/53/33/42/1132533342.db2.gz PBBFTPLPPRGELJ-UHFFFAOYSA-N 0 1 293.716 3.662 20 10 CHCDMN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])C[C@@H]1CC1(C)C ZINC001233418688 1132619833 /nfs/dbraw/zinc/61/98/33/1132619833.db2.gz RFHIMCWKERWOMF-NSHDSACASA-N 0 1 287.325 3.889 20 10 CHCDMN C[N@H+](CCC1CC1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455110 1132624680 /nfs/dbraw/zinc/62/46/80/1132624680.db2.gz WWEWPGSANQFWSR-UHFFFAOYSA-N 0 1 273.298 3.643 20 10 CHCDMN C[N@@H+](CCC1CC1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455110 1132624685 /nfs/dbraw/zinc/62/46/85/1132624685.db2.gz WWEWPGSANQFWSR-UHFFFAOYSA-N 0 1 273.298 3.643 20 10 CHCDMN CC1(C)CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233755553 1132674651 /nfs/dbraw/zinc/67/46/51/1132674651.db2.gz VYQSBNBVVVZEPS-UHFFFAOYSA-N 0 1 289.297 3.523 20 10 CHCDMN CC1(C)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233755553 1132674655 /nfs/dbraw/zinc/67/46/55/1132674655.db2.gz VYQSBNBVVVZEPS-UHFFFAOYSA-N 0 1 289.297 3.523 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CC2(C)C)c1[O-] ZINC001206809789 1133750651 /nfs/dbraw/zinc/75/06/51/1133750651.db2.gz MFAJTXYPYVOGEI-NSHDSACASA-N 0 1 283.799 3.532 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1[O-] ZINC001206809789 1133750656 /nfs/dbraw/zinc/75/06/56/1133750656.db2.gz MFAJTXYPYVOGEI-NSHDSACASA-N 0 1 283.799 3.532 20 10 CHCDMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841746307 1125569486 /nfs/dbraw/zinc/56/94/86/1125569486.db2.gz YFVCZMMXQOMQAQ-NSHDSACASA-N 0 1 276.767 3.600 20 10 CHCDMN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000136819776 1125647925 /nfs/dbraw/zinc/64/79/25/1125647925.db2.gz ANPCJPKVEYGTCG-GWCFXTLKSA-N 0 1 253.773 3.809 20 10 CHCDMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000136819776 1125647928 /nfs/dbraw/zinc/64/79/28/1125647928.db2.gz ANPCJPKVEYGTCG-GWCFXTLKSA-N 0 1 253.773 3.809 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C(C1CC1)C1CC1 ZINC000092704033 1129405033 /nfs/dbraw/zinc/40/50/33/1129405033.db2.gz RMPWLFLRKVSRSE-UHFFFAOYSA-N 0 1 265.784 3.666 20 10 CHCDMN CCn1ccc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000305930209 1129690519 /nfs/dbraw/zinc/69/05/19/1129690519.db2.gz BXZUNVAHGUYXOQ-UHFFFAOYSA-N 0 1 286.162 3.528 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000770672727 1129954844 /nfs/dbraw/zinc/95/48/44/1129954844.db2.gz CHVITWRLMLNCLX-UHFFFAOYSA-N 0 1 269.747 3.561 20 10 CHCDMN COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000903329671 1130157342 /nfs/dbraw/zinc/15/73/42/1130157342.db2.gz CPTUIMZLLHAOGY-UWVGGRQHSA-N 0 1 271.788 3.510 20 10 CHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180350050 1126842693 /nfs/dbraw/zinc/84/26/93/1126842693.db2.gz JEJKVEUZVHFMMT-SNVBAGLBSA-N 0 1 273.829 3.619 20 10 CHCDMN C[C@H](c1cccnc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000183729083 1126891826 /nfs/dbraw/zinc/89/18/26/1126891826.db2.gz VFFRRASEFHKEEU-LLVKDONJSA-N 0 1 276.767 3.634 20 10 CHCDMN Oc1ccccc1CN(Cc1cocn1)C1CCCCC1 ZINC000191919469 1126957074 /nfs/dbraw/zinc/95/70/74/1126957074.db2.gz BFLNKEUYKROGNT-UHFFFAOYSA-N 0 1 286.375 3.715 20 10 CHCDMN CSC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000193821550 1126970936 /nfs/dbraw/zinc/97/09/36/1126970936.db2.gz FKRGUNYHSXNWTI-VIFPVBQESA-N 0 1 271.813 3.592 20 10 CHCDMN COC1(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000815642083 1131014434 /nfs/dbraw/zinc/01/44/34/1131014434.db2.gz QYOXVRLYOUGFQG-NSHDSACASA-N 0 1 283.799 3.655 20 10 CHCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC2(CC2)C1 ZINC001237078335 1131046319 /nfs/dbraw/zinc/04/63/19/1131046319.db2.gz PVIGJVRDJXLHNO-UHFFFAOYSA-N 0 1 272.175 3.685 20 10 CHCDMN Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000274150163 1127109832 /nfs/dbraw/zinc/10/98/32/1127109832.db2.gz FGJSIUDYEICJOF-WDEREUQCSA-N 0 1 291.420 3.581 20 10 CHCDMN CCC[NH+](CCC)Cc1c([O-])ccc2ccncc21 ZINC000913058304 1127121248 /nfs/dbraw/zinc/12/12/48/1127121248.db2.gz XGOZXKYIFULWDH-UHFFFAOYSA-N 0 1 258.365 3.562 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)[C@H](C)C1 ZINC001237122997 1131054767 /nfs/dbraw/zinc/05/47/67/1131054767.db2.gz AUFVOHXOBXLEPY-NXEZZACHSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)[C@H](C)C1 ZINC001237122997 1131054774 /nfs/dbraw/zinc/05/47/74/1131054774.db2.gz AUFVOHXOBXLEPY-NXEZZACHSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)[C@H](C)C1 ZINC001237122997 1131054780 /nfs/dbraw/zinc/05/47/80/1131054780.db2.gz AUFVOHXOBXLEPY-NXEZZACHSA-N 0 1 271.763 3.805 20 10 CHCDMN C[N@@H+](Cc1cccs1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816480919 1131098100 /nfs/dbraw/zinc/09/81/00/1131098100.db2.gz BKLOJYDRARLOEU-UHFFFAOYSA-N 0 1 285.771 3.878 20 10 CHCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1C ZINC000816647951 1131120419 /nfs/dbraw/zinc/12/04/19/1131120419.db2.gz BEFTYIXJOBLPFP-MNOVXSKESA-N 0 1 286.341 3.612 20 10 CHCDMN Cc1ccnc([C@H](C)NCc2ccc(N3CCCC3)cc2)c1 ZINC000285651378 1127239724 /nfs/dbraw/zinc/23/97/24/1127239724.db2.gz MGPDDFWBVBMTJP-INIZCTEOSA-N 0 1 295.430 3.841 20 10 CHCDMN CC1(C)CCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226785685 1127425721 /nfs/dbraw/zinc/42/57/21/1127425721.db2.gz WBZQGGSLVGWZIH-CYBMUJFWSA-N 0 1 298.224 3.823 20 10 CHCDMN CCCc1nc(C)c(CN[C@H](C)c2cc(F)ccc2O)o1 ZINC000293685838 1127512735 /nfs/dbraw/zinc/51/27/35/1127512735.db2.gz NKXBKYCKESGEGT-SNVBAGLBSA-N 0 1 292.354 3.631 20 10 CHCDMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293748644 1127517482 /nfs/dbraw/zinc/51/74/82/1127517482.db2.gz XWASRFMNVJXZFL-JTQLQIEISA-N 0 1 294.757 3.773 20 10 CHCDMN Cc1ccoc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000293785217 1127520200 /nfs/dbraw/zinc/52/02/00/1127520200.db2.gz UCKJTQLOJFWVPT-SNVBAGLBSA-N 0 1 265.740 3.798 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)C[C@@H]2C)cc1Cl ZINC001231870792 1127544505 /nfs/dbraw/zinc/54/45/05/1127544505.db2.gz UFQOUVPCTDFWLR-JQWIXIFHSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)C[C@@H]2C)cc1Cl ZINC001231870792 1127544508 /nfs/dbraw/zinc/54/45/08/1127544508.db2.gz UFQOUVPCTDFWLR-JQWIXIFHSA-N 0 1 267.800 3.974 20 10 CHCDMN CCC(C)(C)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228663100 1127580961 /nfs/dbraw/zinc/58/09/61/1127580961.db2.gz MIAOUFQOFLEYQS-UHFFFAOYSA-N 0 1 271.788 3.675 20 10 CHCDMN CCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228663100 1127580966 /nfs/dbraw/zinc/58/09/66/1127580966.db2.gz MIAOUFQOFLEYQS-UHFFFAOYSA-N 0 1 271.788 3.675 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1CC(F)(F)C1 ZINC000295074128 1127618639 /nfs/dbraw/zinc/61/86/39/1127618639.db2.gz QOIWXJWKBADKFH-UHFFFAOYSA-N 0 1 269.335 3.650 20 10 CHCDMN CCC[N@H+](Cc1ccccc1[O-])CC1CC(F)(F)C1 ZINC000295074128 1127618641 /nfs/dbraw/zinc/61/86/41/1127618641.db2.gz QOIWXJWKBADKFH-UHFFFAOYSA-N 0 1 269.335 3.650 20 10 CHCDMN Cc1ccc(O)c([C@@H](C)NCc2cc(F)cnc2Cl)c1 ZINC000296245889 1127666628 /nfs/dbraw/zinc/66/66/28/1127666628.db2.gz BADMUUIXEXMGKF-SNVBAGLBSA-N 0 1 294.757 3.739 20 10 CHCDMN C[C@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451835 1127967205 /nfs/dbraw/zinc/96/72/05/1127967205.db2.gz AUNPPORSOKOUSR-ZDUSSCGKSA-N 0 1 291.288 3.735 20 10 CHCDMN C[C@]1(F)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451835 1127967206 /nfs/dbraw/zinc/96/72/06/1127967206.db2.gz AUNPPORSOKOUSR-ZDUSSCGKSA-N 0 1 291.288 3.735 20 10 CHCDMN C[C@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451835 1127967211 /nfs/dbraw/zinc/96/72/11/1127967211.db2.gz AUNPPORSOKOUSR-ZDUSSCGKSA-N 0 1 291.288 3.735 20 10 CHCDMN CCc1cc(NCc2cc(Cl)cc(Cl)c2O)no1 ZINC000777519219 1128098786 /nfs/dbraw/zinc/09/87/86/1128098786.db2.gz CFHPFUUEJOWTIZ-UHFFFAOYSA-N 0 1 287.146 3.862 20 10 CHCDMN C[C@@H]1CC[C@@]2(CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)C1 ZINC000781585507 1128568877 /nfs/dbraw/zinc/56/88/77/1128568877.db2.gz GOYDXGNFMNBJGY-AUUYWEPGSA-N 0 1 296.414 3.953 20 10 CHCDMN C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)C1 ZINC000781585507 1128568880 /nfs/dbraw/zinc/56/88/80/1128568880.db2.gz GOYDXGNFMNBJGY-AUUYWEPGSA-N 0 1 296.414 3.953 20 10 CHCDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)CC1CC1 ZINC000919941937 1128652789 /nfs/dbraw/zinc/65/27/89/1128652789.db2.gz GRMMEDMRTBFHJU-UHFFFAOYSA-N 0 1 285.387 3.859 20 10 CHCDMN Oc1c(Cl)cc(Cl)cc1CNc1cncc(F)c1 ZINC000305955927 1118016489 /nfs/dbraw/zinc/01/64/89/1118016489.db2.gz NZFJUMXTNNCRQP-UHFFFAOYSA-N 0 1 287.121 3.845 20 10 CHCDMN Oc1cccc2c1CN(Cc1ccc(Cl)s1)CC2 ZINC001204443229 1118061967 /nfs/dbraw/zinc/06/19/67/1118061967.db2.gz VCISKEJAWUTVHK-UHFFFAOYSA-N 0 1 279.792 3.665 20 10 CHCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1cccnc1Cl ZINC000765609416 1118181978 /nfs/dbraw/zinc/18/19/78/1118181978.db2.gz NOZXGAKCPLVZNR-LLVKDONJSA-N 0 1 288.778 3.521 20 10 CHCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cccnc1Cl ZINC000765609417 1118181994 /nfs/dbraw/zinc/18/19/94/1118181994.db2.gz NOZXGAKCPLVZNR-NSHDSACASA-N 0 1 288.778 3.521 20 10 CHCDMN COc1ccc(CNCc2cc(C)cc(Cl)n2)cc1C ZINC000282179872 1118276191 /nfs/dbraw/zinc/27/61/91/1118276191.db2.gz ZIHPSWBYQRTCAH-UHFFFAOYSA-N 0 1 290.794 3.650 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCc1ccccc1 ZINC000083551229 1118356321 /nfs/dbraw/zinc/35/63/21/1118356321.db2.gz NCMZDBDEGJIXRY-UHFFFAOYSA-N 0 1 275.779 3.768 20 10 CHCDMN [O-]c1c(C[NH2+][C@H]2CCCC23CC3)ccc2ccccc21 ZINC001207066790 1118400613 /nfs/dbraw/zinc/40/06/13/1118400613.db2.gz JKKGOJCTNQJFFJ-INIZCTEOSA-N 0 1 267.372 3.968 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c1[O-] ZINC000088706267 1118524604 /nfs/dbraw/zinc/52/46/04/1118524604.db2.gz UMQRYLJWAMOUMB-MNOVXSKESA-N 0 1 295.810 3.869 20 10 CHCDMN CCC[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])OC ZINC000834841762 1118580106 /nfs/dbraw/zinc/58/01/06/1118580106.db2.gz ZVCAVGAIRICZDC-ZYHUDNBSSA-N 0 1 271.788 3.511 20 10 CHCDMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000092326524 1118583273 /nfs/dbraw/zinc/58/32/73/1118583273.db2.gz BSWCWBDLNCUZCB-RYUDHWBXSA-N 0 1 287.407 3.769 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cnccc1C)c1cc(Cl)ccc1[O-] ZINC000834887871 1118611716 /nfs/dbraw/zinc/61/17/16/1118611716.db2.gz XVMFKFJPVJEVHC-OAHLLOKOSA-N 0 1 290.794 3.990 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000834901878 1118621618 /nfs/dbraw/zinc/62/16/18/1118621618.db2.gz AGKXPCDEXUYZRW-OOVXXXAESA-N 0 1 297.826 3.900 20 10 CHCDMN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707147319 1118648302 /nfs/dbraw/zinc/64/83/02/1118648302.db2.gz YHBHIUDHHFLRGD-WDEREUQCSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707147319 1118648305 /nfs/dbraw/zinc/64/83/05/1118648305.db2.gz YHBHIUDHHFLRGD-WDEREUQCSA-N 0 1 298.224 3.775 20 10 CHCDMN Cc1cccc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c1O ZINC000180443344 1128793699 /nfs/dbraw/zinc/79/36/99/1128793699.db2.gz OKPFWYRNUGWYSC-MAUKXSAKSA-N 0 1 297.398 3.663 20 10 CHCDMN CC(C)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708132517 1119224232 /nfs/dbraw/zinc/22/42/32/1119224232.db2.gz DIGXYYMARRQAIC-UHFFFAOYSA-N 0 1 292.604 3.648 20 10 CHCDMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708424110 1119450557 /nfs/dbraw/zinc/45/05/57/1119450557.db2.gz WUASTDNOGNCRAC-LLVKDONJSA-N 0 1 283.362 3.929 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000168800802 1119479156 /nfs/dbraw/zinc/47/91/56/1119479156.db2.gz SJFWPODATBDRFA-KCQAQPDRSA-N 0 1 285.387 3.621 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc2ccccc2n1 ZINC000725847563 1119833684 /nfs/dbraw/zinc/83/36/84/1119833684.db2.gz DHKPPTKUJUDPHS-UHFFFAOYSA-N 0 1 298.773 3.884 20 10 CHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccccc2)c1[O-] ZINC000181377492 1128875908 /nfs/dbraw/zinc/87/59/08/1128875908.db2.gz ULROWBWDWCJRBQ-LLVKDONJSA-N 0 1 287.334 3.585 20 10 CHCDMN C[C@H]([NH2+]CC1SCCS1)c1cc(Cl)ccc1[O-] ZINC000850560216 1119981154 /nfs/dbraw/zinc/98/11/54/1119981154.db2.gz JQNZOQJAORAPGT-QMMMGPOBSA-N 0 1 289.853 3.502 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695097684 1120105067 /nfs/dbraw/zinc/10/50/67/1120105067.db2.gz QDMGMNKNYDGVIJ-NSHDSACASA-N 0 1 275.726 3.713 20 10 CHCDMN COc1cc(O)c(C[N@@H+](C)C[C@H]2CC2(C)C)c(Cl)c1 ZINC001236802983 1128896073 /nfs/dbraw/zinc/89/60/73/1128896073.db2.gz LTFLCKRVFHPGCL-SNVBAGLBSA-N 0 1 283.799 3.532 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc2ccccc2c1[O-] ZINC000328416161 1120174985 /nfs/dbraw/zinc/17/49/85/1120174985.db2.gz IKSCIWPHERUZHG-LRDDRELGSA-N 0 1 285.387 3.764 20 10 CHCDMN COc1cc([O-])c(C[N@H+](C)C[C@H]2CC2(C)C)c(Cl)c1 ZINC001236802983 1128896078 /nfs/dbraw/zinc/89/60/78/1128896078.db2.gz LTFLCKRVFHPGCL-SNVBAGLBSA-N 0 1 283.799 3.532 20 10 CHCDMN COc1cc([O-])c(C[N@@H+](C)C[C@H]2CC2(C)C)c(Cl)c1 ZINC001236802983 1128896082 /nfs/dbraw/zinc/89/60/82/1128896082.db2.gz LTFLCKRVFHPGCL-SNVBAGLBSA-N 0 1 283.799 3.532 20 10 CHCDMN Cc1cccc2c1C[N@@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC000763501856 1128913065 /nfs/dbraw/zinc/91/30/65/1128913065.db2.gz GCQROWGYFUZCOF-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000775643338 1120444074 /nfs/dbraw/zinc/44/40/74/1120444074.db2.gz VBFLTYQBLAPYDN-UHFFFAOYSA-N 0 1 283.730 3.718 20 10 CHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000781908467 1120511056 /nfs/dbraw/zinc/51/10/56/1120511056.db2.gz IYQLNNBFTQMWHQ-PHIMTYICSA-N 0 1 298.224 3.551 20 10 CHCDMN COc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1C ZINC000922586039 1120558713 /nfs/dbraw/zinc/55/87/13/1120558713.db2.gz JPFJHLZROHCOTC-SFHVURJKSA-N 0 1 282.387 3.640 20 10 CHCDMN CCc1ccc([C@@H]2CN(Cc3ccccc3O)CCO2)cc1 ZINC000191665414 1128950254 /nfs/dbraw/zinc/95/02/54/1128950254.db2.gz YNYLWWBSHCNXRL-IBGZPJMESA-N 0 1 297.398 3.528 20 10 CHCDMN C[C@@H](NCc1ccc(Cl)o1)c1cc(F)ccc1O ZINC000700570088 1121107806 /nfs/dbraw/zinc/10/78/06/1121107806.db2.gz VCXNPKBDAIDAME-MRVPVSSYSA-N 0 1 269.703 3.629 20 10 CHCDMN CCC[N@@H+](CCOC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237077795 1128964476 /nfs/dbraw/zinc/96/44/76/1128964476.db2.gz KHXBKTYMJMLUBP-UHFFFAOYSA-N 0 1 292.206 3.557 20 10 CHCDMN CC1(C)CC(C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000701692669 1121164491 /nfs/dbraw/zinc/16/44/91/1121164491.db2.gz JBUFEZBYDPGURT-UHFFFAOYSA-N 0 1 253.773 3.571 20 10 CHCDMN Cc1ccc(NCc2ccc(F)c(F)c2O)cc1F ZINC000703376300 1121251436 /nfs/dbraw/zinc/25/14/36/1121251436.db2.gz CJNNHAGVJTZKHC-UHFFFAOYSA-N 0 1 267.250 3.730 20 10 CHCDMN CCC1([NH2+]Cc2c([O-])cccc2Br)CCC1 ZINC000706858500 1121442398 /nfs/dbraw/zinc/44/23/98/1121442398.db2.gz ZQEHNCRIUSZMBN-UHFFFAOYSA-N 0 1 284.197 3.577 20 10 CHCDMN CC[N@@H+](CCC(F)(F)F)Cc1cccc(Cl)c1[O-] ZINC000688498699 1129003845 /nfs/dbraw/zinc/00/38/45/1129003845.db2.gz DWQBEKVVSDXSTD-UHFFFAOYSA-N 0 1 281.705 3.820 20 10 CHCDMN CCCc1ncc(CNCc2c(C)c3ccccc3n2C)o1 ZINC001178713480 1121808945 /nfs/dbraw/zinc/80/89/45/1121808945.db2.gz RCMWCZGMRFMTEV-UHFFFAOYSA-N 0 1 297.402 3.717 20 10 CHCDMN C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1c([O-])cccc1Cl ZINC000733324783 1121976807 /nfs/dbraw/zinc/97/68/07/1121976807.db2.gz CGHKRUMFHXLDFJ-LRDDRELGSA-N 0 1 297.826 3.731 20 10 CHCDMN CCCC[N@H+](CC)Cc1c([O-])cc(C)cc1Cl ZINC001180437458 1121987834 /nfs/dbraw/zinc/98/78/34/1121987834.db2.gz IBZPVJFMRKOFOC-UHFFFAOYSA-N 0 1 255.789 3.976 20 10 CHCDMN CCCC[N@@H+](CC)Cc1c([O-])cc(C)cc1Cl ZINC001180437458 1121987840 /nfs/dbraw/zinc/98/78/40/1121987840.db2.gz IBZPVJFMRKOFOC-UHFFFAOYSA-N 0 1 255.789 3.976 20 10 CHCDMN [O-]c1c(F)c(F)ccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC001180557835 1121999589 /nfs/dbraw/zinc/99/95/89/1121999589.db2.gz HJIMBUJJVXZQDT-UHFFFAOYSA-N 0 1 295.354 3.897 20 10 CHCDMN CCOC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC001181391284 1122054167 /nfs/dbraw/zinc/05/41/67/1122054167.db2.gz WMXAIBSOMFNTEZ-CQSZACIVSA-N 0 1 285.815 3.505 20 10 CHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001182356874 1122147432 /nfs/dbraw/zinc/14/74/32/1122147432.db2.gz PTPACVKVJOFRSB-NSHDSACASA-N 0 1 283.774 3.807 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c(Cl)c1 ZINC001182453749 1122161513 /nfs/dbraw/zinc/16/15/13/1122161513.db2.gz VREIVDASYNLTSK-SRVKXCTJSA-N 0 1 267.800 3.830 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c(Cl)c1 ZINC001182453749 1122161519 /nfs/dbraw/zinc/16/15/19/1122161519.db2.gz VREIVDASYNLTSK-SRVKXCTJSA-N 0 1 267.800 3.830 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC001182684096 1122182751 /nfs/dbraw/zinc/18/27/51/1122182751.db2.gz JQSHMMCAZGMGIM-KBPBESRZSA-N 0 1 265.784 3.714 20 10 CHCDMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001183168708 1122211154 /nfs/dbraw/zinc/21/11/54/1122211154.db2.gz AHFYLVADGLGLBD-XQJDBVBESA-N 0 1 263.356 3.710 20 10 CHCDMN C[C@@H]([NH2+]CC1(C)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000273349425 1122229335 /nfs/dbraw/zinc/22/93/35/1122229335.db2.gz BIVAZKIILASBRS-LLVKDONJSA-N 0 1 283.799 3.513 20 10 CHCDMN COc1cccc(O)c1C[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000775203902 1122478701 /nfs/dbraw/zinc/47/87/01/1122478701.db2.gz KGOMTGIHBULVFG-HNNXBMFYSA-N 0 1 299.414 3.772 20 10 CHCDMN CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775205159 1122481293 /nfs/dbraw/zinc/48/12/93/1122481293.db2.gz QBZYFNWCLFPWTK-INIZCTEOSA-N 0 1 297.826 3.827 20 10 CHCDMN C[C@H](NCc1cc(-c2ccccc2)on1)c1ccccc1O ZINC000183480999 1129057810 /nfs/dbraw/zinc/05/78/10/1129057810.db2.gz PGKBCLWVLUHGIT-ZDUSSCGKSA-N 0 1 294.354 3.898 20 10 CHCDMN Cc1ccc(O)c(CN[C@@H](C)c2c(F)cccc2F)c1 ZINC000071408074 1129062428 /nfs/dbraw/zinc/06/24/28/1129062428.db2.gz MDMIWHAUTGBQHY-NSHDSACASA-N 0 1 277.314 3.830 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000775490809 1122619283 /nfs/dbraw/zinc/61/92/83/1122619283.db2.gz XHWIBMKHWXYHGP-JSGCOSHPSA-N 0 1 283.799 3.655 20 10 CHCDMN CC[C@H]([NH2+]CC[C@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000775502529 1122630877 /nfs/dbraw/zinc/63/08/77/1122630877.db2.gz XGOQMAQCLLBVEV-GWCFXTLKSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000775508370 1122631536 /nfs/dbraw/zinc/63/15/36/1122631536.db2.gz BOTLXBFAWXZTFF-LNSITVRQSA-N 0 1 297.826 3.637 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775520201 1122638327 /nfs/dbraw/zinc/63/83/27/1122638327.db2.gz QPTMGIICLCGWGA-XUJVJEKNSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H](C)SC)c1cc(Cl)ccc1[O-] ZINC000775524661 1122641565 /nfs/dbraw/zinc/64/15/65/1122641565.db2.gz VRWNVBNHMLDKGY-BXKDBHETSA-N 0 1 273.829 3.838 20 10 CHCDMN CC[C@H]([NH2+]CCCCCCO)c1cc(Cl)ccc1[O-] ZINC000775531411 1122649879 /nfs/dbraw/zinc/64/98/79/1122649879.db2.gz BYWVHUKVJCJFLA-AWEZNQCLSA-N 0 1 285.815 3.639 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775548488 1122659242 /nfs/dbraw/zinc/65/92/42/1122659242.db2.gz SZETVYNIHMMDIJ-XUJVJEKNSA-N 0 1 297.826 3.901 20 10 CHCDMN CCC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775651307 1122864465 /nfs/dbraw/zinc/86/44/65/1122864465.db2.gz MHDLNLQRMCZEKS-VIFPVBQESA-N 0 1 259.752 3.805 20 10 CHCDMN CC[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775654967 1122866616 /nfs/dbraw/zinc/86/66/16/1122866616.db2.gz SFMDOKTWFIZWHM-VIFPVBQESA-N 0 1 259.752 3.663 20 10 CHCDMN CCCC[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000775652674 1122869024 /nfs/dbraw/zinc/86/90/24/1122869024.db2.gz PGTGUFWUDQVBJG-UHFFFAOYSA-N 0 1 253.773 3.810 20 10 CHCDMN C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775655860 1122869335 /nfs/dbraw/zinc/86/93/35/1122869335.db2.gz LTAOUWLMEYOWBV-UHFFFAOYSA-N 0 1 295.741 3.522 20 10 CHCDMN Cc1cc(Cl)cc(CN(C)Cc2ccoc2)c1O ZINC000775662882 1122876595 /nfs/dbraw/zinc/87/65/95/1122876595.db2.gz HOLUBMTZIRSPFN-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775700985 1122912248 /nfs/dbraw/zinc/91/22/48/1122912248.db2.gz ABOJDZYLGHFVLE-BDAKNGLRSA-N 0 1 289.803 3.511 20 10 CHCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000775701577 1122915697 /nfs/dbraw/zinc/91/56/97/1122915697.db2.gz HBFWCQPIWJUGTJ-NSHDSACASA-N 0 1 289.803 3.512 20 10 CHCDMN CSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775713335 1122919435 /nfs/dbraw/zinc/91/94/35/1122919435.db2.gz IJADRLBIHITOGM-VIFPVBQESA-N 0 1 291.819 3.758 20 10 CHCDMN CSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000775714793 1122921677 /nfs/dbraw/zinc/92/16/77/1122921677.db2.gz UBZFGUNUEZZASX-NSHDSACASA-N 0 1 287.856 3.927 20 10 CHCDMN CN(C)c1ccc(CN2CC(C)(CC(F)(F)F)C2)cc1 ZINC000839142063 1122999871 /nfs/dbraw/zinc/99/98/71/1122999871.db2.gz AHAPFEXLPBKFSS-UHFFFAOYSA-N 0 1 286.341 3.527 20 10 CHCDMN C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000776207913 1123146191 /nfs/dbraw/zinc/14/61/91/1123146191.db2.gz RIBCIGCHSSDZND-LLVKDONJSA-N 0 1 293.769 3.906 20 10 CHCDMN COc1cc(CNCc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850008229 1123237026 /nfs/dbraw/zinc/23/70/26/1123237026.db2.gz SGCUOOGXWLTXHL-UHFFFAOYSA-N 0 1 289.375 3.581 20 10 CHCDMN CCOc1ccc(O)c(CNc2nccc(C)c2C2CC2)c1 ZINC000850362419 1123257553 /nfs/dbraw/zinc/25/75/53/1123257553.db2.gz NQNBSCWONIQDEK-UHFFFAOYSA-N 0 1 298.386 3.984 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c(Cl)c1 ZINC000850394524 1123261930 /nfs/dbraw/zinc/26/19/30/1123261930.db2.gz VMNQOIVCYYSYDI-LBPRGKRZSA-N 0 1 289.753 3.735 20 10 CHCDMN Cc1ccc([C@H](C)N[C@H](C)c2cscn2)c(O)c1C ZINC000850511500 1123278303 /nfs/dbraw/zinc/27/83/03/1123278303.db2.gz GTUZBSLCDNCBRM-NWDGAFQWSA-N 0 1 276.405 3.877 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)c1nccn1C)c1cc(Cl)ccc1[O-] ZINC000850572745 1123295517 /nfs/dbraw/zinc/29/55/17/1123295517.db2.gz OZPINMUYRXDPMP-MFKMUULPSA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@H](N[C@H](C)c1nccn1C)c1cc(Cl)ccc1O ZINC000850572745 1123295521 /nfs/dbraw/zinc/29/55/21/1123295521.db2.gz OZPINMUYRXDPMP-MFKMUULPSA-N 0 1 293.798 3.581 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2CCC3(CCC3)O2)ccc2ccccc21 ZINC000895676888 1123503151 /nfs/dbraw/zinc/50/31/51/1123503151.db2.gz DMPZSBZVNCLWMW-INIZCTEOSA-N 0 1 297.398 3.737 20 10 CHCDMN Cc1cc(N(C)C)ccc1CNCc1ccc(F)cc1F ZINC000115629397 1123619982 /nfs/dbraw/zinc/61/99/82/1123619982.db2.gz XAMDOWZXSHRDNC-UHFFFAOYSA-N 0 1 290.357 3.629 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccns1 ZINC000858577895 1123664636 /nfs/dbraw/zinc/66/46/36/1123664636.db2.gz SEIHRKBYSSUFOR-DTWKUNHWSA-N 0 1 282.796 3.914 20 10 CHCDMN Cc1c[nH]c(CN(Cc2ccccc2O)C2CCCCC2)n1 ZINC000862212975 1123792804 /nfs/dbraw/zinc/79/28/04/1123792804.db2.gz ZFODLSIRNXOGDI-UHFFFAOYSA-N 0 1 299.418 3.759 20 10 CHCDMN COC1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000840792429 1123809120 /nfs/dbraw/zinc/80/91/20/1123809120.db2.gz LFOPTAPQHXQZPU-XGNXJENSSA-N 0 1 297.826 3.962 20 10 CHCDMN CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000840822401 1123827521 /nfs/dbraw/zinc/82/75/21/1123827521.db2.gz UKAXRZNVARJEBJ-JLZZUVOBSA-N 0 1 285.387 3.764 20 10 CHCDMN Cc1nc2ccc(NCc3ccc(F)c(F)c3O)cc2o1 ZINC000864024886 1123910505 /nfs/dbraw/zinc/91/05/05/1123910505.db2.gz IIWHLLPNKMBGDT-UHFFFAOYSA-N 0 1 290.269 3.732 20 10 CHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCC(F)(F)CC2)c1 ZINC000794685526 1123927767 /nfs/dbraw/zinc/92/77/67/1123927767.db2.gz JDHANKQADALDSH-UHFFFAOYSA-N 0 1 299.361 3.626 20 10 CHCDMN C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1c([O-])cccc1Cl ZINC000763646850 1129155584 /nfs/dbraw/zinc/15/55/84/1129155584.db2.gz KVQUSRQEDAUHMV-LLVKDONJSA-N 0 1 265.784 3.810 20 10 CHCDMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1c([O-])cccc1Cl ZINC000763646850 1129155587 /nfs/dbraw/zinc/15/55/87/1129155587.db2.gz KVQUSRQEDAUHMV-LLVKDONJSA-N 0 1 265.784 3.810 20 10 CHCDMN COCC1(C)CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840935855 1124030182 /nfs/dbraw/zinc/03/01/82/1124030182.db2.gz AUPXHHBKQWWTNB-UHFFFAOYSA-N 0 1 297.826 3.603 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2ccc(C)o2)cc1 ZINC000866478551 1124069856 /nfs/dbraw/zinc/06/98/56/1124069856.db2.gz JOWIAIXWKNDEHC-CQSZACIVSA-N 0 1 272.392 3.895 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])c1ccnn1C ZINC000866614999 1124089661 /nfs/dbraw/zinc/08/96/61/1124089661.db2.gz RYWUIUFYHIWDFW-CHWSQXEVSA-N 0 1 295.386 3.691 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1ccnn1C ZINC000866615002 1124089737 /nfs/dbraw/zinc/08/97/37/1124089737.db2.gz RYWUIUFYHIWDFW-STQMWFEESA-N 0 1 295.386 3.691 20 10 CHCDMN C/C(Cl)=C/CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000528419749 1124658492 /nfs/dbraw/zinc/65/84/92/1124658492.db2.gz PGNBAEAHRIIZQO-JEMSNHSXSA-N 0 1 295.810 3.516 20 10 CHCDMN CCCOc1ccc(CNCc2ccoc2)cc1C ZINC000873020145 1124734368 /nfs/dbraw/zinc/73/43/68/1124734368.db2.gz GZNLLIZDSNPERQ-UHFFFAOYSA-N 0 1 259.349 3.667 20 10 CHCDMN Oc1ccccc1C[N@@H+](CCC[C@@H]1CCO1)C1CCCC1 ZINC000876720759 1124972495 /nfs/dbraw/zinc/97/24/95/1124972495.db2.gz CGIBWYGSSRZMQX-QGZVFWFLSA-N 0 1 289.419 3.706 20 10 CHCDMN [O-]c1ccccc1C[N@H+](CCC[C@@H]1CCO1)C1CCCC1 ZINC000876720759 1124972498 /nfs/dbraw/zinc/97/24/98/1124972498.db2.gz CGIBWYGSSRZMQX-QGZVFWFLSA-N 0 1 289.419 3.706 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](CCC[C@@H]1CCO1)C1CCCC1 ZINC000876720759 1124972501 /nfs/dbraw/zinc/97/25/01/1124972501.db2.gz CGIBWYGSSRZMQX-QGZVFWFLSA-N 0 1 289.419 3.706 20 10 CHCDMN C[C@@H](NCc1ncc(C(C)(C)C)s1)c1ccccc1O ZINC000877755541 1125072531 /nfs/dbraw/zinc/07/25/31/1125072531.db2.gz DNBPNQWNKTWJRR-LLVKDONJSA-N 0 1 290.432 3.997 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccccc2O)c(Cl)c1 ZINC000877758311 1125074446 /nfs/dbraw/zinc/07/44/46/1125074446.db2.gz SFXHYJWMCGGSIK-NSHDSACASA-N 0 1 291.778 3.910 20 10 CHCDMN COCC1CCC([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000826121399 1125228263 /nfs/dbraw/zinc/22/82/63/1125228263.db2.gz POODNWNQSRJWFK-UHFFFAOYSA-N 0 1 297.826 3.649 20 10 CHCDMN CC(C)[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000211658934 1125314971 /nfs/dbraw/zinc/31/49/71/1125314971.db2.gz QNONFJSMKQDRCY-CYBMUJFWSA-N 0 1 253.773 3.666 20 10 CHCDMN CC(C)[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000211658934 1125314979 /nfs/dbraw/zinc/31/49/79/1125314979.db2.gz QNONFJSMKQDRCY-CYBMUJFWSA-N 0 1 253.773 3.666 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310873627 1125389870 /nfs/dbraw/zinc/38/98/70/1125389870.db2.gz QESHCDCZGWFBHA-TXEJJXNPSA-N 0 1 265.784 3.668 20 10 CHCDMN COc1ccc(CNCc2ccc(C)nc2Cl)cc1C ZINC000883291918 1125392284 /nfs/dbraw/zinc/39/22/84/1125392284.db2.gz XLKKTPFRAKZIEU-UHFFFAOYSA-N 0 1 290.794 3.650 20 10 CHCDMN C[C@H]([NH2+]C1CCC2(COC2)CC1)c1cc(Cl)ccc1[O-] ZINC000883382048 1125406983 /nfs/dbraw/zinc/40/69/83/1125406983.db2.gz YUCSYQLPFQTVAR-NSHDSACASA-N 0 1 295.810 3.655 20 10 CHCDMN CC[C@@H](C)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC001206605460 1129311143 /nfs/dbraw/zinc/31/11/43/1129311143.db2.gz QPZCDUIQUFXOAO-SNVBAGLBSA-N 0 1 255.789 3.880 20 10 CHCDMN Cc1ccc([C@H](C)NCc2ncc(Cl)s2)c(O)c1 ZINC000719393613 1129331985 /nfs/dbraw/zinc/33/19/85/1129331985.db2.gz FDQJMORQTHICCN-VIFPVBQESA-N 0 1 282.796 3.661 20 10 CHCDMN c1ccc2c(c1)SC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000735508495 1129348789 /nfs/dbraw/zinc/34/87/89/1129348789.db2.gz BSWLMKNTPMOFLO-HNNXBMFYSA-N 0 1 283.396 3.558 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000247075815 1129354877 /nfs/dbraw/zinc/35/48/77/1129354877.db2.gz SOOSBFKSEJGCJB-DHSIGJKJSA-N 0 1 299.414 3.747 20 10 CHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000091937697 1129375064 /nfs/dbraw/zinc/37/50/64/1129375064.db2.gz QGKPYFRTWHJHFT-AOOOYVTPSA-N 0 1 284.197 3.528 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc2ccccc2c1[O-] ZINC000248493052 1129419281 /nfs/dbraw/zinc/41/92/81/1129419281.db2.gz JRLBCKCZCXNKHY-MELADBBJSA-N 0 1 287.403 3.603 20 10 CHCDMN CC(C)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000742170310 1129468729 /nfs/dbraw/zinc/46/87/29/1129468729.db2.gz YPUHJZYDWNBEDJ-UHFFFAOYSA-N 0 1 284.403 3.808 20 10 CHCDMN CCN(CC)c1ccc(CNCc2occc2C)cc1F ZINC000742370242 1129474887 /nfs/dbraw/zinc/47/48/87/1129474887.db2.gz YNKHHWXGEBICMA-UHFFFAOYSA-N 0 1 290.382 3.863 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cc(F)ccc1[O-] ZINC000252814283 1129597817 /nfs/dbraw/zinc/59/78/17/1129597817.db2.gz SUQZTVGAAMNWOX-GVXVVHGQSA-N 0 1 251.345 3.761 20 10 CHCDMN CCO[C@@H](CC[NH2+]Cc1c([O-])cccc1Cl)C(C)C ZINC000746053443 1129624421 /nfs/dbraw/zinc/62/44/21/1129624421.db2.gz PXZFMSFMTFCCDW-HNNXBMFYSA-N 0 1 285.815 3.586 20 10 CHCDMN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000380743042 1129832479 /nfs/dbraw/zinc/83/24/79/1129832479.db2.gz ULFUALDIZOPRGY-QWHCGFSZSA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000380743042 1129832482 /nfs/dbraw/zinc/83/24/82/1129832482.db2.gz ULFUALDIZOPRGY-QWHCGFSZSA-N 0 1 255.361 3.776 20 10 CHCDMN CN(C)c1ccc(CN(C)Cc2cccs2)cc1F ZINC000768160771 1129837294 /nfs/dbraw/zinc/83/72/94/1129837294.db2.gz PCOIRPQGQUSRHN-UHFFFAOYSA-N 0 1 278.396 3.585 20 10 CHCDMN CCOc1ccc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000768263577 1129848191 /nfs/dbraw/zinc/84/81/91/1129848191.db2.gz VCHOFLNPIBZLTP-HIFRSBDPSA-N 0 1 277.408 3.801 20 10 CHCDMN CCOc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000768263577 1129848198 /nfs/dbraw/zinc/84/81/98/1129848198.db2.gz VCHOFLNPIBZLTP-HIFRSBDPSA-N 0 1 277.408 3.801 20 10 CHCDMN COCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000800492778 1129880620 /nfs/dbraw/zinc/88/06/20/1129880620.db2.gz OQSPZGRECYAQRO-NSHDSACASA-N 0 1 283.799 3.513 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC=CCC1 ZINC000769201099 1129896305 /nfs/dbraw/zinc/89/63/05/1129896305.db2.gz QQTIZYHKEXXJLJ-OAHLLOKOSA-N 0 1 259.393 3.961 20 10 CHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC=CCC1 ZINC000769201099 1129896311 /nfs/dbraw/zinc/89/63/11/1129896311.db2.gz QQTIZYHKEXXJLJ-OAHLLOKOSA-N 0 1 259.393 3.961 20 10 CHCDMN CCC[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCCO1 ZINC000769339530 1129903917 /nfs/dbraw/zinc/90/39/17/1129903917.db2.gz RDBWBKXKZBPKIS-OAHLLOKOSA-N 0 1 297.826 3.827 20 10 CHCDMN CCC[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCCO1 ZINC000769339530 1129903919 /nfs/dbraw/zinc/90/39/19/1129903919.db2.gz RDBWBKXKZBPKIS-OAHLLOKOSA-N 0 1 297.826 3.827 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000769388796 1129905452 /nfs/dbraw/zinc/90/54/52/1129905452.db2.gz HUJCVRZQUFLFMU-LLVKDONJSA-N 0 1 277.751 3.628 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000769388796 1129905456 /nfs/dbraw/zinc/90/54/56/1129905456.db2.gz HUJCVRZQUFLFMU-LLVKDONJSA-N 0 1 277.751 3.628 20 10 CHCDMN COc1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000769405606 1129906786 /nfs/dbraw/zinc/90/67/86/1129906786.db2.gz JRAMHYVLWSDMOZ-UHFFFAOYSA-N 0 1 299.157 3.715 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000769514324 1129915127 /nfs/dbraw/zinc/91/51/27/1129915127.db2.gz JEAFNGOINPGUTQ-JTQLQIEISA-N 0 1 286.202 3.931 20 10 CHCDMN CC(C)[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000769547220 1129917127 /nfs/dbraw/zinc/91/71/27/1129917127.db2.gz BPLANXWSTXNJHE-CQSZACIVSA-N 0 1 285.840 3.619 20 10 CHCDMN CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000769547220 1129917128 /nfs/dbraw/zinc/91/71/28/1129917128.db2.gz BPLANXWSTXNJHE-CQSZACIVSA-N 0 1 285.840 3.619 20 10 CHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(F)cn1 ZINC000771383000 1129977441 /nfs/dbraw/zinc/97/74/41/1129977441.db2.gz JOOACICLNLPFAU-AWEZNQCLSA-N 0 1 299.393 3.672 20 10 CHCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000771939264 1129997083 /nfs/dbraw/zinc/99/70/83/1129997083.db2.gz PCHQDBIQUGBRHK-HNNXBMFYSA-N 0 1 273.763 3.993 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000771939264 1129997085 /nfs/dbraw/zinc/99/70/85/1129997085.db2.gz PCHQDBIQUGBRHK-HNNXBMFYSA-N 0 1 273.763 3.993 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000771939264 1129997089 /nfs/dbraw/zinc/99/70/89/1129997089.db2.gz PCHQDBIQUGBRHK-HNNXBMFYSA-N 0 1 273.763 3.993 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])CC(C)(C)COC ZINC000802658028 1130027756 /nfs/dbraw/zinc/02/77/56/1130027756.db2.gz ZNDFHPPFOADCAL-UHFFFAOYSA-N 0 1 279.424 3.667 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])CC(C)(C)COC ZINC000802658028 1130027759 /nfs/dbraw/zinc/02/77/59/1130027759.db2.gz ZNDFHPPFOADCAL-UHFFFAOYSA-N 0 1 279.424 3.667 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000786576310 1130108253 /nfs/dbraw/zinc/10/82/53/1130108253.db2.gz SPHMAHKYWDHOEG-OPQQBVKSSA-N 0 1 271.788 3.510 20 10 CHCDMN C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cc(Cl)ccc1[O-] ZINC000903281278 1130144770 /nfs/dbraw/zinc/14/47/70/1130144770.db2.gz GJORIWNVYHIFFW-BSROQFBASA-N 0 1 295.810 3.654 20 10 CHCDMN CC[C@H](NCc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000787438475 1130150121 /nfs/dbraw/zinc/15/01/21/1130150121.db2.gz AAASJNDUOUGSPT-VIFPVBQESA-N 0 1 285.668 3.615 20 10 CHCDMN COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000903329672 1130157289 /nfs/dbraw/zinc/15/72/89/1130157289.db2.gz CPTUIMZLLHAOGY-VHSXEESVSA-N 0 1 271.788 3.510 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])nc1 ZINC000789588190 1130260808 /nfs/dbraw/zinc/26/08/08/1130260808.db2.gz ACJUEFIVQNTCFG-UHFFFAOYSA-N 0 1 294.757 3.520 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)c2ccccn2)cc1Cl ZINC000826803165 1130283468 /nfs/dbraw/zinc/28/34/68/1130283468.db2.gz MXZFTTSKOPSJNV-GFCCVEGCSA-N 0 1 290.794 3.642 20 10 CHCDMN C[C@H](C1CC1)[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000792162953 1130434520 /nfs/dbraw/zinc/43/45/20/1130434520.db2.gz SNSWQWRKVHDCRJ-SECBINFHSA-N 0 1 283.774 3.948 20 10 CHCDMN C[C@@H]1SCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC000792164804 1130434786 /nfs/dbraw/zinc/43/47/86/1130434786.db2.gz FGHFPWPHXLXSAK-IUCAKERBSA-N 0 1 289.803 3.511 20 10 CHCDMN C[C@H]([N@@H+](C)Cc1c([O-])ccc(Cl)c1F)C1(C)CC1 ZINC000792170647 1130436094 /nfs/dbraw/zinc/43/60/94/1130436094.db2.gz SXFNQPJJLXCKIK-VIFPVBQESA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793220971 1130530223 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C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCC1(F)F ZINC000811511542 1130618537 /nfs/dbraw/zinc/61/85/37/1130618537.db2.gz MNBJWCIBSQMTBG-SECBINFHSA-N 0 1 275.726 3.523 20 10 CHCDMN CCOc1ccc(C[N@H+](CC)CC(C)(C)C)c([O-])c1 ZINC000812795002 1130718422 /nfs/dbraw/zinc/71/84/22/1130718422.db2.gz TXTFBYFJPRCZOX-UHFFFAOYSA-N 0 1 265.397 3.659 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC)CC(C)(C)C)c([O-])c1 ZINC000812795002 1130718425 /nfs/dbraw/zinc/71/84/25/1130718425.db2.gz TXTFBYFJPRCZOX-UHFFFAOYSA-N 0 1 265.397 3.659 20 10 CHCDMN CC(C)(C)c1ccc(CN2CC[C@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001235673846 1130765993 /nfs/dbraw/zinc/76/59/93/1130765993.db2.gz AJIOQVFEGCBEHZ-RDJZCZTQSA-N 0 1 297.389 3.962 20 10 CHCDMN CSC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000814178883 1130834601 /nfs/dbraw/zinc/83/46/01/1130834601.db2.gz HJSVNAUOPBITJK-NSHDSACASA-N 0 1 285.840 3.621 20 10 CHCDMN CSC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000814178883 1130834607 /nfs/dbraw/zinc/83/46/07/1130834607.db2.gz 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C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@@]1(C)O ZINC001231879353 1132389568 /nfs/dbraw/zinc/38/95/68/1132389568.db2.gz CJPHJIUJKVJYNF-AUUYWEPGSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@@]1(C)O ZINC001231879353 1132389573 /nfs/dbraw/zinc/38/95/73/1132389573.db2.gz CJPHJIUJKVJYNF-AUUYWEPGSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@]1(CO)CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001231879586 1132389795 /nfs/dbraw/zinc/38/97/95/1132389795.db2.gz JCLRLWCMZGVFGS-IBGZPJMESA-N 0 1 299.414 3.530 20 10 CHCDMN C[C@]1(CO)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001231879586 1132389801 /nfs/dbraw/zinc/38/98/01/1132389801.db2.gz JCLRLWCMZGVFGS-IBGZPJMESA-N 0 1 299.414 3.530 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@]1(C)O ZINC001231879355 1132390253 /nfs/dbraw/zinc/39/02/53/1132390253.db2.gz CJPHJIUJKVJYNF-KUHUBIRLSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@]1(C)O ZINC001231879355 1132390261 /nfs/dbraw/zinc/39/02/61/1132390261.db2.gz CJPHJIUJKVJYNF-KUHUBIRLSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@@H]1CCN(Cc2cccc(Cl)c2O)CC1(F)F ZINC001231911018 1132391091 /nfs/dbraw/zinc/39/10/91/1132391091.db2.gz YQXAVIBMDBFWBP-SECBINFHSA-N 0 1 275.726 3.523 20 10 CHCDMN CCCCOC1CN(Cc2ccc3ccccc3c2O)C1 ZINC001231882625 1132391147 /nfs/dbraw/zinc/39/11/47/1132391147.db2.gz QLFNRFKQWBCYSN-UHFFFAOYSA-N 0 1 285.387 3.546 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc2ccccc21 ZINC001231879349 1132391406 /nfs/dbraw/zinc/39/14/06/1132391406.db2.gz CGPTXAFTCKNZNF-YJBOKZPZSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc2ccccc21 ZINC001231879349 1132391412 /nfs/dbraw/zinc/39/14/12/1132391412.db2.gz CGPTXAFTCKNZNF-YJBOKZPZSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001231912870 1132398381 /nfs/dbraw/zinc/39/83/81/1132398381.db2.gz CRPWDCCRUIMHNR-UHFFFAOYSA-N 0 1 277.751 3.803 20 10 CHCDMN Oc1c(Cl)cccc1CN1CCCC[C@@H]1C(F)(F)F 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295.810 3.676 20 10 CHCDMN CC(C)(C)c1cccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001143104539 1132501415 /nfs/dbraw/zinc/50/14/15/1132501415.db2.gz UXSAGVYWKWBGDZ-WMLDXEAASA-N 0 1 297.389 3.962 20 10 CHCDMN CC(C)(C)c1cccc(CN2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001143104539 1132501421 /nfs/dbraw/zinc/50/14/21/1132501421.db2.gz UXSAGVYWKWBGDZ-WMLDXEAASA-N 0 1 297.389 3.962 20 10 CHCDMN C[N@@H+](Cc1ccncc1)Cc1cccc(C(C)(C)C)c1O ZINC001143104183 1132501955 /nfs/dbraw/zinc/50/19/55/1132501955.db2.gz QJOHSGQSCWWWQD-UHFFFAOYSA-N 0 1 284.403 3.717 20 10 CHCDMN [O-]c1c(C[N@@H+](Cc2ccccc2)C2CC2)ccc(F)c1F ZINC001233078194 1132570395 /nfs/dbraw/zinc/57/03/95/1132570395.db2.gz LFGDAVRMMITXPV-UHFFFAOYSA-N 0 1 289.325 3.835 20 10 CHCDMN CN(Cc1cncs1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286785 1132595270 /nfs/dbraw/zinc/59/52/70/1132595270.db2.gz IWOJVTPDCBYQJP-UHFFFAOYSA-N 0 1 290.432 3.778 20 10 CHCDMN CN(Cc1ccccn1)Cc1cc(C(C)(C)C)ccc1O ZINC001233283432 1132595518 /nfs/dbraw/zinc/59/55/18/1132595518.db2.gz GROFPHNINKACRM-UHFFFAOYSA-N 0 1 284.403 3.717 20 10 CHCDMN C[C@@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415909 1132619227 /nfs/dbraw/zinc/61/92/27/1132619227.db2.gz NXGVJULQIXYLRM-SNVBAGLBSA-N 0 1 273.298 3.785 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001233454396 1132626424 /nfs/dbraw/zinc/62/64/24/1132626424.db2.gz TVSAPSHVLCNQAJ-SNVBAGLBSA-N 0 1 291.288 3.593 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC001233454396 1132626426 /nfs/dbraw/zinc/62/64/26/1132626426.db2.gz TVSAPSHVLCNQAJ-SNVBAGLBSA-N 0 1 291.288 3.593 20 10 CHCDMN CCC(CC)[N@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233768788 1132678025 /nfs/dbraw/zinc/67/80/25/1132678025.db2.gz ZDLRAHIPRODTMX-UHFFFAOYSA-N 0 1 291.313 3.911 20 10 CHCDMN CCC(CC)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233768788 1132678031 /nfs/dbraw/zinc/67/80/31/1132678031.db2.gz ZDLRAHIPRODTMX-UHFFFAOYSA-N 0 1 291.313 3.911 20 10 CHCDMN Clc1cc2[nH]ncc2c(Nc2ccc3c(c2)CCN3)c1 ZINC001159522932 1132858222 /nfs/dbraw/zinc/85/82/22/1132858222.db2.gz QDTVVMSPZVDNTA-UHFFFAOYSA-N 0 1 284.750 3.928 20 10 CHCDMN Cc1cccc2ccnc(NCc3ccc(N)cc3)c12 ZINC001162787391 1133112196 /nfs/dbraw/zinc/11/21/96/1133112196.db2.gz KAXBOUHDMFZBOR-UHFFFAOYSA-N 0 1 263.344 3.738 20 10 CHCDMN CCN(CC)c1ccc(CN2CCC[C@](C)(F)C2)cc1 ZINC001203940584 1133386966 /nfs/dbraw/zinc/38/69/66/1133386966.db2.gz QNHDWWCTYZIUHG-KRWDZBQOSA-N 0 1 278.415 3.857 20 10 CHCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCCc2sccc2C1 ZINC001204170871 1133415403 /nfs/dbraw/zinc/41/54/03/1133415403.db2.gz NTWRRQIVDVIOOD-UHFFFAOYSA-N 0 1 295.354 3.680 20 10 CHCDMN CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001205907543 1133629127 /nfs/dbraw/zinc/62/91/27/1133629127.db2.gz JIRVPALTTRJGTP-MRXNPFEDSA-N 0 1 265.372 3.932 20 10 CHCDMN Oc1cccc2c1CN(C/C=C\c1cccc(F)c1)C2 ZINC001207243759 1133782072 /nfs/dbraw/zinc/78/20/72/1133782072.db2.gz PIRBQSSWRMCTGF-HYXAFXHYSA-N 0 1 269.319 3.560 20 10 CHCDMN Oc1cccc2c1CN(C/C=C/c1ccc(F)c(F)c1)C2 ZINC001207242933 1133782400 /nfs/dbraw/zinc/78/24/00/1133782400.db2.gz GVBSPGWDZKEAAF-NSCUHMNNSA-N 0 1 287.309 3.699 20 10 CHCDMN CC[N@@H+](CCc1ccc(F)cc1)Cc1ccccc1O ZINC001207517440 1133812174 /nfs/dbraw/zinc/81/21/74/1133812174.db2.gz QQDXJLSHCVGSLY-UHFFFAOYSA-N 0 1 273.351 3.596 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001207744375 1133843639 /nfs/dbraw/zinc/84/36/39/1133843639.db2.gz DQFWJZPVJDXMRE-INIZCTEOSA-N 0 1 288.778 3.682 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179950745 1134561306 /nfs/dbraw/zinc/56/13/06/1134561306.db2.gz OPRRYPRMOYAZJV-JTQLQIEISA-N 0 1 293.716 3.820 20 10 CHCDMN Oc1ccc(Cl)cc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000179950745 1134561312 /nfs/dbraw/zinc/56/13/12/1134561312.db2.gz OPRRYPRMOYAZJV-JTQLQIEISA-N 0 1 293.716 3.820 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179950745 1134561303 /nfs/dbraw/zinc/56/13/03/1134561303.db2.gz OPRRYPRMOYAZJV-JTQLQIEISA-N 0 1 293.716 3.820 20 10 CHCDMN CN(c1ccc(N)cc1)c1ccc(Cl)c(O)c1F ZINC001214803675 1134575141 /nfs/dbraw/zinc/57/51/41/1134575141.db2.gz CGKQBZKUSQFZSY-UHFFFAOYSA-N 0 1 266.703 3.535 20 10 CHCDMN O=C1C=CC(=N[N-]c2cccc[nH+]2)C(O[C@H]2CCCOC2)=C1 ZINC001227489730 1135839924 /nfs/dbraw/zinc/83/99/24/1135839924.db2.gz PKABNAYETGHOPJ-HVCBDAARSA-N 0 1 299.330 3.760 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000021801619 171326204 /nfs/dbraw/zinc/32/62/04/171326204.db2.gz FZAXNMUJOFUEOG-UHFFFAOYSA-N 0 1 253.773 3.858 20 10 CHCDMN C[C@H]([NH2+]C1CCSCC1)c1cc(Cl)ccc1[O-] ZINC000185978658 262074437 /nfs/dbraw/zinc/07/44/37/262074437.db2.gz UGOZPMXDKOCFHP-VIFPVBQESA-N 0 1 271.813 3.592 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2nc(C3CC3)cs2)c(O)c1 ZINC000186117536 262079781 /nfs/dbraw/zinc/07/97/81/262079781.db2.gz PKMUOCKLRAVSTC-LLVKDONJSA-N 0 1 288.416 3.885 20 10 CHCDMN CCOCCC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000186155231 262081815 /nfs/dbraw/zinc/08/18/15/262081815.db2.gz RRHXVHHLKBLQQS-GFCCVEGCSA-N 0 1 297.826 3.903 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000278613843 327177790 /nfs/dbraw/zinc/17/77/90/327177790.db2.gz RGPKQDDKPNZFFY-IIYDPXPESA-N 0 1 285.387 3.621 20 10 CHCDMN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2ncccc2F)c1 ZINC000528034993 330302515 /nfs/dbraw/zinc/30/25/15/330302515.db2.gz CRIVSWUDKRPZMZ-NEPJUHHUSA-N 0 1 274.339 3.647 20 10 CHCDMN C[C@@H]([NH2+]CCOCC1CC1)c1ccc2ccccc2c1[O-] ZINC000230661312 333319753 /nfs/dbraw/zinc/31/97/53/333319753.db2.gz OACFTQNBFVYEPV-CYBMUJFWSA-N 0 1 285.387 3.623 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1cnn(C)c1 ZINC000273366863 334764735 /nfs/dbraw/zinc/76/47/35/334764735.db2.gz BRUFTYRQYWQBGO-STQMWFEESA-N 0 1 295.386 3.691 20 10 CHCDMN CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000040773762 519362903 /nfs/dbraw/zinc/36/29/03/519362903.db2.gz XCUWEMABAVJCCA-DZGCQCFKSA-N 0 1 287.403 3.603 20 10 CHCDMN CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000094936315 522144050 /nfs/dbraw/zinc/14/40/50/522144050.db2.gz BAEKVJVUDXQGJY-UONOGXRCSA-N 0 1 287.403 3.605 20 10 CHCDMN CN(C)c1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1F ZINC000127462401 522178254 /nfs/dbraw/zinc/17/82/54/522178254.db2.gz CFYYMEHSBAZCSH-KRWDZBQOSA-N 0 1 287.382 3.557 20 10 CHCDMN COCC(C)(C)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000290109991 522808038 /nfs/dbraw/zinc/80/80/38/522808038.db2.gz LASIYUVCWVHELV-UHFFFAOYSA-N 0 1 285.815 3.588 20 10 CHCDMN CC[C@@H](N[C@H](C)c1nnc(C)s1)c1ccc(C)cc1O ZINC000280126274 522940689 /nfs/dbraw/zinc/94/06/89/522940689.db2.gz ORGKINCXGNHVPP-ZWNOBZJWSA-N 0 1 291.420 3.662 20 10 CHCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccnc1 ZINC000248049553 523262824 /nfs/dbraw/zinc/26/28/24/523262824.db2.gz NACVDSJJFJELGU-UHFFFAOYSA-N 0 1 295.430 3.704 20 10 CHCDMN CO[C@@](C)(C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000291207754 523797127 /nfs/dbraw/zinc/79/71/27/523797127.db2.gz MNQLGYFJAMPGGB-BONVTDFDSA-N 0 1 283.799 3.511 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278315979 526325836 /nfs/dbraw/zinc/32/58/36/526325836.db2.gz FRVAUSCVHVHZCA-VIFPVBQESA-N 0 1 293.716 3.820 20 10 CHCDMN CC[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CCC1 ZINC000737101502 600418108 /nfs/dbraw/zinc/41/81/08/600418108.db2.gz AIXGCMPKDBBILA-UHFFFAOYSA-N 0 1 299.370 3.618 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775490642 1122620082 /nfs/dbraw/zinc/62/00/82/1122620082.db2.gz CVUJNVFPFIBKDF-BXUZGUMPSA-N 0 1 283.799 3.513 20 10 CHCDMN CC[C@H]([NH2+][C@H](COC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775524606 1122642453 /nfs/dbraw/zinc/64/24/53/1122642453.db2.gz SUMNAYVHOBBEDA-UONOGXRCSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000850481921 1123273139 /nfs/dbraw/zinc/27/31/39/1123273139.db2.gz OQJJSJLLFSBDFI-DGCLKSJQSA-N 0 1 296.842 3.569 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc(Cl)ccc1[O-] ZINC000850551329 1123289933 /nfs/dbraw/zinc/28/99/33/1123289933.db2.gz GWKBBFGIHAMHIO-PRHODGIISA-N 0 1 289.753 3.988 20 10 CHCDMN C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000857081690 1123585687 /nfs/dbraw/zinc/58/56/87/1123585687.db2.gz QDOWEUBOKXSDPA-BDAKNGLRSA-N 0 1 275.726 3.742 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Cl)C1CCCCC1 ZINC000131742926 1125409944 /nfs/dbraw/zinc/40/99/44/1125409944.db2.gz JYYCXGYYKHOTCD-UHFFFAOYSA-N 0 1 253.773 3.810 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C1CCCCC1 ZINC000131742926 1125409947 /nfs/dbraw/zinc/40/99/47/1125409947.db2.gz JYYCXGYYKHOTCD-UHFFFAOYSA-N 0 1 253.773 3.810 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CF)C2)cc1Cl ZINC001231870708 1132383107 /nfs/dbraw/zinc/38/31/07/1132383107.db2.gz PCYWTPXWYZEDCW-LLVKDONJSA-N 0 1 271.763 3.536 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CF)C2)cc1Cl ZINC001231870708 1132383115 /nfs/dbraw/zinc/38/31/15/1132383115.db2.gz PCYWTPXWYZEDCW-LLVKDONJSA-N 0 1 271.763 3.536 20 10 CHCDMN COC(C)(C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000404299009 1134944432 /nfs/dbraw/zinc/94/44/32/1134944432.db2.gz GRAXBRYEYKAUSC-UHFFFAOYSA-N 0 1 292.206 3.556 20 10 CHCDMN C[C@@H]1C[C@@H](C)[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000134957844 1125570473 /nfs/dbraw/zinc/57/04/73/1125570473.db2.gz UZIDCXPKQQTGEZ-CHWSQXEVSA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000134957844 1125570485 /nfs/dbraw/zinc/57/04/85/1125570485.db2.gz UZIDCXPKQQTGEZ-CHWSQXEVSA-N 0 1 255.361 3.776 20 10 CHCDMN CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752228 1125582338 /nfs/dbraw/zinc/58/23/38/1125582338.db2.gz NJLRGPOFPCPBRI-JTQLQIEISA-N 0 1 271.788 3.511 20 10 CHCDMN C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(Cl)cc1[O-] ZINC000886684700 1125706870 /nfs/dbraw/zinc/70/68/70/1125706870.db2.gz QFLWLWIGGHAYPO-SECBINFHSA-N 0 1 292.766 3.762 20 10 CHCDMN Cc1ccc([C@H](C)NCc2cc(C3CC3)no2)c(O)c1C ZINC000886684507 1125707896 /nfs/dbraw/zinc/70/78/96/1125707896.db2.gz MTKKMSLGDYIPHF-LBPRGKRZSA-N 0 1 286.375 3.725 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539334 1125755831 /nfs/dbraw/zinc/75/58/31/1125755831.db2.gz RSHYQKCSXLTVCY-GWCFXTLKSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539334 1125755837 /nfs/dbraw/zinc/75/58/37/1125755837.db2.gz RSHYQKCSXLTVCY-GWCFXTLKSA-N 0 1 296.208 3.529 20 10 CHCDMN CO[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000293669348 1129179043 /nfs/dbraw/zinc/17/90/43/1129179043.db2.gz JHJVEAVNCJPFHE-YVEFUNNKSA-N 0 1 285.387 3.621 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000800276623 1129862088 /nfs/dbraw/zinc/86/20/88/1129862088.db2.gz MVUVOEHWIVVRNA-SNVBAGLBSA-N 0 1 289.753 3.961 20 10 CHCDMN CC[C@H]([NH2+]CC1(SC)CC1)c1cc(Cl)ccc1[O-] ZINC000788605157 1130197156 /nfs/dbraw/zinc/19/71/56/1130197156.db2.gz GTSWUPXLCLDRFP-LBPRGKRZSA-N 0 1 285.840 3.982 20 10 CHCDMN C[C@H]1CCSCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000792195654 1130437675 /nfs/dbraw/zinc/43/76/75/1130437675.db2.gz DAVBTBJADVIASK-VIFPVBQESA-N 0 1 289.803 3.512 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCC1(F)F ZINC000811512062 1130618366 /nfs/dbraw/zinc/61/83/66/1130618366.db2.gz DEDLIHPAQBUHJE-MRVPVSSYSA-N 0 1 293.716 3.662 20 10 CHCDMN C[C@@H](NCc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000182118130 1126866215 /nfs/dbraw/zinc/86/62/15/1126866215.db2.gz XVKWUTRRRQCPIJ-GFCCVEGCSA-N 0 1 289.810 3.652 20 10 CHCDMN CSCC[C@H](C)[N@@H+](C)Cc1c(O)cccc1Cl ZINC000129018909 1126917194 /nfs/dbraw/zinc/91/71/94/1126917194.db2.gz NDCPGIXPRUFLKG-JTQLQIEISA-N 0 1 273.829 3.619 20 10 CHCDMN CSCC[C@H](C)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000129018909 1126917195 /nfs/dbraw/zinc/91/71/95/1126917195.db2.gz NDCPGIXPRUFLKG-JTQLQIEISA-N 0 1 273.829 3.619 20 10 CHCDMN CSCC[C@H](C)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000129018909 1126917198 /nfs/dbraw/zinc/91/71/98/1126917198.db2.gz NDCPGIXPRUFLKG-JTQLQIEISA-N 0 1 273.829 3.619 20 10 CHCDMN Cc1nc([C@H]2CCCN2Cc2cccc(C)c2O)cs1 ZINC000189918607 1126935885 /nfs/dbraw/zinc/93/58/85/1126935885.db2.gz YVEATUNHHWHHQC-OAHLLOKOSA-N 0 1 288.416 3.803 20 10 CHCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)C1(C)C ZINC001319706720 1126981984 /nfs/dbraw/zinc/98/19/84/1126981984.db2.gz ABOINNWJLQRVGU-UHFFFAOYSA-N 0 1 253.773 3.666 20 10 CHCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)C1(C)C ZINC001319706720 1126981986 /nfs/dbraw/zinc/98/19/86/1126981986.db2.gz ABOINNWJLQRVGU-UHFFFAOYSA-N 0 1 253.773 3.666 20 10 CHCDMN C[N@@H+](Cc1cccnc1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236792520 1131007917 /nfs/dbraw/zinc/00/79/17/1131007917.db2.gz DTCCFEGXFJEYJF-UHFFFAOYSA-N 0 1 297.185 3.726 20 10 CHCDMN CCC(CC)[N@@H+](C)Cc1c(O)ccc(F)c1Cl ZINC001237131661 1131054436 /nfs/dbraw/zinc/05/44/36/1131054436.db2.gz WFTXOJRUIGTOCD-UHFFFAOYSA-N 0 1 259.752 3.805 20 10 CHCDMN CCC(CC)[N@H+](C)Cc1c([O-])ccc(F)c1Cl ZINC001237131661 1131054440 /nfs/dbraw/zinc/05/44/40/1131054440.db2.gz WFTXOJRUIGTOCD-UHFFFAOYSA-N 0 1 259.752 3.805 20 10 CHCDMN CCC(CC)[N@@H+](C)Cc1c([O-])ccc(F)c1Cl ZINC001237131661 1131054443 /nfs/dbraw/zinc/05/44/43/1131054443.db2.gz WFTXOJRUIGTOCD-UHFFFAOYSA-N 0 1 259.752 3.805 20 10 CHCDMN C[C@H]1C[C@@H](CF)N(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138797 1131055434 /nfs/dbraw/zinc/05/54/34/1131055434.db2.gz YVUJTAGUPGZUMR-CABZTGNLSA-N 0 1 291.288 3.591 20 10 CHCDMN CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000760655441 1127147013 /nfs/dbraw/zinc/14/70/13/1127147013.db2.gz YGTQEIQOBNCUFH-JTQLQIEISA-N 0 1 281.705 3.866 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC001237621333 1131119506 /nfs/dbraw/zinc/11/95/06/1131119506.db2.gz YTQQPGJDBRAWDP-UWVGGRQHSA-N 0 1 271.763 3.805 20 10 CHCDMN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000817587416 1131173837 /nfs/dbraw/zinc/17/38/37/1131173837.db2.gz WLHNXCOBEADBRV-RAIGVLPGSA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1c2ccccc2n(C)c1CNCc1ccnn1C(C)C ZINC000355122460 1127318515 /nfs/dbraw/zinc/31/85/15/1127318515.db2.gz MEIWIIBFPHRSJE-UHFFFAOYSA-N 0 1 296.418 3.554 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000158227711 1127467746 /nfs/dbraw/zinc/46/77/46/1127467746.db2.gz SOOSBFKSEJGCJB-SIIHOXLZSA-N 0 1 299.414 3.747 20 10 CHCDMN C[C@@H]([NH2+]C1CC=CC1)c1ccc2ccccc2c1[O-] ZINC000168822626 1127471163 /nfs/dbraw/zinc/47/11/63/1127471163.db2.gz CJESZTPGHDJRFQ-GFCCVEGCSA-N 0 1 253.345 3.915 20 10 CHCDMN CC[N@@H+](Cc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000295359031 1127637830 /nfs/dbraw/zinc/63/78/30/1127637830.db2.gz NRJIXVIYABDSDU-UHFFFAOYSA-N 0 1 294.757 3.602 20 10 CHCDMN COc1cc([O-])c(C[N@H+](C)C[C@H]2CC2(C)C)cc1Cl ZINC001232270083 1127653637 /nfs/dbraw/zinc/65/36/37/1127653637.db2.gz SMNDOAHVNJXPEE-LLVKDONJSA-N 0 1 283.799 3.532 20 10 CHCDMN COc1cc([O-])c(C[N@@H+](C)C[C@H]2CC2(C)C)cc1Cl ZINC001232270083 1127653638 /nfs/dbraw/zinc/65/36/38/1127653638.db2.gz SMNDOAHVNJXPEE-LLVKDONJSA-N 0 1 283.799 3.532 20 10 CHCDMN CCc1nc([C@@H](C)N[C@@H]2CCc3cccc(O)c32)cs1 ZINC000297685648 1127704094 /nfs/dbraw/zinc/70/40/94/1127704094.db2.gz LRZHDEFSDRJAPV-ZYHUDNBSSA-N 0 1 288.416 3.749 20 10 CHCDMN Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])no1 ZINC000375020296 1127924779 /nfs/dbraw/zinc/92/47/79/1127924779.db2.gz MSUMQZNDHNZJHY-CQSZACIVSA-N 0 1 292.766 3.679 20 10 CHCDMN Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])no1 ZINC000375020296 1127924782 /nfs/dbraw/zinc/92/47/82/1127924782.db2.gz MSUMQZNDHNZJHY-CQSZACIVSA-N 0 1 292.766 3.679 20 10 CHCDMN Clc1sccc1CNCc1ccc2c(c1)CCO2 ZINC000312757230 1128088879 /nfs/dbraw/zinc/08/88/79/1128088879.db2.gz QTQSVGDFHPQXPN-UHFFFAOYSA-N 0 1 279.792 3.626 20 10 CHCDMN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)ccc2C1 ZINC001168444771 1128099557 /nfs/dbraw/zinc/09/95/57/1128099557.db2.gz GYFSEHOZROBKMK-SFHVURJKSA-N 0 1 299.389 3.911 20 10 CHCDMN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)ccc2C1 ZINC001168444771 1128099559 /nfs/dbraw/zinc/09/95/59/1128099559.db2.gz GYFSEHOZROBKMK-SFHVURJKSA-N 0 1 299.389 3.911 20 10 CHCDMN CC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000915208577 1128291931 /nfs/dbraw/zinc/29/19/31/1128291931.db2.gz GOLSUYJPLQIYRC-ZDUSSCGKSA-N 0 1 270.376 3.562 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000915208577 1128291933 /nfs/dbraw/zinc/29/19/33/1128291933.db2.gz GOLSUYJPLQIYRC-ZDUSSCGKSA-N 0 1 270.376 3.562 20 10 CHCDMN CCOC[C@H](C)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000779073525 1128719555 /nfs/dbraw/zinc/71/95/55/1128719555.db2.gz OONDIPVSRGWBEX-GWCFXTLKSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000160255490 1117915331 /nfs/dbraw/zinc/91/53/31/1117915331.db2.gz ANGURZJKIGRXPK-ZYHUDNBSSA-N 0 1 253.773 3.809 20 10 CHCDMN Cc1cccc(CN(C)Cc2nc3ccccc3s2)c1O ZINC000179610643 1128751113 /nfs/dbraw/zinc/75/11/13/1128751113.db2.gz HHTCFSFFRLVSNI-UHFFFAOYSA-N 0 1 298.411 3.942 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000083552206 1118169747 /nfs/dbraw/zinc/16/97/47/1118169747.db2.gz VSMKBYWAGPHMSO-UHFFFAOYSA-N 0 1 283.705 3.614 20 10 CHCDMN Cc1ccoc1CNCc1c(C)c2ccccc2n1C ZINC000312665403 1118355365 /nfs/dbraw/zinc/35/53/65/1118355365.db2.gz IDTLGDVRQDWWIB-UHFFFAOYSA-N 0 1 268.360 3.678 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccccc1F ZINC000083551452 1118356312 /nfs/dbraw/zinc/35/63/12/1118356312.db2.gz LMJBUDMNGAMHMU-UHFFFAOYSA-N 0 1 279.742 3.517 20 10 CHCDMN CCc1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000086485750 1118440523 /nfs/dbraw/zinc/44/05/23/1118440523.db2.gz VBWGNTZTGYOBDJ-UHFFFAOYSA-N 0 1 275.779 3.898 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC2(C)CCC2)c(Cl)c1 ZINC001656651652 1118448257 /nfs/dbraw/zinc/44/82/57/1118448257.db2.gz AAVWMYBPIHNLQU-UHFFFAOYSA-N 0 1 253.773 3.634 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C)CC2)cc1Cl ZINC001658348086 1118466905 /nfs/dbraw/zinc/46/69/05/1118466905.db2.gz JDDGBMSAIQDRTO-NSHDSACASA-N 0 1 267.800 3.976 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C)CC2)cc1Cl ZINC001658348086 1118466908 /nfs/dbraw/zinc/46/69/08/1118466908.db2.gz JDDGBMSAIQDRTO-NSHDSACASA-N 0 1 267.800 3.976 20 10 CHCDMN Cc1cc(C[N@H+](C)Cc2ccccc2O)cc(C)c1F ZINC001143381711 1118516442 /nfs/dbraw/zinc/51/64/42/1118516442.db2.gz LNEZDFZIDHACAZ-UHFFFAOYSA-N 0 1 273.351 3.780 20 10 CHCDMN C[C@@H]1CCC[C@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706847063 1118552906 /nfs/dbraw/zinc/55/29/06/1118552906.db2.gz VFDUJDUGCHTQQM-MNOVXSKESA-N 0 1 298.224 3.681 20 10 CHCDMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000092326523 1118583138 /nfs/dbraw/zinc/58/31/38/1118583138.db2.gz BSWCWBDLNCUZCB-NWDGAFQWSA-N 0 1 287.407 3.769 20 10 CHCDMN CC(C)[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707152890 1118651261 /nfs/dbraw/zinc/65/12/61/1118651261.db2.gz QTVQNQMVRDTYLH-CYBMUJFWSA-N 0 1 298.224 3.775 20 10 CHCDMN CC(C)[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707152890 1118651262 /nfs/dbraw/zinc/65/12/62/1118651262.db2.gz QTVQNQMVRDTYLH-CYBMUJFWSA-N 0 1 298.224 3.775 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001140461940 1118720535 /nfs/dbraw/zinc/72/05/35/1118720535.db2.gz ZKRCTTXQIJYXMN-GFCCVEGCSA-N 0 1 293.716 3.615 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001140461940 1118720537 /nfs/dbraw/zinc/72/05/37/1118720537.db2.gz ZKRCTTXQIJYXMN-GFCCVEGCSA-N 0 1 293.716 3.615 20 10 CHCDMN C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc(Cl)cc1[O-] ZINC001140464851 1118737951 /nfs/dbraw/zinc/73/79/51/1118737951.db2.gz CLXXFSCBWZQUGK-UHFFFAOYSA-N 0 1 297.185 3.726 20 10 CHCDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(Cl)cc1[O-] ZINC001140464851 1118737955 /nfs/dbraw/zinc/73/79/55/1118737955.db2.gz CLXXFSCBWZQUGK-UHFFFAOYSA-N 0 1 297.185 3.726 20 10 CHCDMN CCC(CC)[N@@H+](CC)Cc1c([O-])cc(F)cc1F ZINC001140584596 1119160809 /nfs/dbraw/zinc/16/08/09/1119160809.db2.gz YDILPTKVSPIYBL-UHFFFAOYSA-N 0 1 257.324 3.681 20 10 CHCDMN CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584026 1119212836 /nfs/dbraw/zinc/21/28/36/1119212836.db2.gz DIAJHERTUMQGHO-BXUZGUMPSA-N 0 1 251.345 3.590 20 10 CHCDMN CSC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168786770 1119477879 /nfs/dbraw/zinc/47/78/79/1119477879.db2.gz NRIBYLOGNHYPPK-NWDGAFQWSA-N 0 1 275.417 3.948 20 10 CHCDMN CN(Cc1ccccc1O)Cc1ccc(Cl)cc1F ZINC000179571230 1119751794 /nfs/dbraw/zinc/75/17/94/1119751794.db2.gz GBIKCSGGXFZCBK-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000756379507 1120283198 /nfs/dbraw/zinc/28/31/98/1120283198.db2.gz OFPDAJWYSZWWIE-WDEREUQCSA-N 0 1 279.767 3.920 20 10 CHCDMN CCOc1cccc(C[N@H+]2CCCC[C@H]2C(C)C)c1O ZINC000395873720 1120302725 /nfs/dbraw/zinc/30/27/25/1120302725.db2.gz ZUTNQXIIZLDZEO-HNNXBMFYSA-N 0 1 277.408 3.801 20 10 CHCDMN COc1ccc(O)c([C@H](C)NCc2c(F)cccc2F)c1 ZINC000182803020 1120329464 /nfs/dbraw/zinc/32/94/64/1120329464.db2.gz OCHOZNTWHRZHEE-JTQLQIEISA-N 0 1 293.313 3.530 20 10 CHCDMN CCCC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000312605944 1120493014 /nfs/dbraw/zinc/49/30/14/1120493014.db2.gz FITBRCDPWNZKAY-LLVKDONJSA-N 0 1 281.371 3.744 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000191666181 1120525628 /nfs/dbraw/zinc/52/56/28/1120525628.db2.gz NVIOGKCEZQTWRY-ZDUSSCGKSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000191666181 1120525632 /nfs/dbraw/zinc/52/56/32/1120525632.db2.gz NVIOGKCEZQTWRY-ZDUSSCGKSA-N 0 1 287.428 3.873 20 10 CHCDMN CCCO[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000124030991 1120640559 /nfs/dbraw/zinc/64/05/59/1120640559.db2.gz XRFCITUFCYQUGQ-CYBMUJFWSA-N 0 1 297.826 3.827 20 10 CHCDMN CCCO[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000124030991 1120640563 /nfs/dbraw/zinc/64/05/63/1120640563.db2.gz XRFCITUFCYQUGQ-CYBMUJFWSA-N 0 1 297.826 3.827 20 10 CHCDMN CCCO[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000124030991 1120640565 /nfs/dbraw/zinc/64/05/65/1120640565.db2.gz XRFCITUFCYQUGQ-CYBMUJFWSA-N 0 1 297.826 3.827 20 10 CHCDMN CCCCN(Cc1ncc(C)s1)Cc1ccccc1O ZINC000282463694 1120690949 /nfs/dbraw/zinc/69/09/49/1120690949.db2.gz NCWLCDXRRFCCIH-UHFFFAOYSA-N 0 1 290.432 3.959 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000185538691 1120912147 /nfs/dbraw/zinc/91/21/47/1120912147.db2.gz GLQRBBFBPZODTN-DZKIICNBSA-N 0 1 299.414 3.747 20 10 CHCDMN CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000766088348 1121207427 /nfs/dbraw/zinc/20/74/27/1121207427.db2.gz HUXADWRRIIUVRI-LSDHHAIUSA-N 0 1 297.826 3.727 20 10 CHCDMN CCc1ccccc1NCc1ccc(F)c(F)c1O ZINC000703295864 1121245050 /nfs/dbraw/zinc/24/50/50/1121245050.db2.gz OKSATOIETBMBIO-UHFFFAOYSA-N 0 1 263.287 3.845 20 10 CHCDMN CCc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000703307085 1121246809 /nfs/dbraw/zinc/24/68/09/1121246809.db2.gz FSQXENXOVBLWHS-UHFFFAOYSA-N 0 1 263.287 3.845 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001237123805 1128981822 /nfs/dbraw/zinc/98/18/22/1128981822.db2.gz LGCPLBWEMYMJSA-WDEREUQCSA-N 0 1 283.774 3.807 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001237123805 1128981825 /nfs/dbraw/zinc/98/18/25/1128981825.db2.gz LGCPLBWEMYMJSA-WDEREUQCSA-N 0 1 283.774 3.807 20 10 CHCDMN CCc1ccc(C[N@@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137838745 1121420636 /nfs/dbraw/zinc/42/06/36/1121420636.db2.gz JOGWGJFQDFDHKU-UHFFFAOYSA-N 0 1 273.351 3.726 20 10 CHCDMN COc1ccccc1[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1F ZINC001137839039 1121425470 /nfs/dbraw/zinc/42/54/70/1121425470.db2.gz OXUIMAJXSXJMCK-GFCCVEGCSA-N 0 1 289.350 3.733 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000706681796 1121434311 /nfs/dbraw/zinc/43/43/11/1121434311.db2.gz XXZJRXPUMCPULN-HNNXBMFYSA-N 0 1 293.794 3.623 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000706681796 1121434314 /nfs/dbraw/zinc/43/43/14/1121434314.db2.gz XXZJRXPUMCPULN-HNNXBMFYSA-N 0 1 293.794 3.623 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CC2(C)C)c(Cl)c1 ZINC001179468540 1121880941 /nfs/dbraw/zinc/88/09/41/1121880941.db2.gz GSUDJLAFDCCUON-HNNXBMFYSA-N 0 1 267.800 3.880 20 10 CHCDMN CC[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001180080804 1121947808 /nfs/dbraw/zinc/94/78/08/1121947808.db2.gz GHGJQUPIQDWOEN-HNNXBMFYSA-N 0 1 267.800 3.976 20 10 CHCDMN CC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001180080804 1121947818 /nfs/dbraw/zinc/94/78/18/1121947818.db2.gz GHGJQUPIQDWOEN-HNNXBMFYSA-N 0 1 267.800 3.976 20 10 CHCDMN Cc1cccc2c1CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC001180189175 1121961075 /nfs/dbraw/zinc/96/10/75/1121961075.db2.gz NVRRTFJOIMYQDS-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN COCCCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613414 1122001573 /nfs/dbraw/zinc/00/15/73/1122001573.db2.gz SRVUCYOBXHXPNN-UHFFFAOYSA-N 0 1 291.435 3.954 20 10 CHCDMN COCCCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613414 1122001578 /nfs/dbraw/zinc/00/15/78/1122001578.db2.gz SRVUCYOBXHXPNN-UHFFFAOYSA-N 0 1 291.435 3.954 20 10 CHCDMN CC(C)N(Cc1cc(Cl)c(F)cc1O)CC(F)F ZINC000816521582 1122027103 /nfs/dbraw/zinc/02/71/03/1122027103.db2.gz TXVNKJTVODBHGK-UHFFFAOYSA-N 0 1 281.705 3.660 20 10 CHCDMN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181543953 1122061195 /nfs/dbraw/zinc/06/11/95/1122061195.db2.gz IYRNOBWGQURMGT-MFKMUULPSA-N 0 1 253.773 3.809 20 10 CHCDMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181543953 1122061203 /nfs/dbraw/zinc/06/12/03/1122061203.db2.gz IYRNOBWGQURMGT-MFKMUULPSA-N 0 1 253.773 3.809 20 10 CHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001182742777 1122187396 /nfs/dbraw/zinc/18/73/96/1122187396.db2.gz JIYQPRRUDFSFDC-ZWNOBZJWSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cc(Br)ccc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001182742777 1122187399 /nfs/dbraw/zinc/18/73/99/1122187399.db2.gz JIYQPRRUDFSFDC-ZWNOBZJWSA-N 0 1 296.208 3.529 20 10 CHCDMN CO[C@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C1CCCCC1 ZINC001183084111 1122203045 /nfs/dbraw/zinc/20/30/45/1122203045.db2.gz KGCCBSPWNREIKO-MRXNPFEDSA-N 0 1 297.826 3.731 20 10 CHCDMN CO[C@@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C1CCCCC1 ZINC001183084110 1122203384 /nfs/dbraw/zinc/20/33/84/1122203384.db2.gz KGCCBSPWNREIKO-INIZCTEOSA-N 0 1 297.826 3.731 20 10 CHCDMN C=C/C=C\CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC001183581310 1122230818 /nfs/dbraw/zinc/23/08/18/1122230818.db2.gz FUMXXTFCIKSEDD-ARJAWSKDSA-N 0 1 253.345 3.767 20 10 CHCDMN C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cc(Cl)ccc1[O-] ZINC000273580757 1122240328 /nfs/dbraw/zinc/24/03/28/1122240328.db2.gz MRCXBWVCVDSSLZ-GFCCVEGCSA-N 0 1 297.826 3.639 20 10 CHCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000135649795 1122431986 /nfs/dbraw/zinc/43/19/86/1122431986.db2.gz YZDPHZJKEMCFHZ-SECBINFHSA-N 0 1 274.191 3.931 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1cc(Cl)ccc1[O-] ZINC000775482814 1122615099 /nfs/dbraw/zinc/61/50/99/1122615099.db2.gz CCIOFTJAYDIHGF-UKRRQHHQSA-N 0 1 296.842 3.571 20 10 CHCDMN CC[C@H]([NH2+]CCc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775483238 1122615529 /nfs/dbraw/zinc/61/55/29/1122615529.db2.gz QENWCZDFISZNBN-AWEZNQCLSA-N 0 1 279.767 3.922 20 10 CHCDMN CC[C@H]([NH2+]Cc1ccc(C)nc1)c1cc(Cl)ccc1[O-] ZINC000775487603 1122618603 /nfs/dbraw/zinc/61/86/03/1122618603.db2.gz LLMZOMKGQWCUTG-HNNXBMFYSA-N 0 1 290.794 3.990 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)CN(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775498051 1122626759 /nfs/dbraw/zinc/62/67/59/1122626759.db2.gz GNGOBCVSVMHQGO-DOMZBBRYSA-N 0 1 298.858 3.817 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775507884 1122632264 /nfs/dbraw/zinc/63/22/64/1122632264.db2.gz OVXBOKSZZZUDPO-TZMCWYRMSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775512059 1122633405 /nfs/dbraw/zinc/63/34/05/1122633405.db2.gz JVUDSRXNTLBBPB-HIFRSBDPSA-N 0 1 285.815 3.757 20 10 CHCDMN CC[C@H]([NH2+][C@@H](COC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775524604 1122642961 /nfs/dbraw/zinc/64/29/61/1122642961.db2.gz SUMNAYVHOBBEDA-KBPBESRZSA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1cc(Cl)ccc1[O-] ZINC000775532436 1122649319 /nfs/dbraw/zinc/64/93/19/1122649319.db2.gz UNORKLWZGXVEEG-WPGHFRTFSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1cc(Cl)ccc1[O-] ZINC000775532434 1122649861 /nfs/dbraw/zinc/64/98/61/1122649861.db2.gz UNORKLWZGXVEEG-HZUKXOBISA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@H]([NH2+]CCOCC1CCC1)c1cc(Cl)ccc1[O-] ZINC000775556281 1122660958 /nfs/dbraw/zinc/66/09/58/1122660958.db2.gz VYMUGXBTIWKAGS-HNNXBMFYSA-N 0 1 297.826 3.903 20 10 CHCDMN CC[C@@H]([NH2+]CC1(CO)CCCC1)c1cc(Cl)ccc1[O-] ZINC000775554113 1122663248 /nfs/dbraw/zinc/66/32/48/1122663248.db2.gz HLGMFGPAIBZDSK-CQSZACIVSA-N 0 1 297.826 3.639 20 10 CHCDMN CC(C)CCC[C@H](C)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626216 1122702554 /nfs/dbraw/zinc/70/25/54/1122702554.db2.gz SJPIJDMAYORQQJ-JTQLQIEISA-N 0 1 299.798 3.696 20 10 CHCDMN CCC[C@@H](C)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000775642082 1122850281 /nfs/dbraw/zinc/85/02/81/1122850281.db2.gz AIWCGKFZDZKXTQ-NVXWUHKLSA-N 0 1 291.435 3.809 20 10 CHCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775652827 1122868826 /nfs/dbraw/zinc/86/88/26/1122868826.db2.gz VRMIRNDULKUMKI-ZDUSSCGKSA-N 0 1 271.763 3.805 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000775662944 1122873843 /nfs/dbraw/zinc/87/38/43/1122873843.db2.gz XASOPRPBILTNHY-IINYFYTJSA-N 0 1 283.774 3.949 20 10 CHCDMN CN(C)c1ccc(/C=C/CN2CC(CC(F)(F)F)C2)cc1 ZINC000839137307 1122996594 /nfs/dbraw/zinc/99/65/94/1122996594.db2.gz DQFHAOSEMDHYDF-ONEGZZNKSA-N 0 1 298.352 3.650 20 10 CHCDMN C[C@@H](c1ccccc1)N(CCF)Cc1ccccc1O ZINC000776004733 1123034546 /nfs/dbraw/zinc/03/45/46/1123034546.db2.gz WSZIBTXKOVQSTH-AWEZNQCLSA-N 0 1 273.351 3.925 20 10 CHCDMN CC[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000760041796 1123181885 /nfs/dbraw/zinc/18/18/85/1123181885.db2.gz ZZDFRSPKGLPCFM-NSHDSACASA-N 0 1 275.726 3.884 20 10 CHCDMN CSCC1(CC[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000850355326 1123255514 /nfs/dbraw/zinc/25/55/14/1123255514.db2.gz DVABOMIWIKKAST-UHFFFAOYSA-N 0 1 285.840 3.669 20 10 CHCDMN CC[C@@H]([NH2+]CCC1CC(OC)C1)c1cc(Cl)ccc1[O-] ZINC000850482386 1123273129 /nfs/dbraw/zinc/27/31/29/1123273129.db2.gz OXPIHVAWFZKFEX-ABIUDSBCSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850492252 1123274227 /nfs/dbraw/zinc/27/42/27/1123274227.db2.gz CFCMKAQSEYPUDQ-FZMZJTMJSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000850495266 1123275328 /nfs/dbraw/zinc/27/53/28/1123275328.db2.gz ZFHCHTHGKRBXLY-RISCZKNCSA-N 0 1 297.826 3.901 20 10 CHCDMN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850537324 1123288127 /nfs/dbraw/zinc/28/81/27/1123288127.db2.gz TUQDCHFCEXEFOX-PELKAZGASA-N 0 1 275.726 3.742 20 10 CHCDMN C[C@@H]([NH2+]CC1=CCCC1)c1cc(Cl)ccc1[O-] ZINC000850556809 1123291068 /nfs/dbraw/zinc/29/10/68/1123291068.db2.gz JPUFEEZWYOVTSA-SNVBAGLBSA-N 0 1 251.757 3.807 20 10 CHCDMN C[C@@H](c1ccc(F)cc1F)N(C)Cc1ccccc1O ZINC000109773820 1123326416 /nfs/dbraw/zinc/32/64/16/1123326416.db2.gz DEQVJTDEPKFVFL-NSHDSACASA-N 0 1 277.314 3.863 20 10 CHCDMN CC[C@H]([NH2+]Cc1ccnn1CC)c1cc(Cl)ccc1[O-] ZINC000853241031 1123429134 /nfs/dbraw/zinc/42/91/34/1123429134.db2.gz SAHHDYCYONJCHX-AWEZNQCLSA-N 0 1 293.798 3.503 20 10 CHCDMN C[C@@H]([NH2+]CCc1cscn1)c1ccc2ccccc2c1[O-] ZINC000111627226 1123457224 /nfs/dbraw/zinc/45/72/24/1123457224.db2.gz NXLNIAOONSGBKY-GFCCVEGCSA-N 0 1 298.411 3.895 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc2ccccc21 ZINC000895848595 1123521640 /nfs/dbraw/zinc/52/16/40/1123521640.db2.gz SEKLUKUBRXQVRZ-MAUKXSAKSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc2ccccc21 ZINC000895848595 1123521643 /nfs/dbraw/zinc/52/16/43/1123521643.db2.gz SEKLUKUBRXQVRZ-MAUKXSAKSA-N 0 1 297.398 3.546 20 10 CHCDMN Cc1ccc(O)c(CNCc2cc(-c3ccccc3)on2)c1 ZINC000113332527 1123521825 /nfs/dbraw/zinc/52/18/25/1123521825.db2.gz SXDJROUZACVLJS-UHFFFAOYSA-N 0 1 294.354 3.645 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856806203 1123569523 /nfs/dbraw/zinc/56/95/23/1123569523.db2.gz BVKGEJAGYLSBCY-SECBINFHSA-N 0 1 294.609 3.719 20 10 CHCDMN [O-]c1c(C[NH+]2CC(CC3CC3)C2)ccc2ccccc21 ZINC000857066011 1123584171 /nfs/dbraw/zinc/58/41/71/1123584171.db2.gz CUEVBTTTWCZRNO-UHFFFAOYSA-N 0 1 267.372 3.777 20 10 CHCDMN Cc1ccsc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858108514 1123632044 /nfs/dbraw/zinc/63/20/44/1123632044.db2.gz HNQCRVDQSOJRIN-UHFFFAOYSA-N 0 1 296.386 3.691 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1cc(Cl)ccc1[O-] ZINC000858592598 1123665794 /nfs/dbraw/zinc/66/57/94/1123665794.db2.gz GUADRYDTXROLDW-SUHUHFCYSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@H](C[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000116879169 1123704158 /nfs/dbraw/zinc/70/41/58/1123704158.db2.gz ZFWSULUOMRJSAM-CQSZACIVSA-N 0 1 255.361 3.628 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC12CCCC2 ZINC000862400797 1123807286 /nfs/dbraw/zinc/80/72/86/1123807286.db2.gz DBNIDRHDHASZIY-UHFFFAOYSA-N 0 1 296.208 3.673 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC12CCCC2 ZINC000862400797 1123807292 /nfs/dbraw/zinc/80/72/92/1123807292.db2.gz DBNIDRHDHASZIY-UHFFFAOYSA-N 0 1 296.208 3.673 20 10 CHCDMN Oc1c(CNc2cccc3ncccc32)ccc(F)c1F ZINC000864026118 1123910727 /nfs/dbraw/zinc/91/07/27/1123910727.db2.gz QXFPKRHTGJIYPO-UHFFFAOYSA-N 0 1 286.281 3.831 20 10 CHCDMN Oc1c(CNc2ccc3c(c2)CCCO3)ccc(F)c1F ZINC000864028243 1123912040 /nfs/dbraw/zinc/91/20/40/1123912040.db2.gz SANYRTBMGGDTJZ-UHFFFAOYSA-N 0 1 291.297 3.608 20 10 CHCDMN C[C@@H]1CC([NH2+]Cc2cc(Cl)ccc2[O-])C[C@@H](C)C1 ZINC000084461686 1129153508 /nfs/dbraw/zinc/15/35/08/1129153508.db2.gz MXSNKLTUFNPRAN-QWRGUYRKSA-N 0 1 267.800 3.960 20 10 CHCDMN CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000794836580 1123971310 /nfs/dbraw/zinc/97/13/10/1123971310.db2.gz UIOBUFADZFQZSH-DZGCQCFKSA-N 0 1 297.826 3.637 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(Cl)cc1[O-] ZINC000872108968 1124684812 /nfs/dbraw/zinc/68/48/12/1124684812.db2.gz ZORNIJYGFAYDPJ-DZJQYVJYSA-N 0 1 295.810 3.654 20 10 CHCDMN CCCOc1ccc(CNCc2cccc(F)n2)cc1C ZINC000873092959 1124738889 /nfs/dbraw/zinc/73/88/89/1124738889.db2.gz LOGKTUGNHIEGTP-UHFFFAOYSA-N 0 1 288.366 3.608 20 10 CHCDMN CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825748475 1124854032 /nfs/dbraw/zinc/85/40/32/1124854032.db2.gz CDYHTHQGDISBDB-INIZCTEOSA-N 0 1 297.826 3.745 20 10 CHCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825748475 1124854042 /nfs/dbraw/zinc/85/40/42/1124854042.db2.gz CDYHTHQGDISBDB-INIZCTEOSA-N 0 1 297.826 3.745 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1Cl ZINC000825752537 1124866075 /nfs/dbraw/zinc/86/60/75/1124866075.db2.gz CHODJAPBXIZWFB-JTQLQIEISA-N 0 1 289.753 3.879 20 10 CHCDMN C[C@@H](CCc1cccnc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877612700 1125053775 /nfs/dbraw/zinc/05/37/75/1125053775.db2.gz MJXXRYKDPPKSEG-LBPRGKRZSA-N 0 1 290.794 3.552 20 10 CHCDMN Cc1ncc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000877685233 1125063015 /nfs/dbraw/zinc/06/30/15/1125063015.db2.gz QMHPUXZYPVBZHT-SECBINFHSA-N 0 1 296.823 3.970 20 10 CHCDMN Cc1cc(C)c(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000826099685 1125201692 /nfs/dbraw/zinc/20/16/92/1125201692.db2.gz GBSMTXLCBQIXBI-UHFFFAOYSA-N 0 1 290.794 3.656 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C(C)(C)COC(C)C)cc1Cl ZINC000826124057 1125232793 /nfs/dbraw/zinc/23/27/93/1125232793.db2.gz ZPJNXWYTJZSANK-UHFFFAOYSA-N 0 1 285.815 3.647 20 10 CHCDMN C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000131805586 1125410678 /nfs/dbraw/zinc/41/06/78/1125410678.db2.gz BOROYMXAMWCWCW-GHMZBOCLSA-N 0 1 253.773 3.524 20 10 CHCDMN CCOc1cccc(C[N@H+]2CCC[C@H]2C2CCCC2)c1O ZINC000132830878 1125423961 /nfs/dbraw/zinc/42/39/61/1125423961.db2.gz VLXBQQRRTRPULO-INIZCTEOSA-N 0 1 289.419 3.946 20 10 CHCDMN COc1cccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000037771076 1129267760 /nfs/dbraw/zinc/26/77/60/1129267760.db2.gz IMKXWWBTSGCJAD-NSHDSACASA-N 0 1 291.778 3.905 20 10 CHCDMN COc1ccc(CN[C@@H](C)c2cnc(C)s2)cc1C ZINC000090407129 1129287709 /nfs/dbraw/zinc/28/77/09/1129287709.db2.gz CPQLLPZGLDYGTJ-NSHDSACASA-N 0 1 276.405 3.619 20 10 CHCDMN CC[N@H+](Cc1c([O-])ccc2ccccc21)C1CCC1 ZINC000738056807 1129389775 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CC(=O)c1cc(Cl)cc(C[N@H+]2CCC3(CCC3)C2)c1[O-] ZINC000380388637 1129831613 /nfs/dbraw/zinc/83/16/13/1129831613.db2.gz XUPXJEJOZZZFEM-UHFFFAOYSA-N 0 1 293.794 3.624 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)[C@H]1C ZINC000380743039 1129832075 /nfs/dbraw/zinc/83/20/75/1129832075.db2.gz ULFUALDIZOPRGY-OLZOCXBDSA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)[C@H]1C ZINC000380743039 1129832077 /nfs/dbraw/zinc/83/20/77/1129832077.db2.gz ULFUALDIZOPRGY-OLZOCXBDSA-N 0 1 255.361 3.776 20 10 CHCDMN Cc1ccccc1C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000768160002 1129837931 /nfs/dbraw/zinc/83/79/31/1129837931.db2.gz KFFHOUXLSGWMAR-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1ccccc1C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000768160002 1129837933 /nfs/dbraw/zinc/83/79/33/1129837933.db2.gz KFFHOUXLSGWMAR-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN CCN(CC)c1ccc(CN(C)Cc2ccco2)cc1F ZINC000768183214 1129840139 /nfs/dbraw/zinc/84/01/39/1129840139.db2.gz BAFVRABCORBKKI-UHFFFAOYSA-N 0 1 290.382 3.897 20 10 CHCDMN Cc1ccoc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768256295 1129847460 /nfs/dbraw/zinc/84/74/60/1129847460.db2.gz BBZBPKCNSYYHTH-UHFFFAOYSA-N 0 1 284.403 3.819 20 10 CHCDMN CCc1cccc(CN[C@@H](C)c2ncc(C)s2)c1O ZINC000691446357 1129850151 /nfs/dbraw/zinc/85/01/51/1129850151.db2.gz NRJIVNBXDLXVSA-NSHDSACASA-N 0 1 276.405 3.570 20 10 CHCDMN Cc1cc([C@H]2CCCN2Cc2c(O)cccc2Cl)on1 ZINC000768876994 1129879842 /nfs/dbraw/zinc/87/98/42/1129879842.db2.gz FMFGYKPGUCMBPD-CYBMUJFWSA-N 0 1 292.766 3.679 20 10 CHCDMN Cc1cc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)on1 ZINC000768876994 1129879848 /nfs/dbraw/zinc/87/98/48/1129879848.db2.gz FMFGYKPGUCMBPD-CYBMUJFWSA-N 0 1 292.766 3.679 20 10 CHCDMN Cc1cc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)on1 ZINC000768876994 1129879854 /nfs/dbraw/zinc/87/98/54/1129879854.db2.gz FMFGYKPGUCMBPD-CYBMUJFWSA-N 0 1 292.766 3.679 20 10 CHCDMN CCC[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCCO1 ZINC000769337642 1129903925 /nfs/dbraw/zinc/90/39/25/1129903925.db2.gz GQRUTMXOBIZAST-CYBMUJFWSA-N 0 1 297.826 3.827 20 10 CHCDMN CCC[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCCO1 ZINC000769337642 1129903926 /nfs/dbraw/zinc/90/39/26/1129903926.db2.gz GQRUTMXOBIZAST-CYBMUJFWSA-N 0 1 297.826 3.827 20 10 CHCDMN CCCC[N@@H+](Cc1ccc(F)nc1)Cc1ccccc1O ZINC000802657601 1130026376 /nfs/dbraw/zinc/02/63/76/1130026376.db2.gz KDFGRQBMKUWGCH-UHFFFAOYSA-N 0 1 288.366 3.729 20 10 CHCDMN Cc1ncccc1CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000903416137 1130173665 /nfs/dbraw/zinc/17/36/65/1130173665.db2.gz QCRCPMLIUVMGJT-GFCCVEGCSA-N 0 1 290.794 3.642 20 10 CHCDMN C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])O1 ZINC000827251702 1130529578 /nfs/dbraw/zinc/52/95/78/1130529578.db2.gz LGFNZJHJDUMGJS-CJNGLKHVSA-N 0 1 285.387 3.593 20 10 CHCDMN COc1ccc2ccc(O)c(C[N@H+]3CC4CCC3CC4)c2c1 ZINC001234552990 1130656516 /nfs/dbraw/zinc/65/65/16/1130656516.db2.gz RVBZLCKLDRPPSB-UHFFFAOYSA-N 0 1 297.398 3.928 20 10 CHCDMN CCCOC1CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996206 1130701080 /nfs/dbraw/zinc/70/10/80/1130701080.db2.gz WJRIKFKQOSFDMN-UHFFFAOYSA-N 0 1 297.398 3.670 20 10 CHCDMN Cc1cccc(CNc2cc3c(cn2)CCCC3)c1O ZINC000812781834 1130713800 /nfs/dbraw/zinc/71/38/00/1130713800.db2.gz IHJBAUBDQHGNMR-UHFFFAOYSA-N 0 1 268.360 3.587 20 10 CHCDMN C[C@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000813169648 1130741213 /nfs/dbraw/zinc/74/12/13/1130741213.db2.gz QLUZLDWALBZKDS-LBPRGKRZSA-N 0 1 297.354 3.512 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000783308222 1130815537 /nfs/dbraw/zinc/81/55/37/1130815537.db2.gz CJLLIKCIHGSVOR-CKYFFXLPSA-N 0 1 253.773 3.885 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(C2CC2)CC1 ZINC000814172480 1130833054 /nfs/dbraw/zinc/83/30/54/1130833054.db2.gz PCYIGCCBIDHZPG-UHFFFAOYSA-N 0 1 265.784 3.668 20 10 CHCDMN Nc1ccc(CN2CCC[C@@H]2c2c(F)cccc2F)cc1 ZINC001236189768 1130882571 /nfs/dbraw/zinc/88/25/71/1130882571.db2.gz MXYUZAXXLGVBGS-MRXNPFEDSA-N 0 1 288.341 3.884 20 10 CHCDMN CCCC[N@@H+](CCC1CCOCC1)Cc1ccccc1O ZINC000814635625 1130891378 /nfs/dbraw/zinc/89/13/78/1130891378.db2.gz HOXKASRXHWKGKO-UHFFFAOYSA-N 0 1 291.435 3.811 20 10 CHCDMN CCCC[N@H+](CCC1CCOCC1)Cc1ccccc1[O-] ZINC000814635625 1130891380 /nfs/dbraw/zinc/89/13/80/1130891380.db2.gz HOXKASRXHWKGKO-UHFFFAOYSA-N 0 1 291.435 3.811 20 10 CHCDMN CCCC[N@@H+](CCC1CCOCC1)Cc1ccccc1[O-] ZINC000814635625 1130891383 /nfs/dbraw/zinc/89/13/83/1130891383.db2.gz HOXKASRXHWKGKO-UHFFFAOYSA-N 0 1 291.435 3.811 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H]2CC=CCC2)c1[O-] ZINC000784391291 1130902718 /nfs/dbraw/zinc/90/27/18/1130902718.db2.gz KCYLEAQLWUJHKJ-CYBMUJFWSA-N 0 1 291.366 3.522 20 10 CHCDMN CC[C@H](NCc1ccc(N(C)C)c(C)c1)c1nccs1 ZINC000815088160 1130956946 /nfs/dbraw/zinc/95/69/46/1130956946.db2.gz AEJLNHXDFQACFW-AWEZNQCLSA-N 0 1 289.448 3.758 20 10 CHCDMN CCN(C)c1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000815116431 1130958378 /nfs/dbraw/zinc/95/83/78/1130958378.db2.gz MUSASQHUCVRZSH-GOSISDBHSA-N 0 1 298.434 3.593 20 10 CHCDMN CCc1ccc(CN(C)Cc2ccccc2F)c(O)c1 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CN(C)c1ccc(/C=C\CN2CC(CC(F)(F)F)C2)cc1 ZINC000839137306 1132182849 /nfs/dbraw/zinc/18/28/49/1132182849.db2.gz DQFHAOSEMDHYDF-ARJAWSKDSA-N 0 1 298.352 3.650 20 10 CHCDMN COc1cccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840877023 1132300181 /nfs/dbraw/zinc/30/01/81/1132300181.db2.gz RVRNJPGILVBIOI-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN CCn1ccnc1NCc1ccc(N2CCCCC2)cc1 ZINC000840887016 1132304849 /nfs/dbraw/zinc/30/48/49/1132304849.db2.gz RXBDPIFYNRKHLP-UHFFFAOYSA-N 0 1 284.407 3.505 20 10 CHCDMN Cc1cc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2C)no1 ZINC000840910512 1132307546 /nfs/dbraw/zinc/30/75/46/1132307546.db2.gz ONERFAMQHXNKKQ-SFHVURJKSA-N 0 1 299.418 3.695 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)c2ccncc2)c(Cl)c1 ZINC000840903520 1132307656 /nfs/dbraw/zinc/30/76/56/1132307656.db2.gz ONISRWLYVGVCLA-LBPRGKRZSA-N 0 1 290.794 3.642 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC000840908857 1132307759 /nfs/dbraw/zinc/30/77/59/1132307759.db2.gz YLZDAPYLVGZNDS-BLLLJJGKSA-N 0 1 297.826 3.647 20 10 CHCDMN Cc1cc(N(C)C)ccc1CN1CC=C(C(F)(F)F)CC1 ZINC000840918273 1132310402 /nfs/dbraw/zinc/31/04/02/1132310402.db2.gz YXSDEOGFMUGRCJ-UHFFFAOYSA-N 0 1 298.352 3.755 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c(Cl)c1 ZINC000840953814 1132314184 /nfs/dbraw/zinc/31/41/84/1132314184.db2.gz ZPDXVCMNYQCWOQ-GFCCVEGCSA-N 0 1 297.826 3.649 20 10 CHCDMN CO[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001172922627 1132362702 /nfs/dbraw/zinc/36/27/02/1132362702.db2.gz IYRVPKZMEBZPGQ-SJORKVTESA-N 0 1 285.387 3.593 20 10 CHCDMN Cc1cc(C)c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC001231846861 1132379015 /nfs/dbraw/zinc/37/90/15/1132379015.db2.gz RHJITDDVCYEMOU-IBGZPJMESA-N 0 1 297.398 3.583 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)C[C@H]2C)cc1Cl ZINC001231870791 1132383737 /nfs/dbraw/zinc/38/37/37/1132383737.db2.gz UFQOUVPCTDFWLR-CMPLNLGQSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)C[C@H]2C)cc1Cl ZINC001231870791 1132383743 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C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000841749898 1132389454 /nfs/dbraw/zinc/38/94/54/1132389454.db2.gz JMPCZQXMDCFORQ-SCZZXKLOSA-N 0 1 275.726 3.884 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)ccc2ccccc21 ZINC001231882735 1132390154 /nfs/dbraw/zinc/39/01/54/1132390154.db2.gz UAOZWPWEFVDEHQ-CYBMUJFWSA-N 0 1 295.304 3.930 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)ccc2ccccc21 ZINC001231882735 1132390162 /nfs/dbraw/zinc/39/01/62/1132390162.db2.gz UAOZWPWEFVDEHQ-CYBMUJFWSA-N 0 1 295.304 3.930 20 10 CHCDMN CO[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC001231884009 1132390822 /nfs/dbraw/zinc/39/08/22/1132390822.db2.gz UGSCSKHXFNDNBV-BBRMVZONSA-N 0 1 285.387 3.545 20 10 CHCDMN CO[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC001231884009 1132390830 /nfs/dbraw/zinc/39/08/30/1132390830.db2.gz UGSCSKHXFNDNBV-BBRMVZONSA-N 0 1 285.387 3.545 20 10 CHCDMN CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841755523 1132392630 /nfs/dbraw/zinc/39/26/30/1132392630.db2.gz IHNDGUOIAAIRLV-MNOVXSKESA-N 0 1 293.798 3.674 20 10 CHCDMN CO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)(C)C ZINC000841756180 1132393107 /nfs/dbraw/zinc/39/31/07/1132393107.db2.gz USXCGUDSGUMFEM-YGRLFVJLSA-N 0 1 285.815 3.757 20 10 CHCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(Cl)cc1[O-] ZINC000841759244 1132393213 /nfs/dbraw/zinc/39/32/13/1132393213.db2.gz XSDTWPFEIRBTOC-NRUUGDAUSA-N 0 1 291.782 3.599 20 10 CHCDMN COC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCCC1 ZINC000841758051 1132394214 /nfs/dbraw/zinc/39/42/14/1132394214.db2.gz RNPGBWZELBAAAU-LLVKDONJSA-N 0 1 283.799 3.655 20 10 CHCDMN CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841759275 1132395234 /nfs/dbraw/zinc/39/52/34/1132395234.db2.gz XZILBEABJUFLTG-VIFPVBQESA-N 0 1 294.782 3.755 20 10 CHCDMN Oc1c(Cl)cccc1CN1Cc2cnc(Cl)cc2C1 ZINC001231913190 1132398114 /nfs/dbraw/zinc/39/81/14/1132398114.db2.gz HKWFRQXBRHXFHJ-UHFFFAOYSA-N 0 1 295.169 3.610 20 10 CHCDMN CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC001173269553 1132433767 /nfs/dbraw/zinc/43/37/67/1132433767.db2.gz XHPKJESXGIZMAX-MFKMUULPSA-N 0 1 298.224 3.823 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2cc(Cl)c([O-])cc2O)C[C@H]1C ZINC001232258633 1132445175 /nfs/dbraw/zinc/44/51/75/1132445175.db2.gz BNRWHEIZFDZROZ-GHMZBOCLSA-N 0 1 283.799 3.619 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])cc2O)C[C@H]1C ZINC001232258633 1132445179 /nfs/dbraw/zinc/44/51/79/1132445179.db2.gz BNRWHEIZFDZROZ-GHMZBOCLSA-N 0 1 283.799 3.619 20 10 CHCDMN COc1cc([O-])c(C[N@H+](C)Cc2cccs2)cc1Cl ZINC001232264308 1132445475 /nfs/dbraw/zinc/44/54/75/1132445475.db2.gz HTTYRXIJEHJTHN-UHFFFAOYSA-N 0 1 297.807 3.748 20 10 CHCDMN COc1cc([O-])c(C[N@@H+](C)Cc2cccs2)cc1Cl ZINC001232264308 1132445479 /nfs/dbraw/zinc/44/54/79/1132445479.db2.gz HTTYRXIJEHJTHN-UHFFFAOYSA-N 0 1 297.807 3.748 20 10 CHCDMN CCCCC[N@H+](C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232264994 1132447396 /nfs/dbraw/zinc/44/73/96/1132447396.db2.gz MVWCTQWNJSSHLG-UHFFFAOYSA-N 0 1 271.788 3.676 20 10 CHCDMN CCCCC[N@@H+](C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232264994 1132447398 /nfs/dbraw/zinc/44/73/98/1132447398.db2.gz MVWCTQWNJSSHLG-UHFFFAOYSA-N 0 1 271.788 3.676 20 10 CHCDMN Oc1cc(O)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1Cl ZINC001232267798 1132447402 /nfs/dbraw/zinc/44/74/02/1132447402.db2.gz MEMHKEJRXYANLM-BXUZGUMPSA-N 0 1 295.810 3.906 20 10 CHCDMN C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)CC(F)F ZINC000842891141 1132474400 /nfs/dbraw/zinc/47/44/00/1132474400.db2.gz ZUQGLYZQJVCADQ-IQJOONFLSA-N 0 1 287.325 3.961 20 10 CHCDMN CC(C)(C)c1cccc(CN2CCc3ccncc3C2)c1O ZINC001143111258 1132504093 /nfs/dbraw/zinc/50/40/93/1132504093.db2.gz ZUMSSRLWSRQEAU-UHFFFAOYSA-N 0 1 296.414 3.643 20 10 CHCDMN CC(C)(C)c1cccc(CN2CCC[C@@H](F)C2)c1O ZINC001143110832 1132504363 /nfs/dbraw/zinc/50/43/63/1132504363.db2.gz QMYLELLWARICIE-CYBMUJFWSA-N 0 1 265.372 3.624 20 10 CHCDMN C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000843435483 1132534084 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CC(C)(C)c1ccc(O)c(CN2CC[C@](C)(F)[C@@H](F)C2)c1 ZINC001233284357 1132594101 /nfs/dbraw/zinc/59/41/01/1132594101.db2.gz RGOGZTSGITZDOF-RDJZCZTQSA-N 0 1 297.389 3.962 20 10 CHCDMN CC(C)(C)c1ccc(O)c(CN2CCc3ncccc3C2)c1 ZINC001233286391 1132594535 /nfs/dbraw/zinc/59/45/35/1132594535.db2.gz RVCVWQHHKNOAIY-UHFFFAOYSA-N 0 1 296.414 3.643 20 10 CHCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc(F)c2F)CCC[C@@H]1C ZINC001233332632 1132601087 /nfs/dbraw/zinc/60/10/87/1132601087.db2.gz RSAOWUKDJHBAQJ-QWRGUYRKSA-N 0 1 269.335 3.538 20 10 CHCDMN CCC[N@H+](Cc1c([O-])ccc(F)c1F)CC(C)C ZINC001233335549 1132603376 /nfs/dbraw/zinc/60/33/76/1132603376.db2.gz AJPBBURERMJXSN-UHFFFAOYSA-N 0 1 257.324 3.538 20 10 CHCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001233335363 1132604641 /nfs/dbraw/zinc/60/46/41/1132604641.db2.gz RWALIQPJWUGOOP-BXUZGUMPSA-N 0 1 281.346 3.825 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](F)CC2)cccc1C(F)(F)F ZINC001233415915 1132618791 /nfs/dbraw/zinc/61/87/91/1132618791.db2.gz 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ZINC001204320904 1133436461 /nfs/dbraw/zinc/43/64/61/1133436461.db2.gz DCQHEKYKUKXWAQ-INIZCTEOSA-N 0 1 295.430 3.665 20 10 CHCDMN C[C@H]1c2cccn2CCN1Cc1ccc(N2CCCC2)cc1 ZINC001204320904 1133436462 /nfs/dbraw/zinc/43/64/62/1133436462.db2.gz DCQHEKYKUKXWAQ-INIZCTEOSA-N 0 1 295.430 3.665 20 10 CHCDMN Cc1ccc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)c(O)c1 ZINC001204580182 1133464110 /nfs/dbraw/zinc/46/41/10/1133464110.db2.gz MWWGCDTUBUXCET-HNNXBMFYSA-N 0 1 261.409 3.959 20 10 CHCDMN Cc1cnc([C@H](C)C[NH2+]Cc2ccc(Cl)cc2[O-])s1 ZINC001205300218 1133556592 /nfs/dbraw/zinc/55/65/92/1133556592.db2.gz WBSBBTPKPBPZNT-SECBINFHSA-N 0 1 296.823 3.704 20 10 CHCDMN C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001207588546 1133823275 /nfs/dbraw/zinc/82/32/75/1133823275.db2.gz JVYQDNFPMWXIDO-GHMZBOCLSA-N 0 1 269.335 3.538 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179950765 1134561961 /nfs/dbraw/zinc/56/19/61/1134561961.db2.gz OPRRYPRMOYAZJV-SNVBAGLBSA-N 0 1 293.716 3.820 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179950765 1134561963 /nfs/dbraw/zinc/56/19/63/1134561963.db2.gz OPRRYPRMOYAZJV-SNVBAGLBSA-N 0 1 293.716 3.820 20 10 CHCDMN Oc1ccc(Cl)cc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000179950765 1134561969 /nfs/dbraw/zinc/56/19/69/1134561969.db2.gz OPRRYPRMOYAZJV-SNVBAGLBSA-N 0 1 293.716 3.820 20 10 CHCDMN COCC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000081709684 260184661 /nfs/dbraw/zinc/18/46/61/260184661.db2.gz NLFSGZKLPMSMSR-OLZOCXBDSA-N 0 1 273.376 3.621 20 10 CHCDMN CC[C@@](C)(NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000152630554 261066671 /nfs/dbraw/zinc/06/66/71/261066671.db2.gz KKIKAFGATIFTLT-MRXNPFEDSA-N 0 1 289.448 3.624 20 10 CHCDMN CCc1nc([C@H](C)N[C@@H](C)c2ccccc2O)cs1 ZINC000183508202 261977669 /nfs/dbraw/zinc/97/76/69/261977669.db2.gz SOSSSJKFSFMJQS-QWRGUYRKSA-N 0 1 276.405 3.823 20 10 CHCDMN COCCC(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000183943190 262001024 /nfs/dbraw/zinc/00/10/24/262001024.db2.gz UIDQDUMEUHIWFL-LLVKDONJSA-N 0 1 285.815 3.759 20 10 CHCDMN Cc1csc(CN[C@H](C)c2cc(Cl)ccc2O)n1 ZINC000184954614 262034800 /nfs/dbraw/zinc/03/48/00/262034800.db2.gz UPQUGASYCIOKPT-SECBINFHSA-N 0 1 282.796 3.661 20 10 CHCDMN Cc1csc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000184954614 262034803 /nfs/dbraw/zinc/03/48/03/262034803.db2.gz UPQUGASYCIOKPT-SECBINFHSA-N 0 1 282.796 3.661 20 10 CHCDMN CCOCCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000186116171 262079872 /nfs/dbraw/zinc/07/98/72/262079872.db2.gz BGEOGTBAFZNUHF-ZDUSSCGKSA-N 0 1 295.398 3.779 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cccnc1C)c1cc(Cl)ccc1[O-] ZINC000527985701 330298700 /nfs/dbraw/zinc/29/87/00/330298700.db2.gz IESVWMQBVPQCRH-OAHLLOKOSA-N 0 1 290.794 3.990 20 10 CHCDMN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000528003897 330300417 /nfs/dbraw/zinc/30/04/17/330300417.db2.gz PBUSEUASCXHYLF-QSJCVTFJSA-N 0 1 283.799 3.508 20 10 CHCDMN CCC(O)(CC)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000087014082 521657626 /nfs/dbraw/zinc/65/76/26/521657626.db2.gz HZJNLJXBUTYDIS-CYBMUJFWSA-N 0 1 287.403 3.747 20 10 CHCDMN CCCN(Cc1ccccc1O)Cc1cccnc1Cl ZINC000068973558 521690214 /nfs/dbraw/zinc/69/02/14/521690214.db2.gz DQRLQYXGCXMEFJ-UHFFFAOYSA-N 0 1 290.794 3.853 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc2ccccc2c1[O-] ZINC000042812034 525479427 /nfs/dbraw/zinc/47/94/27/525479427.db2.gz RRPOGFUDVOIKIR-HIFRSBDPSA-N 0 1 285.387 3.765 20 10 CHCDMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000037218843 525536288 /nfs/dbraw/zinc/53/62/88/525536288.db2.gz GJDMBMGVBMYBJA-KBPBESRZSA-N 0 1 269.392 3.559 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000290427403 526327052 /nfs/dbraw/zinc/32/70/52/526327052.db2.gz LDZIFAQOYQSRQY-UHFFFAOYSA-N 0 1 288.778 3.605 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000367721909 526347297 /nfs/dbraw/zinc/34/72/97/526347297.db2.gz ABODDPZPFPCXEE-HNNXBMFYSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000367721909 526347302 /nfs/dbraw/zinc/34/73/02/526347302.db2.gz ABODDPZPFPCXEE-HNNXBMFYSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127427864 526363559 /nfs/dbraw/zinc/36/35/59/526363559.db2.gz QKFHNVMMTFPMDZ-CQSZACIVSA-N 0 1 276.767 3.711 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127427864 526363566 /nfs/dbraw/zinc/36/35/66/526363566.db2.gz QKFHNVMMTFPMDZ-CQSZACIVSA-N 0 1 276.767 3.711 20 10 CHCDMN CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1O ZINC000836691838 979246614 /nfs/dbraw/zinc/24/66/14/979246614.db2.gz SNZGAJHKEYSYBD-UHFFFAOYSA-N 0 1 299.370 3.503 20 10 CHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001182356873 1122147360 /nfs/dbraw/zinc/14/73/60/1122147360.db2.gz PTPACVKVJOFRSB-LLVKDONJSA-N 0 1 283.774 3.807 20 10 CHCDMN CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841756511 1132392912 /nfs/dbraw/zinc/39/29/12/1132392912.db2.gz WNNVADQODZLWHW-MMPTUQATSA-N 0 1 297.826 3.900 20 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/nfs/dbraw/zinc/21/85/64/1133218564.db2.gz RDXCFJXRJUMRCA-GFCCVEGCSA-N 0 1 267.800 3.832 20 10 CHCDMN CCc1ccc(CNCc2ccc(N(C)C)cc2C)o1 ZINC000134133674 1125536819 /nfs/dbraw/zinc/53/68/19/1125536819.db2.gz JLMWNGCRVJIHPJ-UHFFFAOYSA-N 0 1 272.392 3.506 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cc[nH]c(=O)c1 ZINC000841757258 1125597190 /nfs/dbraw/zinc/59/71/90/1125597190.db2.gz MWEJKWMZYRUSLJ-UWVGGRQHSA-N 0 1 292.766 3.558 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826538527 1125759669 /nfs/dbraw/zinc/75/96/69/1125759669.db2.gz FHDRHAAQLGBFLG-ZANVPECISA-N 0 1 269.747 3.559 20 10 CHCDMN C[C@H]([NH2+]CCc1ccco1)c1cc(Cl)ccc1[O-] ZINC000119878284 1129848305 /nfs/dbraw/zinc/84/83/05/1129848305.db2.gz QHEWDTSIGHVMOV-JTQLQIEISA-N 0 1 265.740 3.532 20 10 CHCDMN C[N@H+](CCc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000769497817 1129914149 /nfs/dbraw/zinc/91/41/49/1129914149.db2.gz BXPHKYRSFIHFCL-UHFFFAOYSA-N 0 1 281.808 3.782 20 10 CHCDMN C[N@@H+](CCc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000769497817 1129914150 /nfs/dbraw/zinc/91/41/50/1129914150.db2.gz BXPHKYRSFIHFCL-UHFFFAOYSA-N 0 1 281.808 3.782 20 10 CHCDMN C[C@H](NCc1ccc(Cl)o1)c1ccc(N(C)C)cc1 ZINC000698115831 1127083142 /nfs/dbraw/zinc/08/31/42/1127083142.db2.gz JOOBFNGCOITHKS-NSHDSACASA-N 0 1 278.783 3.850 20 10 CHCDMN Oc1ccc(F)c(Cl)c1C[N@H+]1CCC2(CCC2)C1 ZINC001237126979 1131056935 /nfs/dbraw/zinc/05/69/35/1131056935.db2.gz RHWZIKKZSROMCJ-UHFFFAOYSA-N 0 1 269.747 3.561 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC2(CCC2)C1 ZINC001237126979 1131056940 /nfs/dbraw/zinc/05/69/40/1131056940.db2.gz RHWZIKKZSROMCJ-UHFFFAOYSA-N 0 1 269.747 3.561 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC2(CCC2)C1 ZINC001237126979 1131056945 /nfs/dbraw/zinc/05/69/45/1131056945.db2.gz RHWZIKKZSROMCJ-UHFFFAOYSA-N 0 1 269.747 3.561 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237125456 1131056972 /nfs/dbraw/zinc/05/69/72/1131056972.db2.gz CAIZAZIZLJAFNK-AOOOYVTPSA-N 0 1 271.763 3.663 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125456 1131056976 /nfs/dbraw/zinc/05/69/76/1131056976.db2.gz CAIZAZIZLJAFNK-AOOOYVTPSA-N 0 1 271.763 3.663 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125456 1131056981 /nfs/dbraw/zinc/05/69/81/1131056981.db2.gz CAIZAZIZLJAFNK-AOOOYVTPSA-N 0 1 271.763 3.663 20 10 CHCDMN CCC(CC)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237621527 1131118585 /nfs/dbraw/zinc/11/85/85/1131118585.db2.gz BQNRAFWUTXWDKQ-UHFFFAOYSA-N 0 1 259.752 3.805 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CCCCCC1 ZINC000258026141 1131206641 /nfs/dbraw/zinc/20/66/41/1131206641.db2.gz CKHLYOZULXNKKP-UHFFFAOYSA-N 0 1 273.298 3.787 20 10 CHCDMN C[C@@H]([NH2+]CC1(C)CC1)c1ccc2ccccc2c1[O-] ZINC000230668014 1127770892 /nfs/dbraw/zinc/77/08/92/1127770892.db2.gz TVBBUVGLIRLKOB-GFCCVEGCSA-N 0 1 255.361 3.996 20 10 CHCDMN CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000230660044 1127771832 /nfs/dbraw/zinc/77/18/32/1127771832.db2.gz SYCVKNABKBPLRG-DZGCQCFKSA-N 0 1 287.403 3.603 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000763333720 1128392425 /nfs/dbraw/zinc/39/24/25/1128392425.db2.gz SCOVHAGUFADMAG-OAHLLOKOSA-N 0 1 267.372 3.777 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000763333720 1128392430 /nfs/dbraw/zinc/39/24/30/1128392430.db2.gz SCOVHAGUFADMAG-OAHLLOKOSA-N 0 1 267.372 3.777 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763333716 1128392465 /nfs/dbraw/zinc/39/24/65/1128392465.db2.gz SCOVHAGUFADMAG-HNNXBMFYSA-N 0 1 267.372 3.777 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000763333716 1128392469 /nfs/dbraw/zinc/39/24/69/1128392469.db2.gz SCOVHAGUFADMAG-HNNXBMFYSA-N 0 1 267.372 3.777 20 10 CHCDMN CO[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(C)C ZINC000381772522 1118090753 /nfs/dbraw/zinc/09/07/53/1118090753.db2.gz JSJFABCDZQQAGY-SUMWQHHRSA-N 0 1 287.403 3.867 20 10 CHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C1CCC1 ZINC000179829576 1128761297 /nfs/dbraw/zinc/76/12/97/1128761297.db2.gz ZDZOYCWZLAHWJP-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C1CCC1 ZINC000179829576 1128761299 /nfs/dbraw/zinc/76/12/99/1128761299.db2.gz ZDZOYCWZLAHWJP-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN CC(C)=CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000188444458 1128762725 /nfs/dbraw/zinc/76/27/25/1128762725.db2.gz OFVZNOQDTYFSLJ-JTQLQIEISA-N 0 1 284.197 3.772 20 10 CHCDMN C[C@H](c1ccccc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000179887390 1128765201 /nfs/dbraw/zinc/76/52/01/1128765201.db2.gz PULPDWBYLMSJHT-GFCCVEGCSA-N 0 1 259.324 3.724 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1[O-] ZINC000253061181 1118288497 /nfs/dbraw/zinc/28/84/97/1118288497.db2.gz DUKTWBBIIUXNLI-GHMZBOCLSA-N 0 1 295.810 3.726 20 10 CHCDMN CC(C)[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000211671287 1118332112 /nfs/dbraw/zinc/33/21/12/1118332112.db2.gz LEFWWMRNNJAJIH-CYBMUJFWSA-N 0 1 298.224 3.775 20 10 CHCDMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000211671287 1118332117 /nfs/dbraw/zinc/33/21/17/1118332117.db2.gz LEFWWMRNNJAJIH-CYBMUJFWSA-N 0 1 298.224 3.775 20 10 CHCDMN CCC[NH+](CCC)Cc1c([O-])cccc1Br ZINC000707140188 1118643519 /nfs/dbraw/zinc/64/35/19/1118643519.db2.gz BYLWGDOUCKWPPA-UHFFFAOYSA-N 0 1 286.213 3.777 20 10 CHCDMN C[C@@H]1CCCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707146648 1118648090 /nfs/dbraw/zinc/64/80/90/1118648090.db2.gz PDYHPGVUHXHYLP-LLVKDONJSA-N 0 1 298.224 3.919 20 10 CHCDMN C[C@@H]1CCCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707146648 1118648092 /nfs/dbraw/zinc/64/80/92/1118648092.db2.gz PDYHPGVUHXHYLP-LLVKDONJSA-N 0 1 298.224 3.919 20 10 CHCDMN Oc1ccccc1CN[C@@H](c1ccco1)c1ccccc1 ZINC000041640174 1118949634 /nfs/dbraw/zinc/94/96/34/1118949634.db2.gz NEYHBCBFELWCRO-GOSISDBHSA-N 0 1 279.339 3.864 20 10 CHCDMN C[C@@H]1CCC[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000226646772 1119255693 /nfs/dbraw/zinc/25/56/93/1119255693.db2.gz KJJDTBUTIJDDQR-VXGBXAGGSA-N 0 1 267.800 3.962 20 10 CHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1C1CC1 ZINC000728562892 1119345034 /nfs/dbraw/zinc/34/50/34/1119345034.db2.gz QFYUQDRMBVNGKW-KRWDZBQOSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728562892 1119345035 /nfs/dbraw/zinc/34/50/35/1119345035.db2.gz QFYUQDRMBVNGKW-KRWDZBQOSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]1C1CC1 ZINC000728562892 1119345036 /nfs/dbraw/zinc/34/50/36/1119345036.db2.gz QFYUQDRMBVNGKW-KRWDZBQOSA-N 0 1 267.372 3.920 20 10 CHCDMN CSC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168786564 1119478078 /nfs/dbraw/zinc/47/80/78/1119478078.db2.gz NRIBYLOGNHYPPK-RYUDHWBXSA-N 0 1 275.417 3.948 20 10 CHCDMN C[C@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000252954269 1119578449 /nfs/dbraw/zinc/57/84/49/1119578449.db2.gz HJFSWUKYDRNURD-XYPYZODXSA-N 0 1 253.773 3.714 20 10 CHCDMN C[C@H](NCc1ccn(C2CCCC2)n1)c1ccccc1O ZINC000179900383 1119791891 /nfs/dbraw/zinc/79/18/91/1119791891.db2.gz KYDOMZSYAMRVLS-ZDUSSCGKSA-N 0 1 285.391 3.555 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cc(Cl)ccc1[O-] ZINC000903310818 1120081087 /nfs/dbraw/zinc/08/10/87/1120081087.db2.gz LNNVMHKFUKTLTM-BDAKNGLRSA-N 0 1 282.796 3.914 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cncs1 ZINC000903310820 1120081136 /nfs/dbraw/zinc/08/11/36/1120081136.db2.gz LNNVMHKFUKTLTM-IUCAKERBSA-N 0 1 282.796 3.914 20 10 CHCDMN COc1cc([O-])c(C[NH+]2CCC3(CCC3)CC2)c(Cl)c1 ZINC001236799177 1128893468 /nfs/dbraw/zinc/89/34/68/1128893468.db2.gz RWBNFLATVXQUSQ-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H](CO)C2)c1[O-] ZINC000840893391 1120140151 /nfs/dbraw/zinc/14/01/51/1120140151.db2.gz GNAIOVYMHIKOEV-SGMGOOAPSA-N 0 1 297.826 3.556 20 10 CHCDMN COc1ccc(C[N@@H+](CC2CC2)C(C)C)c([O-])c1Cl ZINC001236812613 1128897791 /nfs/dbraw/zinc/89/77/91/1128897791.db2.gz DVRWEOCKJVKLJJ-UHFFFAOYSA-N 0 1 283.799 3.675 20 10 CHCDMN C[C@@H]([NH2+]CCN1CCCCCC1)c1cc(Cl)ccc1[O-] ZINC000756379108 1120278349 /nfs/dbraw/zinc/27/83/49/1120278349.db2.gz LJVPSJIWFGZWKU-CYBMUJFWSA-N 0 1 296.842 3.572 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCNc1ccccc1 ZINC000124222273 1120652719 /nfs/dbraw/zinc/65/27/19/1120652719.db2.gz MFKQTDZMNZMDNB-UHFFFAOYSA-N 0 1 290.794 3.637 20 10 CHCDMN COc1cccnc1NCc1cc(Cl)cc(Cl)c1O ZINC000763506968 1128942002 /nfs/dbraw/zinc/94/20/02/1128942002.db2.gz LEOKMLFIPLXKAV-UHFFFAOYSA-N 0 1 299.157 3.715 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000228557400 1120970365 /nfs/dbraw/zinc/97/03/65/1120970365.db2.gz CNILKSJFFKQRKM-STQMWFEESA-N 0 1 287.428 3.949 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000105486529 1120978331 /nfs/dbraw/zinc/97/83/31/1120978331.db2.gz AQBKMTUEDXNZJN-CQSZACIVSA-N 0 1 289.762 3.528 20 10 CHCDMN CC[C@H]([NH2+][C@H]1C=CCC1)c1cc(Br)ccc1[O-] ZINC000700586043 1121107258 /nfs/dbraw/zinc/10/72/58/1121107258.db2.gz GJOPMPBYFYVUBR-AAEUAGOBSA-N 0 1 296.208 3.914 20 10 CHCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000070305459 1128966703 /nfs/dbraw/zinc/96/67/03/1128966703.db2.gz COCNXIAQVLOQLF-JTQLQIEISA-N 0 1 253.773 3.714 20 10 CHCDMN CSCC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001258207627 1128967492 /nfs/dbraw/zinc/96/74/92/1128967492.db2.gz FODRQVDRCKJEEN-GFCCVEGCSA-N 0 1 275.417 3.777 20 10 CHCDMN Cc1ccc(F)c(NCc2ccc(F)c(F)c2O)c1 ZINC000703393742 1121253312 /nfs/dbraw/zinc/25/33/12/1121253312.db2.gz CHJONEXUVZVTFR-UHFFFAOYSA-N 0 1 267.250 3.730 20 10 CHCDMN Cc1cc(F)ccc1NCc1ccc(F)c(F)c1O ZINC000703394214 1121254166 /nfs/dbraw/zinc/25/41/66/1121254166.db2.gz IFQLLSJUZRMKHV-UHFFFAOYSA-N 0 1 267.250 3.730 20 10 CHCDMN C[N@@H+](Cc1cccc2cccnc21)Cc1c([O-])cccc1F ZINC001137837480 1121400371 /nfs/dbraw/zinc/40/03/71/1121400371.db2.gz INVQOUUPCYPNMS-UHFFFAOYSA-N 0 1 296.345 3.712 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCC(F)(F)CC1 ZINC000688480984 1128998816 /nfs/dbraw/zinc/99/88/16/1128998816.db2.gz GMCJDKMCYOSHOC-UHFFFAOYSA-N 0 1 275.726 3.713 20 10 CHCDMN C[N@@H+](Cc1ccc2c(c1)CCCC2)Cc1ccccc1O ZINC001180240076 1121968262 /nfs/dbraw/zinc/96/82/62/1121968262.db2.gz SYIBIURADOPCME-UHFFFAOYSA-N 0 1 281.399 3.903 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2CCCC2)c1[O-] ZINC000110838393 1122067923 /nfs/dbraw/zinc/06/79/23/1122067923.db2.gz YMLOTNXOXLJXLB-UHFFFAOYSA-N 0 1 295.810 3.870 20 10 CHCDMN CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC001181809345 1122081853 /nfs/dbraw/zinc/08/18/53/1122081853.db2.gz YSHKFHKKHUTRSV-AAEUAGOBSA-N 0 1 298.224 3.536 20 10 CHCDMN CC(C)[C@@H]1[N@@H+](Cc2cccc(F)c2[O-])CC12CCCC2 ZINC001182336179 1122145554 /nfs/dbraw/zinc/14/55/54/1122145554.db2.gz YDBZVOVGADCZFB-INIZCTEOSA-N 0 1 277.383 3.932 20 10 CHCDMN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774623156 1122220669 /nfs/dbraw/zinc/22/06/69/1122220669.db2.gz ZFRNCQVXRZNZAU-MLGOLLRUSA-N 0 1 270.376 3.561 20 10 CHCDMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774623156 1122220672 /nfs/dbraw/zinc/22/06/72/1122220672.db2.gz ZFRNCQVXRZNZAU-MLGOLLRUSA-N 0 1 270.376 3.561 20 10 CHCDMN CC(C)c1ccc(O)c(CNCc2noc3ccccc23)c1 ZINC001183769602 1122238126 /nfs/dbraw/zinc/23/81/26/1122238126.db2.gz UMWCWTWURTUUSC-UHFFFAOYSA-N 0 1 296.370 3.947 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000273586194 1122239932 /nfs/dbraw/zinc/23/99/32/1122239932.db2.gz NWPCCDFMIOXBIT-GXSJLCMTSA-N 0 1 271.813 3.592 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000711493779 1122295700 /nfs/dbraw/zinc/29/57/00/1122295700.db2.gz AIPMEETYNDPDOR-SECBINFHSA-N 0 1 292.181 3.881 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711498573 1122297168 /nfs/dbraw/zinc/29/71/68/1122297168.db2.gz QHMUFHXGXCBOAF-CYBMUJFWSA-N 0 1 273.351 3.727 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](CF)C1 ZINC000711498573 1122297172 /nfs/dbraw/zinc/29/71/72/1122297172.db2.gz QHMUFHXGXCBOAF-CYBMUJFWSA-N 0 1 273.351 3.727 20 10 CHCDMN CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000135649832 1122431900 /nfs/dbraw/zinc/43/19/00/1122431900.db2.gz YZDPHZJKEMCFHZ-VIFPVBQESA-N 0 1 274.191 3.931 20 10 CHCDMN CC(C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000135648857 1122433914 /nfs/dbraw/zinc/43/39/14/1122433914.db2.gz RHKUZHMWJMIOCK-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN CC(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000135648857 1122433910 /nfs/dbraw/zinc/43/39/10/1122433910.db2.gz RHKUZHMWJMIOCK-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN CCOCCC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775482846 1122615133 /nfs/dbraw/zinc/61/51/33/1122615133.db2.gz DFLZJAHVPOFXNN-CYBMUJFWSA-N 0 1 271.788 3.513 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)CSC)c1cc(Cl)ccc1[O-] ZINC000775508611 1122629844 /nfs/dbraw/zinc/62/98/44/1122629844.db2.gz DNOAAHOFQUQIDA-BXKDBHETSA-N 0 1 273.829 3.838 20 10 CHCDMN CC[C@@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503606 1122630816 /nfs/dbraw/zinc/63/08/16/1122630816.db2.gz KSEDVZKPZXCNHT-DIOULYMOSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Cl)ccc1[O-] ZINC000775503168 1122630988 /nfs/dbraw/zinc/63/09/88/1122630988.db2.gz CTMBRQHLBZTILS-UKRRQHHQSA-N 0 1 283.799 3.513 20 10 CHCDMN CC[C@@H]([NH2+]CC[C@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000775502530 1122631317 /nfs/dbraw/zinc/63/13/17/1122631317.db2.gz XGOQMAQCLLBVEV-GXFFZTMASA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775507883 1122632134 /nfs/dbraw/zinc/63/21/34/1122632134.db2.gz OVXBOKSZZZUDPO-OCCSQVGLSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1cc(Cl)ccc1[O-] ZINC000775513404 1122632311 /nfs/dbraw/zinc/63/23/11/1122632311.db2.gz IDPVAQQODGDXKY-CQSZACIVSA-N 0 1 294.757 3.821 20 10 CHCDMN CCc1cc(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])on1 ZINC000775509203 1122632571 /nfs/dbraw/zinc/63/25/71/1122632571.db2.gz JBUVQHAWIHCCTQ-CQSZACIVSA-N 0 1 294.782 3.837 20 10 CHCDMN CC[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(Cl)ccc1[O-] ZINC000775513380 1122632859 /nfs/dbraw/zinc/63/28/59/1122632859.db2.gz YXRRLHRIKMLKGE-CQSZACIVSA-N 0 1 278.783 3.625 20 10 CHCDMN CC[C@H]([NH2+]CCN1CCC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000775509464 1122633099 /nfs/dbraw/zinc/63/30/99/1122633099.db2.gz STDVXJOOFSFBTI-DOMZBBRYSA-N 0 1 296.842 3.571 20 10 CHCDMN CCC[C@H](CCO)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775512472 1122634322 /nfs/dbraw/zinc/63/43/22/1122634322.db2.gz LCWMVIJJNSLKJJ-IUODEOHRSA-N 0 1 299.842 3.885 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000775628932 1122829190 /nfs/dbraw/zinc/82/91/90/1122829190.db2.gz BSCYVFBLUWFBEW-CQSZACIVSA-N 0 1 294.757 3.850 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000775634798 1122840516 /nfs/dbraw/zinc/84/05/16/1122840516.db2.gz YNVPYKDJQWNCKQ-OAHLLOKOSA-N 0 1 273.763 3.993 20 10 CHCDMN C[C@H]1c2cccn2CCN1Cc1cc(Cl)cc(F)c1O ZINC000775644057 1122854298 /nfs/dbraw/zinc/85/42/98/1122854298.db2.gz YFYXLPVRNHRUQW-JTQLQIEISA-N 0 1 294.757 3.563 20 10 CHCDMN CC[N@@H+](CCc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000775661383 1122874542 /nfs/dbraw/zinc/87/45/42/1122874542.db2.gz MYWDNEMXUZYXFC-UHFFFAOYSA-N 0 1 290.794 3.505 20 10 CHCDMN CC(C)[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCS1 ZINC000775735787 1122929584 /nfs/dbraw/zinc/92/95/84/1122929584.db2.gz WUGKHLSXVTXIIA-CYBMUJFWSA-N 0 1 285.840 3.619 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000776177307 1123102507 /nfs/dbraw/zinc/10/25/07/1123102507.db2.gz MJXVLHXGUCSQCG-XJKSGUPXSA-N 0 1 287.790 3.766 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000850494849 1123275281 /nfs/dbraw/zinc/27/52/81/1123275281.db2.gz SXTPXMFCOHXCHT-WCQYABFASA-N 0 1 296.842 3.569 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(Cl)ccc1[O-] ZINC000850535312 1123287417 /nfs/dbraw/zinc/28/74/17/1123287417.db2.gz UWDPDLVNEVRBLC-NTZNESFSSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc2ccccc2c1[O-] ZINC000850544943 1123289080 /nfs/dbraw/zinc/28/90/80/1123289080.db2.gz KRSZEYYESRKFOK-ZFWWWQNUSA-N 0 1 299.414 3.605 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@@H](CC)C1 ZINC000780758818 1123544444 /nfs/dbraw/zinc/54/44/44/1123544444.db2.gz WTEZANFHGIOTLU-WBVHZDCISA-N 0 1 291.435 3.809 20 10 CHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@@H](CC)C1 ZINC000780758818 1123544450 /nfs/dbraw/zinc/54/44/50/1123544450.db2.gz WTEZANFHGIOTLU-WBVHZDCISA-N 0 1 291.435 3.809 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(Cc2cccs2)C1 ZINC000862537337 1123816801 /nfs/dbraw/zinc/81/68/01/1123816801.db2.gz AUKUNPOAJGVWEF-UHFFFAOYSA-N 0 1 293.819 3.782 20 10 CHCDMN CO[C@H](C)c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864027742 1123911841 /nfs/dbraw/zinc/91/18/41/1123911841.db2.gz JFPGWIKOBNDYTM-SNVBAGLBSA-N 0 1 293.313 3.990 20 10 CHCDMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CS1 ZINC000840958942 1124041503 /nfs/dbraw/zinc/04/15/03/1124041503.db2.gz POTYWRHVJNRHKI-BXUZGUMPSA-N 0 1 273.401 3.529 20 10 CHCDMN C[C@@H](N[C@@H](CF)c1ccc(F)cc1)c1ccccc1O ZINC000866597210 1124086273 /nfs/dbraw/zinc/08/62/73/1124086273.db2.gz ZDVBBEOXCJWVFN-ABAIWWIYSA-N 0 1 277.314 3.893 20 10 CHCDMN Nc1ccc(CNC2(c3ccc(F)cc3F)CCC2)cc1 ZINC001120370609 1131275134 /nfs/dbraw/zinc/27/51/34/1131275134.db2.gz CABPGDACEXBRQO-UHFFFAOYSA-N 0 1 288.341 3.716 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2ccccc2C1 ZINC000124494498 1124765959 /nfs/dbraw/zinc/76/59/59/1124765959.db2.gz FBLWHFODGPVAHW-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN Cc1cc(O)c(CN2CCC(F)(F)CC2)cc1Cl ZINC000825749582 1124855605 /nfs/dbraw/zinc/85/56/05/1124855605.db2.gz VGIALUMOAGSINL-UHFFFAOYSA-N 0 1 275.726 3.585 20 10 CHCDMN COc1cccc(F)c1[C@H](C)NCc1ccc(C)cc1O ZINC000877041325 1125002537 /nfs/dbraw/zinc/00/25/37/1125002537.db2.gz FJFCHNRDVORHAN-LBPRGKRZSA-N 0 1 289.350 3.699 20 10 CHCDMN CC[C@@](C)(NCc1ccc(C)cc1O)c1nccs1 ZINC000877048959 1125004279 /nfs/dbraw/zinc/00/42/79/1125004279.db2.gz QOZQTWKPGMKGSO-OAHLLOKOSA-N 0 1 276.405 3.572 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCC2CCOCC2)cc1Cl ZINC000826029308 1125131201 /nfs/dbraw/zinc/13/12/01/1125131201.db2.gz DDIYKGYGDYILSL-UHFFFAOYSA-N 0 1 297.826 3.650 20 10 CHCDMN CCCc1nc(CN[C@@H](C)c2ccccc2O)cs1 ZINC000879651938 1125224444 /nfs/dbraw/zinc/22/44/44/1125224444.db2.gz PZTXJJWWKBNOSX-NSHDSACASA-N 0 1 276.405 3.652 20 10 CHCDMN CSc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000883092709 1125371188 /nfs/dbraw/zinc/37/11/88/1125371188.db2.gz WUWJAIKOJWYYOI-GFCCVEGCSA-N 0 1 290.432 3.918 20 10 CHCDMN COc1cccc(C[N@H+]2CCC[C@H]2C2CCCC2)c1O ZINC000132827763 1125423934 /nfs/dbraw/zinc/42/39/34/1125423934.db2.gz WRZODKRRTKYNDN-HNNXBMFYSA-N 0 1 275.392 3.555 20 10 CHCDMN COc1ccc(CNc2ccnc3cc(F)ccc32)c(O)c1 ZINC000795284036 1129209184 /nfs/dbraw/zinc/20/91/84/1129209184.db2.gz GTRRMBZFKRXDES-UHFFFAOYSA-N 0 1 298.317 3.700 20 10 CHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001237938058 1129221842 /nfs/dbraw/zinc/22/18/42/1129221842.db2.gz XGRBGPAXZAJYIQ-QMMMGPOBSA-N 0 1 293.716 3.662 20 10 CHCDMN C[C@@H](F)CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000378855576 1129284483 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ZINC001143104537 1132501635 /nfs/dbraw/zinc/50/16/35/1132501635.db2.gz UXSAGVYWKWBGDZ-RHSMWYFYSA-N 0 1 297.389 3.962 20 10 CHCDMN CC(C)(C)c1cccc(CN2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001143104537 1132501642 /nfs/dbraw/zinc/50/16/42/1132501642.db2.gz UXSAGVYWKWBGDZ-RHSMWYFYSA-N 0 1 297.389 3.962 20 10 CHCDMN [O-]c1c(C[N@H+]2CCCc3ccccc3C2)ccc(F)c1F ZINC001233077433 1132569217 /nfs/dbraw/zinc/56/92/17/1132569217.db2.gz NUEIELASEMQIEJ-UHFFFAOYSA-N 0 1 289.325 3.619 20 10 CHCDMN C[C@H]1CCC[C@H](C)[NH+]1Cc1c([O-])cccc1Cl ZINC000131842454 1132573162 /nfs/dbraw/zinc/57/31/62/1132573162.db2.gz XCRSLXNLSXSLSQ-QWRGUYRKSA-N 0 1 253.773 3.809 20 10 CHCDMN CCC[N@@H+](Cc1c([O-])ccc(F)c1F)[C@H](C)CC ZINC001233331601 1132604168 /nfs/dbraw/zinc/60/41/68/1132604168.db2.gz CSUMGBJUPPLCDC-SNVBAGLBSA-N 0 1 257.324 3.681 20 10 CHCDMN C[N@@H+](C/C=C/c1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233335376 1132604826 /nfs/dbraw/zinc/60/48/26/1132604826.db2.gz SFXFDICUWZOSGE-VMPITWQZSA-N 0 1 289.325 3.816 20 10 CHCDMN C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C2(CC2)C1 ZINC001233455191 1132624505 /nfs/dbraw/zinc/62/45/05/1132624505.db2.gz ACUHRMLCZPTYKU-SNVBAGLBSA-N 0 1 285.309 3.785 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C2(CC2)C1 ZINC001233455191 1132624507 /nfs/dbraw/zinc/62/45/07/1132624507.db2.gz ACUHRMLCZPTYKU-SNVBAGLBSA-N 0 1 285.309 3.785 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CCC2(CC2)CC1 ZINC001233452488 1132626203 /nfs/dbraw/zinc/62/62/03/1132626203.db2.gz YLUGGOMBDMDRIC-UHFFFAOYSA-N 0 1 285.309 3.787 20 10 CHCDMN CC1CC([N@H+](C)Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233728708 1132671713 /nfs/dbraw/zinc/67/17/13/1132671713.db2.gz YZSALMRSMRODGS-UHFFFAOYSA-N 0 1 289.297 3.521 20 10 CHCDMN CC1CC([N@@H+](C)Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233728708 1132671718 /nfs/dbraw/zinc/67/17/18/1132671718.db2.gz YZSALMRSMRODGS-UHFFFAOYSA-N 0 1 289.297 3.521 20 10 CHCDMN CC(C)Oc1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001156920430 1132714978 /nfs/dbraw/zinc/71/49/78/1132714978.db2.gz DYHDOSHYSUVZTP-UHFFFAOYSA-N 0 1 299.418 3.571 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(C)C)C2)c(Cl)c1 ZINC001204390147 1133218560 /nfs/dbraw/zinc/21/85/60/1133218560.db2.gz RDXCFJXRJUMRCA-GFCCVEGCSA-N 0 1 267.800 3.832 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(C)C)C2)c(Cl)c1 ZINC001204390149 1133217812 /nfs/dbraw/zinc/21/78/12/1133217812.db2.gz RDXCFJXRJUMRCA-LBPRGKRZSA-N 0 1 267.800 3.832 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(C)C)C2)c(Cl)c1 ZINC001204390149 1133217819 /nfs/dbraw/zinc/21/78/19/1133217819.db2.gz RDXCFJXRJUMRCA-LBPRGKRZSA-N 0 1 267.800 3.832 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252762319 1133230656 /nfs/dbraw/zinc/23/06/56/1133230656.db2.gz DMFUWUXQINBIRE-OLZOCXBDSA-N 0 1 263.356 3.543 20 10 CHCDMN COc1ccc2c(c1)nccc2N(C)c1ccc(N)cc1 ZINC001203528553 1133337300 /nfs/dbraw/zinc/33/73/00/1133337300.db2.gz ROKIKVHRBMZODH-UHFFFAOYSA-N 0 1 279.343 3.594 20 10 CHCDMN Oc1ccccc1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001203561168 1133340965 /nfs/dbraw/zinc/34/09/65/1133340965.db2.gz MOGLZFHYCCLUOC-UHFFFAOYSA-N 0 1 267.372 3.947 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC2(CC2)C1 ZINC001203574421 1133341693 /nfs/dbraw/zinc/34/16/93/1133341693.db2.gz VIVTUUWSDJVUMT-UHFFFAOYSA-N 0 1 272.175 3.685 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001203657423 1133349060 /nfs/dbraw/zinc/34/90/60/1133349060.db2.gz KWPGIFOOWDZPCE-SECBINFHSA-N 0 1 275.726 3.523 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001203657423 1133349065 /nfs/dbraw/zinc/34/90/65/1133349065.db2.gz KWPGIFOOWDZPCE-SECBINFHSA-N 0 1 275.726 3.523 20 10 CHCDMN Oc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1O ZINC001203875557 1133378018 /nfs/dbraw/zinc/37/80/18/1133378018.db2.gz PVTUVOSCZUGPRM-HNNXBMFYSA-N 0 1 287.334 3.574 20 10 CHCDMN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC001204281501 1133428767 /nfs/dbraw/zinc/42/87/67/1133428767.db2.gz SEGTYJJOWQWMLB-MRXNPFEDSA-N 0 1 275.392 3.643 20 10 CHCDMN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001204281501 1133428770 /nfs/dbraw/zinc/42/87/70/1133428770.db2.gz SEGTYJJOWQWMLB-MRXNPFEDSA-N 0 1 275.392 3.643 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H]2C)cc1Cl ZINC001204400642 1133443461 /nfs/dbraw/zinc/44/34/61/1133443461.db2.gz FWXGFDBHMWASLB-MWLCHTKSSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H]2C)cc1Cl ZINC001204400642 1133443466 /nfs/dbraw/zinc/44/34/66/1133443466.db2.gz FWXGFDBHMWASLB-MWLCHTKSSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H]2C)cc1Cl ZINC001204400642 1133443468 /nfs/dbraw/zinc/44/34/68/1133443468.db2.gz FWXGFDBHMWASLB-MWLCHTKSSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1ccoc1C[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001205997650 1133640216 /nfs/dbraw/zinc/64/02/16/1133640216.db2.gz CDVPQMAREPTQNP-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN Cc1ccoc1C[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001205997650 1133640217 /nfs/dbraw/zinc/64/02/17/1133640217.db2.gz CDVPQMAREPTQNP-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN [O-]c1c(C[NH2+]CCOCC2CCCC2)ccc2ccccc21 ZINC001206151162 1133664738 /nfs/dbraw/zinc/66/47/38/1133664738.db2.gz LAQOCRZSRHGDMO-UHFFFAOYSA-N 0 1 299.414 3.842 20 10 CHCDMN CCCCCOC1CN(Cc2ccc3ccccc3c2O)C1 ZINC001206173823 1133667573 /nfs/dbraw/zinc/66/75/73/1133667573.db2.gz BSPYTZHQRHLUOA-UHFFFAOYSA-N 0 1 299.414 3.936 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000166371181 1133917657 /nfs/dbraw/zinc/91/76/57/1133917657.db2.gz NKBZERYUKXVGLD-INIZCTEOSA-N 0 1 271.335 3.868 20 10 CHCDMN c1[nH]nc2cc(NCc3ccc(N4CCCC4)cc3)ccc12 ZINC000315657593 1135158507 /nfs/dbraw/zinc/15/85/07/1135158507.db2.gz OFNKIYDLRPEPRS-UHFFFAOYSA-N 0 1 292.386 3.775 20 10 CHCDMN C[C@H]1COC[C@@H]1OC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227487648 1135839823 /nfs/dbraw/zinc/83/98/23/1135839823.db2.gz XUJMMAMNJLVBHV-GYACPANFSA-N 0 1 299.330 3.616 20 10 CHCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccnc1Cl ZINC000160536997 261217565 /nfs/dbraw/zinc/21/75/65/261217565.db2.gz FIDJTQITOFFCIQ-GFCCVEGCSA-N 0 1 289.810 3.652 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2ccoc2)cc1 ZINC000178474885 261744414 /nfs/dbraw/zinc/74/44/14/261744414.db2.gz GTTLRUWFADMZFF-CYBMUJFWSA-N 0 1 258.365 3.587 20 10 CHCDMN CCOCCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000186155213 262081781 /nfs/dbraw/zinc/08/17/81/262081781.db2.gz RRHXVHHLKBLQQS-LBPRGKRZSA-N 0 1 297.826 3.903 20 10 CHCDMN CCc1cnc(CN[C@H](C)c2ccc(C)cc2O)s1 ZINC000185584616 262305599 /nfs/dbraw/zinc/30/55/99/262305599.db2.gz OITKAIBCHJQDLI-LLVKDONJSA-N 0 1 276.405 3.570 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000278613839 327177770 /nfs/dbraw/zinc/17/77/70/327177770.db2.gz RGPKQDDKPNZFFY-IGCXYCKISA-N 0 1 285.387 3.621 20 10 CHCDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C)c2O)n1 ZINC000180277739 329219452 /nfs/dbraw/zinc/21/94/52/329219452.db2.gz RFRPPWHLCCCKLE-KRWDZBQOSA-N 0 1 282.387 3.741 20 10 CHCDMN C[C@@H]1C[C@H]([NH2+]CC2CC=CC2)c2c1c(F)ccc2[O-] ZINC000527951663 330294543 /nfs/dbraw/zinc/29/45/43/330294543.db2.gz RJPQXFQEPAFKKM-MFKMUULPSA-N 0 1 261.340 3.635 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(Cl)cc1[O-] ZINC000528038147 330303307 /nfs/dbraw/zinc/30/33/07/330303307.db2.gz QUOCTTLDFXAMFV-ZJUUUORDSA-N 0 1 294.757 3.992 20 10 CHCDMN C[C@@H](N[C@@H](C)c1ncccc1F)c1ccc(Cl)cc1O ZINC000528038147 330303308 /nfs/dbraw/zinc/30/33/08/330303308.db2.gz QUOCTTLDFXAMFV-ZJUUUORDSA-N 0 1 294.757 3.992 20 10 CHCDMN CCc1cnc(CN[C@H](CC)c2ccccc2O)s1 ZINC000156090210 330718916 /nfs/dbraw/zinc/71/89/16/330718916.db2.gz NWGZLTKTQZCPDA-CYBMUJFWSA-N 0 1 276.405 3.652 20 10 CHCDMN C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000230669759 333320245 /nfs/dbraw/zinc/32/02/45/333320245.db2.gz PIUWDLMAGWQSDW-KBPBESRZSA-N 0 1 287.403 3.605 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc2ccccc2c1[O-] ZINC000296633513 334912772 /nfs/dbraw/zinc/91/27/72/334912772.db2.gz XNOSIUGAVQRCAD-QWHCGFSZSA-N 0 1 287.403 3.746 20 10 CHCDMN CCC(O)(CC)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000087014080 521657232 /nfs/dbraw/zinc/65/72/32/521657232.db2.gz HZJNLJXBUTYDIS-ZDUSSCGKSA-N 0 1 287.403 3.747 20 10 CHCDMN CC[C@H](NCc1nc(C)cs1)c1ccc(N(C)C)cc1 ZINC000126244258 522669303 /nfs/dbraw/zinc/66/93/03/522669303.db2.gz TXOZVIYSVBUHKC-HNNXBMFYSA-N 0 1 289.448 3.758 20 10 CHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(Cl)cn1 ZINC000274964460 525445373 /nfs/dbraw/zinc/44/53/73/525445373.db2.gz XCOFRMIROYRSPF-LBPRGKRZSA-N 0 1 289.810 3.652 20 10 CHCDMN CSC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000292730146 525651122 /nfs/dbraw/zinc/65/11/22/525651122.db2.gz GCXHGTWHIIMBBQ-LLVKDONJSA-N 0 1 285.840 3.621 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736940940 599767877 /nfs/dbraw/zinc/76/78/77/599767877.db2.gz VQWNJKQIQYGBPM-ZDUSSCGKSA-N 0 1 299.370 3.618 20 10 CHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000093558740 1120822161 /nfs/dbraw/zinc/82/21/61/1120822161.db2.gz WAVZUPRYAXUFQB-SNVBAGLBSA-N 0 1 273.829 3.619 20 10 CHCDMN CSCC[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000093558740 1120822164 /nfs/dbraw/zinc/82/21/64/1120822164.db2.gz WAVZUPRYAXUFQB-SNVBAGLBSA-N 0 1 273.829 3.619 20 10 CHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000093558740 1120822166 /nfs/dbraw/zinc/82/21/66/1120822166.db2.gz WAVZUPRYAXUFQB-SNVBAGLBSA-N 0 1 273.829 3.619 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702771530 1121212284 /nfs/dbraw/zinc/21/22/84/1121212284.db2.gz SSTCZNJNCZZHPF-UHFFFAOYSA-N 0 1 275.726 3.667 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000702771530 1121212292 /nfs/dbraw/zinc/21/22/92/1121212292.db2.gz SSTCZNJNCZZHPF-UHFFFAOYSA-N 0 1 275.726 3.667 20 10 CHCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCC(F)(F)CC1 ZINC000703562866 1121278123 /nfs/dbraw/zinc/27/81/23/1121278123.db2.gz KJPBDJJWKDWXQZ-UHFFFAOYSA-N 0 1 291.288 3.680 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C[C@@H]1C ZINC001139685681 1131628842 /nfs/dbraw/zinc/62/88/42/1131628842.db2.gz SRRCPMKWGHHGFH-MNOVXSKESA-N 0 1 269.335 3.538 20 10 CHCDMN C[C@]1(CC[NH2+]Cc2c([O-])cccc2Cl)C[C@]1(F)Cl ZINC000846040649 1131683210 /nfs/dbraw/zinc/68/32/10/1131683210.db2.gz XPPWBKNUBHGGIK-QWHCGFSZSA-N 0 1 292.181 3.840 20 10 CHCDMN CCC[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])OC ZINC000834841755 1131710559 /nfs/dbraw/zinc/71/05/59/1131710559.db2.gz ZVCAVGAIRICZDC-CMPLNLGQSA-N 0 1 271.788 3.511 20 10 CHCDMN CCC[N@H+](Cc1ccc(Cl)cc1[O-])CC1CC1 ZINC001140461707 1131748335 /nfs/dbraw/zinc/74/83/35/1131748335.db2.gz RKFFHTHMXXYCPD-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@H]1C ZINC001205470637 1133580605 /nfs/dbraw/zinc/58/06/05/1133580605.db2.gz BEHYKYJAGMWUDP-WDEREUQCSA-N 0 1 298.224 3.775 20 10 CHCDMN CC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@H]1C ZINC001205470637 1133580610 /nfs/dbraw/zinc/58/06/10/1133580610.db2.gz BEHYKYJAGMWUDP-WDEREUQCSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000120214092 1125542589 /nfs/dbraw/zinc/54/25/89/1125542589.db2.gz HOGYPBKJNSSVOD-JQWIXIFHSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(Cl)cc1[O-] ZINC000841743617 1125568882 /nfs/dbraw/zinc/56/88/82/1125568882.db2.gz IRSLPNZIVHZYNZ-WDEREUQCSA-N 0 1 279.767 3.920 20 10 CHCDMN CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134906963 1125569567 /nfs/dbraw/zinc/56/95/67/1125569567.db2.gz LNKNZSJWWUEJPU-BDAKNGLRSA-N 0 1 272.186 3.604 20 10 CHCDMN C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841751193 1125582644 /nfs/dbraw/zinc/58/26/44/1125582644.db2.gz MILRQXZGGSHEHP-XHDPSFHLSA-N 0 1 297.826 3.637 20 10 CHCDMN CCOC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841753803 1125592417 /nfs/dbraw/zinc/59/24/17/1125592417.db2.gz WOAYGEAGYPUBBR-SMDDNHRTSA-N 0 1 285.815 3.757 20 10 CHCDMN CCN(CC)c1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000886506461 1125681364 /nfs/dbraw/zinc/68/13/64/1125681364.db2.gz UMSZBKRRANNBEH-SFHVURJKSA-N 0 1 295.430 3.705 20 10 CHCDMN C[C@H]([NH2+]CCC1(O)CCC1)c1ccc2ccccc2c1[O-] ZINC000284287190 1125691887 /nfs/dbraw/zinc/69/18/87/1125691887.db2.gz HXQGEJGHMHSROS-ZDUSSCGKSA-N 0 1 285.387 3.501 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000769236723 1129897866 /nfs/dbraw/zinc/89/78/66/1129897866.db2.gz CEWTVGWBVWZPFI-AWEZNQCLSA-N 0 1 265.784 3.810 20 10 CHCDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000179598606 1126830958 /nfs/dbraw/zinc/83/09/58/1126830958.db2.gz BBESVIBKGKNBAF-HNNXBMFYSA-N 0 1 290.794 3.721 20 10 CHCDMN C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180179009 1126840340 /nfs/dbraw/zinc/84/03/40/1126840340.db2.gz XZBWMMXRWDFONP-NSHDSACASA-N 0 1 291.778 3.944 20 10 CHCDMN C[C@H](NCc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000182118108 1126866492 /nfs/dbraw/zinc/86/64/92/1126866492.db2.gz XVKWUTRRRQCPIJ-LBPRGKRZSA-N 0 1 289.810 3.652 20 10 CHCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237123981 1131054127 /nfs/dbraw/zinc/05/41/27/1131054127.db2.gz IKRYUQCBZSSRCZ-VHSXEESVSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237123981 1131054131 /nfs/dbraw/zinc/05/41/31/1131054131.db2.gz IKRYUQCBZSSRCZ-VHSXEESVSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237123981 1131054137 /nfs/dbraw/zinc/05/41/37/1131054137.db2.gz IKRYUQCBZSSRCZ-VHSXEESVSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc2ccccc2c1[O-] ZINC000698192235 1127185500 /nfs/dbraw/zinc/18/55/00/1127185500.db2.gz VETBCJWKJWAPNA-OCCSQVGLSA-N 0 1 253.345 3.915 20 10 CHCDMN C[N@H+](Cc1cc(F)c(Cl)cc1[O-])C[C@@H]1CC1(C)C ZINC001237950573 1131154520 /nfs/dbraw/zinc/15/45/20/1131154520.db2.gz WVFNOHIRPCPUJM-JTQLQIEISA-N 0 1 271.763 3.663 20 10 CHCDMN Cc1c2ccccc2n(C)c1CNCc1cc(O)cc(F)c1 ZINC000355120314 1127318597 /nfs/dbraw/zinc/31/85/97/1127318597.db2.gz JNODRAOJKZIXBQ-UHFFFAOYSA-N 0 1 298.361 3.621 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000783311243 1127363885 /nfs/dbraw/zinc/36/38/85/1127363885.db2.gz UDPFBRNQHMNWRM-FOGDFJRCSA-N 0 1 298.224 3.994 20 10 CHCDMN CS[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168851712 1127471443 /nfs/dbraw/zinc/47/14/43/1127471443.db2.gz OEOPWUYMNOBXQQ-RYUDHWBXSA-N 0 1 275.417 3.948 20 10 CHCDMN Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172732 1127535799 /nfs/dbraw/zinc/53/57/99/1127535799.db2.gz XOXFXVWVMDAPGB-BXUZGUMPSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172732 1127535800 /nfs/dbraw/zinc/53/58/00/1127535800.db2.gz XOXFXVWVMDAPGB-BXUZGUMPSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172732 1127535803 /nfs/dbraw/zinc/53/58/03/1127535803.db2.gz XOXFXVWVMDAPGB-BXUZGUMPSA-N 0 1 265.784 3.810 20 10 CHCDMN CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000295964542 1127658708 /nfs/dbraw/zinc/65/87/08/1127658708.db2.gz NIKXYLOWEJPUOC-MNOVXSKESA-N 0 1 293.798 3.674 20 10 CHCDMN Oc1cccc2c1[C@H](NCc1nc(C3CC3)cs1)CC2 ZINC000297089247 1127688552 /nfs/dbraw/zinc/68/85/52/1127688552.db2.gz XEKDHNKXSUAYKA-GFCCVEGCSA-N 0 1 286.400 3.503 20 10 CHCDMN C[C@H]([NH2+]CCC(C)(F)F)c1cc(Cl)ccc1[O-] ZINC000297477474 1127697910 /nfs/dbraw/zinc/69/79/10/1127697910.db2.gz YYSXCSGDYADDNR-QMMMGPOBSA-N 0 1 263.715 3.742 20 10 CHCDMN CCCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000230668552 1127771179 /nfs/dbraw/zinc/77/11/79/1127771179.db2.gz NRFBAJVRROCYFH-LLVKDONJSA-N 0 1 251.345 3.762 20 10 CHCDMN C[C@@H]([NH2+]CCc1nccs1)c1ccc2ccccc2c1[O-] ZINC000063133432 1127798082 /nfs/dbraw/zinc/79/80/82/1127798082.db2.gz DMICIVVYILQBJO-GFCCVEGCSA-N 0 1 298.411 3.895 20 10 CHCDMN CC[C@@](C)(NCc1cc(Cl)ccc1O)c1nccs1 ZINC000152664835 1128145066 /nfs/dbraw/zinc/14/50/66/1128145066.db2.gz UNUIHSHGURNTDA-CQSZACIVSA-N 0 1 296.823 3.917 20 10 CHCDMN CC[C@@](C)([NH2+]Cc1cc(Cl)ccc1[O-])c1nccs1 ZINC000152664835 1128145068 /nfs/dbraw/zinc/14/50/68/1128145068.db2.gz UNUIHSHGURNTDA-CQSZACIVSA-N 0 1 296.823 3.917 20 10 CHCDMN C[C@H](Cc1ccccc1)C[N@@H+](C)Cc1ccccc1O ZINC000753958313 1128161064 /nfs/dbraw/zinc/16/10/64/1128161064.db2.gz BPPMJVZEFSTUAW-OAHLLOKOSA-N 0 1 269.388 3.703 20 10 CHCDMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000914785248 1128244133 /nfs/dbraw/zinc/24/41/33/1128244133.db2.gz VPPCSRGCGZZAQF-ZFWWWQNUSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@H]1CCC[C@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000914785248 1128244136 /nfs/dbraw/zinc/24/41/36/1128244136.db2.gz VPPCSRGCGZZAQF-ZFWWWQNUSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000914785248 1128244138 /nfs/dbraw/zinc/24/41/38/1128244138.db2.gz VPPCSRGCGZZAQF-ZFWWWQNUSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000927028458 1128208976 /nfs/dbraw/zinc/20/89/76/1128208976.db2.gz ADDHDUFTMDCXMQ-JFGNBEQYSA-N 0 1 285.840 3.980 20 10 CHCDMN CCCC[N@@H+](CC)Cc1c(O)ccc2ccncc21 ZINC000914567441 1128211708 /nfs/dbraw/zinc/21/17/08/1128211708.db2.gz 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/nfs/dbraw/zinc/75/32/59/1128753259.db2.gz AZXBLSXJRPORSC-LBPRGKRZSA-N 0 1 289.350 3.733 20 10 CHCDMN C[C@H](c1ccccc1F)N(C)Cc1cc(F)ccc1O ZINC000179923913 1128768058 /nfs/dbraw/zinc/76/80/58/1128768058.db2.gz PMDIKLARWABSRG-LLVKDONJSA-N 0 1 277.314 3.863 20 10 CHCDMN C[C@H]1C[C@H](C)C[NH+](Cc2c([O-])cccc2Br)C1 ZINC000707145860 1118648232 /nfs/dbraw/zinc/64/82/32/1118648232.db2.gz JJWUYTCHYYMASP-QWRGUYRKSA-N 0 1 298.224 3.633 20 10 CHCDMN CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1[O-] ZINC000213659444 1118817688 /nfs/dbraw/zinc/81/76/88/1118817688.db2.gz ISHDOSVEVVBIOQ-CQSZACIVSA-N 0 1 263.381 3.555 20 10 CHCDMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)cc1[O-] ZINC000213659444 1118817695 /nfs/dbraw/zinc/81/76/95/1118817695.db2.gz ISHDOSVEVVBIOQ-CQSZACIVSA-N 0 1 263.381 3.555 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C[C@@H]1C ZINC001140582930 1119148163 /nfs/dbraw/zinc/14/81/63/1119148163.db2.gz PWMMAOURNXFHKK-MNOVXSKESA-N 0 1 269.335 3.538 20 10 CHCDMN C[C@H](c1nc2ccccc2o1)N(C)Cc1ccccc1O ZINC000181171262 1128841148 /nfs/dbraw/zinc/84/11/48/1128841148.db2.gz ZPEUKKCVZVFEMP-GFCCVEGCSA-N 0 1 282.343 3.726 20 10 CHCDMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000708455632 1119468688 /nfs/dbraw/zinc/46/86/88/1119468688.db2.gz XDYLXSSLERIJFR-ZDUSSCGKSA-N 0 1 265.372 3.789 20 10 CHCDMN CC[C@@H]([NH2+]C1CC(C)C1)c1cc(Br)ccc1[O-] ZINC000163655574 1120018727 /nfs/dbraw/zinc/01/87/27/1120018727.db2.gz KXPGYNBPUCKAKF-QEIKUCIBSA-N 0 1 298.224 3.994 20 10 CHCDMN CC[N@@H+](Cc1c([O-])ccc2ccccc21)CC1CC1 ZINC000069797430 1128908739 /nfs/dbraw/zinc/90/87/39/1128908739.db2.gz NUVRONPMBWVVAL-UHFFFAOYSA-N 0 1 255.361 3.777 20 10 CHCDMN CC[N@H+](Cc1c([O-])ccc2ccccc21)CC1CC1 ZINC000069797430 1128908742 /nfs/dbraw/zinc/90/87/42/1128908742.db2.gz NUVRONPMBWVVAL-UHFFFAOYSA-N 0 1 255.361 3.777 20 10 CHCDMN CC(C)C1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186100020 1120390932 /nfs/dbraw/zinc/39/09/32/1120390932.db2.gz OPSKVSVREVBUMG-LLVKDONJSA-N 0 1 251.345 3.618 20 10 CHCDMN CC1(C)CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000162717801 1120590524 /nfs/dbraw/zinc/59/05/24/1120590524.db2.gz AJCUBKBHDQZRTJ-GFCCVEGCSA-N 0 1 253.773 3.714 20 10 CHCDMN c1ccc([C@@H](NCc2ccc3c(c2)CCCO3)C2CC2)nc1 ZINC000922583437 1120557284 /nfs/dbraw/zinc/55/72/84/1120557284.db2.gz XPSJKEHGGFVSEP-IBGZPJMESA-N 0 1 294.398 3.648 20 10 CHCDMN Cc1cnc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000756612299 1120605646 /nfs/dbraw/zinc/60/56/46/1120605646.db2.gz ZLOMWRXIDVVELH-LDYMZIIASA-N 0 1 292.379 3.634 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000228003364 1120663053 /nfs/dbraw/zinc/66/30/53/1120663053.db2.gz RVJDREZTZXEXRJ-SWLSCSKDSA-N 0 1 263.356 3.686 20 10 CHCDMN CCN(CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000185308093 1120910763 /nfs/dbraw/zinc/91/07/63/1120910763.db2.gz RGTQBAWZSFTHJY-AWEZNQCLSA-N 0 1 298.430 3.680 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCCC1(C)C)c1cc(F)ccc1[O-] ZINC000094618524 1121087188 /nfs/dbraw/zinc/08/71/88/1121087188.db2.gz UMMBXKNWSZVRDR-HZMBPMFUSA-N 0 1 251.345 3.761 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1cc(F)ccc1[O-] ZINC000094618523 1121087668 /nfs/dbraw/zinc/08/76/68/1121087668.db2.gz UMMBXKNWSZVRDR-QMTHXVAHSA-N 0 1 251.345 3.761 20 10 CHCDMN CCOc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000893683550 1121166047 /nfs/dbraw/zinc/16/60/47/1121166047.db2.gz JLGCBVKFONAVPM-ZDUSSCGKSA-N 0 1 288.391 3.595 20 10 CHCDMN C[C@@H](F)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000702625087 1121206317 /nfs/dbraw/zinc/20/63/17/1121206317.db2.gz XCGMDEOENOIJOI-VXGBXAGGSA-N 0 1 261.340 3.944 20 10 CHCDMN [O-]c1cccc(Br)c1C[NH2+]C1CCCCC1 ZINC000706863467 1121442502 /nfs/dbraw/zinc/44/25/02/1121442502.db2.gz IHBKMSNTSIHPED-UHFFFAOYSA-N 0 1 284.197 3.577 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CCCS2)c(Cl)c1 ZINC001178161606 1121768106 /nfs/dbraw/zinc/76/81/06/1121768106.db2.gz PKGWWPGWWBVXBT-CQSZACIVSA-N 0 1 285.840 3.729 20 10 CHCDMN CCN(C)c1ccc(CN(C)Cc2ccoc2C)cc1 ZINC000773746292 1121788199 /nfs/dbraw/zinc/78/81/99/1121788199.db2.gz JGYRCPQYHXNRNA-UHFFFAOYSA-N 0 1 272.392 3.676 20 10 CHCDMN CC(C)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001179974145 1121931495 /nfs/dbraw/zinc/93/14/95/1121931495.db2.gz KIFNRMAJLXERPS-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN CC(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001179974145 1121931501 /nfs/dbraw/zinc/93/15/01/1121931501.db2.gz KIFNRMAJLXERPS-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN CC[N@H+](CCC1CC1)Cc1cc(Cl)c(C)cc1[O-] ZINC001180614214 1122000237 /nfs/dbraw/zinc/00/02/37/1122000237.db2.gz ZJIMLRFHWYOMBU-UHFFFAOYSA-N 0 1 267.800 3.976 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1cc(Cl)c(C)cc1[O-] ZINC001180614214 1122000241 /nfs/dbraw/zinc/00/02/41/1122000241.db2.gz ZJIMLRFHWYOMBU-UHFFFAOYSA-N 0 1 267.800 3.976 20 10 CHCDMN CC(C)c1ccc(O)c(CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC001181696867 1122073169 /nfs/dbraw/zinc/07/31/69/1122073169.db2.gz CGZGADSWAFHUOH-QGZVFWFLSA-N 0 1 299.418 3.966 20 10 CHCDMN CCC[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])OCC ZINC001183065274 1122204325 /nfs/dbraw/zinc/20/43/25/1122204325.db2.gz JTOWMSNZHDOKEF-ZDUSSCGKSA-N 0 1 285.815 3.649 20 10 CHCDMN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774623150 1122221381 /nfs/dbraw/zinc/22/13/81/1122221381.db2.gz ZFRNCQVXRZNZAU-LRDDRELGSA-N 0 1 270.376 3.561 20 10 CHCDMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774623150 1122221382 /nfs/dbraw/zinc/22/13/82/1122221382.db2.gz ZFRNCQVXRZNZAU-LRDDRELGSA-N 0 1 270.376 3.561 20 10 CHCDMN Oc1cccc2c1CN(C/C=C\c1ccc(F)cc1)C2 ZINC001183454768 1122223899 /nfs/dbraw/zinc/22/38/99/1122223899.db2.gz NNLMGLKHRJQLJF-IHWYPQMZSA-N 0 1 269.319 3.560 20 10 CHCDMN Cc1nc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cs1 ZINC000273427481 1122233200 /nfs/dbraw/zinc/23/32/00/1122233200.db2.gz UPIJIFBKJUGLAI-SECBINFHSA-N 0 1 296.823 3.704 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000273491825 1122236238 /nfs/dbraw/zinc/23/62/38/1122236238.db2.gz OKIKZCKABGZJPX-YPMHNXCESA-N 0 1 295.810 3.798 20 10 CHCDMN CCCOc1ccc(CNCc2ccc(C)o2)cc1C ZINC001203271727 1122274403 /nfs/dbraw/zinc/27/44/03/1122274403.db2.gz XDLHIPNEIJIPIU-UHFFFAOYSA-N 0 1 273.376 3.975 20 10 CHCDMN COc1cccc(F)c1[C@@H](C)N[C@@H](C)c1ccccc1O ZINC000183533447 1129060770 /nfs/dbraw/zinc/06/07/70/1129060770.db2.gz PSCRNVLYHKQOMX-NWDGAFQWSA-N 0 1 289.350 3.952 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](COC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775524605 1122642975 /nfs/dbraw/zinc/64/29/75/1122642975.db2.gz SUMNAYVHOBBEDA-KGLIPLIRSA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@H]([NH2+]CC1(CO)CCCC1)c1cc(Cl)ccc1[O-] ZINC000775554112 1122662854 /nfs/dbraw/zinc/66/28/54/1122662854.db2.gz HLGMFGPAIBZDSK-AWEZNQCLSA-N 0 1 297.826 3.639 20 10 CHCDMN Cc1ccoc1CNCc1ccc(N2CCCCC2)cc1 ZINC000266177008 1129085014 /nfs/dbraw/zinc/08/50/14/1129085014.db2.gz DVZKUQYTJPSSIR-UHFFFAOYSA-N 0 1 284.403 3.868 20 10 CHCDMN C[C@@H]1c2cccn2CCN1Cc1cc(Cl)cc(F)c1O ZINC000775644058 1122854060 /nfs/dbraw/zinc/85/40/60/1122854060.db2.gz YFYXLPVRNHRUQW-SNVBAGLBSA-N 0 1 294.757 3.563 20 10 CHCDMN CCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775652747 1122868996 /nfs/dbraw/zinc/86/89/96/1122868996.db2.gz QSBURGXZVCXJEJ-UHFFFAOYSA-N 0 1 257.736 3.559 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000775677157 1122901212 /nfs/dbraw/zinc/90/12/12/1122901212.db2.gz ICYWFLCSFIDTGK-ZDUSSCGKSA-N 0 1 269.747 3.559 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000775702098 1122914304 /nfs/dbraw/zinc/91/43/04/1122914304.db2.gz QBOWIIYBYCEESQ-UHFFFAOYSA-N 0 1 291.753 3.743 20 10 CHCDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1(C)C ZINC000775716633 1122921083 /nfs/dbraw/zinc/92/10/83/1122921083.db2.gz YPVJXDSHOKZLFD-ZIAGYGMSSA-N 0 1 297.826 3.681 20 10 CHCDMN C[C@H]([N@@H+](C)Cc1cc(Cl)cc(F)c1[O-])C1(C)CC1 ZINC000775735860 1122930192 /nfs/dbraw/zinc/93/01/92/1122930192.db2.gz DECPFFMIBPKUDB-VIFPVBQESA-N 0 1 271.763 3.805 20 10 CHCDMN CC(C)[C@H]1CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775764927 1122950521 /nfs/dbraw/zinc/95/05/21/1122950521.db2.gz LWEHWZGBTAEOJY-GFCCVEGCSA-N 0 1 274.191 3.929 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(c2ccccc2)CC1 ZINC000775919546 1123016785 /nfs/dbraw/zinc/01/67/85/1123016785.db2.gz MHWFBAZUZSKLAU-UHFFFAOYSA-N 0 1 287.790 3.867 20 10 CHCDMN Oc1c(CN2CC(C(F)(F)F)C2)ccc2ccccc21 ZINC000894891344 1123043935 /nfs/dbraw/zinc/04/39/35/1123043935.db2.gz BBRQZTLWFZRZLA-UHFFFAOYSA-N 0 1 281.277 3.540 20 10 CHCDMN C[C@H]([NH2+][C@@H]1C=CCC1)c1cc(Br)ccc1[O-] ZINC000850507185 1123276938 /nfs/dbraw/zinc/27/69/38/1123276938.db2.gz DOONKBVDHDCJHK-GXSJLCMTSA-N 0 1 282.181 3.524 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1C=CCC1)c1cc(Cl)ccc1[O-] ZINC000850510354 1123277639 /nfs/dbraw/zinc/27/76/39/1123277639.db2.gz SUDWVOKEVOCSAA-YPMHNXCESA-N 0 1 251.757 3.805 20 10 CHCDMN CC[C@H](N[C@@H](C)c1cscn1)c1ccc(C)cc1O ZINC000850511707 1123278172 /nfs/dbraw/zinc/27/81/72/1123278172.db2.gz LRDYUYQLOMRFSK-AAEUAGOBSA-N 0 1 276.405 3.959 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000850539153 1123288032 /nfs/dbraw/zinc/28/80/32/1123288032.db2.gz BEFXVKYZAOTNCQ-TVQRCGJNSA-N 0 1 253.773 3.885 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000895659544 1123502627 /nfs/dbraw/zinc/50/26/27/1123502627.db2.gz ZSUNFEZTFQLYGH-UHFFFAOYSA-N 0 1 295.810 3.581 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)ccc2ccccc21 ZINC000895790775 1123514269 /nfs/dbraw/zinc/51/42/69/1123514269.db2.gz LPXLDCAIFIEBJP-INIZCTEOSA-N 0 1 297.398 3.594 20 10 CHCDMN Cc1ccc(O)c(CNCc2csc(C(C)(C)C)n2)c1 ZINC000113332269 1123521876 /nfs/dbraw/zinc/52/18/76/1123521876.db2.gz USXASCPSMIBGJX-UHFFFAOYSA-N 0 1 290.432 3.744 20 10 CHCDMN [O-]c1c(C[NH2+]CC[C@@H]2CC2(F)F)ccc2ccccc21 ZINC000857059712 1123583002 /nfs/dbraw/zinc/58/30/02/1123583002.db2.gz XIEHQYDPVFMEIX-CYBMUJFWSA-N 0 1 277.314 3.680 20 10 CHCDMN Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1C(C)C ZINC000783546684 1123744915 /nfs/dbraw/zinc/74/49/15/1123744915.db2.gz SLLSXRTVRJWXLG-SOUVJXGZSA-N 0 1 291.435 3.822 20 10 CHCDMN CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000840859958 1123862210 /nfs/dbraw/zinc/86/22/10/1123862210.db2.gz QRCUEBATYREZPY-MMPTUQATSA-N 0 1 297.826 3.900 20 10 CHCDMN COc1ccccc1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840873859 1123878149 /nfs/dbraw/zinc/87/81/49/1123878149.db2.gz VKPAJGPCLAESJQ-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN COc1cc(C)c(NCc2ccc(F)c(F)c2O)cc1C ZINC000864034373 1123912609 /nfs/dbraw/zinc/91/26/09/1123912609.db2.gz GWGHUWJCHXFXKN-UHFFFAOYSA-N 0 1 293.313 3.908 20 10 CHCDMN Cc1cc(O)c(CNc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000864043686 1123912980 /nfs/dbraw/zinc/91/29/80/1123912980.db2.gz UDAMGXUXDNWVGC-UHFFFAOYSA-N 0 1 287.750 3.842 20 10 CHCDMN C[C@H]([NH2+]CCC1(C)CC1)c1cc(Cl)ccc1[O-] ZINC000794829704 1123962230 /nfs/dbraw/zinc/96/22/30/1123962230.db2.gz WFMVBWDJLUGUPW-JTQLQIEISA-N 0 1 253.773 3.886 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)c1cc(Cl)ccc1[O-] ZINC000794832454 1123963634 /nfs/dbraw/zinc/96/36/34/1123963634.db2.gz SIHNPWKIAPQRPS-IUODEOHRSA-N 0 1 298.858 3.817 20 10 CHCDMN COC1([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000840884906 1123996907 /nfs/dbraw/zinc/99/69/07/1123996907.db2.gz ROPBYZVIHFORGJ-QWRGUYRKSA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC2CCSCC2)c(Cl)c1 ZINC000840897839 1124011207 /nfs/dbraw/zinc/01/12/07/1124011207.db2.gz GRYIRPOKYCXARE-UHFFFAOYSA-N 0 1 285.840 3.587 20 10 CHCDMN Cc1cc(C)c([C@@H](C)NCc2ncc(Cl)s2)c(O)c1 ZINC000872113732 1124687405 /nfs/dbraw/zinc/68/74/05/1124687405.db2.gz RXOXXSJKKOTEGV-SNVBAGLBSA-N 0 1 296.823 3.970 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2ncc(Cl)s2)c(O)c1C ZINC000872116117 1124687640 /nfs/dbraw/zinc/68/76/40/1124687640.db2.gz OJHMFRAWLGLZPG-SNVBAGLBSA-N 0 1 296.823 3.970 20 10 CHCDMN CCCC[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000019907044 1124768874 /nfs/dbraw/zinc/76/88/74/1124768874.db2.gz FGVUWZURKDFRCI-LBPRGKRZSA-N 0 1 286.213 3.996 20 10 CHCDMN C[C@@H]([NH2+]CCc1ccccn1)c1ccc2ccccc2c1[O-] ZINC000020827929 1124879200 /nfs/dbraw/zinc/87/92/00/1124879200.db2.gz YUGNLKOJMLMXDB-CQSZACIVSA-N 0 1 292.382 3.834 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCSC2)cc1Cl ZINC000825940289 1125018706 /nfs/dbraw/zinc/01/87/06/1125018706.db2.gz RTYVIBKWWIZLEZ-NSHDSACASA-N 0 1 285.840 3.587 20 10 CHCDMN Cc1ccc(CN[C@H]2CCCc3cn(C(C)C)nc32)c(O)c1 ZINC000877375947 1125024027 /nfs/dbraw/zinc/02/40/27/1125024027.db2.gz JOSBBHXHBAIMEU-INIZCTEOSA-N 0 1 299.418 3.645 20 10 CHCDMN C[C@H](NCc1csc(C(C)(C)C)n1)c1ccccc1O ZINC000877757090 1125075447 /nfs/dbraw/zinc/07/54/47/1125075447.db2.gz FSSMOYLYFZBEFO-NSHDSACASA-N 0 1 290.432 3.997 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)ccc2ccccc21 ZINC000877806533 1125083497 /nfs/dbraw/zinc/08/34/97/1125083497.db2.gz PDKHIBIFTDXDPF-UWWQBHOKSA-N 0 1 297.398 3.593 20 10 CHCDMN CN(Cc1cc(C(F)(F)F)co1)Cc1ccccc1O ZINC000878241898 1125134612 /nfs/dbraw/zinc/13/46/12/1125134612.db2.gz JPZRJNPLQJVGTN-UHFFFAOYSA-N 0 1 285.265 3.636 20 10 CHCDMN CC(=O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000878325831 1125142230 /nfs/dbraw/zinc/14/22/30/1125142230.db2.gz MHFDOGSVRDREFA-HNNXBMFYSA-N 0 1 283.371 3.544 20 10 CHCDMN CC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000878325831 1125142234 /nfs/dbraw/zinc/14/22/34/1125142234.db2.gz MHFDOGSVRDREFA-HNNXBMFYSA-N 0 1 283.371 3.544 20 10 CHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCCCCC1 ZINC000258200713 1125367597 /nfs/dbraw/zinc/36/75/97/1125367597.db2.gz VETZBEOTHKUJJM-UHFFFAOYSA-N 0 1 284.197 3.531 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cc(Cl)ccc1[O-] ZINC000883357958 1125401152 /nfs/dbraw/zinc/40/11/52/1125401152.db2.gz YKHJOTCSVMHVIV-AAEUAGOBSA-N 0 1 295.810 3.798 20 10 CHCDMN Oc1cccc2c1[C@H](N[C@H]1c3ccccc3CC[C@H]1F)CC2 ZINC000883378017 1125404692 /nfs/dbraw/zinc/40/46/92/1125404692.db2.gz XVHFLYFTZQYFHA-MDZRGWNJSA-N 0 1 297.373 3.995 20 10 CHCDMN Oc1ccccc1CN[C@@H]1c2ccccc2CC[C@@H]1F ZINC000883382433 1125407008 /nfs/dbraw/zinc/40/70/08/1125407008.db2.gz GXMQXJHCVYUVTP-DOTOQJQBSA-N 0 1 271.335 3.507 20 10 CHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001237934139 1129219678 /nfs/dbraw/zinc/21/96/78/1129219678.db2.gz HSRQAJZWSPUGHD-QWRGUYRKSA-N 0 1 283.774 3.807 20 10 CHCDMN CCn1ccnc1CN[C@@H](C)c1ccc2ccccc2c1O ZINC000296662351 1129223766 /nfs/dbraw/zinc/22/37/66/1129223766.db2.gz ZYKIPLZVNIHUMJ-ZDUSSCGKSA-N 0 1 295.386 3.613 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc(F)ccc1[O-] ZINC000282671434 1129278542 /nfs/dbraw/zinc/27/85/42/1129278542.db2.gz JESPQTRCTFVDNI-WBMJQRKESA-N 0 1 293.382 3.531 20 10 CHCDMN Cc1ccc(O)c(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000093660757 1129427049 /nfs/dbraw/zinc/42/70/49/1129427049.db2.gz SFCNRSSYPWFHJT-CRAIPNDOSA-N 0 1 297.398 3.663 20 10 CHCDMN Cc1csc([C@@H](C)N[C@H](C)c2cc(F)ccc2O)n1 ZINC000094618315 1129448402 /nfs/dbraw/zinc/44/84/02/1129448402.db2.gz DIBZUVJEYXYVOX-NXEZZACHSA-N 0 1 280.368 3.708 20 10 CHCDMN C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc2ccccc2c1[O-] ZINC000094797009 1129452573 /nfs/dbraw/zinc/45/25/73/1129452573.db2.gz VAYKFYBWPBQYJI-UGSOOPFHSA-N 0 1 285.387 3.765 20 10 CHCDMN CC[C@@H](NCc1ccc(N(C)C)cc1)c1c(C)noc1C ZINC000121337470 1129714488 /nfs/dbraw/zinc/71/44/88/1129714488.db2.gz MXOYYTVCZKHKTH-MRXNPFEDSA-N 0 1 287.407 3.598 20 10 CHCDMN Cc1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1F ZINC001137678507 1131398157 /nfs/dbraw/zinc/39/81/57/1131398157.db2.gz MEXFZSBPRHIZRE-UHFFFAOYSA-N 0 1 286.394 3.832 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(Br)cc1[O-] ZINC000381327071 1129837276 /nfs/dbraw/zinc/83/72/76/1129837276.db2.gz RLBYDOWJDMBQOD-VDDIYKPWSA-N 0 1 284.197 3.604 20 10 CHCDMN CN(Cc1cccc(F)c1)Cc1c(O)cccc1Cl ZINC000768160041 1129837733 /nfs/dbraw/zinc/83/77/33/1129837733.db2.gz LQBSXQIOOOFKCH-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN COc1cccc(C[N@H+]2CCC[C@H]2C2CCCCC2)c1O ZINC000768319336 1129850670 /nfs/dbraw/zinc/85/06/70/1129850670.db2.gz MXDGGVJFPVXAIZ-INIZCTEOSA-N 0 1 289.419 3.946 20 10 CHCDMN CN(C)c1ccc(CN2CCC[C@@H]2c2ccccn2)cc1F ZINC000768354953 1129853780 /nfs/dbraw/zinc/85/37/80/1129853780.db2.gz LCPDNNNVFYKJCJ-GOSISDBHSA-N 0 1 299.393 3.624 20 10 CHCDMN Cc1cc([C@@H](C)NCc2ccc3c(c2)CCO3)oc1C ZINC000800476952 1129876500 /nfs/dbraw/zinc/87/65/00/1129876500.db2.gz SAKAUAYRZVKIHE-GFCCVEGCSA-N 0 1 271.360 3.682 20 10 CHCDMN Cc1cc([C@H](C)NCc2ccc3c(c2)CCO3)oc1C ZINC000800476953 1129876760 /nfs/dbraw/zinc/87/67/60/1129876760.db2.gz SAKAUAYRZVKIHE-LBPRGKRZSA-N 0 1 271.360 3.682 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000769236723 1129897860 /nfs/dbraw/zinc/89/78/60/1129897860.db2.gz CEWTVGWBVWZPFI-AWEZNQCLSA-N 0 1 265.784 3.810 20 10 CHCDMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000384283165 1129905362 /nfs/dbraw/zinc/90/53/62/1129905362.db2.gz OTRASADWMMJYME-ZWNOBZJWSA-N 0 1 283.799 3.675 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC23CCC3)c1[O-] ZINC000769983199 1129934861 /nfs/dbraw/zinc/93/48/61/1129934861.db2.gz GQZFKQLOTCPRRS-UHFFFAOYSA-N 0 1 293.794 3.767 20 10 CHCDMN C[C@H]([N@H+](C)Cc1c([O-])cccc1Cl)C1(C)CC1 ZINC000770288332 1129943494 /nfs/dbraw/zinc/94/34/94/1129943494.db2.gz IHMSFNQCBHQKBS-JTQLQIEISA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@H]([N@@H+](C)Cc1c([O-])cccc1Cl)C1(C)CC1 ZINC000770288332 1129943497 /nfs/dbraw/zinc/94/34/97/1129943497.db2.gz IHMSFNQCBHQKBS-JTQLQIEISA-N 0 1 253.773 3.666 20 10 CHCDMN CS[C@H]1CCCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000770345996 1129944891 /nfs/dbraw/zinc/94/48/91/1129944891.db2.gz BMUASZCNEOKRMJ-ZDUSSCGKSA-N 0 1 285.840 3.763 20 10 CHCDMN CS[C@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000770345996 1129944893 /nfs/dbraw/zinc/94/48/93/1129944893.db2.gz BMUASZCNEOKRMJ-ZDUSSCGKSA-N 0 1 285.840 3.763 20 10 CHCDMN CS[C@@H]1CCCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000770352666 1129945713 /nfs/dbraw/zinc/94/57/13/1129945713.db2.gz YHVQFGSBHWVAIP-LLVKDONJSA-N 0 1 285.840 3.763 20 10 CHCDMN CS[C@@H]1CCCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000770352666 1129945714 /nfs/dbraw/zinc/94/57/14/1129945714.db2.gz YHVQFGSBHWVAIP-LLVKDONJSA-N 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ZINC000840182636 1132248670 /nfs/dbraw/zinc/24/86/70/1132248670.db2.gz HVMNPYBEFWJPGV-LBPRGKRZSA-N 0 1 270.376 3.561 20 10 CHCDMN C[C@H]1CC(C)(C)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000840182636 1132248676 /nfs/dbraw/zinc/24/86/76/1132248676.db2.gz HVMNPYBEFWJPGV-LBPRGKRZSA-N 0 1 270.376 3.561 20 10 CHCDMN Cc1c(F)ccc(CN(C)Cc2ccccc2O)c1F ZINC001231478258 1132298443 /nfs/dbraw/zinc/29/84/43/1132298443.db2.gz BLKYZKQAFKFFQK-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000840871917 1132298798 /nfs/dbraw/zinc/29/87/98/1132298798.db2.gz ICDBPFDSTWLQQD-WISYIIOYSA-N 0 1 283.799 3.510 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c(Cl)c1 ZINC000840908858 1132307496 /nfs/dbraw/zinc/30/74/96/1132307496.db2.gz YLZDAPYLVGZNDS-LRDDRELGSA-N 0 1 297.826 3.647 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCC[C@H]2CCCCO2)c(Cl)c1 ZINC000840938721 1132310422 /nfs/dbraw/zinc/31/04/22/1132310422.db2.gz FYANWLFNRPBFJI-CYBMUJFWSA-N 0 1 297.826 3.793 20 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288.416 3.803 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@](C)(CF)C2)cc1Cl ZINC001231867143 1132382157 /nfs/dbraw/zinc/38/21/57/1132382157.db2.gz HVYDFIQSERKOSS-CQSZACIVSA-N 0 1 271.763 3.536 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@](C)(CF)C2)cc1Cl ZINC001231867143 1132382162 /nfs/dbraw/zinc/38/21/62/1132382162.db2.gz HVYDFIQSERKOSS-CQSZACIVSA-N 0 1 271.763 3.536 20 10 CHCDMN Cc1cc(O)c(CN2CCCC[C@H](F)C2)cc1Cl ZINC001231868332 1132384163 /nfs/dbraw/zinc/38/41/63/1132384163.db2.gz TYDYSAIEMOUMPX-LBPRGKRZSA-N 0 1 271.763 3.678 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2CCC(C)(C)CC2)cc1Cl ZINC001231870933 1132385175 /nfs/dbraw/zinc/38/51/75/1132385175.db2.gz WNSCJQRKNANTFX-UHFFFAOYSA-N 0 1 267.800 3.976 20 10 CHCDMN Cc1nc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cs1 ZINC000841745275 1132387940 /nfs/dbraw/zinc/38/79/40/1132387940.db2.gz PFWGFKGWHYSIDM-VIFPVBQESA-N 0 1 296.823 3.704 20 10 CHCDMN Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744121 1132388399 /nfs/dbraw/zinc/38/83/99/1132388399.db2.gz FEQZGMCDRKQQSY-QMMMGPOBSA-N 0 1 280.755 3.501 20 10 CHCDMN CC1CC([N@H+](C)Cc2ccc3ccccc3c2[O-])C1 ZINC001231879589 1132389228 /nfs/dbraw/zinc/38/92/28/1132389228.db2.gz JGRBMQCXNYBYDD-UHFFFAOYSA-N 0 1 255.361 3.776 20 10 CHCDMN CC1CC([N@@H+](C)Cc2ccc3ccccc3c2[O-])C1 ZINC001231879589 1132389237 /nfs/dbraw/zinc/38/92/37/1132389237.db2.gz JGRBMQCXNYBYDD-UHFFFAOYSA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841749926 1132389616 /nfs/dbraw/zinc/38/96/16/1132389616.db2.gz JYUGGZUWRCVEKG-SNVBAGLBSA-N 0 1 271.788 3.511 20 10 CHCDMN C[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231878778 1132389680 /nfs/dbraw/zinc/38/96/80/1132389680.db2.gz SXFBSPQGZWLCIS-CYBMUJFWSA-N 0 1 255.361 3.920 20 10 CHCDMN C[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231878778 1132389689 /nfs/dbraw/zinc/38/96/89/1132389689.db2.gz SXFBSPQGZWLCIS-CYBMUJFWSA-N 0 1 255.361 3.920 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(Cl)cc1[O-] ZINC000841751765 1132391821 /nfs/dbraw/zinc/39/18/21/1132391821.db2.gz IZISXESKBINDPY-ZYHUDNBSSA-N 0 1 283.799 3.654 20 10 CHCDMN CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841758869 1132394981 /nfs/dbraw/zinc/39/49/81/1132394981.db2.gz VRKUSLJRNXEDKY-FTGAXOIBSA-N 0 1 283.799 3.510 20 10 CHCDMN Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841764883 1132397204 /nfs/dbraw/zinc/39/72/04/1132397204.db2.gz SOHTZMRSEDXLSY-VIFPVBQESA-N 0 1 294.782 3.544 20 10 CHCDMN Cc1cccc2c1C[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231910238 1132398559 /nfs/dbraw/zinc/39/85/59/1132398559.db2.gz KFCZJGTYEWMVKP-UHFFFAOYSA-N 0 1 273.763 3.870 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001142531002 1132404192 /nfs/dbraw/zinc/40/41/92/1132404192.db2.gz NPJZAVPJZRIZCY-VXGBXAGGSA-N 0 1 281.346 3.683 20 10 CHCDMN CCc1ccc(C[C@@H](C)[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001173246468 1132418927 /nfs/dbraw/zinc/41/89/27/1132418927.db2.gz LHCVNYXMNWUPQS-OAHLLOKOSA-N 0 1 295.426 3.944 20 10 CHCDMN CCc1ccc(C[C@H](C)[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001173246466 1132419142 /nfs/dbraw/zinc/41/91/42/1132419142.db2.gz LHCVNYXMNWUPQS-HNNXBMFYSA-N 0 1 295.426 3.944 20 10 CHCDMN CC[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC001173269552 1132433860 /nfs/dbraw/zinc/43/38/60/1132433860.db2.gz XHPKJESXGIZMAX-GXFFZTMASA-N 0 1 298.224 3.823 20 10 CHCDMN COc1cc([O-])c(C[NH+]2CC3(C2)CCCCC3)cc1Cl ZINC001232268523 1132447607 /nfs/dbraw/zinc/44/76/07/1132447607.db2.gz ONEZNPYBWKQIND-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN CN(Cc1ccc(C(F)(F)F)o1)Cc1ccccc1O ZINC001232446421 1132471087 /nfs/dbraw/zinc/47/10/87/1132471087.db2.gz MEXCOQNRYXFLME-UHFFFAOYSA-N 0 1 285.265 3.636 20 10 CHCDMN C[C@@H]1SCC[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000843435489 1132535261 /nfs/dbraw/zinc/53/52/61/1132535261.db2.gz UXBBJGZVDCYRQV-XHDPSFHLSA-N 0 1 273.401 3.529 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H](c3ccccc3)C2)ccc(F)c1F ZINC001233073637 1132569642 /nfs/dbraw/zinc/56/96/42/1132569642.db2.gz BPSDVRXBIQVLHT-CYBMUJFWSA-N 0 1 289.325 3.660 20 10 CHCDMN [O-]c1c(C[N@H+]2CCCC[C@H](F)C2)cccc1C(F)(F)F ZINC001233415612 1132618939 /nfs/dbraw/zinc/61/89/39/1132618939.db2.gz CJVDWIDGJMLCFT-NSHDSACASA-N 0 1 291.288 3.735 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418432 1132619147 /nfs/dbraw/zinc/61/91/47/1132619147.db2.gz GXAXQPKMEHTQSX-PHIMTYICSA-N 0 1 287.325 3.889 20 10 CHCDMN Nc1ccc(CCc2ccc(Nc3ccncc3)cc2)cc1 ZINC001173883479 1132623717 /nfs/dbraw/zinc/62/37/17/1132623717.db2.gz KRHHGOJSJUFXCC-UHFFFAOYSA-N 0 1 289.382 3.615 20 10 CHCDMN CCOc1ccnc(NCc2cc3ccccc3cc2O)c1 ZINC001160206795 1132946259 /nfs/dbraw/zinc/94/62/59/1132946259.db2.gz KYUCWPLMYPWYLC-UHFFFAOYSA-N 0 1 294.354 3.951 20 10 CHCDMN C[C@]1(F)CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC001203650835 1133347539 /nfs/dbraw/zinc/34/75/39/1133347539.db2.gz FFPBAHUGLOUCQY-AWEZNQCLSA-N 0 1 271.763 3.760 20 10 CHCDMN C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC001203650835 1133347544 /nfs/dbraw/zinc/34/75/44/1133347544.db2.gz FFPBAHUGLOUCQY-AWEZNQCLSA-N 0 1 271.763 3.760 20 10 CHCDMN Oc1ccc(Cl)cc1C[N@H+]1CCCCC12CC2 ZINC001203664329 1133352066 /nfs/dbraw/zinc/35/20/66/1133352066.db2.gz ZDDJZIADXIJRKW-UHFFFAOYSA-N 0 1 251.757 3.564 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCCC12CC2 ZINC001203664329 1133352072 /nfs/dbraw/zinc/35/20/72/1133352072.db2.gz ZDDJZIADXIJRKW-UHFFFAOYSA-N 0 1 251.757 3.564 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCCC12CC2 ZINC001203664329 1133352078 /nfs/dbraw/zinc/35/20/78/1133352078.db2.gz ZDDJZIADXIJRKW-UHFFFAOYSA-N 0 1 251.757 3.564 20 10 CHCDMN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001204164133 1133412114 /nfs/dbraw/zinc/41/21/14/1133412114.db2.gz YNCPEHMOBPNXPL-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001204164133 1133412118 /nfs/dbraw/zinc/41/21/18/1133412118.db2.gz YNCPEHMOBPNXPL-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN Cc1ncccc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204328536 1133437711 /nfs/dbraw/zinc/43/77/11/1133437711.db2.gz INOSZPKBJDIFHU-UHFFFAOYSA-N 0 1 295.430 3.622 20 10 CHCDMN Cc1cc(N(C)C)ccc1CN1CCc2cccc(F)c2C1 ZINC001204346580 1133438115 /nfs/dbraw/zinc/43/81/15/1133438115.db2.gz AQZJZEAQELAQTO-UHFFFAOYSA-N 0 1 298.405 3.758 20 10 CHCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CC(C)(C)C1 ZINC001206216414 1133672141 /nfs/dbraw/zinc/67/21/41/1133672141.db2.gz XCBJPHKMMGKNDY-UHFFFAOYSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]1[C@H](C)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC001206342868 1133692995 /nfs/dbraw/zinc/69/29/95/1133692995.db2.gz MRHLZOWJTJKEBH-BBBLOLIVSA-N 0 1 271.763 3.661 20 10 CHCDMN CC[N@@H+](CCCc1cccc(F)c1)Cc1ccccc1O ZINC001207604353 1133827567 /nfs/dbraw/zinc/82/75/67/1133827567.db2.gz MMUQGYZDIFSGSO-UHFFFAOYSA-N 0 1 287.378 3.986 20 10 CHCDMN CC/C=C\CC[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001208728582 1133935941 /nfs/dbraw/zinc/93/59/41/1133935941.db2.gz GFIMYHIQWANEGS-WAYWQWQTSA-N 0 1 298.430 3.901 20 10 CHCDMN CC/C=C\CCN1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001208728582 1133935945 /nfs/dbraw/zinc/93/59/45/1133935945.db2.gz GFIMYHIQWANEGS-WAYWQWQTSA-N 0 1 298.430 3.901 20 10 CHCDMN Cc1ccc(C)n1-c1ccc(CN2CC[C@H](F)C2)cc1 ZINC001209516353 1134031444 /nfs/dbraw/zinc/03/14/44/1134031444.db2.gz DROUWQLNONASBP-INIZCTEOSA-N 0 1 272.367 3.638 20 10 CHCDMN COc1cnccc1Nc1cc(Cl)c(C)c(Cl)c1O ZINC001211263976 1134400383 /nfs/dbraw/zinc/40/03/83/1134400383.db2.gz QCRFJUSOGSROEW-UHFFFAOYSA-N 0 1 299.157 3.577 20 10 CHCDMN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000314201724 1135143290 /nfs/dbraw/zinc/14/32/90/1135143290.db2.gz QELSTISMLNZLTH-MRXNPFEDSA-N 0 1 295.430 3.923 20 10 CHCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cc(F)ccc1F ZINC000020146103 171032059 /nfs/dbraw/zinc/03/20/59/171032059.db2.gz YJAKZBKUOIKLFU-GFCCVEGCSA-N 0 1 290.357 3.882 20 10 CHCDMN [O-]c1cc2ccccc2cc1C[NH2+]C1CCCCC1 ZINC000045188904 175326320 /nfs/dbraw/zinc/32/63/20/175326320.db2.gz XCJOORJRIYSZMU-UHFFFAOYSA-N 0 1 255.361 3.968 20 10 CHCDMN CCc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)o1 ZINC000160564438 261217945 /nfs/dbraw/zinc/21/79/45/261217945.db2.gz YHPFUDYSBQGVSZ-CYBMUJFWSA-N 0 1 272.392 3.759 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000184845530 262030508 /nfs/dbraw/zinc/03/05/08/262030508.db2.gz JSOIYQYCKJDTOH-WDEREUQCSA-N 0 1 276.767 3.852 20 10 CHCDMN CCc1cnc(CN[C@@H](C)c2ccc(C)cc2O)s1 ZINC000185584596 262305825 /nfs/dbraw/zinc/30/58/25/262305825.db2.gz OITKAIBCHJQDLI-NSHDSACASA-N 0 1 276.405 3.570 20 10 CHCDMN C[C@@H]([NH2+]CC1CC=CC1)c1cc(Cl)ccc1[O-] ZINC000527952413 330294527 /nfs/dbraw/zinc/29/45/27/330294527.db2.gz VFFXCTSDNZWGLB-SNVBAGLBSA-N 0 1 251.757 3.662 20 10 CHCDMN C[C@H]([NH2+]CCOCC1CC1)c1ccc2ccccc2c1[O-] ZINC000230661316 333320059 /nfs/dbraw/zinc/32/00/59/333320059.db2.gz OACFTQNBFVYEPV-ZDUSSCGKSA-N 0 1 285.387 3.623 20 10 CHCDMN C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc2ccccc2c1[O-] ZINC000230669765 333320404 /nfs/dbraw/zinc/32/04/04/333320404.db2.gz PIUWDLMAGWQSDW-UONOGXRCSA-N 0 1 287.403 3.605 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2CC(Cc3ccco3)C2)c(Cl)c1 ZINC000529649294 333503766 /nfs/dbraw/zinc/50/37/66/333503766.db2.gz QLBHMOFJXNWMBB-UHFFFAOYSA-N 0 1 291.778 3.622 20 10 CHCDMN CCCN(Cc1csc(CC)n1)Cc1ccccc1O ZINC000068973678 521692927 /nfs/dbraw/zinc/69/29/27/521692927.db2.gz NGJORUASIJORBU-UHFFFAOYSA-N 0 1 290.432 3.823 20 10 CHCDMN CN(C)c1ccc(CNC2(c3ccccc3F)CC2)cc1 ZINC000076766872 522206178 /nfs/dbraw/zinc/20/61/78/522206178.db2.gz UMLYUSWGPLMOHU-UHFFFAOYSA-N 0 1 284.378 3.671 20 10 CHCDMN C[C@@H](Nc1cc(C2CC2)cc[nH+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290192035 525696611 /nfs/dbraw/zinc/69/66/11/525696611.db2.gz OJTKJIAGUWUDBM-SNVBAGLBSA-N 0 1 299.330 3.746 20 10 CHCDMN Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000128450870 526565693 /nfs/dbraw/zinc/56/56/93/526565693.db2.gz RZYHQWCRCOMJFL-VIFPVBQESA-N 0 1 294.782 3.544 20 10 CHCDMN CCC(CC)[N@@H+](CCOC)Cc1cc(Cl)ccc1O ZINC000133483364 1125462208 /nfs/dbraw/zinc/46/22/08/1125462208.db2.gz DVGCBHQUKWEYNY-UHFFFAOYSA-N 0 1 285.815 3.683 20 10 CHCDMN CCC(CC)[N@H+](CCOC)Cc1cc(Cl)ccc1[O-] ZINC000133483364 1125462212 /nfs/dbraw/zinc/46/22/12/1125462212.db2.gz DVGCBHQUKWEYNY-UHFFFAOYSA-N 0 1 285.815 3.683 20 10 CHCDMN CCC(CC)[N@@H+](CCOC)Cc1cc(Cl)ccc1[O-] ZINC000133483364 1125462213 /nfs/dbraw/zinc/46/22/13/1125462213.db2.gz DVGCBHQUKWEYNY-UHFFFAOYSA-N 0 1 285.815 3.683 20 10 CHCDMN Clc1cnc(Sc2nc(-c3ccccc3)n[nH]2)s1 ZINC000764999199 1118129539 /nfs/dbraw/zinc/12/95/39/1118129539.db2.gz AFTOQFDBJOLVCG-UHFFFAOYSA-N 0 1 294.792 3.733 20 10 CHCDMN CCOC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000113923138 1125496705 /nfs/dbraw/zinc/49/67/05/1125496705.db2.gz BMZKDLRIRCWBKD-HNNXBMFYSA-N 0 1 299.414 3.794 20 10 CHCDMN CCOC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000113923138 1125496708 /nfs/dbraw/zinc/49/67/08/1125496708.db2.gz BMZKDLRIRCWBKD-HNNXBMFYSA-N 0 1 299.414 3.794 20 10 CHCDMN CCOC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000113923138 1125496711 /nfs/dbraw/zinc/49/67/11/1125496711.db2.gz BMZKDLRIRCWBKD-HNNXBMFYSA-N 0 1 299.414 3.794 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001182574260 1122175872 /nfs/dbraw/zinc/17/58/72/1122175872.db2.gz LYXHEKBGNUTVCN-FZMZJTMJSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001182574260 1122175873 /nfs/dbraw/zinc/17/58/73/1122175873.db2.gz LYXHEKBGNUTVCN-FZMZJTMJSA-N 0 1 265.784 3.810 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CC2(C)C)c(Cl)c1 ZINC001183074291 1122201787 /nfs/dbraw/zinc/20/17/87/1122201787.db2.gz DIKSQLBZMIREMS-NSHDSACASA-N 0 1 267.800 3.832 20 10 CHCDMN C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000857081693 1123586049 /nfs/dbraw/zinc/58/60/49/1123586049.db2.gz QDOWEUBOKXSDPA-RKDXNWHRSA-N 0 1 275.726 3.742 20 10 CHCDMN COCC(C)(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000872105002 1124683637 /nfs/dbraw/zinc/68/36/37/1124683637.db2.gz XONAVMZLEMQINY-LLVKDONJSA-N 0 1 285.815 3.759 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001140465427 1131751500 /nfs/dbraw/zinc/75/15/00/1131751500.db2.gz NAGBPWHMYKRBBB-BXUZGUMPSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001140465427 1131751507 /nfs/dbraw/zinc/75/15/07/1131751507.db2.gz NAGBPWHMYKRBBB-BXUZGUMPSA-N 0 1 265.784 3.810 20 10 CHCDMN C[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451278 1132625036 /nfs/dbraw/zinc/62/50/36/1132625036.db2.gz DXUHNSWBYDVYPG-JTQLQIEISA-N 0 1 273.298 3.785 20 10 CHCDMN C[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451278 1132625041 /nfs/dbraw/zinc/62/50/41/1132625041.db2.gz DXUHNSWBYDVYPG-JTQLQIEISA-N 0 1 273.298 3.785 20 10 CHCDMN CC[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455195 1132625058 /nfs/dbraw/zinc/62/50/58/1132625058.db2.gz AIUFQSYHEHDKON-SNVBAGLBSA-N 0 1 273.298 3.643 20 10 CHCDMN CC[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455195 1132625065 /nfs/dbraw/zinc/62/50/65/1132625065.db2.gz AIUFQSYHEHDKON-SNVBAGLBSA-N 0 1 273.298 3.643 20 10 CHCDMN CC1(C)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000133934472 1125509840 /nfs/dbraw/zinc/50/98/40/1125509840.db2.gz WIWJMOCUAHZTRO-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN CC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134907005 1125569043 /nfs/dbraw/zinc/56/90/43/1125569043.db2.gz LNKNZSJWWUEJPU-RKDXNWHRSA-N 0 1 272.186 3.604 20 10 CHCDMN CCCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134902820 1125570155 /nfs/dbraw/zinc/57/01/55/1125570155.db2.gz ZBOMJKMKDKEUDH-VIFPVBQESA-N 0 1 272.186 3.605 20 10 CHCDMN CCOC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752229 1125583482 /nfs/dbraw/zinc/58/34/82/1125583482.db2.gz NJLRGPOFPCPBRI-SNVBAGLBSA-N 0 1 271.788 3.511 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000054495163 1125600402 /nfs/dbraw/zinc/60/04/02/1125600402.db2.gz LNGMLOMANYTXHO-AWEZNQCLSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000054495163 1125600404 /nfs/dbraw/zinc/60/04/04/1125600404.db2.gz LNGMLOMANYTXHO-AWEZNQCLSA-N 0 1 297.398 3.546 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2cc(C3CC3)no2)c(O)c1C ZINC000886684506 1125706637 /nfs/dbraw/zinc/70/66/37/1125706637.db2.gz MTKKMSLGDYIPHF-GFCCVEGCSA-N 0 1 286.375 3.725 20 10 CHCDMN CCN(C)c1ccc([C@H](C)NCc2cc(C3CC3)no2)cc1 ZINC000886684529 1125707137 /nfs/dbraw/zinc/70/71/37/1125707137.db2.gz NEKNNPAQAIIFGS-ZDUSSCGKSA-N 0 1 299.418 3.859 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1(C)CCCC1 ZINC000787337698 1130148300 /nfs/dbraw/zinc/14/83/00/1130148300.db2.gz PGIXRFUSKWQDNG-UHFFFAOYSA-N 0 1 271.763 3.949 20 10 CHCDMN CCC(O)(CC)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000788263565 1130178816 /nfs/dbraw/zinc/17/88/16/1130178816.db2.gz SOAMDSOEYCAJPE-LLVKDONJSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@](C)(NCc1cc(F)ccc1O)c1nc(C)cs1 ZINC000180753425 1126848731 /nfs/dbraw/zinc/84/87/31/1126848731.db2.gz OZRLURSJEFRPEE-HNNXBMFYSA-N 0 1 294.395 3.711 20 10 CHCDMN CC(C)c1csc(CN[C@H](C)c2cc(F)ccc2O)n1 ZINC000185808695 1126902794 /nfs/dbraw/zinc/90/27/94/1126902794.db2.gz CXNCHRJFYULUJQ-SNVBAGLBSA-N 0 1 294.395 3.962 20 10 CHCDMN C[C@H](Nc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1O ZINC000187858976 1126915775 /nfs/dbraw/zinc/91/57/75/1126915775.db2.gz GUCPDNYVEGAVNI-VIFPVBQESA-N 0 1 291.297 3.778 20 10 CHCDMN Oc1ccc(C(F)(F)F)cc1CN1CCC(F)(F)CC1 ZINC001237135691 1131053953 /nfs/dbraw/zinc/05/39/53/1131053953.db2.gz KZXRJTNXRNOQDZ-UHFFFAOYSA-N 0 1 295.251 3.642 20 10 CHCDMN Oc1ccc(F)c(Cl)c1C[N@H+]1CCCCC12CC2 ZINC001237130151 1131054743 /nfs/dbraw/zinc/05/47/43/1131054743.db2.gz KLPBCOUEAFLFGA-UHFFFAOYSA-N 0 1 269.747 3.703 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCCCC12CC2 ZINC001237130151 1131054745 /nfs/dbraw/zinc/05/47/45/1131054745.db2.gz KLPBCOUEAFLFGA-UHFFFAOYSA-N 0 1 269.747 3.703 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCCCC12CC2 ZINC001237130151 1131054752 /nfs/dbraw/zinc/05/47/52/1131054752.db2.gz KLPBCOUEAFLFGA-UHFFFAOYSA-N 0 1 269.747 3.703 20 10 CHCDMN C[C@H]1C[C@H](C)C[NH+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125460 1131056959 /nfs/dbraw/zinc/05/69/59/1131056959.db2.gz CAIZAZIZLJAFNK-UWVGGRQHSA-N 0 1 271.763 3.663 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000707133853 1127206532 /nfs/dbraw/zinc/20/65/32/1127206532.db2.gz FNRZWGFLAXCTAJ-JTQLQIEISA-N 0 1 284.197 3.529 20 10 CHCDMN CC[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707133853 1127206533 /nfs/dbraw/zinc/20/65/33/1127206533.db2.gz FNRZWGFLAXCTAJ-JTQLQIEISA-N 0 1 284.197 3.529 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707133853 1127206537 /nfs/dbraw/zinc/20/65/37/1127206537.db2.gz FNRZWGFLAXCTAJ-JTQLQIEISA-N 0 1 284.197 3.529 20 10 CHCDMN CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800144 1131141248 /nfs/dbraw/zinc/14/12/48/1131141248.db2.gz XWWNTYBKYXVPNA-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN CCC[N@H+](Cc1cc(F)cc(Cl)c1[O-])CC1CC1 ZINC001237810662 1131141896 /nfs/dbraw/zinc/14/18/96/1131141896.db2.gz STWWZGKWJPEWEG-UHFFFAOYSA-N 0 1 271.763 3.807 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCc2ccccc2C1 ZINC000158031823 1127415894 /nfs/dbraw/zinc/41/58/94/1127415894.db2.gz LHLYKEITKQRLCR-UHFFFAOYSA-N 0 1 287.790 3.994 20 10 CHCDMN CC1(C)CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226785678 1127425560 /nfs/dbraw/zinc/42/55/60/1127425560.db2.gz WBZQGGSLVGWZIH-ZDUSSCGKSA-N 0 1 298.224 3.823 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000168741007 1127464352 /nfs/dbraw/zinc/46/43/52/1127464352.db2.gz BYVWXUMUCATGPU-OBJOEFQTSA-N 0 1 255.361 3.852 20 10 CHCDMN Cc1nocc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000293584725 1127506900 /nfs/dbraw/zinc/50/69/00/1127506900.db2.gz NWYQCLVHYSPGAT-UHFFFAOYSA-N 0 1 299.418 3.509 20 10 CHCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CCCC1 ZINC000228607184 1127572008 /nfs/dbraw/zinc/57/20/08/1127572008.db2.gz CXDJQZYLDLRPHA-UHFFFAOYSA-N 0 1 283.799 3.819 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CCCC1 ZINC000228607184 1127572010 /nfs/dbraw/zinc/57/20/10/1127572010.db2.gz CXDJQZYLDLRPHA-UHFFFAOYSA-N 0 1 283.799 3.819 20 10 CHCDMN [O-]c1cc2c(cc1C[NH+]1CCCC1)oc1ccccc12 ZINC000915790312 1128338348 /nfs/dbraw/zinc/33/83/48/1128338348.db2.gz QEBVCTBKHNFTSE-UHFFFAOYSA-N 0 1 267.328 3.887 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc2cccnc21 ZINC000112017854 1128443024 /nfs/dbraw/zinc/44/30/24/1128443024.db2.gz ZBCADGTVDPZLMI-UHFFFAOYSA-N 0 1 298.773 3.884 20 10 CHCDMN C[C@H]1CC[C@@]2(CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)C1 ZINC000781585508 1128568738 /nfs/dbraw/zinc/56/87/38/1128568738.db2.gz GOYDXGNFMNBJGY-IFXJQAMLSA-N 0 1 296.414 3.953 20 10 CHCDMN C[C@H]1CC[C@@]2(CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)C1 ZINC000781585508 1128568743 /nfs/dbraw/zinc/56/87/43/1128568743.db2.gz GOYDXGNFMNBJGY-IFXJQAMLSA-N 0 1 296.414 3.953 20 10 CHCDMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(F)ccc1O ZINC000779018421 1128681915 /nfs/dbraw/zinc/68/19/15/1128681915.db2.gz LORPYQJJBZEUJC-TYNCELHUSA-N 0 1 263.356 3.684 20 10 CHCDMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(F)ccc1O ZINC000779018417 1128682044 /nfs/dbraw/zinc/68/20/44/1128682044.db2.gz LORPYQJJBZEUJC-JMSVASOKSA-N 0 1 263.356 3.684 20 10 CHCDMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(F)ccc1O ZINC000779018419 1128682084 /nfs/dbraw/zinc/68/20/84/1128682084.db2.gz LORPYQJJBZEUJC-LALPHHSUSA-N 0 1 263.356 3.684 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)[C@@H]1c1ccccc1 ZINC000779034654 1128691712 /nfs/dbraw/zinc/69/17/12/1128691712.db2.gz ZEMIKUJOUFPOHF-SJCJKPOMSA-N 0 1 271.335 3.724 20 10 CHCDMN CCN(CC)c1ccc(CNCc2ccoc2)cc1F ZINC000171832618 1128719746 /nfs/dbraw/zinc/71/97/46/1128719746.db2.gz HWSPRNPOXLJIBS-UHFFFAOYSA-N 0 1 276.355 3.555 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccns1 ZINC000858577897 1117811245 /nfs/dbraw/zinc/81/12/45/1117811245.db2.gz SEIHRKBYSSUFOR-RKDXNWHRSA-N 0 1 282.796 3.914 20 10 CHCDMN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185521470 1117833137 /nfs/dbraw/zinc/83/31/37/1117833137.db2.gz JRLBCKCZCXNKHY-IHRRRGAJSA-N 0 1 287.403 3.603 20 10 CHCDMN Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000073007032 1117863023 /nfs/dbraw/zinc/86/30/23/1117863023.db2.gz RPEBVAQKNCNUIU-MRVPVSSYSA-N 0 1 280.755 3.501 20 10 CHCDMN C[C@@H]1CCCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000705476319 1117973141 /nfs/dbraw/zinc/97/31/41/1117973141.db2.gz IVWLSLRUMCCUNK-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@@H]1CCCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000705476319 1117973143 /nfs/dbraw/zinc/97/31/43/1117973143.db2.gz IVWLSLRUMCCUNK-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN COc1cc(C)ccc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000765608798 1118182467 /nfs/dbraw/zinc/18/24/67/1118182467.db2.gz KXZSGRNFXZBDGD-CQSZACIVSA-N 0 1 297.398 3.789 20 10 CHCDMN CC(C)OC1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186160754 1118203200 /nfs/dbraw/zinc/20/32/00/1118203200.db2.gz PAUZXLMRPWQJCO-GRTSSRMGSA-N 0 1 295.398 3.918 20 10 CHCDMN CC(C)OC1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186160772 1118203529 /nfs/dbraw/zinc/20/35/29/1118203529.db2.gz PAUZXLMRPWQJCO-LRVUVFPRSA-N 0 1 295.398 3.918 20 10 CHCDMN CCOc1ccccc1CNCc1ccc2c(c1)CCCO2 ZINC001648892461 1118273217 /nfs/dbraw/zinc/27/32/17/1118273217.db2.gz CARBYKMRDOSAAQ-UHFFFAOYSA-N 0 1 297.398 3.700 20 10 CHCDMN [O-]c1ccc2oc3c(c2c1C[NH+]1CCCC1)CCCC3 ZINC000048619055 1118418595 /nfs/dbraw/zinc/41/85/95/1118418595.db2.gz MOSUGBYUGYSCIW-UHFFFAOYSA-N 0 1 271.360 3.613 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCOCCC(C)C)c(Cl)c1 ZINC001661178480 1118506331 /nfs/dbraw/zinc/50/63/31/1118506331.db2.gz GWCKDAJGOHRGME-UHFFFAOYSA-N 0 1 285.815 3.506 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Br)C1CCCCC1 ZINC000707145004 1118647801 /nfs/dbraw/zinc/64/78/01/1118647801.db2.gz DGWWJFIIYGEKIQ-UHFFFAOYSA-N 0 1 298.224 3.919 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Br)C1CCCCC1 ZINC000707145004 1118647802 /nfs/dbraw/zinc/64/78/02/1118647802.db2.gz DGWWJFIIYGEKIQ-UHFFFAOYSA-N 0 1 298.224 3.919 20 10 CHCDMN CC[C@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000707145498 1118648164 /nfs/dbraw/zinc/64/81/64/1118648164.db2.gz GLXPAGVLPWBOCL-NSHDSACASA-N 0 1 298.224 3.919 20 10 CHCDMN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707145498 1118648166 /nfs/dbraw/zinc/64/81/66/1118648166.db2.gz GLXPAGVLPWBOCL-NSHDSACASA-N 0 1 298.224 3.919 20 10 CHCDMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707145498 1118648167 /nfs/dbraw/zinc/64/81/67/1118648167.db2.gz GLXPAGVLPWBOCL-NSHDSACASA-N 0 1 298.224 3.919 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000386462292 1118850528 /nfs/dbraw/zinc/85/05/28/1118850528.db2.gz GCKYHFHYFOKYRB-RYUDHWBXSA-N 0 1 265.784 3.668 20 10 CHCDMN CCOC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000044688699 1119058471 /nfs/dbraw/zinc/05/84/71/1119058471.db2.gz BCMSXMJWMBZVSL-QWHCGFSZSA-N 0 1 273.376 3.621 20 10 CHCDMN C[C@@H]1CCC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000226646785 1119256048 /nfs/dbraw/zinc/25/60/48/1119256048.db2.gz KJJDTBUTIJDDQR-NEPJUHHUSA-N 0 1 267.800 3.962 20 10 CHCDMN CC(C)C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000227832523 1119308226 /nfs/dbraw/zinc/30/82/26/1119308226.db2.gz DKZPJOOGZKHSDA-UHFFFAOYSA-N 0 1 253.773 3.571 20 10 CHCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708401471 1119437449 /nfs/dbraw/zinc/43/74/49/1119437449.db2.gz TWFVUBLVWHQVNF-NSHDSACASA-N 0 1 269.335 3.538 20 10 CHCDMN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(Cl)cc1[O-] ZINC000850536157 1119973115 /nfs/dbraw/zinc/97/31/15/1119973115.db2.gz HPMWFPDXXMFWGO-UFBFGSQYSA-N 0 1 275.726 3.742 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC(C1CC1)C1CC1 ZINC000088456146 1120038365 /nfs/dbraw/zinc/03/83/65/1120038365.db2.gz JOXGDVIQFCZZMS-UHFFFAOYSA-N 0 1 265.784 3.571 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695095225 1120104739 /nfs/dbraw/zinc/10/47/39/1120104739.db2.gz FDIMKTNXBOTFRD-VIFPVBQESA-N 0 1 275.726 3.713 20 10 CHCDMN Cc1cccc(C)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000132120878 1120352467 /nfs/dbraw/zinc/35/24/67/1120352467.db2.gz MQQFRRHNIRKUQW-UHFFFAOYSA-N 0 1 275.779 3.952 20 10 CHCDMN C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CC1 ZINC000756483698 1120372501 /nfs/dbraw/zinc/37/25/01/1120372501.db2.gz VJVUJXODGHUSDO-BREBYQMCSA-N 0 1 263.356 3.715 20 10 CHCDMN C[C@@H]1CC[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000230413681 1120506518 /nfs/dbraw/zinc/50/65/18/1120506518.db2.gz LQWVOCHDNKXHDO-GHMZBOCLSA-N 0 1 253.773 3.571 20 10 CHCDMN CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756565185 1120531569 /nfs/dbraw/zinc/53/15/69/1120531569.db2.gz WIJFHZXBQPGNHH-JSGCOSHPSA-N 0 1 296.842 3.571 20 10 CHCDMN CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756606152 1120595298 /nfs/dbraw/zinc/59/52/98/1120595298.db2.gz VXBMAZZACBQRHO-LRDDRELGSA-N 0 1 299.842 3.883 20 10 CHCDMN CC1(C2([NH2+]Cc3cc(Br)ccc3[O-])CC2)CC1 ZINC000398228936 1120596381 /nfs/dbraw/zinc/59/63/81/1120596381.db2.gz WXDLDWVYXZLOFH-UHFFFAOYSA-N 0 1 296.208 3.577 20 10 CHCDMN COc1ccc(CN[C@@H]2CCCc3cccnc32)cc1C ZINC000922886257 1120630830 /nfs/dbraw/zinc/63/08/30/1120630830.db2.gz YYPWBMXAEGMVOK-MRXNPFEDSA-N 0 1 282.387 3.566 20 10 CHCDMN COCC(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000314001948 1120842989 /nfs/dbraw/zinc/84/29/89/1120842989.db2.gz ZJZTVHZEEBOIMY-ZDUSSCGKSA-N 0 1 287.403 3.869 20 10 CHCDMN CCC[N@@H+](Cc1ccsc1)Cc1ccccc1O ZINC000092705069 1120964256 /nfs/dbraw/zinc/96/42/56/1120964256.db2.gz QNKNLLXBHQHPGX-UHFFFAOYSA-N 0 1 261.390 3.866 20 10 CHCDMN Cc1ccsc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000773409394 1121046288 /nfs/dbraw/zinc/04/62/88/1121046288.db2.gz MFHVLUSWWXJHGC-UHFFFAOYSA-N 0 1 281.808 3.748 20 10 CHCDMN C[C@@H](F)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000702624685 1121206337 /nfs/dbraw/zinc/20/63/37/1121206337.db2.gz XCGMDEOENOIJOI-NEPJUHHUSA-N 0 1 261.340 3.944 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001237123798 1128982025 /nfs/dbraw/zinc/98/20/25/1128982025.db2.gz LGCPLBWEMYMJSA-QWRGUYRKSA-N 0 1 283.774 3.807 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001237123798 1128982028 /nfs/dbraw/zinc/98/20/28/1128982028.db2.gz LGCPLBWEMYMJSA-QWRGUYRKSA-N 0 1 283.774 3.807 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001137837759 1121405588 /nfs/dbraw/zinc/40/55/88/1121405588.db2.gz TWZDCFPZOYRIAL-INIZCTEOSA-N 0 1 271.335 3.868 20 10 CHCDMN COc1ccccc1[C@H](C)[N@@H+](C)Cc1c([O-])cccc1F ZINC001137839040 1121425734 /nfs/dbraw/zinc/42/57/34/1121425734.db2.gz OXUIMAJXSXJMCK-LBPRGKRZSA-N 0 1 289.350 3.733 20 10 CHCDMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893947248 1121444716 /nfs/dbraw/zinc/44/47/16/1121444716.db2.gz VKZXXVJVXOOXNM-VIFPVBQESA-N 0 1 283.343 3.925 20 10 CHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCCC12CC2 ZINC000706932469 1121445993 /nfs/dbraw/zinc/44/59/93/1121445993.db2.gz BEPORTMFYKTNMR-CYBMUJFWSA-N 0 1 296.208 3.577 20 10 CHCDMN CCn1ccnc1CN(Cc1ccccc1O)C1CCCC1 ZINC000732204420 1121913170 /nfs/dbraw/zinc/91/31/70/1121913170.db2.gz KZOOSTXFXVZCDS-UHFFFAOYSA-N 0 1 299.418 3.553 20 10 CHCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCc2ccccc21 ZINC001180531718 1121995091 /nfs/dbraw/zinc/99/50/91/1121995091.db2.gz JIKQTRICQXYDKH-MRXNPFEDSA-N 0 1 289.325 3.790 20 10 CHCDMN CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001180602034 1122002483 /nfs/dbraw/zinc/00/24/83/1122002483.db2.gz FKZSRPGLKOHNBU-SNVBAGLBSA-N 0 1 281.705 3.866 20 10 CHCDMN C[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1(C)C ZINC001180673489 1122004377 /nfs/dbraw/zinc/00/43/77/1122004377.db2.gz OLAOFOVTMCWWLH-LBPRGKRZSA-N 0 1 296.405 3.899 20 10 CHCDMN CCOC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC001182284857 1122130780 /nfs/dbraw/zinc/13/07/80/1122130780.db2.gz IXIIYQWPKPGIJO-ZDUSSCGKSA-N 0 1 297.826 3.745 20 10 CHCDMN CCOC[C@@H]1CCCC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC001182284857 1122130782 /nfs/dbraw/zinc/13/07/82/1122130782.db2.gz IXIIYQWPKPGIJO-ZDUSSCGKSA-N 0 1 297.826 3.745 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC001182684098 1122182897 /nfs/dbraw/zinc/18/28/97/1122182897.db2.gz JQSHMMCAZGMGIM-UONOGXRCSA-N 0 1 265.784 3.714 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CC2(C)C)c(Cl)c1 ZINC001183074291 1122201785 /nfs/dbraw/zinc/20/17/85/1122201785.db2.gz DIKSQLBZMIREMS-NSHDSACASA-N 0 1 267.800 3.832 20 10 CHCDMN C[C@@H](C[N@H+](C)Cc1c([O-])cccc1Cl)c1nccs1 ZINC000273150053 1122222120 /nfs/dbraw/zinc/22/21/20/1122222120.db2.gz HKVCDFXDLKYUTO-JTQLQIEISA-N 0 1 296.823 3.738 20 10 CHCDMN C[C@@H](C[N@@H+](C)Cc1c([O-])cccc1Cl)c1nccs1 ZINC000273150053 1122222121 /nfs/dbraw/zinc/22/21/21/1122222121.db2.gz HKVCDFXDLKYUTO-JTQLQIEISA-N 0 1 296.823 3.738 20 10 CHCDMN CC[C@@H](N[C@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000285826933 1122523860 /nfs/dbraw/zinc/52/38/60/1122523860.db2.gz XLSUEYXHHGOMSL-QMTHXVAHSA-N 0 1 292.329 3.867 20 10 CHCDMN CC[C@@H]([NH2+]Cc1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775489770 1122620256 /nfs/dbraw/zinc/62/02/56/1122620256.db2.gz SBERKTNJKQQFQI-CQSZACIVSA-N 0 1 294.782 3.891 20 10 CHCDMN CC[C@H]([NH2+]CC(O)(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775496625 1122626568 /nfs/dbraw/zinc/62/65/68/1122626568.db2.gz LAXOQUBVLIAWDP-ZDUSSCGKSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775501739 1122628947 /nfs/dbraw/zinc/62/89/47/1122628947.db2.gz KTDWBYZGDNWZGU-ABAIWWIYSA-N 0 1 296.842 3.569 20 10 CHCDMN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503608 1122631290 /nfs/dbraw/zinc/63/12/90/1122631290.db2.gz KSEDVZKPZXCNHT-PJODQICGSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775514391 1122635759 /nfs/dbraw/zinc/63/57/59/1122635759.db2.gz USSYYNJNVLJBQC-IAQYHMDHSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775527707 1122644403 /nfs/dbraw/zinc/64/44/03/1122644403.db2.gz SQLCFLJYCFDGOR-BXUZGUMPSA-N 0 1 299.842 3.883 20 10 CHCDMN COCC1(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000293635002 1122716005 /nfs/dbraw/zinc/71/60/05/1122716005.db2.gz GUIVITJSOSBSIF-GFCCVEGCSA-N 0 1 297.826 3.903 20 10 CHCDMN Cc1csc([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)n1 ZINC000080270210 1129079531 /nfs/dbraw/zinc/07/95/31/1129079531.db2.gz DUMGTTJHONUXDT-NWDGAFQWSA-N 0 1 276.405 3.877 20 10 CHCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775648357 1122860227 /nfs/dbraw/zinc/86/02/27/1122860227.db2.gz FGRCBDRZCIMZOI-SECBINFHSA-N 0 1 283.730 3.971 20 10 CHCDMN CCC[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCCO1 ZINC000775680881 1122900992 /nfs/dbraw/zinc/90/09/92/1122900992.db2.gz KBENSJHVUBRJTE-CQSZACIVSA-N 0 1 297.826 3.827 20 10 CHCDMN Cc1cc(Cl)cc(C[N@H+]2CCC(C)(C)C2)c1O ZINC000775691469 1122912313 /nfs/dbraw/zinc/91/23/13/1122912313.db2.gz XXGBHOJJLZVZAP-UHFFFAOYSA-N 0 1 253.773 3.586 20 10 CHCDMN CC(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737847 1122931182 /nfs/dbraw/zinc/93/11/82/1122931182.db2.gz UEKVOTSUZCWHIC-SNVBAGLBSA-N 0 1 271.763 3.663 20 10 CHCDMN CC(C)[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775764929 1122950263 /nfs/dbraw/zinc/95/02/63/1122950263.db2.gz LWEHWZGBTAEOJY-LBPRGKRZSA-N 0 1 274.191 3.929 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC=CCC2)c(Cl)c1 ZINC001199843510 1123042474 /nfs/dbraw/zinc/04/24/74/1123042474.db2.gz NVPSGOBLVBGGAO-LBPRGKRZSA-N 0 1 265.784 3.800 20 10 CHCDMN COc1cccc(Cl)c1CN[C@@H](C)c1ccccc1O ZINC000188281453 1123056425 /nfs/dbraw/zinc/05/64/25/1123056425.db2.gz FUQAYSMZGHXYGZ-NSHDSACASA-N 0 1 291.778 3.905 20 10 CHCDMN Cc1ccncc1CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850506335 1123275910 /nfs/dbraw/zinc/27/59/10/1123275910.db2.gz IYGIITASDCUEHU-LBPRGKRZSA-N 0 1 290.794 3.642 20 10 CHCDMN CC[C@H]([NH2+][C@H]1C=CCC1)c1cc(Cl)ccc1[O-] ZINC000850510351 1123278279 /nfs/dbraw/zinc/27/82/79/1123278279.db2.gz SUDWVOKEVOCSAA-AAEUAGOBSA-N 0 1 251.757 3.805 20 10 CHCDMN CC[C@@H]([NH2+]CC1CCC(O)CC1)c1cc(Cl)ccc1[O-] ZINC000850553699 1123290692 /nfs/dbraw/zinc/29/06/92/1123290692.db2.gz AVYGLUGQZMOACM-ABIUDSBCSA-N 0 1 297.826 3.637 20 10 CHCDMN COc1ccc(CN(C)Cc2ccccc2O)c(Cl)c1 ZINC000749840177 1123393513 /nfs/dbraw/zinc/39/35/13/1123393513.db2.gz JRPMZSVQRDUSDX-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN CCn1nccc1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000853241457 1123428792 /nfs/dbraw/zinc/42/87/92/1123428792.db2.gz VKSISULCOOIVLX-ZDUSSCGKSA-N 0 1 295.386 3.613 20 10 CHCDMN Oc1ccccc1C[N@@H+](C[C@@H]1CCC=CO1)C1CCCC1 ZINC000193932659 1129125841 /nfs/dbraw/zinc/12/58/41/1129125841.db2.gz RQNXEOKCOAAUGX-KRWDZBQOSA-N 0 1 287.403 3.830 20 10 CHCDMN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858086655 1123629768 /nfs/dbraw/zinc/62/97/68/1123629768.db2.gz LXEBPPPKWBVMDU-LBPRGKRZSA-N 0 1 290.357 3.882 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000858547931 1123661646 /nfs/dbraw/zinc/66/16/46/1123661646.db2.gz PMBBZLVKFDWNIU-IVMMDQJWSA-N 0 1 295.810 3.654 20 10 CHCDMN CCCCN(Cc1nc(C)c(C)[nH]1)Cc1ccccc1O ZINC000862354906 1123801200 /nfs/dbraw/zinc/80/12/00/1123801200.db2.gz AECYHCRTBYOPPM-UHFFFAOYSA-N 0 1 287.407 3.534 20 10 CHCDMN CCC(O)(CC)C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000862538687 1123818159 /nfs/dbraw/zinc/81/81/59/1123818159.db2.gz CPNHVNMDZFUDRE-UHFFFAOYSA-N 0 1 287.403 3.528 20 10 CHCDMN CCC(O)(CC)C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000862538687 1123818165 /nfs/dbraw/zinc/81/81/65/1123818165.db2.gz CPNHVNMDZFUDRE-UHFFFAOYSA-N 0 1 287.403 3.528 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H](C)CCOC)c1cc(Cl)ccc1[O-] ZINC000840836222 1123838310 /nfs/dbraw/zinc/83/83/10/1123838310.db2.gz VWEFAKUCUYVICX-BXUZGUMPSA-N 0 1 285.815 3.759 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000840860256 1123861754 /nfs/dbraw/zinc/86/17/54/1123861754.db2.gz RHFJDUAXUNLQJU-YWVKMMECSA-N 0 1 271.813 3.590 20 10 CHCDMN Cc1c(NCc2ccc(F)c(F)c2O)cccc1N(C)C ZINC000864010120 1123909517 /nfs/dbraw/zinc/90/95/17/1123909517.db2.gz MHBNGNUGGUOUEE-UHFFFAOYSA-N 0 1 292.329 3.657 20 10 CHCDMN CCOc1ccc(NCc2ccc(F)c(F)c2O)cc1F ZINC000864020188 1123910906 /nfs/dbraw/zinc/91/09/06/1123910906.db2.gz IYNWGPOTQZQJQN-UHFFFAOYSA-N 0 1 297.276 3.820 20 10 CHCDMN CCOc1cc(NCc2ccc(F)c(F)c2O)ccc1C ZINC000864035548 1123912622 /nfs/dbraw/zinc/91/26/22/1123912622.db2.gz CDQSXFKSOWBYRE-UHFFFAOYSA-N 0 1 293.313 3.990 20 10 CHCDMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000763648099 1129155001 /nfs/dbraw/zinc/15/50/01/1129155001.db2.gz QEBIJSCWGXKCMX-NSHDSACASA-N 0 1 265.784 3.810 20 10 CHCDMN CCC[C@H](NCc1ccc2c(c1)CCO2)c1cc(C)ccn1 ZINC000866252624 1124042731 /nfs/dbraw/zinc/04/27/31/1124042731.db2.gz MIFWKAHCYPNQLA-KRWDZBQOSA-N 0 1 296.414 3.956 20 10 CHCDMN C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CS1 ZINC000840958948 1124042987 /nfs/dbraw/zinc/04/29/87/1124042987.db2.gz POTYWRHVJNRHKI-SMDDNHRTSA-N 0 1 273.401 3.529 20 10 CHCDMN CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000866414757 1124064746 /nfs/dbraw/zinc/06/47/46/1124064746.db2.gz KKPDLQKPWVHRRL-DZGCQCFKSA-N 0 1 287.403 3.747 20 10 CHCDMN C[C@H](N[C@H](CF)c1ccc(F)cc1)c1ccccc1O ZINC000866597213 1124085794 /nfs/dbraw/zinc/08/57/94/1124085794.db2.gz ZDVBBEOXCJWVFN-XHDPSFHLSA-N 0 1 277.314 3.893 20 10 CHCDMN CCc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000122486020 1124504122 /nfs/dbraw/zinc/50/41/22/1124504122.db2.gz XXXCHXHDBNAUSN-GFCCVEGCSA-N 0 1 290.382 3.898 20 10 CHCDMN CC(C)(NCc1ccc(N)cc1)c1ccc(F)cc1F ZINC001120372062 1131275042 /nfs/dbraw/zinc/27/50/42/1131275042.db2.gz YFFLBEAZFWQONP-UHFFFAOYSA-N 0 1 276.330 3.572 20 10 CHCDMN Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000872132360 1124691707 /nfs/dbraw/zinc/69/17/07/1124691707.db2.gz FFJWYZHNCOFLNA-MWLCHTKSSA-N 0 1 291.782 3.556 20 10 CHCDMN Cc1n[nH]c(C)c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000124086020 1124715591 /nfs/dbraw/zinc/71/55/91/1124715591.db2.gz YQOWFOYGSTXUCI-UHFFFAOYSA-N 0 1 299.418 3.677 20 10 CHCDMN CCc1cccc(CN[C@H](CF)c2ccc(F)cc2)c1O ZINC000877758472 1125073937 /nfs/dbraw/zinc/07/39/37/1125073937.db2.gz CEMVJHAIUBEORU-MRXNPFEDSA-N 0 1 291.341 3.894 20 10 CHCDMN Cc1ccc(CN[C@@H](CF)c2ccc(F)cc2)c(O)c1 ZINC000877758525 1125074062 /nfs/dbraw/zinc/07/40/62/1125074062.db2.gz HFCOJXHNFWQPPU-HNNXBMFYSA-N 0 1 277.314 3.640 20 10 CHCDMN CCCc1ncc(CNCc2cc(Cl)c(C)cc2O)o1 ZINC000826089602 1125193744 /nfs/dbraw/zinc/19/37/44/1125193744.db2.gz KTPKAAVIHAPHAB-UHFFFAOYSA-N 0 1 294.782 3.584 20 10 CHCDMN CCC(CC)n1ccc(CN[C@H](C)c2ccccc2O)n1 ZINC000879648949 1125222666 /nfs/dbraw/zinc/22/26/66/1125222666.db2.gz GUOWEVWTXODHGQ-CYBMUJFWSA-N 0 1 287.407 3.801 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCc2ccccc2C1 ZINC000211486143 1125306940 /nfs/dbraw/zinc/30/69/40/1125306940.db2.gz PKGXQWNXWQFBIE-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCc2ccccc2C1 ZINC000211486143 1125306944 /nfs/dbraw/zinc/30/69/44/1125306944.db2.gz PKGXQWNXWQFBIE-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN Oc1ccccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000131579987 1125398346 /nfs/dbraw/zinc/39/83/46/1125398346.db2.gz MLUMHDVBAMGOSR-MRXNPFEDSA-N 0 1 253.345 3.729 20 10 CHCDMN C[C@H]1C[C@H](C)C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000131818652 1125410666 /nfs/dbraw/zinc/41/06/66/1125410666.db2.gz CHEPATDYEKKAMP-QWRGUYRKSA-N 0 1 253.773 3.524 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000132152058 1125415432 /nfs/dbraw/zinc/41/54/32/1125415432.db2.gz PZEHMLIGEHXSOZ-UHFFFAOYSA-N 0 1 253.773 3.810 20 10 CHCDMN COc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000037771077 1129267740 /nfs/dbraw/zinc/26/77/40/1129267740.db2.gz IMKXWWBTSGCJAD-LLVKDONJSA-N 0 1 291.778 3.905 20 10 CHCDMN C[C@H](NCc1nc2c(s1)CCCC2)c1ccccc1O ZINC000719528190 1129342663 /nfs/dbraw/zinc/34/26/63/1129342663.db2.gz QREPXMMJPRWCNT-NSHDSACASA-N 0 1 288.416 3.578 20 10 CHCDMN CC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000738257255 1129391552 /nfs/dbraw/zinc/39/15/52/1129391552.db2.gz VQYOTGVQTMKCEY-AWEZNQCLSA-N 0 1 284.403 3.953 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000738257255 1129391555 /nfs/dbraw/zinc/39/15/55/1129391555.db2.gz VQYOTGVQTMKCEY-AWEZNQCLSA-N 0 1 284.403 3.953 20 10 CHCDMN CCO[C@H](CC[NH2+]Cc1c([O-])cccc1Cl)C(C)C ZINC000746053445 1129624358 /nfs/dbraw/zinc/62/43/58/1129624358.db2.gz PXZFMSFMTFCCDW-OAHLLOKOSA-N 0 1 285.815 3.586 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000097814917 1129629984 /nfs/dbraw/zinc/62/99/84/1129629984.db2.gz YSERRPMMHCTHGS-PHIMTYICSA-N 0 1 298.224 3.918 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000097814917 1129629985 /nfs/dbraw/zinc/62/99/85/1129629985.db2.gz YSERRPMMHCTHGS-PHIMTYICSA-N 0 1 298.224 3.918 20 10 CHCDMN Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000796528333 1129775338 /nfs/dbraw/zinc/77/53/38/1129775338.db2.gz RJWBHYMSLDTIIW-UHFFFAOYSA-N 0 1 294.782 3.675 20 10 CHCDMN Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000768199819 1129839632 /nfs/dbraw/zinc/83/96/32/1129839632.db2.gz ZITJNQYMTMYDNE-HNNXBMFYSA-N 0 1 290.794 3.721 20 10 CHCDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000768199819 1129839635 /nfs/dbraw/zinc/83/96/35/1129839635.db2.gz ZITJNQYMTMYDNE-HNNXBMFYSA-N 0 1 290.794 3.721 20 10 CHCDMN COc1cccc(O)c1CN(C)Cc1ccc(Cl)s1 ZINC000768193821 1129842482 /nfs/dbraw/zinc/84/24/82/1129842482.db2.gz RICIQDSLOLCBMD-UHFFFAOYSA-N 0 1 297.807 3.748 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+](C1CC1)C1CCCC1 ZINC000768252766 1129846426 /nfs/dbraw/zinc/84/64/26/1129846426.db2.gz OZUBRPXWGXDRAJ-UHFFFAOYSA-N 0 1 265.784 3.953 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+](C1CC1)C1CCCC1 ZINC000768252766 1129846433 /nfs/dbraw/zinc/84/64/33/1129846433.db2.gz OZUBRPXWGXDRAJ-UHFFFAOYSA-N 0 1 265.784 3.953 20 10 CHCDMN CC[N@@H+](Cc1ccccc1C)Cc1c(O)cccc1OC ZINC000768334382 1129851071 /nfs/dbraw/zinc/85/10/71/1129851071.db2.gz GSCMBYGICSPQMQ-UHFFFAOYSA-N 0 1 285.387 3.731 20 10 CHCDMN CCOc1ccc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c([O-])c1 ZINC000768533360 1129860841 /nfs/dbraw/zinc/86/08/41/1129860841.db2.gz VTWWXQNEIFEFCN-LBPRGKRZSA-N 0 1 275.392 3.554 20 10 CHCDMN CCOc1ccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c([O-])c1 ZINC000768533360 1129860846 /nfs/dbraw/zinc/86/08/46/1129860846.db2.gz VTWWXQNEIFEFCN-LBPRGKRZSA-N 0 1 275.392 3.554 20 10 CHCDMN CC(C)C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000768531758 1129861754 /nfs/dbraw/zinc/86/17/54/1129861754.db2.gz BKFYKNQVWCNKBH-UHFFFAOYSA-N 0 1 298.770 3.574 20 10 CHCDMN CC(C)[N@@H+](Cc1c([O-])cccc1Cl)CC1CC1 ZINC000768675804 1129865714 /nfs/dbraw/zinc/86/57/14/1129865714.db2.gz VVYIADKTIGKXJR-UHFFFAOYSA-N 0 1 253.773 3.666 20 10 CHCDMN CC(C)[N@H+](Cc1c([O-])cccc1Cl)CC1CC1 ZINC000768675804 1129865721 /nfs/dbraw/zinc/86/57/21/1129865721.db2.gz VVYIADKTIGKXJR-UHFFFAOYSA-N 0 1 253.773 3.666 20 10 CHCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C1Cc2ccccc2C1 ZINC000769033733 1129886527 /nfs/dbraw/zinc/88/65/27/1129886527.db2.gz NEASIQBAGDSYKK-UHFFFAOYSA-N 0 1 287.790 3.645 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1Cc2ccccc2C1 ZINC000769033733 1129886535 /nfs/dbraw/zinc/88/65/35/1129886535.db2.gz NEASIQBAGDSYKK-UHFFFAOYSA-N 0 1 287.790 3.645 20 10 CHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccsc2)c1[O-] ZINC000801570621 1129928084 /nfs/dbraw/zinc/92/80/84/1129928084.db2.gz STFHOLIIMFCMBX-VIFPVBQESA-N 0 1 293.363 3.646 20 10 CHCDMN C[N@H+](Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000771926119 1129995270 /nfs/dbraw/zinc/99/52/70/1129995270.db2.gz BGEDNJKKZKIZMU-UHFFFAOYSA-N 0 1 261.752 3.678 20 10 CHCDMN C[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000771926119 1129995272 /nfs/dbraw/zinc/99/52/72/1129995272.db2.gz BGEDNJKKZKIZMU-UHFFFAOYSA-N 0 1 261.752 3.678 20 10 CHCDMN [O-]c1ccccc1C[N@H+](CC[C@@H]1CCCO1)C1CCCC1 ZINC000787244629 1130140841 /nfs/dbraw/zinc/14/08/41/1130140841.db2.gz AOIQOKQDDGFBIM-KRWDZBQOSA-N 0 1 289.419 3.706 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](CC[C@@H]1CCCO1)C1CCCC1 ZINC000787244629 1130140845 /nfs/dbraw/zinc/14/08/45/1130140845.db2.gz AOIQOKQDDGFBIM-KRWDZBQOSA-N 0 1 289.419 3.706 20 10 CHCDMN COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000903329953 1130157069 /nfs/dbraw/zinc/15/70/69/1130157069.db2.gz GECRHBNATDHQHW-NXEZZACHSA-N 0 1 271.788 3.510 20 10 CHCDMN COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000903329954 1130157222 /nfs/dbraw/zinc/15/72/22/1130157222.db2.gz GECRHBNATDHQHW-UWVGGRQHSA-N 0 1 271.788 3.510 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1cc(Cl)ccc1[O-] ZINC000903382833 1130169208 /nfs/dbraw/zinc/16/92/08/1130169208.db2.gz JNOJYQNMXKXHNQ-ABAIWWIYSA-N 0 1 295.810 3.798 20 10 CHCDMN C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccc2ccccc2c1[O-] ZINC000903438835 1130176961 /nfs/dbraw/zinc/17/69/61/1130176961.db2.gz XPEDSEDGSCOSGK-JBBXEZCESA-N 0 1 297.398 3.621 20 10 CHCDMN CC[C@H]([NH2+]CCOC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000788978946 1130224202 /nfs/dbraw/zinc/22/42/02/1130224202.db2.gz CJXOREGVTXDARD-JTQLQIEISA-N 0 1 297.704 3.623 20 10 CHCDMN CCc1ccc(C)nc1NCc1cccc(C)c1O ZINC000826911346 1130309945 /nfs/dbraw/zinc/30/99/45/1130309945.db2.gz XCPQHFDPQUTCHV-UHFFFAOYSA-N 0 1 256.349 3.579 20 10 CHCDMN CC(C)N(Cc1c(O)ccc(Cl)c1F)CC(F)F ZINC000792173439 1130436439 /nfs/dbraw/zinc/43/64/39/1130436439.db2.gz WGIRIVDFVMWIST-UHFFFAOYSA-N 0 1 281.705 3.660 20 10 CHCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)[C@H]1C1CC1 ZINC000811513991 1130620383 /nfs/dbraw/zinc/62/03/83/1130620383.db2.gz YWWKIGLCNKZTFL-AWEZNQCLSA-N 0 1 265.784 3.666 20 10 CHCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)[C@H]1C1CC1 ZINC000811513991 1130620386 /nfs/dbraw/zinc/62/03/86/1130620386.db2.gz YWWKIGLCNKZTFL-AWEZNQCLSA-N 0 1 265.784 3.666 20 10 CHCDMN Oc1c(Cl)cccc1CNc1cc2c(cn1)CCCC2 ZINC000812782360 1130713912 /nfs/dbraw/zinc/71/39/12/1130713912.db2.gz WWJZGDMSJWJSHB-UHFFFAOYSA-N 0 1 288.778 3.932 20 10 CHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000781895504 1130745171 /nfs/dbraw/zinc/74/51/71/1130745171.db2.gz UHGJYEFPENYHIO-NSHDSACASA-N 0 1 298.224 3.838 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]2CCCC[C@H]12 ZINC000782274315 1130767614 /nfs/dbraw/zinc/76/76/14/1130767614.db2.gz AMVMHJPMYYANNE-SIIHOXLZSA-N 0 1 296.414 3.951 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]2CCCC[C@H]12 ZINC000782274315 1130767617 /nfs/dbraw/zinc/76/76/17/1130767617.db2.gz AMVMHJPMYYANNE-SIIHOXLZSA-N 0 1 296.414 3.951 20 10 CHCDMN [O-]c1ccccc1C[N@H+](CC[C@@H]1CCOC1)C1CCCC1 ZINC000783565523 1130837626 /nfs/dbraw/zinc/83/76/26/1130837626.db2.gz BQGFBWVFXPDGBT-OAHLLOKOSA-N 0 1 289.419 3.563 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](CC[C@@H]1CCOC1)C1CCCC1 ZINC000783565523 1130837630 /nfs/dbraw/zinc/83/76/30/1130837630.db2.gz BQGFBWVFXPDGBT-OAHLLOKOSA-N 0 1 289.419 3.563 20 10 CHCDMN CC(C)(C)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000784034276 1130871696 /nfs/dbraw/zinc/87/16/96/1130871696.db2.gz VEVSSJGGRYJRRL-AWEZNQCLSA-N 0 1 284.403 3.808 20 10 CHCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000784034276 1130871704 /nfs/dbraw/zinc/87/17/04/1130871704.db2.gz VEVSSJGGRYJRRL-AWEZNQCLSA-N 0 1 284.403 3.808 20 10 CHCDMN CS[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C(C)(C)C ZINC000784626410 1130912908 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C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CCSCC1 ZINC000846055876 1131685677 /nfs/dbraw/zinc/68/56/77/1131685677.db2.gz RBTBGLODWYNRFV-JTQLQIEISA-N 0 1 285.840 3.667 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000846056655 1131685692 /nfs/dbraw/zinc/68/56/92/1131685692.db2.gz WAZZXUKVKUOITR-UHFFFAOYSA-N 0 1 295.810 3.627 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001140338769 1131702990 /nfs/dbraw/zinc/70/29/90/1131702990.db2.gz OZPNFNVEFAONOQ-AOOOYVTPSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001140338769 1131702991 /nfs/dbraw/zinc/70/29/91/1131702991.db2.gz OZPNFNVEFAONOQ-AOOOYVTPSA-N 0 1 287.737 3.523 20 10 CHCDMN Oc1cccc2c1[C@H](Nc1cc3c(cn1)CCCC3)CC2 ZINC000834807406 1131706886 /nfs/dbraw/zinc/70/68/86/1131706886.db2.gz PBYAUAUFSRYOJL-OAHLLOKOSA-N 0 1 280.371 3.765 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)CCCCO)c1cc(Cl)ccc1[O-] ZINC000834877169 1131716566 /nfs/dbraw/zinc/71/65/66/1131716566.db2.gz HCQUJFHAHJZINH-BXUZGUMPSA-N 0 1 285.815 3.637 20 10 CHCDMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1O ZINC000834893301 1131720276 /nfs/dbraw/zinc/72/02/76/1131720276.db2.gz FHOBCAYPTALJMO-WDEREUQCSA-N 0 1 293.798 3.674 20 10 CHCDMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1O ZINC000834896112 1131722291 /nfs/dbraw/zinc/72/22/91/1131722291.db2.gz UQDFVXSPCNFEHV-UONOGXRCSA-N 0 1 287.407 3.637 20 10 CHCDMN C[N@@H+](Cc1ccccc1F)Cc1c(O)ccc2ccncc21 ZINC000834924875 1131734726 /nfs/dbraw/zinc/73/47/26/1131734726.db2.gz VDVKQQCTHUMGLM-UHFFFAOYSA-N 0 1 296.345 3.712 20 10 CHCDMN C[N@H+](Cc1ccccc1F)Cc1c([O-])ccc2ccncc21 ZINC000834924875 1131734732 /nfs/dbraw/zinc/73/47/32/1131734732.db2.gz VDVKQQCTHUMGLM-UHFFFAOYSA-N 0 1 296.345 3.712 20 10 CHCDMN C[N@@H+](Cc1ccccc1F)Cc1c([O-])ccc2ccncc21 ZINC000834924875 1131734738 /nfs/dbraw/zinc/73/47/38/1131734738.db2.gz VDVKQQCTHUMGLM-UHFFFAOYSA-N 0 1 296.345 3.712 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140463260 1131749576 /nfs/dbraw/zinc/74/95/76/1131749576.db2.gz YFGJJPNHSMJACI-PHIMTYICSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140463260 1131749580 /nfs/dbraw/zinc/74/95/80/1131749580.db2.gz YFGJJPNHSMJACI-PHIMTYICSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCc2ccccc2C1 ZINC001140467289 1131752199 /nfs/dbraw/zinc/75/21/99/1131752199.db2.gz USJXFYWZGRMAAU-UHFFFAOYSA-N 0 1 287.790 3.994 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCc2ccccc2C1 ZINC001140467289 1131752205 /nfs/dbraw/zinc/75/22/05/1131752205.db2.gz USJXFYWZGRMAAU-UHFFFAOYSA-N 0 1 287.790 3.994 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)[C@@H]1C ZINC001140466457 1131752556 /nfs/dbraw/zinc/75/25/56/1131752556.db2.gz GKHMXCQJJMZCSA-GHMZBOCLSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])[C@@H]1C ZINC001140466457 1131752557 /nfs/dbraw/zinc/75/25/57/1131752557.db2.gz GKHMXCQJJMZCSA-GHMZBOCLSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])[C@@H]1C ZINC001140466457 1131752558 /nfs/dbraw/zinc/75/25/58/1131752558.db2.gz GKHMXCQJJMZCSA-GHMZBOCLSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140584538 1131808743 /nfs/dbraw/zinc/80/87/43/1131808743.db2.gz WCGVDMXGMYWWTR-NSHDSACASA-N 0 1 289.325 3.617 20 10 CHCDMN C[N@@H+](Cc1c([O-])cc(F)cc1F)[C@@H]1CCc2ccccc21 ZINC001140584689 1131810971 /nfs/dbraw/zinc/81/09/71/1131810971.db2.gz BYKWLMLAKXSGSV-MRXNPFEDSA-N 0 1 289.325 3.790 20 10 CHCDMN Cc1ccc(CN(C)Cc2ccc(F)cc2F)c(O)c1 ZINC001140958126 1131973652 /nfs/dbraw/zinc/97/36/52/1131973652.db2.gz ROCGLWYBKALCTK-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716042690 1132004002 /nfs/dbraw/zinc/00/40/02/1132004002.db2.gz VLAGTYMPKXAYPR-YOGCLGLASA-N 0 1 297.851 3.809 20 10 CHCDMN Cc1nc([C@H](C)Sc2ncc(C(C)(C)C)s2)n[nH]1 ZINC000840198670 1132249060 /nfs/dbraw/zinc/24/90/60/1132249060.db2.gz BQPKGOBBDDDESV-ZETCQYMHSA-N 0 1 282.438 3.720 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1cc(Cl)ccc1[O-] ZINC000840820015 1132290367 /nfs/dbraw/zinc/29/03/67/1132290367.db2.gz FKMFHEZWIFJFMN-GUTXKFCHSA-N 0 1 283.799 3.654 20 10 CHCDMN CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C12CCC2 ZINC000840807284 1132290378 /nfs/dbraw/zinc/29/03/78/1132290378.db2.gz SCCZATCKSRTBJJ-VCTAVGKDSA-N 0 1 295.810 3.654 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000840893274 1132306135 /nfs/dbraw/zinc/30/61/35/1132306135.db2.gz FSDZKGRFEWRTDQ-KYOSRNDESA-N 0 1 297.826 3.637 20 10 CHCDMN CS[C@H]1CC[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840906182 1132308623 /nfs/dbraw/zinc/30/86/23/1132308623.db2.gz VUBZQPUFMKRIKF-QWRGUYRKSA-N 0 1 285.840 3.728 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCCOC(C)C)c(Cl)c1 ZINC000840938217 1132309885 /nfs/dbraw/zinc/30/98/85/1132309885.db2.gz ZHVQEFCMRVFCTM-UHFFFAOYSA-N 0 1 285.815 3.649 20 10 CHCDMN Cc1noc(C)c1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000840934651 1132310610 /nfs/dbraw/zinc/31/06/10/1132310610.db2.gz UNHJTCVCSVMOBH-GFCCVEGCSA-N 0 1 287.407 3.517 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000840942020 1132311408 /nfs/dbraw/zinc/31/14/08/1132311408.db2.gz ZEYBEZKYTLGRHO-SNVBAGLBSA-N 0 1 289.753 3.879 20 10 CHCDMN Cc1cc(N)cc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000841071605 1132327036 /nfs/dbraw/zinc/32/70/36/1132327036.db2.gz QUBGESPEXFTRPJ-UHFFFAOYSA-N 0 1 290.794 3.534 20 10 CHCDMN Cc1cc(O)c(CN2CCc3sccc3C2)cc1Cl ZINC001231868383 1132384430 /nfs/dbraw/zinc/38/44/30/1132384430.db2.gz URYJVPDHSHLUJH-UHFFFAOYSA-N 0 1 293.819 3.974 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cccnc1 ZINC000841743428 1132387312 /nfs/dbraw/zinc/38/73/12/1132387312.db2.gz GFZDCCWMDQNEOX-MNOVXSKESA-N 0 1 276.767 3.852 20 10 CHCDMN C[C@H]([NH2+]CCOC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841749925 1132389629 /nfs/dbraw/zinc/38/96/29/1132389629.db2.gz JYUGGZUWRCVEKG-JTQLQIEISA-N 0 1 271.788 3.511 20 10 CHCDMN Cc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])cn1 ZINC001231883251 1132390718 /nfs/dbraw/zinc/39/07/18/1132390718.db2.gz NBXDKQQURLFAFL-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])cn1 ZINC001231883251 1132390726 /nfs/dbraw/zinc/39/07/26/1132390726.db2.gz NBXDKQQURLFAFL-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN COC1([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841755871 1132391249 /nfs/dbraw/zinc/39/12/49/1132391249.db2.gz MXMJHJIXPOTCIG-QWRGUYRKSA-N 0 1 283.799 3.654 20 10 CHCDMN COC[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879713 1132391251 /nfs/dbraw/zinc/39/12/51/1132391251.db2.gz PIHIDEYKOJAULQ-MRXNPFEDSA-N 0 1 285.387 3.546 20 10 CHCDMN COC[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879713 1132391259 /nfs/dbraw/zinc/39/12/59/1132391259.db2.gz PIHIDEYKOJAULQ-MRXNPFEDSA-N 0 1 285.387 3.546 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(Cl)cc1[O-] ZINC000841752764 1132391536 /nfs/dbraw/zinc/39/15/36/1132391536.db2.gz HRZDLWUVEIUBNI-VHSXEESVSA-N 0 1 294.757 3.992 20 10 CHCDMN Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841753208 1132392741 /nfs/dbraw/zinc/39/27/41/1132392741.db2.gz DVSWETIRKZNEHW-GFCCVEGCSA-N 0 1 290.794 3.908 20 10 CHCDMN C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(Cl)cc1[O-] ZINC000841759243 1132393742 /nfs/dbraw/zinc/39/37/42/1132393742.db2.gz XSDTWPFEIRBTOC-KWBADKCTSA-N 0 1 291.782 3.599 20 10 CHCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])Cc1ccccc1O ZINC001231912280 1132399233 /nfs/dbraw/zinc/39/92/33/1132399233.db2.gz BXFBTDNIQWUPJU-UHFFFAOYSA-N 0 1 291.778 3.773 20 10 CHCDMN COc1cc([O-])c(C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1Cl ZINC001232266051 1132446923 /nfs/dbraw/zinc/44/69/23/1132446923.db2.gz QBVHTKFLJPCYBR-QWRGUYRKSA-N 0 1 283.799 3.817 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000842927638 1132476570 /nfs/dbraw/zinc/47/65/70/1132476570.db2.gz FMVCUPOPTKNQOI-MRBYEJRBSA-N 0 1 265.784 3.885 20 10 CHCDMN C[N@@H+](Cc1cccnc1)Cc1cccc(C(C)(C)C)c1O ZINC001143103725 1132502429 /nfs/dbraw/zinc/50/24/29/1132502429.db2.gz JJCFUXPSBAPANA-UHFFFAOYSA-N 0 1 284.403 3.717 20 10 CHCDMN CC(C)(C)c1ccc(O)c(CN2CCc3ccncc3C2)c1 ZINC001233286191 1132595739 /nfs/dbraw/zinc/59/57/39/1132595739.db2.gz JGWVGKJSBGDCKZ-UHFFFAOYSA-N 0 1 296.414 3.643 20 10 CHCDMN [O-]c1c(C[N@@H+](CC2CC2)C2CC2)cccc1C(F)(F)F ZINC001233419231 1132621495 /nfs/dbraw/zinc/62/14/95/1132621495.db2.gz ORGDEWGLHXAWGS-UHFFFAOYSA-N 0 1 285.309 3.785 20 10 CHCDMN C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccc1O ZINC001203556392 1133339067 /nfs/dbraw/zinc/33/90/67/1133339067.db2.gz OPLZZYUNAXWOEI-UHFFFAOYSA-N 0 1 296.414 3.624 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1CF ZINC001203584529 1133343042 /nfs/dbraw/zinc/34/30/42/1133343042.db2.gz BRHARVZLJASCBY-SNVBAGLBSA-N 0 1 278.154 3.633 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1CF ZINC001203584529 1133343048 /nfs/dbraw/zinc/34/30/48/1133343048.db2.gz BRHARVZLJASCBY-SNVBAGLBSA-N 0 1 278.154 3.633 20 10 CHCDMN CC[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccnc1 ZINC001204327233 1133438442 /nfs/dbraw/zinc/43/84/42/1133438442.db2.gz MLWMJLWGXZFIIS-UHFFFAOYSA-N 0 1 295.430 3.704 20 10 CHCDMN C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001206517428 1133713329 /nfs/dbraw/zinc/71/33/29/1133713329.db2.gz SYJPATMLBHDLKH-UHIISALHSA-N 0 1 267.800 3.960 20 10 CHCDMN CC1(C)C[C@@]1(C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC001206753906 1133742131 /nfs/dbraw/zinc/74/21/31/1133742131.db2.gz TXTGNLYCTVORIF-LJQANCHMSA-N 0 1 299.389 3.989 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000166373250 1133916339 /nfs/dbraw/zinc/91/63/39/1133916339.db2.gz BHIZMTGXBIWCPY-AWEZNQCLSA-N 0 1 271.335 3.521 20 10 CHCDMN Cc1cc(Nc2c(F)ccc(C)c2O)c2ccccc2n1 ZINC001215735989 1134669859 /nfs/dbraw/zinc/66/98/59/1134669859.db2.gz LRWGRZOZTHXFST-UHFFFAOYSA-N 0 1 282.318 3.862 20 10 CHCDMN CC(=O)[C@H](C)OC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227488880 1135839953 /nfs/dbraw/zinc/83/99/53/1135839953.db2.gz JFKKKLBDQYTPQS-SHYALIGYSA-N 0 1 285.303 3.559 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc2ccccc2c1[O-] ZINC000035733326 172384569 /nfs/dbraw/zinc/38/45/69/172384569.db2.gz KISHOLLKQCIINH-RYUDHWBXSA-N 0 1 255.361 3.995 20 10 CHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cccnc1Cl ZINC000160536872 261217584 /nfs/dbraw/zinc/21/75/84/261217584.db2.gz FIDJTQITOFFCIQ-LBPRGKRZSA-N 0 1 289.810 3.652 20 10 CHCDMN COc1cc(Cl)cc(CN(C)[C@@H](C)c2ccco2)c1O ZINC000184679027 262026318 /nfs/dbraw/zinc/02/63/18/262026318.db2.gz YKQRWCIZUFIMMM-JTQLQIEISA-N 0 1 295.766 3.840 20 10 CHCDMN CCc1cnc(CN[C@@H](C)c2cc(Cl)ccc2O)s1 ZINC000185584115 262060777 /nfs/dbraw/zinc/06/07/77/262060777.db2.gz CBDZFPITLRPYIF-VIFPVBQESA-N 0 1 296.823 3.915 20 10 CHCDMN C[C@H]([NH2+]CC1(CCO)CCCCC1)c1cc(F)ccc1[O-] ZINC000185669622 262064543 /nfs/dbraw/zinc/06/45/43/262064543.db2.gz QMIBMOGLSAPHHX-ZDUSSCGKSA-N 0 1 295.398 3.515 20 10 CHCDMN COCC[C@@H]1CCCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000368677737 267197351 /nfs/dbraw/zinc/19/73/51/267197351.db2.gz RCOYEIQSXYLFMZ-ZDUSSCGKSA-N 0 1 297.826 3.684 20 10 CHCDMN COC[C@H](N[C@H](C)c1cc(C)ccc1O)c1ccc(C)o1 ZINC000185630201 327841713 /nfs/dbraw/zinc/84/17/13/327841713.db2.gz XAZXRGUITUJXOT-HIFRSBDPSA-N 0 1 289.375 3.640 20 10 CHCDMN CCCc1nc(C)c(CNCc2c(O)cccc2Cl)o1 ZINC000291681773 328265645 /nfs/dbraw/zinc/26/56/45/328265645.db2.gz HVAQYEVHRSYRRV-UHFFFAOYSA-N 0 1 294.782 3.584 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000278611195 327176966 /nfs/dbraw/zinc/17/69/66/327176966.db2.gz RGPKQDDKPNZFFY-DCGLDWPTSA-N 0 1 285.387 3.621 20 10 CHCDMN CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000527923633 330296022 /nfs/dbraw/zinc/29/60/22/330296022.db2.gz DDBFKPMACOTNFV-DOMZBBRYSA-N 0 1 297.826 3.903 20 10 CHCDMN Cc1ncccc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000527986174 330298773 /nfs/dbraw/zinc/29/87/73/330298773.db2.gz JLYWXNKRKOJYHO-LLVKDONJSA-N 0 1 276.767 3.600 20 10 CHCDMN CC[C@@H](NCc1nc(C)cs1)c1ccc(N(C)C)cc1 ZINC000126244517 522892593 /nfs/dbraw/zinc/89/25/93/522892593.db2.gz TXOZVIYSVBUHKC-OAHLLOKOSA-N 0 1 289.448 3.758 20 10 CHCDMN CCn1ccnc1[C@H]1CCCCN1Cc1cccc(C)c1O ZINC000280888831 523558995 /nfs/dbraw/zinc/55/89/95/523558995.db2.gz DEBLYLWUXRSTEG-MRXNPFEDSA-N 0 1 299.418 3.644 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)CCCN3C)o1 ZINC000050286561 525733052 /nfs/dbraw/zinc/73/30/52/525733052.db2.gz ZUMGZNTWBRIKGU-CQSZACIVSA-N 0 1 284.403 3.821 20 10 CHCDMN Cc1csc(CN[C@@H](C)c2ccc(C)c(C)c2O)n1 ZINC000273394085 526359637 /nfs/dbraw/zinc/35/96/37/526359637.db2.gz LOZHOLMSHWLXMO-LBPRGKRZSA-N 0 1 276.405 3.625 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)[C@H](C)C1 ZINC000707145792 1118648078 /nfs/dbraw/zinc/64/80/78/1118648078.db2.gz HJJZHDSLWDVUJY-GHMZBOCLSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)[C@H](C)C1 ZINC000707145792 1118648080 /nfs/dbraw/zinc/64/80/80/1118648080.db2.gz HJJZHDSLWDVUJY-GHMZBOCLSA-N 0 1 298.224 3.775 20 10 CHCDMN CN(C)c1cc(F)c(CNC(C)(C)/C=C/Cl)cc1F ZINC001179626396 1121897330 /nfs/dbraw/zinc/89/73/30/1121897330.db2.gz IUBHKGSYBVEBFR-AATRIKPKSA-N 0 1 288.769 3.652 20 10 CHCDMN C[C@H]([NH2+]CC1=CCCC1)c1cc(Cl)ccc1[O-] ZINC000850556805 1123290843 /nfs/dbraw/zinc/29/08/43/1123290843.db2.gz JPUFEEZWYOVTSA-JTQLQIEISA-N 0 1 251.757 3.807 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000281273114 1123692183 /nfs/dbraw/zinc/69/21/83/1123692183.db2.gz YRHQLFBFJBIFOS-UWVGGRQHSA-N 0 1 273.298 3.617 20 10 CHCDMN CC[N@H+](Cc1cc(Cl)c(O)cc1[O-])C1CCCCC1 ZINC001232259097 1132443946 /nfs/dbraw/zinc/44/39/46/1132443946.db2.gz SDFYJUZLJHEULT-UHFFFAOYSA-N 0 1 283.799 3.906 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)c(O)cc1[O-])C1CCCCC1 ZINC001232259097 1132443952 /nfs/dbraw/zinc/44/39/52/1132443952.db2.gz SDFYJUZLJHEULT-UHFFFAOYSA-N 0 1 283.799 3.906 20 10 CHCDMN COc1cc([O-])c(C[N@H+](C)Cc2ccsc2)cc1Cl ZINC001232269617 1132447837 /nfs/dbraw/zinc/44/78/37/1132447837.db2.gz HFASVPVQVXFJQT-UHFFFAOYSA-N 0 1 297.807 3.748 20 10 CHCDMN COc1cc([O-])c(C[N@@H+](C)Cc2ccsc2)cc1Cl ZINC001232269617 1132447843 /nfs/dbraw/zinc/44/78/43/1132447843.db2.gz HFASVPVQVXFJQT-UHFFFAOYSA-N 0 1 297.807 3.748 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000842927889 1132477757 /nfs/dbraw/zinc/47/77/57/1132477757.db2.gz GOAOHEAGTICRAJ-SBMIAAHKSA-N 0 1 271.813 3.590 20 10 CHCDMN CC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C ZINC001205470633 1133580590 /nfs/dbraw/zinc/58/05/90/1133580590.db2.gz BEHYKYJAGMWUDP-MNOVXSKESA-N 0 1 298.224 3.775 20 10 CHCDMN CCOC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841753802 1125592185 /nfs/dbraw/zinc/59/21/85/1125592185.db2.gz WOAYGEAGYPUBBR-RISCZKNCSA-N 0 1 285.815 3.757 20 10 CHCDMN Cc1[nH]nc(NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000886196017 1125660492 /nfs/dbraw/zinc/66/04/92/1125660492.db2.gz FBMMCZHTAVTQSQ-UHFFFAOYSA-N 0 1 286.162 3.651 20 10 CHCDMN CC[C@@H](NCc1cc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000886682946 1125706736 /nfs/dbraw/zinc/70/67/36/1125706736.db2.gz SPQXHLCKPKRZQK-QGZVFWFLSA-N 0 1 299.418 3.859 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC000380720275 1129832653 /nfs/dbraw/zinc/83/26/53/1129832653.db2.gz ABNNNJIWDZAVHW-RKDXNWHRSA-N 0 1 274.191 3.929 20 10 CHCDMN CCOc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)c([O-])c1 ZINC000768545327 1129863781 /nfs/dbraw/zinc/86/37/81/1129863781.db2.gz XVNZPCRKCCSISN-GFCCVEGCSA-N 0 1 265.397 3.657 20 10 CHCDMN CN(C)c1ccc(CN(C)Cc2ccccc2F)cc1 ZINC000302735346 1126740880 /nfs/dbraw/zinc/74/08/80/1126740880.db2.gz GPUMEPXLQSDDOO-UHFFFAOYSA-N 0 1 272.367 3.524 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1 ZINC000152337560 1126756916 /nfs/dbraw/zinc/75/69/16/1126756916.db2.gz XGIFCUZZXLMOAI-CABCVRRESA-N 0 1 283.419 3.950 20 10 CHCDMN CC[C@](C)(NCc1cc(C)c(C)cc1O)c1nccs1 ZINC000174419917 1126770285 /nfs/dbraw/zinc/77/02/85/1126770285.db2.gz QBHWNTCFCCUPDH-INIZCTEOSA-N 0 1 290.432 3.881 20 10 CHCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)[C@@H]1C1CC1 ZINC000811513992 1130619684 /nfs/dbraw/zinc/61/96/84/1130619684.db2.gz YWWKIGLCNKZTFL-CQSZACIVSA-N 0 1 265.784 3.666 20 10 CHCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)[C@@H]1C1CC1 ZINC000811513992 1130619690 /nfs/dbraw/zinc/61/96/90/1130619690.db2.gz YWWKIGLCNKZTFL-CQSZACIVSA-N 0 1 265.784 3.666 20 10 CHCDMN C[C@@H](NCc1nc(C(C)(C)C)cs1)c1ccccc1O ZINC000179891998 1126836194 /nfs/dbraw/zinc/83/61/94/1126836194.db2.gz KEOATADWNSQFOU-LLVKDONJSA-N 0 1 290.432 3.997 20 10 CHCDMN [O-]c1cccc(Br)c1C[NH2+]C1(C2CC2)CCC1 ZINC000717838337 1127094845 /nfs/dbraw/zinc/09/48/45/1127094845.db2.gz YXJLHJNVPTYTNJ-UHFFFAOYSA-N 0 1 296.208 3.577 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121279 1131054109 /nfs/dbraw/zinc/05/41/09/1131054109.db2.gz AQKUMRFWRAEFFV-JTQLQIEISA-N 0 1 271.763 3.807 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121279 1131054114 /nfs/dbraw/zinc/05/41/14/1131054114.db2.gz AQKUMRFWRAEFFV-JTQLQIEISA-N 0 1 271.763 3.807 20 10 CHCDMN CCOC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000044688695 1127155144 /nfs/dbraw/zinc/15/51/44/1127155144.db2.gz BCMSXMJWMBZVSL-STQMWFEESA-N 0 1 273.376 3.621 20 10 CHCDMN Oc1ccccc1C[N@@H+](Cc1cncnc1)C1CCCCC1 ZINC000156774342 1127183714 /nfs/dbraw/zinc/18/37/14/1127183714.db2.gz GKGJPOMEERFMKG-UHFFFAOYSA-N 0 1 297.402 3.517 20 10 CHCDMN Cc1ccnc([C@@H](C)NCc2ccc(N3CCCC3)cc2)c1 ZINC000285651379 1127240182 /nfs/dbraw/zinc/24/01/82/1127240182.db2.gz MGPDDFWBVBMTJP-MRXNPFEDSA-N 0 1 295.430 3.841 20 10 CHCDMN COC(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168824169 1127471349 /nfs/dbraw/zinc/47/13/49/1127471349.db2.gz XHLLHUPAFGTNAS-GFCCVEGCSA-N 0 1 273.376 3.621 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C1CC1 ZINC000134911275 1128115501 /nfs/dbraw/zinc/11/55/01/1128115501.db2.gz ODLPJSHVCBVSKT-BDAKNGLRSA-N 0 1 284.197 3.604 20 10 CHCDMN CC[C@](C)(NCc1cc(Cl)ccc1O)c1nccs1 ZINC000152664743 1128144990 /nfs/dbraw/zinc/14/49/90/1128144990.db2.gz UNUIHSHGURNTDA-AWEZNQCLSA-N 0 1 296.823 3.917 20 10 CHCDMN CC[C@](C)([NH2+]Cc1cc(Cl)ccc1[O-])c1nccs1 ZINC000152664743 1128144993 /nfs/dbraw/zinc/14/49/93/1128144993.db2.gz UNUIHSHGURNTDA-AWEZNQCLSA-N 0 1 296.823 3.917 20 10 CHCDMN Cc1cc(NCc2cc(Cl)cc(Cl)c2O)nnc1C ZINC000762651134 1128313337 /nfs/dbraw/zinc/31/33/37/1128313337.db2.gz HJGIMRLBNLGCFZ-UHFFFAOYSA-N 0 1 298.173 3.718 20 10 CHCDMN Cc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000153863452 1128408093 /nfs/dbraw/zinc/40/80/93/1128408093.db2.gz QXVAUIFQJJXQNM-LBPRGKRZSA-N 0 1 289.448 3.677 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1F ZINC000779148044 1128751198 /nfs/dbraw/zinc/75/11/98/1128751198.db2.gz FKQAWCYFRPJBAE-UFBFGSQYSA-N 0 1 292.181 3.879 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1F ZINC000779148044 1128751200 /nfs/dbraw/zinc/75/12/00/1128751200.db2.gz FKQAWCYFRPJBAE-UFBFGSQYSA-N 0 1 292.181 3.879 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1F ZINC000779148036 1128751676 /nfs/dbraw/zinc/75/16/76/1128751676.db2.gz FKQAWCYFRPJBAE-PRHODGIISA-N 0 1 292.181 3.879 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1F ZINC000779148036 1128751679 /nfs/dbraw/zinc/75/16/79/1128751679.db2.gz FKQAWCYFRPJBAE-PRHODGIISA-N 0 1 292.181 3.879 20 10 CHCDMN CC(C)=CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000188446986 1128762626 /nfs/dbraw/zinc/76/26/26/1128762626.db2.gz OFTVBKBGVZQVKI-JTQLQIEISA-N 0 1 284.197 3.772 20 10 CHCDMN Fc1ccc(CNCc2ccc3c(c2)CCCO3)c(F)c1 ZINC000921620157 1118225899 /nfs/dbraw/zinc/22/58/99/1118225899.db2.gz JTQUXGJASSRFKR-UHFFFAOYSA-N 0 1 289.325 3.580 20 10 CHCDMN [O-]c1c(C[NH2+][C@@H]2CCCC23CC3)ccc2ccccc21 ZINC001207066797 1118400597 /nfs/dbraw/zinc/40/05/97/1118400597.db2.gz JKKGOJCTNQJFFJ-MRXNPFEDSA-N 0 1 267.372 3.968 20 10 CHCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C[C@@H]1CC1(C)C ZINC001659739848 1118487795 /nfs/dbraw/zinc/48/77/95/1118487795.db2.gz UXNYDEXEIQOWCE-NSHDSACASA-N 0 1 298.224 3.633 20 10 CHCDMN C[N@H+](Cc1ccc(Br)cc1[O-])C[C@@H]1CC1(C)C ZINC001659739848 1118487796 /nfs/dbraw/zinc/48/77/96/1118487796.db2.gz UXNYDEXEIQOWCE-NSHDSACASA-N 0 1 298.224 3.633 20 10 CHCDMN CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000834906591 1118623664 /nfs/dbraw/zinc/62/36/64/1118623664.db2.gz XVRJOZNSBJUGIQ-WFASDCNBSA-N 0 1 297.826 3.903 20 10 CHCDMN C[C@H]1CCCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707136585 1118641513 /nfs/dbraw/zinc/64/15/13/1118641513.db2.gz TTXVBQVBFLZLEE-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@H]1CCCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707136585 1118641515 /nfs/dbraw/zinc/64/15/15/1118641515.db2.gz TTXVBQVBFLZLEE-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@H]1CCCCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140465267 1118740436 /nfs/dbraw/zinc/74/04/36/1118740436.db2.gz LZSLHUZGJPRPKT-NSHDSACASA-N 0 1 253.773 3.810 20 10 CHCDMN C[C@H]1CCCCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140465267 1118740433 /nfs/dbraw/zinc/74/04/33/1118740433.db2.gz LZSLHUZGJPRPKT-NSHDSACASA-N 0 1 253.773 3.810 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000386462294 1118850296 /nfs/dbraw/zinc/85/02/96/1118850296.db2.gz GCKYHFHYFOKYRB-TXEJJXNPSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000386462294 1118850299 /nfs/dbraw/zinc/85/02/99/1118850299.db2.gz GCKYHFHYFOKYRB-TXEJJXNPSA-N 0 1 265.784 3.668 20 10 CHCDMN Cc1cnc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3C)s1 ZINC000230664070 1119413068 /nfs/dbraw/zinc/41/30/68/1119413068.db2.gz VEOXKQXTQDYYJK-CMPLNLGQSA-N 0 1 288.416 3.804 20 10 CHCDMN C[C@H](NCc1coc(-c2ccccc2)n1)c1ccccc1O ZINC000179894537 1119790911 /nfs/dbraw/zinc/79/09/11/1119790911.db2.gz QVUWEMISRQYZPA-ZDUSSCGKSA-N 0 1 294.354 3.898 20 10 CHCDMN C[C@H]([NH2+]CCOCC1CCC1)c1cc(Cl)ccc1[O-] ZINC000765811666 1120050803 /nfs/dbraw/zinc/05/08/03/1120050803.db2.gz VELMUHBZHXFBDH-NSHDSACASA-N 0 1 283.799 3.513 20 10 CHCDMN Clc1ccsc1CNCc1ccc2c(c1)CCO2 ZINC000785448253 1120128453 /nfs/dbraw/zinc/12/84/53/1120128453.db2.gz MVFLSVCZMMLUJK-UHFFFAOYSA-N 0 1 279.792 3.626 20 10 CHCDMN CCCCOCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756340951 1120232584 /nfs/dbraw/zinc/23/25/84/1120232584.db2.gz KAFDCVJIEYPFHJ-LBPRGKRZSA-N 0 1 285.815 3.903 20 10 CHCDMN CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccccc2O)c1 ZINC000179577451 1120250438 /nfs/dbraw/zinc/25/04/38/1120250438.db2.gz FROFYSOOXBEHHE-GOSISDBHSA-N 0 1 296.414 3.795 20 10 CHCDMN C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CC1 ZINC000756483700 1120372568 /nfs/dbraw/zinc/37/25/68/1120372568.db2.gz VJVUJXODGHUSDO-GIPNMCIBSA-N 0 1 263.356 3.715 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCC2(CC2)CC1 ZINC000695700102 1120391502 /nfs/dbraw/zinc/39/15/02/1120391502.db2.gz VIFUTQYPXNLOKB-UHFFFAOYSA-N 0 1 265.784 3.858 20 10 CHCDMN C[N@@H+](Cc1ccc(OCC2CC2)cc1)Cc1ccccc1O ZINC000191253471 1120518261 /nfs/dbraw/zinc/51/82/61/1120518261.db2.gz MXBSUDPEBZSNMM-UHFFFAOYSA-N 0 1 297.398 3.813 20 10 CHCDMN C=Cn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000193932712 1120587277 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[O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172140 1121184136 /nfs/dbraw/zinc/18/41/36/1121184136.db2.gz MTUKZRQVZJZBKJ-BXUZGUMPSA-N 0 1 265.784 3.810 20 10 CHCDMN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000766089314 1121208849 /nfs/dbraw/zinc/20/88/49/1121208849.db2.gz QAPKBNUDGCWRSH-CABCVRRESA-N 0 1 297.826 3.727 20 10 CHCDMN Cc1cccc(NCc2ccc(F)c(F)c2O)c1C ZINC000703310877 1121246583 /nfs/dbraw/zinc/24/65/83/1121246583.db2.gz ZCGALUWARQBIIW-UHFFFAOYSA-N 0 1 263.287 3.899 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001237122775 1128979186 /nfs/dbraw/zinc/97/91/86/1128979186.db2.gz YQBWMLCDGHROFS-QWRGUYRKSA-N 0 1 283.774 3.807 20 10 CHCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](C)C(C)C ZINC000706647480 1121434601 /nfs/dbraw/zinc/43/46/01/1121434601.db2.gz WRWSFKGACBTHFI-LLVKDONJSA-N 0 1 255.789 3.912 20 10 CHCDMN C[N@@H+](CCCc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001180121056 1121954702 /nfs/dbraw/zinc/95/47/02/1121954702.db2.gz OJWVGIXDHUEOFY-UHFFFAOYSA-N 0 1 291.341 3.735 20 10 CHCDMN CC(C)[C@H](C)[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC001180478909 1121989618 /nfs/dbraw/zinc/98/96/18/1121989618.db2.gz DVXLPGXRJFDDSR-JTQLQIEISA-N 0 1 269.335 3.679 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C(C)(C)C ZINC000205579513 1122162915 /nfs/dbraw/zinc/16/29/15/1122162915.db2.gz MERVQZXYIFFVFZ-UHFFFAOYSA-N 0 1 262.180 3.929 20 10 CHCDMN CN(C)c1cc(F)c(CN2CCC23CCCC3)cc1F ZINC001182756318 1122185128 /nfs/dbraw/zinc/18/51/28/1122185128.db2.gz ZDKJCJCPIGIXHG-UHFFFAOYSA-N 0 1 280.362 3.549 20 10 CHCDMN Cc1ncc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000273563802 1122238970 /nfs/dbraw/zinc/23/89/70/1122238970.db2.gz IUKTVUGQFOVGGE-QMMMGPOBSA-N 0 1 282.796 3.661 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001184339773 1122271755 /nfs/dbraw/zinc/27/17/55/1122271755.db2.gz SJDLNZIBLGWONC-CQSZACIVSA-N 0 1 277.383 3.934 20 10 CHCDMN CC[C@@H]([NH2+]CC1(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775524480 1122642880 /nfs/dbraw/zinc/64/28/80/1122642880.db2.gz ADWQQADKAZWSPO-GFCCVEGCSA-N 0 1 253.773 3.886 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H]1CCCN1CC)c1cc(Cl)ccc1[O-] ZINC000775482812 1122615158 /nfs/dbraw/zinc/61/51/58/1122615158.db2.gz CCIOFTJAYDIHGF-DZGCQCFKSA-N 0 1 296.842 3.571 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCCN1CC)c1cc(Cl)ccc1[O-] ZINC000775482813 1122615711 /nfs/dbraw/zinc/61/57/11/1122615711.db2.gz CCIOFTJAYDIHGF-HIFRSBDPSA-N 0 1 296.842 3.571 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775485393 1122616733 /nfs/dbraw/zinc/61/67/33/1122616733.db2.gz SPNNFWLIYVTGIG-ZANVPECISA-N 0 1 253.773 3.885 20 10 CHCDMN CCCCOCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775495794 1122624349 /nfs/dbraw/zinc/62/43/49/1122624349.db2.gz BYDBDCSEVZVMNX-AWEZNQCLSA-N 0 1 285.815 3.903 20 10 CHCDMN CC[C@@H]([NH2+]CCCC(C)(C)CO)c1cc(Cl)ccc1[O-] ZINC000775508604 1122630005 /nfs/dbraw/zinc/63/00/05/1122630005.db2.gz DJKUZILHXYLRAV-CQSZACIVSA-N 0 1 299.842 3.885 20 10 CHCDMN CC[C@@H]([NH2+]CC(CC)(CC)CO)c1cc(Cl)ccc1[O-] ZINC000775523533 1122640919 /nfs/dbraw/zinc/64/09/19/1122640919.db2.gz JVUZGHLXFZIQHP-CQSZACIVSA-N 0 1 299.842 3.885 20 10 CHCDMN CC[C@H](O)CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775524927 1122641883 /nfs/dbraw/zinc/64/18/83/1122641883.db2.gz CTXHIXYCCDHGLL-JSGCOSHPSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cncc(C)c1)c1cc(Cl)ccc1[O-] ZINC000775526372 1122643737 /nfs/dbraw/zinc/64/37/37/1122643737.db2.gz RSAUMYUFLBFTMD-OAHLLOKOSA-N 0 1 290.794 3.990 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000775527348 1122644741 /nfs/dbraw/zinc/64/47/41/1122644741.db2.gz QZLQYHFIEGCUBD-JQWIXIFHSA-N 0 1 271.813 3.592 20 10 CHCDMN Cc1csc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000080272821 1129080151 /nfs/dbraw/zinc/08/01/51/1129080151.db2.gz DDHUNIYPNQKNLI-STQMWFEESA-N 0 1 289.448 3.929 20 10 CHCDMN C[N@@H+](CCc1ccccc1F)Cc1cccc(Cl)c1[O-] ZINC000775663544 1122875157 /nfs/dbraw/zinc/87/51/57/1122875157.db2.gz MUZGGBJMOMKEFF-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C(C1CC1)C1CC1 ZINC000775667827 1122882535 /nfs/dbraw/zinc/88/25/35/1122882535.db2.gz NWPYVVJELLAYQN-UHFFFAOYSA-N 0 1 283.774 3.805 20 10 CHCDMN Cc1cc(Cl)cc(CNCc2ccc(Cl)o2)c1O ZINC000775775472 1122957663 /nfs/dbraw/zinc/95/76/63/1122957663.db2.gz YATQJVMIIWWVMW-UHFFFAOYSA-N 0 1 286.158 3.890 20 10 CHCDMN CC(C)CSCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000776252585 1123179521 /nfs/dbraw/zinc/17/95/21/1123179521.db2.gz MFLZPNJTRUDZKH-UHFFFAOYSA-N 0 1 287.856 3.915 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000776248272 1123182028 /nfs/dbraw/zinc/18/20/28/1123182028.db2.gz LLZHBZZPIANBRJ-IYOUNJFTSA-N 0 1 299.801 3.721 20 10 CHCDMN Oc1ccc(Cl)cc1CNCc1c(F)cccc1F ZINC000776249207 1123183934 /nfs/dbraw/zinc/18/39/34/1123183934.db2.gz UKCJARCQPWEOCS-UHFFFAOYSA-N 0 1 283.705 3.614 20 10 CHCDMN COC[C@@H]1CCCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825536685 1123221425 /nfs/dbraw/zinc/22/14/25/1123221425.db2.gz LHYYMPVRSDDNLB-CYBMUJFWSA-N 0 1 297.826 3.603 20 10 CHCDMN COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825536685 1123221428 /nfs/dbraw/zinc/22/14/28/1123221428.db2.gz LHYYMPVRSDDNLB-CYBMUJFWSA-N 0 1 297.826 3.603 20 10 CHCDMN COc1ccc(CNCc2cccc(F)c2F)cc1C ZINC000107712548 1123226170 /nfs/dbraw/zinc/22/61/70/1123226170.db2.gz OAPNIMDULFWTIO-UHFFFAOYSA-N 0 1 277.314 3.572 20 10 CHCDMN CSCC1(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000850355222 1123255679 /nfs/dbraw/zinc/25/56/79/1123255679.db2.gz BESIBZACGPKMAL-UHFFFAOYSA-N 0 1 299.867 3.977 20 10 CHCDMN C[C@]1(CC[NH2+]Cc2c([O-])cccc2Cl)CC1(F)F ZINC000850380121 1123260465 /nfs/dbraw/zinc/26/04/65/1123260465.db2.gz BWTDZSFDSVPNIQ-LBPRGKRZSA-N 0 1 275.726 3.571 20 10 CHCDMN CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850492256 1123274543 /nfs/dbraw/zinc/27/45/43/1123274543.db2.gz CFCMKAQSEYPUDQ-SMDDNHRTSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000850495265 1123274925 /nfs/dbraw/zinc/27/49/25/1123274925.db2.gz ZFHCHTHGKRBXLY-FZMZJTMJSA-N 0 1 297.826 3.901 20 10 CHCDMN CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000850501752 1123275374 /nfs/dbraw/zinc/27/53/74/1123275374.db2.gz OYMNAUODYDUILN-LBPRGKRZSA-N 0 1 297.414 3.759 20 10 CHCDMN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850537326 1123288210 /nfs/dbraw/zinc/28/82/10/1123288210.db2.gz TUQDCHFCEXEFOX-PRHODGIISA-N 0 1 275.726 3.742 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc2ccccc2c1[O-] ZINC000850544939 1123289125 /nfs/dbraw/zinc/28/91/25/1123289125.db2.gz KRSZEYYESRKFOK-HIFRSBDPSA-N 0 1 299.414 3.605 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@H]2CC3(CCC3)CO2)ccc2ccccc21 ZINC000895790777 1123514616 /nfs/dbraw/zinc/51/46/16/1123514616.db2.gz LPXLDCAIFIEBJP-MRXNPFEDSA-N 0 1 297.398 3.594 20 10 CHCDMN CC(C)(NCc1cc(Cl)ccc1O)c1nccs1 ZINC000116381067 1123674497 /nfs/dbraw/zinc/67/44/97/1123674497.db2.gz UQOIXIZYUXQHIO-UHFFFAOYSA-N 0 1 282.796 3.527 20 10 CHCDMN C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCS1 ZINC000896951650 1123792631 /nfs/dbraw/zinc/79/26/31/1123792631.db2.gz LGPSGVHUXDWRCM-SWLSCSKDSA-N 0 1 287.428 3.919 20 10 CHCDMN [O-]c1c(C[NH2+]CC2CC=CC2)ccc2ccccc21 ZINC000862456260 1123812178 /nfs/dbraw/zinc/81/21/78/1123812178.db2.gz WQBAKQCYGFHXPI-UHFFFAOYSA-N 0 1 253.345 3.601 20 10 CHCDMN COc1cccc2c1CN(Cc1cc(C)c(C)cc1O)C2 ZINC000862529031 1123817303 /nfs/dbraw/zinc/81/73/03/1123817303.db2.gz HEVLYVXCVDEHHR-UHFFFAOYSA-N 0 1 283.371 3.533 20 10 CHCDMN Cc1nc2cc(NCc3ccc(F)c(F)c3O)ccc2o1 ZINC000864019134 1123909901 /nfs/dbraw/zinc/90/99/01/1123909901.db2.gz OVKCYPMNBJAWDN-UHFFFAOYSA-N 0 1 290.269 3.732 20 10 CHCDMN CO[C@@H](C)c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864027741 1123911803 /nfs/dbraw/zinc/91/18/03/1123911803.db2.gz JFPGWIKOBNDYTM-JTQLQIEISA-N 0 1 293.313 3.990 20 10 CHCDMN CC[C@H](NCc1ccn(C(C)C)n1)c1ccc(C)cc1O ZINC000794801593 1123950406 /nfs/dbraw/zinc/95/04/06/1123950406.db2.gz JTCRFQXLJCCHJL-INIZCTEOSA-N 0 1 287.407 3.719 20 10 CHCDMN CCC[C@@H](NCc1ccc2c(c1)CCO2)c1cc(C)ccn1 ZINC000866252625 1124042912 /nfs/dbraw/zinc/04/29/12/1124042912.db2.gz MIFWKAHCYPNQLA-QGZVFWFLSA-N 0 1 296.414 3.956 20 10 CHCDMN CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000866414759 1124064574 /nfs/dbraw/zinc/06/45/74/1124064574.db2.gz KKPDLQKPWVHRRL-HIFRSBDPSA-N 0 1 287.403 3.747 20 10 CHCDMN CCN(C)c1ccc([C@H](C)NCc2ccc(C)o2)cc1 ZINC000866478550 1124069568 /nfs/dbraw/zinc/06/95/68/1124069568.db2.gz JOWIAIXWKNDEHC-AWEZNQCLSA-N 0 1 272.392 3.895 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000866613877 1124088923 /nfs/dbraw/zinc/08/89/23/1124088923.db2.gz JRXYJMDZQTZVEH-ZWNOBZJWSA-N 0 1 293.798 3.581 20 10 CHCDMN CCOc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000037679399 1129165698 /nfs/dbraw/zinc/16/56/98/1129165698.db2.gz XPRCPXSRFJEHRZ-UHFFFAOYSA-N 0 1 291.778 3.734 20 10 CHCDMN COc1cc2c(cc1F)nccc2NCc1ccccc1O ZINC000795082434 1124514940 /nfs/dbraw/zinc/51/49/40/1124514940.db2.gz YFKFBBXLPYMXIZ-UHFFFAOYSA-N 0 1 298.317 3.700 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2C)o1 ZINC000122797562 1124534535 /nfs/dbraw/zinc/53/45/35/1124534535.db2.gz JKLUKODVBIJVPI-CQSZACIVSA-N 0 1 272.392 3.813 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000019912760 1124770588 /nfs/dbraw/zinc/77/05/88/1124770588.db2.gz PBBJUVKKOVJHQR-UHFFFAOYSA-N 0 1 279.742 3.517 20 10 CHCDMN CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124550746 1124773956 /nfs/dbraw/zinc/77/39/56/1124773956.db2.gz DZKPSQWWUGJFSX-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN Oc1ccccc1C[N@@H+](Cc1ccns1)C1CCCC1 ZINC000876722427 1124972871 /nfs/dbraw/zinc/97/28/71/1124972871.db2.gz UOIUELHHJNCSAV-UHFFFAOYSA-N 0 1 288.416 3.794 20 10 CHCDMN Cc1csc(C2(NCc3ccc(C)cc3O)CCC2)n1 ZINC000877000596 1124996679 /nfs/dbraw/zinc/99/66/79/1124996679.db2.gz TVMMYYRSDXJIRO-UHFFFAOYSA-N 0 1 288.416 3.635 20 10 CHCDMN Oc1cc(Br)ccc1CN1CC2(C1)CCCC2 ZINC000825935313 1125012687 /nfs/dbraw/zinc/01/26/87/1125012687.db2.gz QFYYDCOBRCQYMR-UHFFFAOYSA-N 0 1 296.208 3.531 20 10 CHCDMN Cc1ccc(CN2CC(C)(C)[C@@H]2c2cccnc2)c(O)c1 ZINC000877547095 1125043217 /nfs/dbraw/zinc/04/32/17/1125043217.db2.gz WQHLXGKGXHXZOH-KRWDZBQOSA-N 0 1 282.387 3.679 20 10 CHCDMN Cc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])o1 ZINC000877698822 1125064302 /nfs/dbraw/zinc/06/43/02/1125064302.db2.gz ZTMYTHHLCHBVMH-UHFFFAOYSA-N 0 1 265.740 3.545 20 10 CHCDMN Oc1c(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc2ccccc21 ZINC000877736837 1125070327 /nfs/dbraw/zinc/07/03/27/1125070327.db2.gz DMMCXCNUEVCIHF-CVEARBPZSA-N 0 1 299.439 3.730 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc2ccccc21 ZINC000877736837 1125070335 /nfs/dbraw/zinc/07/03/35/1125070335.db2.gz DMMCXCNUEVCIHF-CVEARBPZSA-N 0 1 299.439 3.730 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc2ccccc21 ZINC000877736837 1125070345 /nfs/dbraw/zinc/07/03/45/1125070345.db2.gz DMMCXCNUEVCIHF-CVEARBPZSA-N 0 1 299.439 3.730 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCC(C)(F)F)cc1Cl ZINC000826029492 1125130483 /nfs/dbraw/zinc/13/04/83/1125130483.db2.gz GNLWYSIHVLEWEM-UHFFFAOYSA-N 0 1 277.742 3.879 20 10 CHCDMN CSc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000883092710 1125371328 /nfs/dbraw/zinc/37/13/28/1125371328.db2.gz WUWJAIKOJWYYOI-LBPRGKRZSA-N 0 1 290.432 3.918 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(Cl)cc1[O-] ZINC000883357468 1125401375 /nfs/dbraw/zinc/40/13/75/1125401375.db2.gz LYMJEQPSAJQNRW-WCQYABFASA-N 0 1 295.810 3.798 20 10 CHCDMN C[C@@H]([N@@H+](C)Cc1cc(Cl)ccc1[O-])C(C)(C)C ZINC000132557538 1125419950 /nfs/dbraw/zinc/41/99/50/1125419950.db2.gz AHFDZYKACLWTKI-SNVBAGLBSA-N 0 1 255.789 3.912 20 10 CHCDMN CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000248527202 1129420237 /nfs/dbraw/zinc/42/02/37/1129420237.db2.gz GXHQODOJEUVJCW-GDBMZVCRSA-N 0 1 298.430 3.680 20 10 CHCDMN [O-]c1ccccc1C[N@H+](CC1CCC1)C1CCCC1 ZINC000743847418 1129539335 /nfs/dbraw/zinc/53/93/35/1129539335.db2.gz 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298.405 3.840 20 10 CHCDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825090709 1131498605 /nfs/dbraw/zinc/49/86/05/1131498605.db2.gz FKHSJRJXBJSYLK-MRXNPFEDSA-N 0 1 299.414 3.528 20 10 CHCDMN CC1(C)C[C@H](O)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000825090709 1131498607 /nfs/dbraw/zinc/49/86/07/1131498607.db2.gz FKHSJRJXBJSYLK-MRXNPFEDSA-N 0 1 299.414 3.528 20 10 CHCDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000825090709 1131498608 /nfs/dbraw/zinc/49/86/08/1131498608.db2.gz FKHSJRJXBJSYLK-MRXNPFEDSA-N 0 1 299.414 3.528 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000825341283 1131507039 /nfs/dbraw/zinc/50/70/39/1131507039.db2.gz FTIJEEHCFLWWBL-ZDUSSCGKSA-N 0 1 295.810 3.545 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1Cl ZINC000825406794 1131511028 /nfs/dbraw/zinc/51/10/28/1131511028.db2.gz YZNRRCVCYWKMOB-CJNGLKHVSA-N 0 1 297.826 3.647 20 10 CHCDMN CC[N@@H+](Cc1ccc2c(ccn2C)c1)Cc1ccccc1O ZINC001139191946 1131594162 /nfs/dbraw/zinc/59/41/62/1131594162.db2.gz GEGZQFBCZLKCPE-UHFFFAOYSA-N 0 1 294.398 3.906 20 10 CHCDMN C[N@H+](Cc1ccccc1Cl)Cc1c([O-])c(F)ccc1F ZINC001139682761 1131628132 /nfs/dbraw/zinc/62/81/32/1131628132.db2.gz BTFQRBWTQSCNHW-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN C[N@@H+](Cc1ccccc1Cl)Cc1c([O-])c(F)ccc1F ZINC001139682761 1131628133 /nfs/dbraw/zinc/62/81/33/1131628133.db2.gz BTFQRBWTQSCNHW-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN COc1ccc2c(c1)CN(Cc1c(C)ccc(C)c1O)C2 ZINC001140182498 1131673082 /nfs/dbraw/zinc/67/30/82/1131673082.db2.gz SOTFZAVFYKNPGO-UHFFFAOYSA-N 0 1 283.371 3.533 20 10 CHCDMN C[C@H](CCC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056282 1131679347 /nfs/dbraw/zinc/67/93/47/1131679347.db2.gz SMDJEIDINBEURU-MRVPVSSYSA-N 0 1 281.705 3.866 20 10 CHCDMN C[C@]1(CC[NH2+]Cc2c([O-])cccc2Cl)C[C@@]1(F)Cl ZINC000846040650 1131683295 /nfs/dbraw/zinc/68/32/95/1131683295.db2.gz XPPWBKNUBHGGIK-STQMWFEESA-N 0 1 292.181 3.840 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000846054822 1131685306 /nfs/dbraw/zinc/68/53/06/1131685306.db2.gz QLVPHZGFKXKFQL-UHFFFAOYSA-N 0 1 287.737 3.667 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc2c1CCC2 ZINC000846055272 1131685496 /nfs/dbraw/zinc/68/54/96/1131685496.db2.gz KKXAFLYJPJESAT-UHFFFAOYSA-N 0 1 287.790 3.824 20 10 CHCDMN CC(C)c1cnc(CNCc2cc(Cl)ccc2O)s1 ZINC000846054796 1131685567 /nfs/dbraw/zinc/68/55/67/1131685567.db2.gz GDZGKAUTCKRKRF-UHFFFAOYSA-N 0 1 296.823 3.915 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000834881801 1131717032 /nfs/dbraw/zinc/71/70/32/1131717032.db2.gz BHIHEXYMKJSEEJ-QWHCGFSZSA-N 0 1 293.382 3.531 20 10 CHCDMN CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1O ZINC000834896113 1131721783 /nfs/dbraw/zinc/72/17/83/1131721783.db2.gz UQDFVXSPCNFEHV-ZIAGYGMSSA-N 0 1 287.407 3.637 20 10 CHCDMN C[C@H]([NH2+]CCC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000834906464 1131728834 /nfs/dbraw/zinc/72/88/34/1131728834.db2.gz WVTHKGQTZYJSEH-RYUDHWBXSA-N 0 1 283.799 3.513 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140462208 1131748543 /nfs/dbraw/zinc/74/85/43/1131748543.db2.gz AKDOIHLNVAPKHL-VXGBXAGGSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140462208 1131748550 /nfs/dbraw/zinc/74/85/50/1131748550.db2.gz AKDOIHLNVAPKHL-VXGBXAGGSA-N 0 1 265.784 3.668 20 10 CHCDMN CC[N@@H+](Cc1ccccc1O)Cc1ccc(Cl)cc1O ZINC001140464891 1131751592 /nfs/dbraw/zinc/75/15/92/1131751592.db2.gz FECPOVYMPKTLFX-UHFFFAOYSA-N 0 1 291.778 3.773 20 10 CHCDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])Cc1ccccc1O ZINC001140464891 1131751596 /nfs/dbraw/zinc/75/15/96/1131751596.db2.gz FECPOVYMPKTLFX-UHFFFAOYSA-N 0 1 291.778 3.773 20 10 CHCDMN CC[N@H+](Cc1ccc(Cl)cc1[O-])Cc1ccccc1O ZINC001140464891 1131751600 /nfs/dbraw/zinc/75/16/00/1131751600.db2.gz FECPOVYMPKTLFX-UHFFFAOYSA-N 0 1 291.778 3.773 20 10 CHCDMN Oc1cc(Cl)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC001140466722 1131752609 /nfs/dbraw/zinc/75/26/09/1131752609.db2.gz LOHSYKYGLRTCJL-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC001140466722 1131752612 /nfs/dbraw/zinc/75/26/12/1131752612.db2.gz LOHSYKYGLRTCJL-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC001140466722 1131752617 /nfs/dbraw/zinc/75/26/17/1131752617.db2.gz LOHSYKYGLRTCJL-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC2(CCCC2)C1 ZINC001140583213 1131807457 /nfs/dbraw/zinc/80/74/57/1131807457.db2.gz ZQTSOONLBFMDJR-UHFFFAOYSA-N 0 1 281.346 3.827 20 10 CHCDMN Cc1c(O)ccc(CN(C)Cc2ccccc2Cl)c1O ZINC001140745991 1131905873 /nfs/dbraw/zinc/90/58/73/1131905873.db2.gz RQSNBJORIRGSTQ-UHFFFAOYSA-N 0 1 291.778 3.692 20 10 CHCDMN COc1cccc([C@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)c1 ZINC001140954457 1131972488 /nfs/dbraw/zinc/97/24/88/1131972488.db2.gz SGGYKGAGBDFLAA-INIZCTEOSA-N 0 1 297.398 3.699 20 10 CHCDMN Cc1ccc(C[N@H+]2Cc3ccccc3C(C)(C)C2)c(O)c1 ZINC001140957467 1131974088 /nfs/dbraw/zinc/97/40/88/1131974088.db2.gz ACNSWEDQGYVQHW-UHFFFAOYSA-N 0 1 281.399 3.994 20 10 CHCDMN CC[N@H+](Cc1c([O-])cc(OC)cc1OC)C1CCCCC1 ZINC001141032221 1131988586 /nfs/dbraw/zinc/98/85/86/1131988586.db2.gz WMLCSCWMIJROSW-UHFFFAOYSA-N 0 1 293.407 3.564 20 10 CHCDMN CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)C1CCCCC1 ZINC001141032221 1131988591 /nfs/dbraw/zinc/98/85/91/1131988591.db2.gz WMLCSCWMIJROSW-UHFFFAOYSA-N 0 1 293.407 3.564 20 10 CHCDMN C[C@@H](N[C@@H](C)c1ccns1)c1ccc(N(C)C)cc1 ZINC000715897687 1131994458 /nfs/dbraw/zinc/99/44/58/1131994458.db2.gz DAFCMDSWWVZZIF-NEPJUHHUSA-N 0 1 275.421 3.621 20 10 CHCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248880807 1132151143 /nfs/dbraw/zinc/15/11/43/1132151143.db2.gz NLKYEAKSFSEJGL-GFCCVEGCSA-N 0 1 297.826 3.564 20 10 CHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248880807 1132151150 /nfs/dbraw/zinc/15/11/50/1132151150.db2.gz NLKYEAKSFSEJGL-GFCCVEGCSA-N 0 1 297.826 3.564 20 10 CHCDMN Cc1ncc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)o1 ZINC000840796926 1132288829 /nfs/dbraw/zinc/28/88/29/1132288829.db2.gz PEPPMDQHODSJDO-AWEZNQCLSA-N 0 1 299.418 3.824 20 10 CHCDMN Cc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1 ZINC000840877597 1132300363 /nfs/dbraw/zinc/30/03/63/1132300363.db2.gz ZAQWXKVSPIELTM-UHFFFAOYSA-N 0 1 275.779 3.952 20 10 CHCDMN COC[C@@H]1CCCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840938175 1132309959 /nfs/dbraw/zinc/30/99/59/1132309959.db2.gz LPAAESJIJODXRC-CYBMUJFWSA-N 0 1 297.826 3.603 20 10 CHCDMN COC[C@@H]1CCCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840938175 1132309966 /nfs/dbraw/zinc/30/99/66/1132309966.db2.gz LPAAESJIJODXRC-CYBMUJFWSA-N 0 1 297.826 3.603 20 10 CHCDMN CSCCC[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840942513 1132311555 /nfs/dbraw/zinc/31/15/55/1132311555.db2.gz ZIXGDOQSCHHJJT-UHFFFAOYSA-N 0 1 273.829 3.539 20 10 CHCDMN CSCCC[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840942513 1132311562 /nfs/dbraw/zinc/31/15/62/1132311562.db2.gz ZIXGDOQSCHHJJT-UHFFFAOYSA-N 0 1 273.829 3.539 20 10 CHCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)CC1(C)C ZINC000840950729 1132311788 /nfs/dbraw/zinc/31/17/88/1132311788.db2.gz NKXNNASLUYCHRH-OAHLLOKOSA-N 0 1 297.826 3.601 20 10 CHCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)CC1(C)C ZINC000840950729 1132311792 /nfs/dbraw/zinc/31/17/92/1132311792.db2.gz NKXNNASLUYCHRH-OAHLLOKOSA-N 0 1 297.826 3.601 20 10 CHCDMN Cc1cc(C)c(CN(C)Cc2ccc(F)cc2F)c(O)c1 ZINC001231846125 1132378225 /nfs/dbraw/zinc/37/82/25/1132378225.db2.gz BHWGRGPOCDCMPH-UHFFFAOYSA-N 0 1 291.341 3.919 20 10 CHCDMN COc1cc(N(C)C)ccc1CN1CC[C@@H]1c1ccccc1 ZINC001231854226 1132378726 /nfs/dbraw/zinc/37/87/26/1132378726.db2.gz BYJYKHKWFWCPLE-GOSISDBHSA-N 0 1 296.414 3.708 20 10 CHCDMN Cc1cc(O)c(C[N@@H+](CC2CC2)C2CC2)cc1Cl ZINC001231870056 1132384980 /nfs/dbraw/zinc/38/49/80/1132384980.db2.gz HNRWAUXEDQNDTP-UHFFFAOYSA-N 0 1 265.784 3.728 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](CC2CC2)C2CC2)cc1Cl ZINC001231870056 1132384985 /nfs/dbraw/zinc/38/49/85/1132384985.db2.gz HNRWAUXEDQNDTP-UHFFFAOYSA-N 0 1 265.784 3.728 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](CC2CC2)C2CC2)cc1Cl ZINC001231870056 1132384992 /nfs/dbraw/zinc/38/49/92/1132384992.db2.gz HNRWAUXEDQNDTP-UHFFFAOYSA-N 0 1 265.784 3.728 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2C[C@@H](C)CC23CC3)cc1Cl ZINC001231869947 1132385667 /nfs/dbraw/zinc/38/56/67/1132385667.db2.gz BQBSYCFDGBKEQR-JTQLQIEISA-N 0 1 265.784 3.728 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)CC23CC3)cc1Cl ZINC001231869947 1132385674 /nfs/dbraw/zinc/38/56/74/1132385674.db2.gz BQBSYCFDGBKEQR-JTQLQIEISA-N 0 1 265.784 3.728 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)CC23CC3)cc1Cl ZINC001231869947 1132385682 /nfs/dbraw/zinc/38/56/82/1132385682.db2.gz BQBSYCFDGBKEQR-JTQLQIEISA-N 0 1 265.784 3.728 20 10 CHCDMN COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841745495 1132388285 /nfs/dbraw/zinc/38/82/85/1132388285.db2.gz YYVCPABPQGSEGL-LLVKDONJSA-N 0 1 291.778 3.905 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc2ccccc21 ZINC001231878802 1132389308 /nfs/dbraw/zinc/38/93/08/1132389308.db2.gz UTRGFOLCMIPYHF-QAPCUYQASA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc2ccccc21 ZINC001231878802 1132389312 /nfs/dbraw/zinc/38/93/12/1132389312.db2.gz UTRGFOLCMIPYHF-QAPCUYQASA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@]3(C2)CCCCO3)ccc2ccccc21 ZINC001231879380 1132389650 /nfs/dbraw/zinc/38/96/50/1132389650.db2.gz DECJKGSGNDSMGP-IBGZPJMESA-N 0 1 297.398 3.690 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@]3(C2)CCCCO3)ccc2ccccc21 ZINC001231879380 1132389658 /nfs/dbraw/zinc/38/96/58/1132389658.db2.gz DECJKGSGNDSMGP-IBGZPJMESA-N 0 1 297.398 3.690 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCCC[C@H](F)C2)ccc2ccccc21 ZINC001231879614 1132389852 /nfs/dbraw/zinc/38/98/52/1132389852.db2.gz KQWUXYXZOIFHKB-HNNXBMFYSA-N 0 1 273.351 3.869 20 10 CHCDMN [O-]c1c(C[N@H+]2CCCC[C@H](F)C2)ccc2ccccc21 ZINC001231879614 1132389856 /nfs/dbraw/zinc/38/98/56/1132389856.db2.gz KQWUXYXZOIFHKB-HNNXBMFYSA-N 0 1 273.351 3.869 20 10 CHCDMN Cc1ccoc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841759042 1132393563 /nfs/dbraw/zinc/39/35/63/1132393563.db2.gz XCYHRYHOUUOEKF-SNVBAGLBSA-N 0 1 265.740 3.798 20 10 CHCDMN Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])nc1C ZINC000841756738 1132394709 /nfs/dbraw/zinc/39/47/09/1132394709.db2.gz JROYFMNDANWAAV-GFCCVEGCSA-N 0 1 290.794 3.908 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001231914140 1132398523 /nfs/dbraw/zinc/39/85/23/1132398523.db2.gz YHUJSFWCOOTASN-UHFFFAOYSA-N 0 1 295.810 3.579 20 10 CHCDMN Cc1cccc(CC[N@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001142524981 1132403188 /nfs/dbraw/zinc/40/31/88/1132403188.db2.gz RPBMVXPAVREZBF-UHFFFAOYSA-N 0 1 291.341 3.653 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001142526972 1132403217 /nfs/dbraw/zinc/40/32/17/1132403217.db2.gz DFVTYTMPHLIQOO-UHFFFAOYSA-N 0 1 289.325 3.835 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C1CCCCC1 ZINC001232259097 1132443941 /nfs/dbraw/zinc/44/39/41/1132443941.db2.gz SDFYJUZLJHEULT-UHFFFAOYSA-N 0 1 283.799 3.906 20 10 CHCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC001232269508 1132446747 /nfs/dbraw/zinc/44/67/47/1132446747.db2.gz CKAHMLJZWUKLAX-SMDDNHRTSA-N 0 1 295.810 3.819 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC001232269508 1132446750 /nfs/dbraw/zinc/44/67/50/1132446750.db2.gz CKAHMLJZWUKLAX-SMDDNHRTSA-N 0 1 295.810 3.819 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC001232269508 1132446753 /nfs/dbraw/zinc/44/67/53/1132446753.db2.gz CKAHMLJZWUKLAX-SMDDNHRTSA-N 0 1 295.810 3.819 20 10 CHCDMN Oc1cc(O)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1Cl ZINC001232267677 1132446813 /nfs/dbraw/zinc/44/68/13/1132446813.db2.gz KEIYXHQQGLETGY-NEPJUHHUSA-N 0 1 295.810 3.763 20 10 CHCDMN [O-]c1cc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1Cl ZINC001232267677 1132446816 /nfs/dbraw/zinc/44/68/16/1132446816.db2.gz KEIYXHQQGLETGY-NEPJUHHUSA-N 0 1 295.810 3.763 20 10 CHCDMN [O-]c1cc(O)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1Cl ZINC001232267677 1132446820 /nfs/dbraw/zinc/44/68/20/1132446820.db2.gz KEIYXHQQGLETGY-NEPJUHHUSA-N 0 1 295.810 3.763 20 10 CHCDMN COc1cc([O-])c(C[NH+]2CCC(C(C)C)CC2)cc1Cl ZINC001232269767 1132447510 /nfs/dbraw/zinc/44/75/10/1132447510.db2.gz KHYJFBYGDCBKMA-UHFFFAOYSA-N 0 1 297.826 3.922 20 10 CHCDMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143103856 1132502464 /nfs/dbraw/zinc/50/24/64/1132502464.db2.gz LXMYJEGWQKZJTE-YPMHNXCESA-N 0 1 265.372 3.622 20 10 CHCDMN CC[N@H+](CCSC)Cc1ccc2ccccc2c1[O-] ZINC000843437364 1132535466 /nfs/dbraw/zinc/53/54/66/1132535466.db2.gz FAMTUBGHKHVTSV-UHFFFAOYSA-N 0 1 275.417 3.730 20 10 CHCDMN CC[N@@H+](CCSC)Cc1ccc2ccccc2c1[O-] ZINC000843437364 1132535473 /nfs/dbraw/zinc/53/54/73/1132535473.db2.gz FAMTUBGHKHVTSV-UHFFFAOYSA-N 0 1 275.417 3.730 20 10 CHCDMN [O-]c1c(C[N@H+]2CCCC3(CC(F)C3)CC2)ccc(F)c1F ZINC001233078142 1132569712 /nfs/dbraw/zinc/56/97/12/1132569712.db2.gz HTMVGELDSWDVEN-UHFFFAOYSA-N 0 1 299.336 3.775 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])Cc2ccccc21 ZINC001233074245 1132570709 /nfs/dbraw/zinc/57/07/09/1132570709.db2.gz LTGBDAOHTPQFTB-LLVKDONJSA-N 0 1 289.325 3.790 20 10 CHCDMN CC(C)(C)c1ccc(O)c(CN2CCC[C@@H](F)C2)c1 ZINC001233285887 1132594174 /nfs/dbraw/zinc/59/41/74/1132594174.db2.gz WTJXFMKUOOAYTK-CQSZACIVSA-N 0 1 265.372 3.624 20 10 CHCDMN CC(C)(C)c1ccc(O)c(CN2CCc3cnccc3C2)c1 ZINC001233284446 1132594914 /nfs/dbraw/zinc/59/49/14/1132594914.db2.gz VCPKXEMNKOORAC-UHFFFAOYSA-N 0 1 296.414 3.643 20 10 CHCDMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233335892 1132603084 /nfs/dbraw/zinc/60/30/84/1132603084.db2.gz PWTFQTBUFORUER-NSHDSACASA-N 0 1 289.325 3.617 20 10 CHCDMN C[N@H+](Cc1c([O-])ccc(F)c1F)CC1CCCCC1 ZINC001233335481 1132603800 /nfs/dbraw/zinc/60/38/00/1132603800.db2.gz WYZJLTIQMBTEDT-UHFFFAOYSA-N 0 1 269.335 3.683 20 10 CHCDMN Cc1cc(Nc2cc(F)ccc2O)c2ccccc2n1 ZINC001174624529 1132930483 /nfs/dbraw/zinc/93/04/83/1132930483.db2.gz JMEUMRQNDOTTSW-UHFFFAOYSA-N 0 1 268.291 3.553 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCC23CC3)c(Cl)c1 ZINC001203331481 1133316563 /nfs/dbraw/zinc/31/65/63/1133316563.db2.gz AMLODTPAEXCYBQ-AWEZNQCLSA-N 0 1 265.784 3.776 20 10 CHCDMN COc1ccc(C2=CC[N@@H+](Cc3ccccc3O)CC2)cc1 ZINC001203560546 1133339966 /nfs/dbraw/zinc/33/99/66/1133339966.db2.gz CFIQXFIXMROJFL-UHFFFAOYSA-N 0 1 295.382 3.690 20 10 CHCDMN C[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CC1(C)C ZINC001203645345 1133346155 /nfs/dbraw/zinc/34/61/55/1133346155.db2.gz BVLGUSRMLDVEQS-NSHDSACASA-N 0 1 298.224 3.633 20 10 CHCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CC1(C)C ZINC001203645345 1133346159 /nfs/dbraw/zinc/34/61/59/1133346159.db2.gz BVLGUSRMLDVEQS-NSHDSACASA-N 0 1 298.224 3.633 20 10 CHCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CC1(C)C ZINC001203645345 1133346161 /nfs/dbraw/zinc/34/61/61/1133346161.db2.gz BVLGUSRMLDVEQS-NSHDSACASA-N 0 1 298.224 3.633 20 10 CHCDMN C[N@@H+](CCc1ccccc1F)Cc1cc(Cl)ccc1O ZINC001203664681 1133351419 /nfs/dbraw/zinc/35/14/19/1133351419.db2.gz PLPDHEIWBALXDW-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN C[N@H+](CCc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC001203664681 1133351425 /nfs/dbraw/zinc/35/14/25/1133351425.db2.gz PLPDHEIWBALXDW-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN C[N@@H+](CCc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC001203664681 1133351433 /nfs/dbraw/zinc/35/14/33/1133351433.db2.gz PLPDHEIWBALXDW-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN Cc1cccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])c1 ZINC001205069849 1133522484 /nfs/dbraw/zinc/52/24/84/1133522484.db2.gz IASXNCOVAKYCIS-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C ZINC001205470633 1133580587 /nfs/dbraw/zinc/58/05/87/1133580587.db2.gz BEHYKYJAGMWUDP-MNOVXSKESA-N 0 1 298.224 3.775 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC001205550940 1133586967 /nfs/dbraw/zinc/58/69/67/1133586967.db2.gz GDYGHQJZCYHEMQ-JTQLQIEISA-N 0 1 253.773 3.586 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC001205550940 1133586972 /nfs/dbraw/zinc/58/69/72/1133586972.db2.gz GDYGHQJZCYHEMQ-JTQLQIEISA-N 0 1 253.773 3.586 20 10 CHCDMN CC(C)[C@@H]1N(Cc2cc(F)c(N(C)C)cc2F)CC1(C)C ZINC001206040942 1133646620 /nfs/dbraw/zinc/64/66/20/1133646620.db2.gz QRXYWZJUPQVAHA-INIZCTEOSA-N 0 1 296.405 3.897 20 10 CHCDMN Cc1cc(O)c(CN2CCc3ccsc3C2)cc1Cl ZINC001207719633 1133840711 /nfs/dbraw/zinc/84/07/11/1133840711.db2.gz NVIQHOCWTJVEMU-UHFFFAOYSA-N 0 1 293.819 3.974 20 10 CHCDMN CN1CC=C(Nc2cccc3c2C(=O)c2ccccc2-3)CC1 ZINC001208909816 1133962185 /nfs/dbraw/zinc/96/21/85/1133962185.db2.gz GTKGTXWEISQTET-UHFFFAOYSA-N 0 1 290.366 3.529 20 10 CHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cc(F)ccc1F ZINC000020146104 171031712 /nfs/dbraw/zinc/03/17/12/171031712.db2.gz YJAKZBKUOIKLFU-LBPRGKRZSA-N 0 1 290.357 3.882 20 10 CHCDMN CC[C@@H]([NH2+]CC1CCC1)c1cc(Br)ccc1[O-] ZINC000037179918 173012694 /nfs/dbraw/zinc/01/26/94/173012694.db2.gz VRMRIYUZXIMTBT-CYBMUJFWSA-N 0 1 298.224 3.996 20 10 CHCDMN COc1cccc(CN[C@@H](C)c2c(F)cccc2F)c1O ZINC000037771715 260116329 /nfs/dbraw/zinc/11/63/29/260116329.db2.gz IHYJJDAVRVQLST-JTQLQIEISA-N 0 1 293.313 3.530 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000152029509 261058597 /nfs/dbraw/zinc/05/85/97/261058597.db2.gz UPRVPWAWPKJRAE-CYBMUJFWSA-N 0 1 258.365 3.587 20 10 CHCDMN CC[C@@H](NCc1c(C)noc1C)c1ccc(N(C)C)cc1 ZINC000153942200 261085778 /nfs/dbraw/zinc/08/57/78/261085778.db2.gz YSAJVCJFWVEUKL-QGZVFWFLSA-N 0 1 287.407 3.598 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000157884398 261154792 /nfs/dbraw/zinc/15/47/92/261154792.db2.gz YIJYIBHAKFQSRF-ZXIHIIQKSA-N 0 1 295.810 3.654 20 10 CHCDMN COc1cc(Cl)cc(CN(C)Cc2ccoc2C)c1O ZINC000184683484 262025863 /nfs/dbraw/zinc/02/58/63/262025863.db2.gz KHDSLOYDQJBCRW-UHFFFAOYSA-N 0 1 295.766 3.588 20 10 CHCDMN Cc1noc(C)c1CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185395799 262052984 /nfs/dbraw/zinc/05/29/84/262052984.db2.gz JXCFVJYCINLXFY-SECBINFHSA-N 0 1 294.782 3.544 20 10 CHCDMN C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000186515141 262096214 /nfs/dbraw/zinc/09/62/14/262096214.db2.gz YCANDAKMZMTIHR-WCQYABFASA-N 0 1 283.799 3.655 20 10 CHCDMN CC(C)Cn1cc(N[C@@H](C)c2ccc(F)c(F)c2O)cn1 ZINC000276939554 328220510 /nfs/dbraw/zinc/22/05/10/328220510.db2.gz PGTZXDRADLYWHK-JTQLQIEISA-N 0 1 295.333 3.696 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281607686 328240171 /nfs/dbraw/zinc/24/01/71/328240171.db2.gz KLQOFDJKUDCROS-SECBINFHSA-N 0 1 275.726 3.571 20 10 CHCDMN C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000184569727 329259943 /nfs/dbraw/zinc/25/99/43/329259943.db2.gz GVHHDCFXEAUEEC-BLLLJJGKSA-N 0 1 286.350 3.509 20 10 CHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000529617808 333501598 /nfs/dbraw/zinc/50/15/98/333501598.db2.gz PJZFFJPRYIASIS-IIMNLJJBSA-N 0 1 265.784 3.570 20 10 CHCDMN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000273482407 519805950 /nfs/dbraw/zinc/80/59/50/519805950.db2.gz MGVVBLHMWWBDQO-GHJWDPDVSA-N 0 1 297.826 3.900 20 10 CHCDMN CCCN(Cc1nc(C)c(C)s1)Cc1ccccc1O ZINC000088602565 521692814 /nfs/dbraw/zinc/69/28/14/521692814.db2.gz XWPOCPJTWXPSHD-UHFFFAOYSA-N 0 1 290.432 3.878 20 10 CHCDMN CCc1nc(C)c(CNCc2cc(Cl)cc(C)c2O)o1 ZINC000292815842 522206421 /nfs/dbraw/zinc/20/64/21/522206421.db2.gz PGXOTNPEZSXIIR-UHFFFAOYSA-N 0 1 294.782 3.503 20 10 CHCDMN CCn1ccnc1[C@@H]1CCCCN1Cc1cc(C)ccc1O ZINC000281087836 523552912 /nfs/dbraw/zinc/55/29/12/523552912.db2.gz JXNXVMZPIZNUOE-INIZCTEOSA-N 0 1 299.418 3.644 20 10 CHCDMN COc1ccc(CN[C@H](C)c2ccccc2OC)cc1C ZINC000035052664 524090136 /nfs/dbraw/zinc/09/01/36/524090136.db2.gz IGDFBUBUPAHVJY-CQSZACIVSA-N 0 1 285.387 3.863 20 10 CHCDMN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2c(F)cncc2F)c1 ZINC000285731444 525363416 /nfs/dbraw/zinc/36/34/16/525363416.db2.gz QTYWWSGWYCKREH-MNOVXSKESA-N 0 1 292.329 3.786 20 10 CHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC000037218853 525445751 /nfs/dbraw/zinc/44/57/51/525445751.db2.gz DJCWAKDOFLTLMW-HNNXBMFYSA-N 0 1 281.403 3.533 20 10 CHCDMN Cc1cnc(C(C)(C)NCc2cc(C)c(C)cc2O)s1 ZINC000080346835 525981974 /nfs/dbraw/zinc/98/19/74/525981974.db2.gz LVRNLXZYCTUIBM-UHFFFAOYSA-N 0 1 290.432 3.799 20 10 CHCDMN C[C@@H]1CCCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000211452857 1118048981 /nfs/dbraw/zinc/04/89/81/1118048981.db2.gz DEEOUNRRIQQUCA-LLVKDONJSA-N 0 1 298.224 3.919 20 10 CHCDMN C[C@@H]1CCCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000211452857 1118048987 /nfs/dbraw/zinc/04/89/87/1118048987.db2.gz DEEOUNRRIQQUCA-LLVKDONJSA-N 0 1 298.224 3.919 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000211600778 1118146584 /nfs/dbraw/zinc/14/65/84/1118146584.db2.gz OVEVCCWHPWSUED-AOOOYVTPSA-N 0 1 286.202 3.931 20 10 CHCDMN COc1cc(C[NH2+]Cc2c([O-])cccc2Cl)ccc1C ZINC000113329491 1125494645 /nfs/dbraw/zinc/49/46/45/1125494645.db2.gz HSASZXOGCOKGCK-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1cc(Cl)ccc1[O-] ZINC000775512318 1122633560 /nfs/dbraw/zinc/63/35/60/1122633560.db2.gz JBJKVQJMYYZUHB-WCQYABFASA-N 0 1 285.840 3.982 20 10 CHCDMN CC[C@@H]([NH2+]CCc1cscn1)c1cc(Cl)ccc1[O-] ZINC000775513027 1122634467 /nfs/dbraw/zinc/63/44/67/1122634467.db2.gz DXTGEOSSNXZBDA-CYBMUJFWSA-N 0 1 296.823 3.786 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000775670160 1122884704 /nfs/dbraw/zinc/88/47/04/1122884704.db2.gz UQRYCZBWMKGIOX-CQSZACIVSA-N 0 1 283.774 3.949 20 10 CHCDMN CCSC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000850553541 1123290288 /nfs/dbraw/zinc/29/02/88/1123290288.db2.gz YMDPEBBZEMMICY-JTQLQIEISA-N 0 1 285.840 3.982 20 10 CHCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000124535883 1124771898 /nfs/dbraw/zinc/77/18/98/1124771898.db2.gz BYWHJIZTOAZSKR-UHFFFAOYSA-N 0 1 253.773 3.810 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140339494 1131702597 /nfs/dbraw/zinc/70/25/97/1131702597.db2.gz VNMPEGHADDFPAQ-NWDGAFQWSA-N 0 1 265.784 3.668 20 10 CHCDMN C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(Cl)cc1[O-] ZINC001140461953 1131748879 /nfs/dbraw/zinc/74/88/79/1131748879.db2.gz ZWWNRSKJVHYIJW-QWRGUYRKSA-N 0 1 253.773 3.809 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)[C@H](C)C1 ZINC001140466425 1131752571 /nfs/dbraw/zinc/75/25/71/1131752571.db2.gz FJMAXEXBNQVTNS-GHMZBOCLSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001140466425 1131752576 /nfs/dbraw/zinc/75/25/76/1131752576.db2.gz FJMAXEXBNQVTNS-GHMZBOCLSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001140466425 1131752581 /nfs/dbraw/zinc/75/25/81/1131752581.db2.gz FJMAXEXBNQVTNS-GHMZBOCLSA-N 0 1 253.773 3.666 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C)c1[O-] ZINC000037322572 1132028215 /nfs/dbraw/zinc/02/82/15/1132028215.db2.gz VJVQQHMAHDJXAC-SNVBAGLBSA-N 0 1 281.783 3.623 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C)c1[O-] ZINC000037322572 1132028224 /nfs/dbraw/zinc/02/82/24/1132028224.db2.gz VJVQQHMAHDJXAC-SNVBAGLBSA-N 0 1 281.783 3.623 20 10 CHCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248880808 1132151223 /nfs/dbraw/zinc/15/12/23/1132151223.db2.gz NLKYEAKSFSEJGL-LBPRGKRZSA-N 0 1 297.826 3.564 20 10 CHCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248880808 1132151226 /nfs/dbraw/zinc/15/12/26/1132151226.db2.gz NLKYEAKSFSEJGL-LBPRGKRZSA-N 0 1 297.826 3.564 20 10 CHCDMN CCOCC(C)(C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840946880 1132311070 /nfs/dbraw/zinc/31/10/70/1132311070.db2.gz PXWYNOMFXHDSBE-UHFFFAOYSA-N 0 1 285.815 3.506 20 10 CHCDMN CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233451611 1132625758 /nfs/dbraw/zinc/62/57/58/1132625758.db2.gz RPGVLQMUOKJODL-UHFFFAOYSA-N 0 1 273.298 3.643 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000884482663 1125567598 /nfs/dbraw/zinc/56/75/98/1125567598.db2.gz GEDKAKKDTFRYBR-BEFAXECRSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000884482663 1125567601 /nfs/dbraw/zinc/56/76/01/1125567601.db2.gz GEDKAKKDTFRYBR-BEFAXECRSA-N 0 1 297.398 3.546 20 10 CHCDMN CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841755524 1125592469 /nfs/dbraw/zinc/59/24/69/1125592469.db2.gz IHNDGUOIAAIRLV-QWRGUYRKSA-N 0 1 293.798 3.674 20 10 CHCDMN CCOc1cccc(C[N@H+]2CCCCC[C@H]2CC)c1O ZINC000135644505 1125594293 /nfs/dbraw/zinc/59/42/93/1125594293.db2.gz BNLKLFHULVBCKF-OAHLLOKOSA-N 0 1 277.408 3.946 20 10 CHCDMN CCOc1cccc(CNCc2cscc2Cl)c1O ZINC000886199015 1125661802 /nfs/dbraw/zinc/66/18/02/1125661802.db2.gz IBNBHVLCRNHIJX-UHFFFAOYSA-N 0 1 297.807 3.796 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCc2ccsc2C1 ZINC000760284822 1125718416 /nfs/dbraw/zinc/71/84/16/1125718416.db2.gz GTJDVQFHXRISLJ-UHFFFAOYSA-N 0 1 296.395 3.560 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCc2ccsc2C1 ZINC000760284822 1125718423 /nfs/dbraw/zinc/71/84/23/1125718423.db2.gz GTJDVQFHXRISLJ-UHFFFAOYSA-N 0 1 296.395 3.560 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C2(C)CC=CC2)cc1Cl ZINC000826534626 1125748170 /nfs/dbraw/zinc/74/81/70/1125748170.db2.gz IOKLCXSXFUAIES-UHFFFAOYSA-N 0 1 251.757 3.552 20 10 CHCDMN CCC[N@@H+](Cc1scnc1C)Cc1ccccc1O ZINC000092705057 1125761809 /nfs/dbraw/zinc/76/18/09/1125761809.db2.gz OSZWFFFKWOEIPU-UHFFFAOYSA-N 0 1 276.405 3.569 20 10 CHCDMN C[C@@H](NCc1cnc(Cl)s1)c1ccc(N(C)C)cc1 ZINC000718187618 1129257735 /nfs/dbraw/zinc/25/77/35/1129257735.db2.gz PHWBABIROVPZBS-SNVBAGLBSA-N 0 1 295.839 3.713 20 10 CHCDMN CC[C@H](NCc1ncc(Cl)s1)c1ccccc1O ZINC000719395048 1129332210 /nfs/dbraw/zinc/33/22/10/1129332210.db2.gz OHTKWENUQAZXQA-JTQLQIEISA-N 0 1 282.796 3.743 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000379795250 1129660071 /nfs/dbraw/zinc/66/00/71/1129660071.db2.gz LASLYGYMQKFTAU-JIMOISOXSA-N 0 1 298.224 3.994 20 10 CHCDMN CCc1ccc([C@H](COC)N[C@H](C)c2ccccc2O)o1 ZINC000183530185 1126888879 /nfs/dbraw/zinc/88/88/79/1126888879.db2.gz FCNMNCRQAMFMOX-DOMZBBRYSA-N 0 1 289.375 3.586 20 10 CHCDMN COC[C@H](N[C@@H](C)c1ccc(C)cc1O)c1ccc(C)o1 ZINC000185630813 1126901071 /nfs/dbraw/zinc/90/10/71/1126901071.db2.gz SLOMKYBQJJBJIL-ZFWWWQNUSA-N 0 1 289.375 3.640 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc2ccccc2c1[O-] ZINC000187975039 1126917426 /nfs/dbraw/zinc/91/74/26/1126917426.db2.gz QPRHFEQVTDMZFN-DDUZABMNSA-N 0 1 299.414 3.747 20 10 CHCDMN CSC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000193821563 1126971247 /nfs/dbraw/zinc/97/12/47/1126971247.db2.gz FKRGUNYHSXNWTI-SECBINFHSA-N 0 1 271.813 3.592 20 10 CHCDMN CC1=C[C@H](C)C[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000797605125 1130997830 /nfs/dbraw/zinc/99/78/30/1130997830.db2.gz NCVPQZRVAXMKJP-JTQLQIEISA-N 0 1 296.208 3.553 20 10 CHCDMN CC1=C[C@H](C)C[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000797605125 1130997834 /nfs/dbraw/zinc/99/78/34/1130997834.db2.gz NCVPQZRVAXMKJP-JTQLQIEISA-N 0 1 296.208 3.553 20 10 CHCDMN C[C@@H]1CCCC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122555 1131056896 /nfs/dbraw/zinc/05/68/96/1131056896.db2.gz VYZMQHQWXPIRQT-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN C[C@@H]1CCCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122555 1131056900 /nfs/dbraw/zinc/05/69/00/1131056900.db2.gz VYZMQHQWXPIRQT-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN C[C@H]([NH2+]C1CC(C)C1)c1ccc2ccccc2c1[O-] ZINC000168838474 1127472181 /nfs/dbraw/zinc/47/21/81/1127472181.db2.gz XXTVFKYGNPIUSH-LXVYMNJGSA-N 0 1 255.361 3.995 20 10 CHCDMN CC(C)c1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)on1 ZINC000169228353 1127491608 /nfs/dbraw/zinc/49/16/08/1127491608.db2.gz BLWYWTJIYBWXTH-ZDUSSCGKSA-N 0 1 287.407 3.715 20 10 CHCDMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293558094 1127505774 /nfs/dbraw/zinc/50/57/74/1127505774.db2.gz HTCAVWIIGRCXOP-JTQLQIEISA-N 0 1 294.757 3.773 20 10 CHCDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293711170 1127514685 /nfs/dbraw/zinc/51/46/85/1127514685.db2.gz UTHMNVBWSPYSBN-JTQLQIEISA-N 0 1 294.757 3.773 20 10 CHCDMN C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293748646 1127517469 /nfs/dbraw/zinc/51/74/69/1127517469.db2.gz XWASRFMNVJXZFL-SNVBAGLBSA-N 0 1 294.757 3.773 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)CC(C)(C)C)c1[O-] ZINC000228630971 1127576234 /nfs/dbraw/zinc/57/62/34/1127576234.db2.gz PVGRSZNCUNAZRT-UHFFFAOYSA-N 0 1 271.788 3.532 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)C)c1[O-] ZINC000228630971 1127576236 /nfs/dbraw/zinc/57/62/36/1127576236.db2.gz PVGRSZNCUNAZRT-UHFFFAOYSA-N 0 1 271.788 3.532 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])CC(C)C ZINC000228607256 1127571787 /nfs/dbraw/zinc/57/17/87/1127571787.db2.gz IXRCHPYQMHATEK-UHFFFAOYSA-N 0 1 271.788 3.532 20 10 CHCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])CC(C)C ZINC000228607256 1127571789 /nfs/dbraw/zinc/57/17/89/1127571789.db2.gz IXRCHPYQMHATEK-UHFFFAOYSA-N 0 1 271.788 3.532 20 10 CHCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccccn1 ZINC000294715822 1127593809 /nfs/dbraw/zinc/59/38/09/1127593809.db2.gz DZDLQWMHAXXQBD-UHFFFAOYSA-N 0 1 290.794 3.508 20 10 CHCDMN Cc1ccc(O)c([C@H](C)NCc2cc(F)cnc2Cl)c1 ZINC000296245885 1127666371 /nfs/dbraw/zinc/66/63/71/1127666371.db2.gz BADMUUIXEXMGKF-JTQLQIEISA-N 0 1 294.757 3.739 20 10 CHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccsc1 ZINC000061360800 1127685842 /nfs/dbraw/zinc/68/58/42/1127685842.db2.gz NWAPLRLZMNVURO-SECBINFHSA-N 0 1 267.781 3.958 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000230413071 1127752207 /nfs/dbraw/zinc/75/22/07/1127752207.db2.gz WCRLUSGGDHFJDC-IJLUTSLNSA-N 0 1 251.345 3.618 20 10 CHCDMN C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000230672531 1127770742 /nfs/dbraw/zinc/77/07/42/1127770742.db2.gz PXXDEJIQSDOXCA-KBPBESRZSA-N 0 1 285.387 3.623 20 10 CHCDMN C[C@H]1CCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000230667135 1127770923 /nfs/dbraw/zinc/77/09/23/1127770923.db2.gz NSKAFBHDCSXJPW-QWRGUYRKSA-N 0 1 253.773 3.571 20 10 CHCDMN CCCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000230668549 1127771221 /nfs/dbraw/zinc/77/12/21/1127771221.db2.gz NRFBAJVRROCYFH-NSHDSACASA-N 0 1 251.345 3.762 20 10 CHCDMN C[C@@H]([NH2+]CCCCF)c1ccc2ccccc2c1[O-] ZINC000382494971 1127903867 /nfs/dbraw/zinc/90/38/67/1127903867.db2.gz IZKGKWACNJXFAX-GFCCVEGCSA-N 0 1 261.340 3.946 20 10 CHCDMN C[C@H]([NH2+]CCCCF)c1ccc2ccccc2c1[O-] ZINC000382494974 1127904188 /nfs/dbraw/zinc/90/41/88/1127904188.db2.gz IZKGKWACNJXFAX-LBPRGKRZSA-N 0 1 261.340 3.946 20 10 CHCDMN C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000296633510 1129223759 /nfs/dbraw/zinc/22/37/59/1129223759.db2.gz XNOSIUGAVQRCAD-CHWSQXEVSA-N 0 1 287.403 3.746 20 10 CHCDMN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CC1 ZINC000324229945 1128160308 /nfs/dbraw/zinc/16/03/08/1128160308.db2.gz GXWMJOBWRWZBDS-BONVTDFDSA-N 0 1 251.345 3.617 20 10 CHCDMN Cc1ccc(F)c(CN[C@H](C)c2ccccc2O)c1F ZINC000931555337 1128368998 /nfs/dbraw/zinc/36/89/98/1128368998.db2.gz XRLYKCUPEWKNQO-LLVKDONJSA-N 0 1 277.314 3.830 20 10 CHCDMN Cc1ccc([C@H](C)NCc2ccc3c(c2)CCCO3)o1 ZINC000921489478 1128710643 /nfs/dbraw/zinc/71/06/43/1128710643.db2.gz JDUUJBQKASSDRF-ZDUSSCGKSA-N 0 1 271.360 3.764 20 10 CHCDMN C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cc(F)ccc1[O-] ZINC000185829533 1117914134 /nfs/dbraw/zinc/91/41/34/1117914134.db2.gz PVQRICXYYLIYQF-LRDDRELGSA-N 0 1 295.398 3.513 20 10 CHCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccccn1 ZINC000073394633 1118034144 /nfs/dbraw/zinc/03/41/44/1118034144.db2.gz LWYOIWKUTVFZEE-UHFFFAOYSA-N 0 1 295.430 3.704 20 10 CHCDMN C[C@@H]1CCCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000211452857 1118048976 /nfs/dbraw/zinc/04/89/76/1118048976.db2.gz DEEOUNRRIQQUCA-LLVKDONJSA-N 0 1 298.224 3.919 20 10 CHCDMN C[C@H]1CCCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552200 1118169626 /nfs/dbraw/zinc/16/96/26/1118169626.db2.gz XDXZQYVVDZSAKX-RYUDHWBXSA-N 0 1 267.800 3.962 20 10 CHCDMN CCN(CC)c1ccc(CN(C)Cc2cncc(C)c2)cc1 ZINC000785439970 1118202127 /nfs/dbraw/zinc/20/21/27/1118202127.db2.gz SOLSONIBIJOKIW-UHFFFAOYSA-N 0 1 297.446 3.868 20 10 CHCDMN C[C@@H](c1ccco1)[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000179984961 1128769611 /nfs/dbraw/zinc/76/96/11/1128769611.db2.gz LJKUWBRBKPLNPF-NSHDSACASA-N 0 1 275.323 3.850 20 10 CHCDMN CC[C@@H](C)C[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000093251804 1118593494 /nfs/dbraw/zinc/59/34/94/1118593494.db2.gz WMBHZYMOWUYRKP-LLVKDONJSA-N 0 1 281.371 3.602 20 10 CHCDMN CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C1CCCCC1 ZINC000891438309 1118632129 /nfs/dbraw/zinc/63/21/29/1118632129.db2.gz IVGRPIGQCWNNKF-UHFFFAOYSA-N 0 1 293.407 3.564 20 10 CHCDMN [O-]c1cccc(Br)c1C[NH+]1CCCCCC1 ZINC000707135042 1118640987 /nfs/dbraw/zinc/64/09/87/1118640987.db2.gz MWFJNNOENDYRSH-UHFFFAOYSA-N 0 1 284.197 3.531 20 10 CHCDMN CC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707141272 1118648938 /nfs/dbraw/zinc/64/89/38/1118648938.db2.gz XFUNLARYAOMVIS-LLVKDONJSA-N 0 1 298.224 3.777 20 10 CHCDMN CC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707141272 1118648939 /nfs/dbraw/zinc/64/89/39/1118648939.db2.gz XFUNLARYAOMVIS-LLVKDONJSA-N 0 1 298.224 3.777 20 10 CHCDMN C[N@@H+](CCOC1CCCCCC1)Cc1ccccc1O ZINC000077284290 1118661884 /nfs/dbraw/zinc/66/18/84/1118661884.db2.gz ARVNSODZQIYCLJ-UHFFFAOYSA-N 0 1 277.408 3.563 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001140461941 1118720582 /nfs/dbraw/zinc/72/05/82/1118720582.db2.gz ZKRCTTXQIJYXMN-LBPRGKRZSA-N 0 1 293.716 3.615 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001140461941 1118720585 /nfs/dbraw/zinc/72/05/85/1118720585.db2.gz ZKRCTTXQIJYXMN-LBPRGKRZSA-N 0 1 293.716 3.615 20 10 CHCDMN COCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000386534309 1118980453 /nfs/dbraw/zinc/98/04/53/1118980453.db2.gz PTCLBKGFFKMWAL-UHFFFAOYSA-N 0 1 292.206 3.556 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000309587830 1119523185 /nfs/dbraw/zinc/52/31/85/1119523185.db2.gz SQJNWIPLYVMSRD-HOTUBEGUSA-N 0 1 284.197 3.604 20 10 CHCDMN Oc1ccccc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000187594742 1119906495 /nfs/dbraw/zinc/90/64/95/1119906495.db2.gz OHCCLSUNXKLTPX-CYBMUJFWSA-N 0 1 289.325 3.660 20 10 CHCDMN CC[C@H]([NH2+]C1CC(C)C1)c1cc(Br)ccc1[O-] ZINC000163655456 1120018598 /nfs/dbraw/zinc/01/85/98/1120018598.db2.gz KXPGYNBPUCKAKF-OCTTZUBCSA-N 0 1 298.224 3.994 20 10 CHCDMN C[C@@H](NCc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000107929136 1120062174 /nfs/dbraw/zinc/06/21/74/1120062174.db2.gz ZFTYJTHYGDAHIH-GFCCVEGCSA-N 0 1 290.357 3.882 20 10 CHCDMN C[C@@H]([NH2+]CC1(C)CC1)c1ccc(Br)cc1[O-] ZINC000309502780 1120121587 /nfs/dbraw/zinc/12/15/87/1120121587.db2.gz BGVMINVTHNCTEE-SECBINFHSA-N 0 1 284.197 3.605 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc2ccccc2c1[O-] ZINC000328416158 1120175191 /nfs/dbraw/zinc/17/51/91/1120175191.db2.gz IKSCIWPHERUZHG-BLLLJJGKSA-N 0 1 285.387 3.764 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000312026333 1120255230 /nfs/dbraw/zinc/25/52/30/1120255230.db2.gz XMGBFAVMFDTXIU-BFQNTYOBSA-N 0 1 255.361 3.995 20 10 CHCDMN Cc1ncc([C@H](C)NCc2ccc3c(c2)CCCO3)s1 ZINC000922307961 1120504779 /nfs/dbraw/zinc/50/47/79/1120504779.db2.gz UKJZFZCXSXNHHN-NSHDSACASA-N 0 1 288.416 3.627 20 10 CHCDMN Cc1cc(CN2C[C@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000220294425 1120552648 /nfs/dbraw/zinc/55/26/48/1120552648.db2.gz GUGHSWIFABWSIF-KBPBESRZSA-N 0 1 291.435 3.607 20 10 CHCDMN C[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccncc1 ZINC000756635190 1120642760 /nfs/dbraw/zinc/64/27/60/1120642760.db2.gz PWHUANPIERZSGT-NWDGAFQWSA-N 0 1 290.794 3.895 20 10 CHCDMN CCOc1ccc(C[N@H+]2CCc3cccc(C)c3C2)c(O)c1 ZINC000763508019 1128942097 /nfs/dbraw/zinc/94/20/97/1128942097.db2.gz UPTANMBDUZYRKT-UHFFFAOYSA-N 0 1 297.398 3.658 20 10 CHCDMN CCN(CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000185308109 1120910561 /nfs/dbraw/zinc/91/05/61/1120910561.db2.gz RGTQBAWZSFTHJY-CQSZACIVSA-N 0 1 298.430 3.680 20 10 CHCDMN CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185434148 1120911756 /nfs/dbraw/zinc/91/17/56/1120911756.db2.gz ZLSZNWIZNXLKCN-FZKQIMNGSA-N 0 1 287.403 3.603 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1cnccn1 ZINC000282498668 1121032769 /nfs/dbraw/zinc/03/27/69/1121032769.db2.gz QQIIYRFRTSHYLN-CQSZACIVSA-N 0 1 285.391 3.546 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000228598922 1121190437 /nfs/dbraw/zinc/19/04/37/1121190437.db2.gz AJDQWRFASVJKTE-JTQLQIEISA-N 0 1 271.788 3.531 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000228598922 1121190441 /nfs/dbraw/zinc/19/04/41/1121190441.db2.gz AJDQWRFASVJKTE-JTQLQIEISA-N 0 1 271.788 3.531 20 10 CHCDMN CCOc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000703277205 1121240592 /nfs/dbraw/zinc/24/05/92/1121240592.db2.gz UUHXUJVMEXHCRB-UHFFFAOYSA-N 0 1 279.286 3.681 20 10 CHCDMN Cc1ccoc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000274789059 1121390434 /nfs/dbraw/zinc/39/04/34/1121390434.db2.gz MBCQDBFSZOZTBF-CYBMUJFWSA-N 0 1 258.365 3.505 20 10 CHCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CCC(F)(F)CC1 ZINC000708434533 1121464085 /nfs/dbraw/zinc/46/40/85/1121464085.db2.gz RYOZVMVUJGWRLL-UHFFFAOYSA-N 0 1 291.288 3.680 20 10 CHCDMN CCCCN(Cc1nc(C)c(C)o1)Cc1ccccc1O ZINC000282533479 1121519963 /nfs/dbraw/zinc/51/99/63/1121519963.db2.gz VFWKITLJDGLYIK-UHFFFAOYSA-N 0 1 288.391 3.799 20 10 CHCDMN CCSCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000135295663 1121734319 /nfs/dbraw/zinc/73/43/19/1121734319.db2.gz FLZYHBHKEPYHGH-SNVBAGLBSA-N 0 1 273.829 3.667 20 10 CHCDMN CCN(CC)c1ccc(CNc2cc(OC)ccn2)cc1 ZINC001178383030 1121782091 /nfs/dbraw/zinc/78/20/91/1121782091.db2.gz UWDVZRHDKWXDMR-UHFFFAOYSA-N 0 1 285.391 3.549 20 10 CHCDMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001181205106 1122043514 /nfs/dbraw/zinc/04/35/14/1122043514.db2.gz IXEBGIAHOUTKQM-GFCCVEGCSA-N 0 1 283.362 3.929 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000779598448 1129030304 /nfs/dbraw/zinc/03/03/04/1129030304.db2.gz ISXQADAAKJUDPV-UHFFFAOYSA-N 0 1 291.753 3.743 20 10 CHCDMN CCOC[C@H]1CCCC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC001182284847 1122130325 /nfs/dbraw/zinc/13/03/25/1122130325.db2.gz IXIIYQWPKPGIJO-CYBMUJFWSA-N 0 1 297.826 3.745 20 10 CHCDMN CCOC[C@H]1CCCC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC001182284847 1122130329 /nfs/dbraw/zinc/13/03/29/1122130329.db2.gz IXIIYQWPKPGIJO-CYBMUJFWSA-N 0 1 297.826 3.745 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c(Cl)c1 ZINC001182453745 1122161279 /nfs/dbraw/zinc/16/12/79/1122161279.db2.gz VREIVDASYNLTSK-SDDRHHMPSA-N 0 1 267.800 3.830 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c(Cl)c1 ZINC001182453745 1122161282 /nfs/dbraw/zinc/16/12/82/1122161282.db2.gz VREIVDASYNLTSK-SDDRHHMPSA-N 0 1 267.800 3.830 20 10 CHCDMN CCNc1ccccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001182686176 1122182841 /nfs/dbraw/zinc/18/28/41/1122182841.db2.gz YJASJVWMNKEFMC-UHFFFAOYSA-N 0 1 290.794 3.767 20 10 CHCDMN C/C=C\C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001183168713 1122211718 /nfs/dbraw/zinc/21/17/18/1122211718.db2.gz AHFYLVADGLGLBD-ZRMMWKCHSA-N 0 1 263.356 3.710 20 10 CHCDMN Oc1cccc2c1CN(C/C=C/c1ccc(F)cc1)C2 ZINC001183454769 1122223770 /nfs/dbraw/zinc/22/37/70/1122223770.db2.gz NNLMGLKHRJQLJF-NSCUHMNNSA-N 0 1 269.319 3.560 20 10 CHCDMN C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203573777 1122232560 /nfs/dbraw/zinc/23/25/60/1122232560.db2.gz HDZGLWIBLAVPAQ-XCBNKYQSSA-N 0 1 278.154 3.631 20 10 CHCDMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203573777 1122232564 /nfs/dbraw/zinc/23/25/64/1122232564.db2.gz HDZGLWIBLAVPAQ-XCBNKYQSSA-N 0 1 278.154 3.631 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000775488561 1122620443 /nfs/dbraw/zinc/62/04/43/1122620443.db2.gz IZBFUZIMWYLEGE-KWBADKCTSA-N 0 1 253.773 3.742 20 10 CHCDMN CCc1cc(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])[nH]n1 ZINC000775508547 1122630156 /nfs/dbraw/zinc/63/01/56/1122630156.db2.gz VLAJSMPOGVTBGU-CQSZACIVSA-N 0 1 293.798 3.572 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCCS1)c1cc(Cl)ccc1[O-] ZINC000775512319 1122633504 /nfs/dbraw/zinc/63/35/04/1122633504.db2.gz JBJKVQJMYYZUHB-YPMHNXCESA-N 0 1 285.840 3.982 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000775510942 1122633678 /nfs/dbraw/zinc/63/36/78/1122633678.db2.gz BGPYOPZJOOKZIB-YPMHNXCESA-N 0 1 285.840 3.982 20 10 CHCDMN CCC[C@@H](CCO)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775512473 1122634342 /nfs/dbraw/zinc/63/43/42/1122634342.db2.gz LCWMVIJJNSLKJJ-SWLSCSKDSA-N 0 1 299.842 3.885 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCCOCC1)c1cc(Cl)ccc1[O-] ZINC000775532256 1122648925 /nfs/dbraw/zinc/64/89/25/1122648925.db2.gz UINPTUBHUZJOMI-OCCSQVGLSA-N 0 1 283.799 3.655 20 10 CHCDMN CCC1(NC(=O)c2cc(O)c(O)c(Cl)c2)CCCCC1 ZINC001193625608 1122702376 /nfs/dbraw/zinc/70/23/76/1122702376.db2.gz KYCWMNQVIOHAAE-UHFFFAOYSA-N 0 1 297.782 3.594 20 10 CHCDMN C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775639702 1122848166 /nfs/dbraw/zinc/84/81/66/1122848166.db2.gz ZEACJAJNTRWHMP-SECBINFHSA-N 0 1 257.736 3.559 20 10 CHCDMN Cc1cccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])c1 ZINC000775649081 1122862491 /nfs/dbraw/zinc/86/24/91/1122862491.db2.gz KPXGUJODAVUPFH-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN CC(C)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775653693 1122866799 /nfs/dbraw/zinc/86/67/99/1122866799.db2.gz NALKHWDUHCNRDI-UHFFFAOYSA-N 0 1 271.763 3.805 20 10 CHCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000775657499 1122868091 /nfs/dbraw/zinc/86/80/91/1122868091.db2.gz CAQIVXGZQSNCLG-UHFFFAOYSA-N 0 1 290.794 3.851 20 10 CHCDMN CCc1nc(CN(C)Cc2cccc(Cl)c2O)cs1 ZINC000775663808 1122875585 /nfs/dbraw/zinc/87/55/85/1122875585.db2.gz PIEAGHMSKHYIMS-UHFFFAOYSA-N 0 1 296.823 3.697 20 10 CHCDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783028 1122905953 /nfs/dbraw/zinc/90/59/53/1122905953.db2.gz PHDXFLNEOGOGBY-OAHLLOKOSA-N 0 1 292.329 3.649 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2ccsc2C1 ZINC000775700772 1122912965 /nfs/dbraw/zinc/91/29/65/1122912965.db2.gz OHTUKGBTOSOMTC-UHFFFAOYSA-N 0 1 279.792 3.665 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000775726632 1122927318 /nfs/dbraw/zinc/92/73/18/1122927318.db2.gz YEYKQEXWWVSFGM-OAHLLOKOSA-N 0 1 287.790 3.863 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CC(F)(F)F)cc1Cl ZINC000825530468 1123027254 /nfs/dbraw/zinc/02/72/54/1123027254.db2.gz NAUQCZVLYLCPTI-MRVPVSSYSA-N 0 1 281.705 3.785 20 10 CHCDMN CC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C1CCOCC1 ZINC000776230878 1123163080 /nfs/dbraw/zinc/16/30/80/1123163080.db2.gz BOSISMHEVBLUHR-HNNXBMFYSA-N 0 1 297.826 3.649 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)CCC(C)(C)C)c(Cl)c1 ZINC001202159248 1123180416 /nfs/dbraw/zinc/18/04/16/1123180416.db2.gz SCYUJLQPKGSUEW-GFCCVEGCSA-N 0 1 299.842 3.631 20 10 CHCDMN CC1CCN(c2ccc(CNCc3ccco3)cc2)CC1 ZINC000108423619 1123231395 /nfs/dbraw/zinc/23/13/95/1123231395.db2.gz NEIREOBMNLOCBY-UHFFFAOYSA-N 0 1 284.403 3.806 20 10 CHCDMN C[C@]1(CC[NH2+]Cc2cc(Cl)ccc2[O-])CC1(F)F ZINC000850380117 1123260483 /nfs/dbraw/zinc/26/04/83/1123260483.db2.gz BQZGEEZFXBEEKA-LBPRGKRZSA-N 0 1 275.726 3.571 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000850494850 1123275304 /nfs/dbraw/zinc/27/53/04/1123275304.db2.gz SXTPXMFCOHXCHT-YPMHNXCESA-N 0 1 296.842 3.569 20 10 CHCDMN C[C@H]([NH2+]CCc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000850531580 1123285234 /nfs/dbraw/zinc/28/52/34/1123285234.db2.gz MFKYBCLLLHNJNQ-JTQLQIEISA-N 0 1 265.740 3.532 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(Cl)cc1[O-] ZINC000850534043 1123285951 /nfs/dbraw/zinc/28/59/51/1123285951.db2.gz FSZRHRKZCGTOOB-NTZNESFSSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000850570193 1123294257 /nfs/dbraw/zinc/29/42/57/1123294257.db2.gz FPUZJCDLCCNTBQ-MNOVXSKESA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)c1nccn1C)c1cc(Cl)ccc1[O-] ZINC000850572743 1123295628 /nfs/dbraw/zinc/29/56/28/1123295628.db2.gz OZPINMUYRXDPMP-GWCFXTLKSA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@H](N[C@@H](C)c1nccn1C)c1cc(Cl)ccc1O ZINC000850572743 1123295632 /nfs/dbraw/zinc/29/56/32/1123295632.db2.gz OZPINMUYRXDPMP-GWCFXTLKSA-N 0 1 293.798 3.581 20 10 CHCDMN CC1=C[C@H](C)C[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000797605475 1123459950 /nfs/dbraw/zinc/45/99/50/1123459950.db2.gz ROTFLKTXLGVVSG-JTQLQIEISA-N 0 1 296.208 3.553 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@H]2CCC3(CCC3)O2)ccc2ccccc21 ZINC000895676889 1123503070 /nfs/dbraw/zinc/50/30/70/1123503070.db2.gz DMPZSBZVNCLWMW-MRXNPFEDSA-N 0 1 297.398 3.737 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856806757 1123569703 /nfs/dbraw/zinc/56/97/03/1123569703.db2.gz HKYYETVGVHPNAE-MRVPVSSYSA-N 0 1 294.609 3.719 20 10 CHCDMN C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000857081691 1123586096 /nfs/dbraw/zinc/58/60/96/1123586096.db2.gz QDOWEUBOKXSDPA-DTWKUNHWSA-N 0 1 275.726 3.742 20 10 CHCDMN Cc1cc(N(C)C)ccc1CNCc1cccc(F)c1F ZINC000115629540 1123619885 /nfs/dbraw/zinc/61/98/85/1123619885.db2.gz WFQYCVAAENVMID-UHFFFAOYSA-N 0 1 290.357 3.629 20 10 CHCDMN Cc1ccc(O)c(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000858239062 1123639393 /nfs/dbraw/zinc/63/93/93/1123639393.db2.gz GUHDOBMRSGKSDT-UHFFFAOYSA-N 0 1 291.778 3.658 20 10 CHCDMN CS[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000117393901 1123728559 /nfs/dbraw/zinc/72/85/59/1123728559.db2.gz SJEOAYYTUSVBKT-GHMZBOCLSA-N 0 1 285.840 3.809 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H](C)C1(F)F ZINC000862444024 1123810608 /nfs/dbraw/zinc/81/06/08/1123810608.db2.gz SJAFFIGWBQOOGX-AOOOYVTPSA-N 0 1 289.753 3.769 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(Cl)c1 ZINC000862473605 1123813138 /nfs/dbraw/zinc/81/31/38/1123813138.db2.gz WUVCEEPWLRASFF-NEPJUHHUSA-N 0 1 297.851 3.824 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(Cl)c1 ZINC000862473605 1123813143 /nfs/dbraw/zinc/81/31/43/1123813143.db2.gz WUVCEEPWLRASFF-NEPJUHHUSA-N 0 1 297.851 3.824 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCCC2(CC2)CC1 ZINC000863329634 1123861256 /nfs/dbraw/zinc/86/12/56/1123861256.db2.gz DGMRBOLMHDNGEB-UHFFFAOYSA-N 0 1 282.387 3.707 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCCC2(CC2)CC1 ZINC000863329634 1123861259 /nfs/dbraw/zinc/86/12/59/1123861259.db2.gz DGMRBOLMHDNGEB-UHFFFAOYSA-N 0 1 282.387 3.707 20 10 CHCDMN CCc1ccccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000084200459 1129152636 /nfs/dbraw/zinc/15/26/36/1129152636.db2.gz ZXGMIEBBWYSRSX-UHFFFAOYSA-N 0 1 275.779 3.898 20 10 CHCDMN CC(C)[C@@H]1[N@@H+](Cc2ccc(F)c(F)c2[O-])CC12CC=CC2 ZINC000864050886 1123914149 /nfs/dbraw/zinc/91/41/49/1123914149.db2.gz UKFQGHOGKPAUOU-INIZCTEOSA-N 0 1 293.357 3.847 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)c1cc(Cl)ccc1[O-] ZINC000794832453 1123963008 /nfs/dbraw/zinc/96/30/08/1123963008.db2.gz SIHNPWKIAPQRPS-DOMZBBRYSA-N 0 1 298.858 3.817 20 10 CHCDMN C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc2ccccc2c1[O-] ZINC000794833797 1123965813 /nfs/dbraw/zinc/96/58/13/1123965813.db2.gz LBQGRSDIJMYNJC-XJKSGUPXSA-N 0 1 299.414 3.747 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCC2(F)CCC2)c(Cl)c1 ZINC000840945545 1124033477 /nfs/dbraw/zinc/03/34/77/1124033477.db2.gz PUUBNNMRHADFEO-UHFFFAOYSA-N 0 1 271.763 3.726 20 10 CHCDMN C[C@@H]([NH2+]CC[C@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000866403495 1124063405 /nfs/dbraw/zinc/06/34/05/1124063405.db2.gz QOIZZLQBUPBFNZ-MNOVXSKESA-N 0 1 285.840 3.839 20 10 CHCDMN C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc2ccccc2c1[O-] ZINC000123318571 1124583241 /nfs/dbraw/zinc/58/32/41/1124583241.db2.gz ZCBFQZAXYQSLEH-CQSZACIVSA-N 0 1 299.414 3.891 20 10 CHCDMN C/C(Cl)=C/CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000528419751 1124658328 /nfs/dbraw/zinc/65/83/28/1124658328.db2.gz PGNBAEAHRIIZQO-ODDCISTRSA-N 0 1 295.810 3.516 20 10 CHCDMN CC1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000019917955 1124770431 /nfs/dbraw/zinc/77/04/31/1124770431.db2.gz WDHNZDWDVVYTRT-UHFFFAOYSA-N 0 1 253.773 3.714 20 10 CHCDMN C[C@H]([NH2+]CCc1ccccn1)c1ccc2ccccc2c1[O-] ZINC000020827932 1124878379 /nfs/dbraw/zinc/87/83/79/1124878379.db2.gz YUGNLKOJMLMXDB-AWEZNQCLSA-N 0 1 292.382 3.834 20 10 CHCDMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876590160 1124963722 /nfs/dbraw/zinc/96/37/22/1124963722.db2.gz UDKQBMNDVFQEMQ-VIFPVBQESA-N 0 1 283.343 3.925 20 10 CHCDMN Cc1ccc(CNCc2nc(C(C)C)cs2)c(O)c1 ZINC000877107570 1125009924 /nfs/dbraw/zinc/00/99/24/1125009924.db2.gz JDHXPSISTKPNDE-UHFFFAOYSA-N 0 1 276.405 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CHCDMN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccns1 ZINC000715897689 1131994463 /nfs/dbraw/zinc/99/44/63/1131994463.db2.gz DAFCMDSWWVZZIF-NWDGAFQWSA-N 0 1 275.421 3.621 20 10 CHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccns1 ZINC000716023447 1132001658 /nfs/dbraw/zinc/00/16/58/1132001658.db2.gz WYEHCEGGPHLUKT-ZDUSSCGKSA-N 0 1 287.432 3.594 20 10 CHCDMN CCN(Cc1ccccc1O)Cc1cccc(OC)c1F ZINC001141222466 1132047366 /nfs/dbraw/zinc/04/73/66/1132047366.db2.gz CMBBOZKXCDZSCE-UHFFFAOYSA-N 0 1 289.350 3.562 20 10 CHCDMN Cc1ncc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)o1 ZINC000840796929 1132288847 /nfs/dbraw/zinc/28/88/47/1132288847.db2.gz PEPPMDQHODSJDO-CQSZACIVSA-N 0 1 299.418 3.824 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000840871916 1132298978 /nfs/dbraw/zinc/29/89/78/1132298978.db2.gz ICDBPFDSTWLQQD-NOOOWODRSA-N 0 1 283.799 3.510 20 10 CHCDMN C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1cc(Cl)ccc1[O-] ZINC000840876486 1132299007 /nfs/dbraw/zinc/29/90/07/1132299007.db2.gz 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/nfs/dbraw/zinc/31/25/39/1132312539.db2.gz RRYLOKQHVJLDEW-UHFFFAOYSA-N 0 1 273.829 3.585 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@@]1(C)O ZINC001231587454 1132317469 /nfs/dbraw/zinc/31/74/69/1132317469.db2.gz CLLFOENVRJMTDX-IFXJQAMLSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@@]1(C)O ZINC001231587454 1132317473 /nfs/dbraw/zinc/31/74/73/1132317473.db2.gz CLLFOENVRJMTDX-IFXJQAMLSA-N 0 1 299.414 3.528 20 10 CHCDMN CC[N@H+](Cc1c([O-])ccc2ccccc21)C1CCOCC1 ZINC001231590163 1132318241 /nfs/dbraw/zinc/31/82/41/1132318241.db2.gz NXJXQBQGXXZAKP-UHFFFAOYSA-N 0 1 285.387 3.546 20 10 CHCDMN CC[N@@H+](Cc1c([O-])ccc2ccccc21)C1CCOCC1 ZINC001231590163 1132318242 /nfs/dbraw/zinc/31/82/42/1132318242.db2.gz NXJXQBQGXXZAKP-UHFFFAOYSA-N 0 1 285.387 3.546 20 10 CHCDMN CCC(CC)[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870398 1132385887 /nfs/dbraw/zinc/38/58/87/1132385887.db2.gz YHZWUBIRDOOPMA-UHFFFAOYSA-N 0 1 255.789 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)CC2CCCC2)cc1Cl ZINC001231870364 1132383252 /nfs/dbraw/zinc/38/32/52/1132383252.db2.gz WBDIYQPCGVMWJX-UHFFFAOYSA-N 0 1 267.800 3.976 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)CC2CCCC2)cc1Cl ZINC001231870364 1132383259 /nfs/dbraw/zinc/38/32/59/1132383259.db2.gz WBDIYQPCGVMWJX-UHFFFAOYSA-N 0 1 267.800 3.976 20 10 CHCDMN CCC(CC)[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870398 1132385892 /nfs/dbraw/zinc/38/58/92/1132385892.db2.gz YHZWUBIRDOOPMA-UHFFFAOYSA-N 0 1 255.789 3.974 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000841743135 1132386915 /nfs/dbraw/zinc/38/69/15/1132386915.db2.gz CTYYDKACWIMJOF-WDEREUQCSA-N 0 1 276.767 3.852 20 10 CHCDMN Cc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841745245 1132387438 /nfs/dbraw/zinc/38/74/38/1132387438.db2.gz OWEARXXEUSOGSS-NSHDSACASA-N 0 1 276.767 3.600 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(Cl)cc1[O-] ZINC000841743430 1132388250 /nfs/dbraw/zinc/38/82/50/1132388250.db2.gz GFZDCCWMDQNEOX-WDEREUQCSA-N 0 1 276.767 3.852 20 10 CHCDMN CCCCOCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746994 1132390856 /nfs/dbraw/zinc/39/08/56/1132390856.db2.gz MJGGZSFMVUEKIV-LLVKDONJSA-N 0 1 271.788 3.513 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCC[C@]1(C)O ZINC001231879575 1132391600 /nfs/dbraw/zinc/39/16/00/1132391600.db2.gz IZCXNJXCKWVHOW-KUHUBIRLSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCC[C@]1(C)O ZINC001231879575 1132391607 /nfs/dbraw/zinc/39/16/07/1132391607.db2.gz IZCXNJXCKWVHOW-KUHUBIRLSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(Cl)cc1[O-] ZINC000841751764 1132392660 /nfs/dbraw/zinc/39/26/60/1132392660.db2.gz IZISXESKBINDPY-PWSUYJOCSA-N 0 1 283.799 3.654 20 10 CHCDMN CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756750 1132393453 /nfs/dbraw/zinc/39/34/53/1132393453.db2.gz JXWMBCWPLPBNOC-GHMZBOCLSA-N 0 1 293.798 3.674 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1cc[nH]c(=O)c1 ZINC000841757256 1132394091 /nfs/dbraw/zinc/39/40/91/1132394091.db2.gz MWEJKWMZYRUSLJ-NXEZZACHSA-N 0 1 292.766 3.558 20 10 CHCDMN C[C@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231909831 1132399198 /nfs/dbraw/zinc/39/91/98/1132399198.db2.gz QYGSOKIPHKAPEB-AWEZNQCLSA-N 0 1 271.763 3.760 20 10 CHCDMN C[C@@]1(CF)CC(F)(F)CN1Cc1cccc(Cl)c1O ZINC001231910993 1132399441 /nfs/dbraw/zinc/39/94/41/1132399441.db2.gz XWISXUIIAYYPFA-LBPRGKRZSA-N 0 1 293.716 3.615 20 10 CHCDMN [O-]c1cc(O)c(C[N@@H+]2CCC3(C2)CCCCC3)cc1Cl ZINC001232264444 1132444788 /nfs/dbraw/zinc/44/47/88/1132444788.db2.gz HKPVTNMLOYGGRK-UHFFFAOYSA-N 0 1 295.810 3.907 20 10 CHCDMN [O-]c1cc(O)c(C[N@H+]2CCC3(C2)CCCCC3)cc1Cl ZINC001232264444 1132444793 /nfs/dbraw/zinc/44/47/93/1132444793.db2.gz HKPVTNMLOYGGRK-UHFFFAOYSA-N 0 1 295.810 3.907 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2cc(Cl)c([O-])cc2O)C[C@@H]1C ZINC001232258634 1132444978 /nfs/dbraw/zinc/44/49/78/1132444978.db2.gz BNRWHEIZFDZROZ-MNOVXSKESA-N 0 1 283.799 3.619 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])cc2O)C[C@@H]1C ZINC001232258634 1132444982 /nfs/dbraw/zinc/44/49/82/1132444982.db2.gz BNRWHEIZFDZROZ-MNOVXSKESA-N 0 1 283.799 3.619 20 10 CHCDMN COc1cc([O-])c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1Cl ZINC001232266592 1132446223 /nfs/dbraw/zinc/44/62/23/1132446223.db2.gz PLWHVYIKGYPSHS-VXGBXAGGSA-N 0 1 295.810 3.676 20 10 CHCDMN CCN(Cc1nc2ccccc2o1)Cc1ccccc1O ZINC001232558392 1132487930 /nfs/dbraw/zinc/48/79/30/1132487930.db2.gz KJEOTRPGHHFRAZ-UHFFFAOYSA-N 0 1 282.343 3.556 20 10 CHCDMN C[N@@H+](Cc1ccc(Cl)cc1)Cc1c([O-])ccc(F)c1F ZINC001233334517 1132603071 /nfs/dbraw/zinc/60/30/71/1132603071.db2.gz KOAFCRPYVZSPPD-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN C[C@]1(CF)CC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415938 1132619526 /nfs/dbraw/zinc/61/95/26/1132619526.db2.gz PCBVQWCUYDNDDS-CYBMUJFWSA-N 0 1 291.288 3.593 20 10 CHCDMN CC1(C)CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452014 1132625997 /nfs/dbraw/zinc/62/59/97/1132625997.db2.gz HQAPXPXBCWSYIC-UHFFFAOYSA-N 0 1 273.298 3.785 20 10 CHCDMN CC1(C)CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452014 1132626001 /nfs/dbraw/zinc/62/60/01/1132626001.db2.gz HQAPXPXBCWSYIC-UHFFFAOYSA-N 0 1 273.298 3.785 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726499 1132670671 /nfs/dbraw/zinc/67/06/71/1132670671.db2.gz FBHHCFZJVBQDNE-JTQLQIEISA-N 0 1 289.297 3.523 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726499 1132670676 /nfs/dbraw/zinc/67/06/76/1132670676.db2.gz FBHHCFZJVBQDNE-JTQLQIEISA-N 0 1 289.297 3.523 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC[C@@H]1C=CCC1 ZINC001203554135 1133338676 /nfs/dbraw/zinc/33/86/76/1133338676.db2.gz WUGADQOOTRDOCT-GFCCVEGCSA-N 0 1 265.784 3.882 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC)Cc2ccccc2O)cc1 ZINC001203969628 1133391241 /nfs/dbraw/zinc/39/12/41/1133391241.db2.gz GOUKQFOHWXCXDB-UHFFFAOYSA-N 0 1 285.387 3.813 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)CC(C)(C)C)c(Cl)c1 ZINC001204374257 1133441740 /nfs/dbraw/zinc/44/17/40/1133441740.db2.gz HAXRIAKOKNHEKQ-UHFFFAOYSA-N 0 1 255.789 3.832 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)CC(C)(C)C)c(Cl)c1 ZINC001204374257 1133441742 /nfs/dbraw/zinc/44/17/42/1133441742.db2.gz HAXRIAKOKNHEKQ-UHFFFAOYSA-N 0 1 255.789 3.832 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H]2C)cc1Cl ZINC001204400645 1133443040 /nfs/dbraw/zinc/44/30/40/1133443040.db2.gz FWXGFDBHMWASLB-ONGXEEELSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H]2C)cc1Cl ZINC001204400645 1133443042 /nfs/dbraw/zinc/44/30/42/1133443042.db2.gz FWXGFDBHMWASLB-ONGXEEELSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H]2C)cc1Cl ZINC001204400645 1133443043 /nfs/dbraw/zinc/44/30/43/1133443043.db2.gz FWXGFDBHMWASLB-ONGXEEELSA-N 0 1 253.773 3.584 20 10 CHCDMN CC(C)c1ccc(O)c(C[N@@H+](CCCO)CC(C)(C)C)c1 ZINC001204462422 1133450174 /nfs/dbraw/zinc/45/01/74/1133450174.db2.gz ZMCPVHIUMSZMRJ-UHFFFAOYSA-N 0 1 293.451 3.746 20 10 CHCDMN Cc1ccc(C[N@@H+]2CCC[C@H](CC(C)C)C2)c(O)c1 ZINC001204580183 1133464541 /nfs/dbraw/zinc/46/45/41/1133464541.db2.gz MWWGCDTUBUXCET-OAHLLOKOSA-N 0 1 261.409 3.959 20 10 CHCDMN Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001205162412 1133539344 /nfs/dbraw/zinc/53/93/44/1133539344.db2.gz NZHLVHLHKCPICL-OAHLLOKOSA-N 0 1 290.794 3.721 20 10 CHCDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001205162412 1133539348 /nfs/dbraw/zinc/53/93/48/1133539348.db2.gz NZHLVHLHKCPICL-OAHLLOKOSA-N 0 1 290.794 3.721 20 10 CHCDMN Oc1c(CNc2ccc(C3CCC3)cn2)ccc(F)c1F ZINC001206057243 1133650078 /nfs/dbraw/zinc/65/00/78/1133650078.db2.gz YMZLUXFIRRYLSV-UHFFFAOYSA-N 0 1 290.313 3.945 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@]23C[C@H]2CCC3)ccc2ccccc21 ZINC001207638190 1133835750 /nfs/dbraw/zinc/83/57/50/1133835750.db2.gz ABSBPZSTIIXJNM-QAPCUYQASA-N 0 1 267.372 3.825 20 10 CHCDMN CC[N@@H+](CCCc1ccccc1OC)Cc1ccccc1O ZINC001208841340 1133949676 /nfs/dbraw/zinc/94/96/76/1133949676.db2.gz WVFQRVRGQLCDBT-UHFFFAOYSA-N 0 1 299.414 3.856 20 10 CHCDMN CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000312932538 1135135321 /nfs/dbraw/zinc/13/53/21/1135135321.db2.gz LBIBIQVWQNEZMJ-WCQYABFASA-N 0 1 293.382 3.744 20 10 CHCDMN CC[C@@H](COC)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000079758220 260176447 /nfs/dbraw/zinc/17/64/47/260176447.db2.gz AXJILDIAQNQPLA-JSGCOSHPSA-N 0 1 273.376 3.621 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc2ccccc2c1[O-] ZINC000318395553 261065553 /nfs/dbraw/zinc/06/55/53/261065553.db2.gz ILJUUQFEJJHNEW-WILYLXEWSA-N 0 1 297.398 3.764 20 10 CHCDMN CC[C@@H](N[C@@H](COC)c1ccc(C)o1)c1ccccc1O ZINC000156179724 261116044 /nfs/dbraw/zinc/11/60/44/261116044.db2.gz VMVLJNJKIDYHSP-CABCVRRESA-N 0 1 289.375 3.722 20 10 CHCDMN Cc1noc(C)c1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185136249 262043712 /nfs/dbraw/zinc/04/37/12/262043712.db2.gz LNVCWIXMJXFALW-MRVPVSSYSA-N 0 1 280.755 3.501 20 10 CHCDMN C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000377407995 329014424 /nfs/dbraw/zinc/01/44/24/329014424.db2.gz OHDFMOXIBNRVPJ-HWPZZCPQSA-N 0 1 289.762 3.657 20 10 CHCDMN CCCN(Cc1cnc(Cl)s1)Cc1ccccc1O ZINC000079334312 521691604 /nfs/dbraw/zinc/69/16/04/521691604.db2.gz UKCWAHUYVKZLAX-UHFFFAOYSA-N 0 1 296.823 3.914 20 10 CHCDMN CN(C)c1ccc(CNCc2ccoc2)c(C(F)(F)F)c1 ZINC000280088544 522210267 /nfs/dbraw/zinc/21/02/67/522210267.db2.gz YXVNVONIDOEZGS-UHFFFAOYSA-N 0 1 298.308 3.654 20 10 CHCDMN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000290234609 523431037 /nfs/dbraw/zinc/43/10/37/523431037.db2.gz RZZCKOGAOBSDNJ-UPJWGTAASA-N 0 1 273.376 3.619 20 10 CHCDMN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000191655548 523898651 /nfs/dbraw/zinc/89/86/51/523898651.db2.gz RZZCKOGAOBSDNJ-RWMBFGLXSA-N 0 1 273.376 3.619 20 10 CHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccn1 ZINC000037218854 525526082 /nfs/dbraw/zinc/52/60/82/525526082.db2.gz DJCWAKDOFLTLMW-OAHLLOKOSA-N 0 1 281.403 3.533 20 10 CHCDMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000037218844 525614145 /nfs/dbraw/zinc/61/41/45/525614145.db2.gz GJDMBMGVBMYBJA-KGLIPLIRSA-N 0 1 269.392 3.559 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000290388981 526326673 /nfs/dbraw/zinc/32/66/73/526326673.db2.gz IPOZUUBYYGIVIW-UHFFFAOYSA-N 0 1 288.778 3.605 20 10 CHCDMN CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756606154 1120595770 /nfs/dbraw/zinc/59/57/70/1120595770.db2.gz VXBMAZZACBQRHO-WBMJQRKESA-N 0 1 299.842 3.883 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000689884739 1125286370 /nfs/dbraw/zinc/28/63/70/1125286370.db2.gz XKOFMCBAQMZGLU-NSHDSACASA-N 0 1 271.763 3.617 20 10 CHCDMN Cc1cc(O)c(C[N@H+](C)C2CC(F)(F)C2)cc1Cl ZINC001231869249 1132383926 /nfs/dbraw/zinc/38/39/26/1132383926.db2.gz NOFNBYIVRBGRJQ-UHFFFAOYSA-N 0 1 275.726 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)C2CC(F)(F)C2)cc1Cl ZINC001231869249 1132383932 /nfs/dbraw/zinc/38/39/32/1132383932.db2.gz NOFNBYIVRBGRJQ-UHFFFAOYSA-N 0 1 275.726 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)C2CC(F)(F)C2)cc1Cl ZINC001231869249 1132383940 /nfs/dbraw/zinc/38/39/40/1132383940.db2.gz NOFNBYIVRBGRJQ-UHFFFAOYSA-N 0 1 275.726 3.584 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2CC3(C2)CCCC3)cc1Cl ZINC001231867493 1132384712 /nfs/dbraw/zinc/38/47/12/1132384712.db2.gz LGVNSCQCHGZEGN-UHFFFAOYSA-N 0 1 265.784 3.730 20 10 CHCDMN C[C@H]1C[C@H](C)[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000134957826 1125570416 /nfs/dbraw/zinc/57/04/16/1125570416.db2.gz UZIDCXPKQQTGEZ-STQMWFEESA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000134957826 1125570426 /nfs/dbraw/zinc/57/04/26/1125570426.db2.gz UZIDCXPKQQTGEZ-STQMWFEESA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@@H]1C[C@H](C)[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000134957805 1125570780 /nfs/dbraw/zinc/57/07/80/1125570780.db2.gz UZIDCXPKQQTGEZ-OLZOCXBDSA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000134957805 1125570784 /nfs/dbraw/zinc/57/07/84/1125570784.db2.gz UZIDCXPKQQTGEZ-OLZOCXBDSA-N 0 1 255.361 3.776 20 10 CHCDMN CCC(C)(C)OCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757645 1125597178 /nfs/dbraw/zinc/59/71/78/1125597178.db2.gz OEPOVWNBPJXOLK-NSHDSACASA-N 0 1 285.815 3.901 20 10 CHCDMN CCN(CC)c1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000886506460 1125681963 /nfs/dbraw/zinc/68/19/63/1125681963.db2.gz UMSZBKRRANNBEH-GOSISDBHSA-N 0 1 295.430 3.705 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2cc(C3CC3)no2)cc1 ZINC000886684528 1125707547 /nfs/dbraw/zinc/70/75/47/1125707547.db2.gz NEKNNPAQAIIFGS-CYBMUJFWSA-N 0 1 299.418 3.859 20 10 CHCDMN [O-]c1c(C[NH2+]CC[C@H]2CCCC[C@H]2O)ccc2ccccc21 ZINC000897535934 1125730686 /nfs/dbraw/zinc/73/06/86/1125730686.db2.gz AEKDEPRRURRIOF-CRAIPNDOSA-N 0 1 299.414 3.576 20 10 CHCDMN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1 ZINC000152337620 1126756992 /nfs/dbraw/zinc/75/69/92/1126756992.db2.gz XGIFCUZZXLMOAI-GJZGRUSLSA-N 0 1 283.419 3.950 20 10 CHCDMN CSCC[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180350029 1126842273 /nfs/dbraw/zinc/84/22/73/1126842273.db2.gz JEJKVEUZVHFMMT-JTQLQIEISA-N 0 1 273.829 3.619 20 10 CHCDMN CC[C@](C)(NCc1cccc(C)c1O)c1nccs1 ZINC000182371427 1126871301 /nfs/dbraw/zinc/87/13/01/1126871301.db2.gz WWQXUIXTJPQBTM-HNNXBMFYSA-N 0 1 276.405 3.572 20 10 CHCDMN C[C@H](NCc1nc(C2CC2)cs1)c1ccccc1O ZINC000183619238 1126889750 /nfs/dbraw/zinc/88/97/50/1126889750.db2.gz SGBRUKJODPWPOF-JTQLQIEISA-N 0 1 274.389 3.577 20 10 CHCDMN CCOC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000188686549 1126925419 /nfs/dbraw/zinc/92/54/19/1126925419.db2.gz NFONEUHNJJMOBV-JTQLQIEISA-N 0 1 271.788 3.511 20 10 CHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cncs1 ZINC000268786726 1127023675 /nfs/dbraw/zinc/02/36/75/1127023675.db2.gz BOXHIUHPCKGFKO-CYBMUJFWSA-N 0 1 287.432 3.594 20 10 CHCDMN COc1ccc(CNCc2ccc(Cl)o2)cc1C ZINC000698077349 1127038808 /nfs/dbraw/zinc/03/88/08/1127038808.db2.gz ZGTXZIKKNWFZNN-UHFFFAOYSA-N 0 1 265.740 3.540 20 10 CHCDMN CC(C)COC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000271131944 1127069317 /nfs/dbraw/zinc/06/93/17/1127069317.db2.gz PYUBRTNEBMVLRJ-UHFFFAOYSA-N 0 1 297.826 3.683 20 10 CHCDMN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271436423 1127081279 /nfs/dbraw/zinc/08/12/79/1127081279.db2.gz BQFCUQXAGVXDIE-SUMWQHHRSA-N 0 1 298.434 3.594 20 10 CHCDMN C[N@@H+](Cc1c([O-])ccc(F)c1Cl)C1CCCCC1 ZINC001237119823 1131053730 /nfs/dbraw/zinc/05/37/30/1131053730.db2.gz GDJHTEWZYLZYTI-UHFFFAOYSA-N 0 1 271.763 3.949 20 10 CHCDMN C[N@@H+](Cc1c([O-])ccc(F)c1Cl)CC1CCCC1 ZINC001237129538 1131056870 /nfs/dbraw/zinc/05/68/70/1131056870.db2.gz IJIGKFDBEWJIGL-UHFFFAOYSA-N 0 1 271.763 3.807 20 10 CHCDMN C[N@H+](Cc1c([O-])ccc(F)c1Cl)CC1CCCC1 ZINC001237129538 1131056876 /nfs/dbraw/zinc/05/68/76/1131056876.db2.gz IJIGKFDBEWJIGL-UHFFFAOYSA-N 0 1 271.763 3.807 20 10 CHCDMN Cc1cc(C)cc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001308738701 1127452948 /nfs/dbraw/zinc/45/29/48/1127452948.db2.gz BNMIBQNEUCFFSX-UHFFFAOYSA-N 0 1 291.341 3.919 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000168740915 1127463993 /nfs/dbraw/zinc/46/39/93/1127463993.db2.gz BYVWXUMUCATGPU-DYEKYZERSA-N 0 1 255.361 3.852 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000168740829 1127464248 /nfs/dbraw/zinc/46/42/48/1127464248.db2.gz BYVWXUMUCATGPU-SGMGOOAPSA-N 0 1 255.361 3.852 20 10 CHCDMN CCCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC000761191104 1127516612 /nfs/dbraw/zinc/51/66/12/1127516612.db2.gz NKWPNIMNVZTKIS-UHFFFAOYSA-N 0 1 283.799 3.819 20 10 CHCDMN CCCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC000761191104 1127516613 /nfs/dbraw/zinc/51/66/13/1127516613.db2.gz NKWPNIMNVZTKIS-UHFFFAOYSA-N 0 1 283.799 3.819 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C2CC2)C2CCCC2)c1[O-] ZINC000761190596 1127517396 /nfs/dbraw/zinc/51/73/96/1127517396.db2.gz DSROCSLMCDVZIP-UHFFFAOYSA-N 0 1 295.810 3.961 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C2CC2)C2CCCC2)c1[O-] ZINC000761190596 1127517399 /nfs/dbraw/zinc/51/73/99/1127517399.db2.gz DSROCSLMCDVZIP-UHFFFAOYSA-N 0 1 295.810 3.961 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001231868436 1127544552 /nfs/dbraw/zinc/54/45/52/1127544552.db2.gz UTBHXSWHKGMAAS-STQMWFEESA-N 0 1 279.811 3.976 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001231868436 1127544555 /nfs/dbraw/zinc/54/45/55/1127544555.db2.gz UTBHXSWHKGMAAS-STQMWFEESA-N 0 1 279.811 3.976 20 10 CHCDMN Oc1c(Cl)cccc1CN1Cc2ccc(F)cc2C1 ZINC001231911355 1127547888 /nfs/dbraw/zinc/54/78/88/1127547888.db2.gz AHVFWLRJPOYZMN-UHFFFAOYSA-N 0 1 277.726 3.701 20 10 CHCDMN Cc1cnc([C@H](C)NCc2ccc(N(C)C)c(C)c2)s1 ZINC000294697775 1127592598 /nfs/dbraw/zinc/59/25/98/1127592598.db2.gz UIPBVBMLZHWKEK-ZDUSSCGKSA-N 0 1 289.448 3.677 20 10 CHCDMN CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000295964536 1127658954 /nfs/dbraw/zinc/65/89/54/1127658954.db2.gz NIKXYLOWEJPUOC-GHMZBOCLSA-N 0 1 293.798 3.674 20 10 CHCDMN CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000295965862 1127659007 /nfs/dbraw/zinc/65/90/07/1127659007.db2.gz NIKXYLOWEJPUOC-WDEREUQCSA-N 0 1 293.798 3.674 20 10 CHCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccsc1 ZINC000061360799 1127685583 /nfs/dbraw/zinc/68/55/83/1127685583.db2.gz NWAPLRLZMNVURO-VIFPVBQESA-N 0 1 267.781 3.958 20 10 CHCDMN CCc1nc([C@@H](C)N[C@H]2CCc3cccc(O)c32)cs1 ZINC000297685643 1127703982 /nfs/dbraw/zinc/70/39/82/1127703982.db2.gz LRZHDEFSDRJAPV-PWSUYJOCSA-N 0 1 288.416 3.749 20 10 CHCDMN CCN(CC)c1ccc(CN(C)Cc2ccccn2)cc1 ZINC000298684800 1127729282 /nfs/dbraw/zinc/72/92/82/1127729282.db2.gz UVHAURPWUNTOCF-UHFFFAOYSA-N 0 1 283.419 3.560 20 10 CHCDMN CCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000230665771 1127770913 /nfs/dbraw/zinc/77/09/13/1127770913.db2.gz WGAJVMWYCCGAJL-LLVKDONJSA-N 0 1 251.345 3.762 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1cn[nH]c1 ZINC000230669582 1127771023 /nfs/dbraw/zinc/77/10/23/1127771023.db2.gz DCYVUZTYZJFNJR-NEPJUHHUSA-N 0 1 281.359 3.680 20 10 CHCDMN C[C@H]1CCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000230667127 1127771041 /nfs/dbraw/zinc/77/10/41/1127771041.db2.gz NSKAFBHDCSXJPW-WDEREUQCSA-N 0 1 253.773 3.571 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC001233074693 1127923482 /nfs/dbraw/zinc/92/34/82/1127923482.db2.gz SSRBBMRRWIYDBX-WDEREUQCSA-N 0 1 269.335 3.538 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000927028459 1128208931 /nfs/dbraw/zinc/20/89/31/1128208931.db2.gz ADDHDUFTMDCXMQ-SCVCMEIPSA-N 0 1 285.840 3.980 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cc(F)ccc1[O-] ZINC000324606573 1128389965 /nfs/dbraw/zinc/38/99/65/1128389965.db2.gz BJRZXUUFPGHJAE-QLJPJBMISA-N 0 1 263.356 3.761 20 10 CHCDMN C[C@@H](NCc1nccs1)c1ccc2ccccc2c1O ZINC000041011680 1128533408 /nfs/dbraw/zinc/53/34/08/1128533408.db2.gz DHSJLVGUSWVCNO-LLVKDONJSA-N 0 1 284.384 3.853 20 10 CHCDMN Oc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)cc1 ZINC000779000022 1128676216 /nfs/dbraw/zinc/67/62/16/1128676216.db2.gz SNHPNFHMFVQACK-INIZCTEOSA-N 0 1 287.334 3.574 20 10 CHCDMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccccc1O ZINC000779003689 1128676263 /nfs/dbraw/zinc/67/62/63/1128676263.db2.gz NWOKTYQUFBZGMJ-UHFFFAOYSA-N 0 1 275.779 3.720 20 10 CHCDMN CCS[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779015667 1128679822 /nfs/dbraw/zinc/67/98/22/1128679822.db2.gz AOEFUAAPOHEGBZ-CQSZACIVSA-N 0 1 283.412 3.639 20 10 CHCDMN CCC[C@@H](CC)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163890634 1117905345 /nfs/dbraw/zinc/90/53/45/1117905345.db2.gz HRXKLNXHVVLJJY-GFCCVEGCSA-N 0 1 286.213 3.823 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000769497431 1118106118 /nfs/dbraw/zinc/10/61/18/1118106118.db2.gz DOGRWRZGNSYTNB-UKRRQHHQSA-N 0 1 297.851 3.906 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000769497431 1118106120 /nfs/dbraw/zinc/10/61/20/1118106120.db2.gz DOGRWRZGNSYTNB-UKRRQHHQSA-N 0 1 297.851 3.906 20 10 CHCDMN Cc1cc(CN2CCO[C@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000765098299 1118134951 /nfs/dbraw/zinc/13/49/51/1118134951.db2.gz GITHWOWKYGYYHN-ZIAGYGMSSA-N 0 1 291.435 3.607 20 10 CHCDMN Cc1ccc(O)c(CN2CCc3[nH]c4ccccc4c3C2)c1 ZINC000179849606 1128762901 /nfs/dbraw/zinc/76/29/01/1128762901.db2.gz KRBNQGFDRFVRDH-UHFFFAOYSA-N 0 1 292.382 3.740 20 10 CHCDMN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000188784433 1128765490 /nfs/dbraw/zinc/76/54/90/1128765490.db2.gz FZOPBZKCVNAPFZ-UONOGXRCSA-N 0 1 299.418 3.568 20 10 CHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000179887071 1128765034 /nfs/dbraw/zinc/76/50/34/1128765034.db2.gz KLOPKZSBIYJIAC-CYBMUJFWSA-N 0 1 277.364 3.930 20 10 CHCDMN CC(C)CC1([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706853847 1118552773 /nfs/dbraw/zinc/55/27/73/1118552773.db2.gz BXGLZFCOHAMXCU-UHFFFAOYSA-N 0 1 298.224 3.823 20 10 CHCDMN CSCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000069430839 1118572729 /nfs/dbraw/zinc/57/27/29/1118572729.db2.gz APWLSWGVJWJXSV-NSHDSACASA-N 0 1 261.390 3.559 20 10 CHCDMN CC1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000109873258 1118586293 /nfs/dbraw/zinc/58/62/93/1118586293.db2.gz VRYUBKHRPHPARB-UHFFFAOYSA-N 0 1 298.224 3.823 20 10 CHCDMN C[N@H+](Cc1ccsc1)Cc1ccc(Cl)cc1[O-] ZINC001140466222 1118751444 /nfs/dbraw/zinc/75/14/44/1118751444.db2.gz BSIYCVAWOQVLCE-UHFFFAOYSA-N 0 1 267.781 3.739 20 10 CHCDMN C[N@@H+](Cc1ccsc1)Cc1ccc(Cl)cc1[O-] ZINC001140466222 1118751446 /nfs/dbraw/zinc/75/14/46/1118751446.db2.gz BSIYCVAWOQVLCE-UHFFFAOYSA-N 0 1 267.781 3.739 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001140467244 1118753353 /nfs/dbraw/zinc/75/33/53/1118753353.db2.gz RIJQJHSQZFWCCM-SNVBAGLBSA-N 0 1 293.716 3.820 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001140467244 1118753355 /nfs/dbraw/zinc/75/33/55/1118753355.db2.gz RIJQJHSQZFWCCM-SNVBAGLBSA-N 0 1 293.716 3.820 20 10 CHCDMN Cc1nc(C(C)(C)NCc2cc(F)ccc2O)sc1C ZINC000180743249 1128804407 /nfs/dbraw/zinc/80/44/07/1128804407.db2.gz URLHTMDKHUQRCP-UHFFFAOYSA-N 0 1 294.395 3.630 20 10 CHCDMN CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584035 1119212084 /nfs/dbraw/zinc/21/20/84/1119212084.db2.gz DIAJHERTUMQGHO-SMDDNHRTSA-N 0 1 251.345 3.590 20 10 CHCDMN Cc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000053036509 1119531562 /nfs/dbraw/zinc/53/15/62/1119531562.db2.gz WCDUHWANWYXLBQ-CYBMUJFWSA-N 0 1 258.365 3.505 20 10 CHCDMN Cc1cccc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000279928408 1119632185 /nfs/dbraw/zinc/63/21/85/1119632185.db2.gz APDJPRNQVNDZFE-LBPRGKRZSA-N 0 1 290.794 3.642 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)ccc1[O-] ZINC000694376815 1119892008 /nfs/dbraw/zinc/89/20/08/1119892008.db2.gz SGYNBUWCOUCRSC-OXIQGZBJSA-N 0 1 263.356 3.618 20 10 CHCDMN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(Cl)cc1[O-] ZINC000850536155 1119973314 /nfs/dbraw/zinc/97/33/14/1119973314.db2.gz HPMWFPDXXMFWGO-PRHODGIISA-N 0 1 275.726 3.742 20 10 CHCDMN C[C@@H]1CSCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000192180412 1120535597 /nfs/dbraw/zinc/53/55/97/1120535597.db2.gz LUKWZUZNSUDZMF-ZDUSSCGKSA-N 0 1 287.428 3.730 20 10 CHCDMN C[C@@H]1CSCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000192180412 1120535601 /nfs/dbraw/zinc/53/56/01/1120535601.db2.gz LUKWZUZNSUDZMF-ZDUSSCGKSA-N 0 1 287.428 3.730 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922845305 1120612334 /nfs/dbraw/zinc/61/23/34/1120612334.db2.gz LZQNCNSKDGBMHC-CYBMUJFWSA-N 0 1 297.851 3.954 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(Br)ccc1[O-] ZINC000252966495 1120873568 /nfs/dbraw/zinc/87/35/68/1120873568.db2.gz SRVODLWKADLVGN-NRUUGDAUSA-N 0 1 298.224 3.851 20 10 CHCDMN CCCCN(Cc1nccs1)Cc1ccccc1O ZINC000282523038 1121201622 /nfs/dbraw/zinc/20/16/22/1121201622.db2.gz UCIMARYUIQEPAU-UHFFFAOYSA-N 0 1 276.405 3.651 20 10 CHCDMN C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc2ccccc2c1[O-] ZINC000094797012 1121229120 /nfs/dbraw/zinc/22/91/20/1121229120.db2.gz VAYKFYBWPBQYJI-FZKQIMNGSA-N 0 1 285.387 3.765 20 10 CHCDMN Oc1c(F)c(F)ccc1CNc1ccc(Cl)cc1 ZINC000703212607 1121239317 /nfs/dbraw/zinc/23/93/17/1121239317.db2.gz CVANZMINQFEGSA-UHFFFAOYSA-N 0 1 269.678 3.936 20 10 CHCDMN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c([O-])ccc(F)c1Cl ZINC001237121026 1128980898 /nfs/dbraw/zinc/98/08/98/1128980898.db2.gz JYJNNXKZMPLLAM-NXEZZACHSA-N 0 1 271.763 3.948 20 10 CHCDMN CC(C)Oc1ccc(N(C)Cc2[nH]nc3ccccc32)cc1 ZINC000763547380 1128981569 /nfs/dbraw/zinc/98/15/69/1128981569.db2.gz VXRMWIYZZRNYBN-UHFFFAOYSA-N 0 1 295.386 3.987 20 10 CHCDMN [O-]c1cccc(Br)c1C[NH2+]C1(C2CCC2)CC1 ZINC000706863524 1121442529 /nfs/dbraw/zinc/44/25/29/1121442529.db2.gz LJVXGJVVMCBBNK-UHFFFAOYSA-N 0 1 296.208 3.577 20 10 CHCDMN C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000708600467 1121468580 /nfs/dbraw/zinc/46/85/80/1121468580.db2.gz KUJYIURAKLBBQX-GFCCVEGCSA-N 0 1 293.716 3.820 20 10 CHCDMN Cc1cc(Cl)nc(CNCc2c(O)cccc2Cl)c1 ZINC000800283427 1121557512 /nfs/dbraw/zinc/55/75/12/1121557512.db2.gz SBCAIOUZKUSGFA-UHFFFAOYSA-N 0 1 297.185 3.692 20 10 CHCDMN Cc1cc(O)c(CNCc2cccc(F)c2F)c(Cl)c1 ZINC001179294771 1121867938 /nfs/dbraw/zinc/86/79/38/1121867938.db2.gz 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[O-]c1cc(F)c(F)cc1C[N@@H+](CCC1CC1)CC1CC1 ZINC001183036377 1122200884 /nfs/dbraw/zinc/20/08/84/1122200884.db2.gz OWYGJERDTGDGBF-UHFFFAOYSA-N 0 1 281.346 3.683 20 10 CHCDMN CC1(C)CCC(C)([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC001183323751 1122217171 /nfs/dbraw/zinc/21/71/71/1122217171.db2.gz DXHOURHHVGGKEL-UHFFFAOYSA-N 0 1 265.372 3.980 20 10 CHCDMN Cc1csc(CN[C@H](C)c2ccc(C)c(C)c2O)n1 ZINC000273394081 1122231410 /nfs/dbraw/zinc/23/14/10/1122231410.db2.gz LOZHOLMSHWLXMO-GFCCVEGCSA-N 0 1 276.405 3.625 20 10 CHCDMN Cc1ccc(F)c(CN(C)Cc2cccc(C)c2O)c1 ZINC000775169451 1122466800 /nfs/dbraw/zinc/46/68/00/1122466800.db2.gz XHKATVZWLQJOIB-UHFFFAOYSA-N 0 1 273.351 3.780 20 10 CHCDMN C[C@@H](NCc1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000775363329 1122527994 /nfs/dbraw/zinc/52/79/94/1122527994.db2.gz MVRGCSRWHVKKSN-GFCCVEGCSA-N 0 1 289.810 3.652 20 10 CHCDMN CC[C@@H]([NH2+]CCN1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775486888 1122616662 /nfs/dbraw/zinc/61/66/62/1122616662.db2.gz JANRDMBLZKETKV-OAHLLOKOSA-N 0 1 296.842 3.572 20 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VIESKDWVCHRYGU-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCC1 ZINC000775713500 1122919335 /nfs/dbraw/zinc/91/93/35/1122919335.db2.gz VQLVCQVAGKHDHH-UHFFFAOYSA-N 0 1 257.736 3.559 20 10 CHCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1(C)C ZINC000775716626 1122921195 /nfs/dbraw/zinc/92/11/95/1122921195.db2.gz YPVJXDSHOKZLFD-KBPBESRZSA-N 0 1 297.826 3.681 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000160202342 1122945362 /nfs/dbraw/zinc/94/53/62/1122945362.db2.gz RVJDREZTZXEXRJ-WFASDCNBSA-N 0 1 263.356 3.686 20 10 CHCDMN CCC[N@@H+](Cc1ccoc1C)Cc1ccccc1O ZINC000840913195 1122972577 /nfs/dbraw/zinc/97/25/77/1122972577.db2.gz UBQXRIJGMBCTBX-UHFFFAOYSA-N 0 1 259.349 3.706 20 10 CHCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000894987450 1123099336 /nfs/dbraw/zinc/09/93/36/1123099336.db2.gz RIKWCVMIYBRUQG-UHFFFAOYSA-N 0 1 299.386 3.532 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCc1cccc(F)c1 ZINC000776170498 1123100689 /nfs/dbraw/zinc/10/06/89/1123100689.db2.gz UZHKAYYRMALTTK-UHFFFAOYSA-N 0 1 293.769 3.907 20 10 CHCDMN COc1ccc2c(c1)c1c(n2C)CC[N@H+](CCC(C)C)C1 ZINC001201624060 1123132747 /nfs/dbraw/zinc/13/27/47/1123132747.db2.gz TXZDADSGEPJQJY-UHFFFAOYSA-N 0 1 286.419 3.591 20 10 CHCDMN COc1ccc2c(c1)c1c(n2C)CCN(CCC(C)C)C1 ZINC001201624060 1123132748 /nfs/dbraw/zinc/13/27/48/1123132748.db2.gz TXZDADSGEPJQJY-UHFFFAOYSA-N 0 1 286.419 3.591 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000850495291 1123275136 /nfs/dbraw/zinc/27/51/36/1123275136.db2.gz ZLDMRYHPUUYNSQ-YPMHNXCESA-N 0 1 296.842 3.569 20 10 CHCDMN C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850537327 1123287974 /nfs/dbraw/zinc/28/79/74/1123287974.db2.gz TUQDCHFCEXEFOX-QPUJVOFHSA-N 0 1 275.726 3.742 20 10 CHCDMN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000721827851 1123304305 /nfs/dbraw/zinc/30/43/05/1123304305.db2.gz PXHJBEQYHHKHRU-UKRRQHHQSA-N 0 1 297.826 3.729 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@H](C)C1 ZINC000852017806 1123392887 /nfs/dbraw/zinc/39/28/87/1123392887.db2.gz GKIATWIRYVNJEF-GDBMZVCRSA-N 0 1 277.408 3.562 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@H](C)C1 ZINC000852017806 1123392892 /nfs/dbraw/zinc/39/28/92/1123392892.db2.gz GKIATWIRYVNJEF-GDBMZVCRSA-N 0 1 277.408 3.562 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H](CC)C1 ZINC000780758816 1123544241 /nfs/dbraw/zinc/54/42/41/1123544241.db2.gz WTEZANFHGIOTLU-NVXWUHKLSA-N 0 1 291.435 3.809 20 10 CHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H](CC)C1 ZINC000780758816 1123544244 /nfs/dbraw/zinc/54/42/44/1123544244.db2.gz WTEZANFHGIOTLU-NVXWUHKLSA-N 0 1 291.435 3.809 20 10 CHCDMN C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1cc(F)ccc1[O-] ZINC000858538192 1123660996 /nfs/dbraw/zinc/66/09/96/1123660996.db2.gz SXYLUNMDFJIYIM-OVZMXSCWSA-N 0 1 263.356 3.618 20 10 CHCDMN CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000840822404 1123828047 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C[N@H+](Cc1ccc(Cl)cc1[O-])C[C@H]1CC1(C)C ZINC001140465660 1131751468 /nfs/dbraw/zinc/75/14/68/1131751468.db2.gz QGUQCMFSGZQFBB-LLVKDONJSA-N 0 1 253.773 3.524 20 10 CHCDMN CCN(C/C=C/c1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000835030384 1131759281 /nfs/dbraw/zinc/75/92/81/1131759281.db2.gz XQXLOLXXLPTNTQ-BQYQJAHWSA-N 0 1 295.430 3.683 20 10 CHCDMN CC(C)c1cc(CNC/C=C/c2ccc(N(C)C)cc2)on1 ZINC000835039999 1131762768 /nfs/dbraw/zinc/76/27/68/1131762768.db2.gz OKIDSJHKAZWDKD-AATRIKPKSA-N 0 1 299.418 3.667 20 10 CHCDMN Cc1ccc(CN(C)C/C=C\c2ccc(N(C)C)cc2)nc1 ZINC000835051250 1131767096 /nfs/dbraw/zinc/76/70/96/1131767096.db2.gz XQDITESJYQEAOI-WAYWQWQTSA-N 0 1 295.430 3.601 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CC1(C)C ZINC001171285841 1131798694 /nfs/dbraw/zinc/79/86/94/1131798694.db2.gz CWORXNIEAJNQLX-HUUCEWRRSA-N 0 1 293.382 3.648 20 10 CHCDMN Cc1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c(O)c1 ZINC001140958062 1131973990 /nfs/dbraw/zinc/97/39/90/1131973990.db2.gz QMEBUFJDNQTOGM-UHFFFAOYSA-N 0 1 277.383 3.805 20 10 CHCDMN Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c(O)c1 ZINC001140958257 1131974201 /nfs/dbraw/zinc/97/42/01/1131974201.db2.gz WGKSSFQOVIAJKM-CQSZACIVSA-N 0 1 267.372 3.647 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)C2CC(C)(C)C2)c1O ZINC000839183705 1132188851 /nfs/dbraw/zinc/18/88/51/1132188851.db2.gz AKGPXIAFFUXZED-UHFFFAOYSA-N 0 1 283.799 3.675 20 10 CHCDMN CC[N@H+](Cc1ccccc1[O-])C1CC(C)(C)OC(C)(C)C1 ZINC001172660793 1132292758 /nfs/dbraw/zinc/29/27/58/1132292758.db2.gz XXBIJXKJSGHREI-UHFFFAOYSA-N 0 1 291.435 3.950 20 10 CHCDMN CC[N@@H+](Cc1ccccc1[O-])C1CC(C)(C)OC(C)(C)C1 ZINC001172660793 1132292764 /nfs/dbraw/zinc/29/27/64/1132292764.db2.gz XXBIJXKJSGHREI-UHFFFAOYSA-N 0 1 291.435 3.950 20 10 CHCDMN Cc1csc([C@H](C)NCc2ccc(N(C)C)cc2C)n1 ZINC000840931545 1132310248 /nfs/dbraw/zinc/31/02/48/1132310248.db2.gz HPOZEVMWRXMPOC-ZDUSSCGKSA-N 0 1 289.448 3.677 20 10 CHCDMN COC[C@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840952479 1132311461 /nfs/dbraw/zinc/31/14/61/1132311461.db2.gz ATSVJLCZYVIWPL-ZDUSSCGKSA-N 0 1 297.826 3.603 20 10 CHCDMN COC[C@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840952479 1132311466 /nfs/dbraw/zinc/31/14/66/1132311466.db2.gz ATSVJLCZYVIWPL-ZDUSSCGKSA-N 0 1 297.826 3.603 20 10 CHCDMN Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000840947972 1132312306 /nfs/dbraw/zinc/31/23/06/1132312306.db2.gz IFUACPRPAOSYGW-SFHVURJKSA-N 0 1 298.434 3.511 20 10 CHCDMN Cc1cc(O)c(CNCc2ccc(C)c(C)n2)c(Cl)c1 ZINC000840952473 1132312597 /nfs/dbraw/zinc/31/25/97/1132312597.db2.gz ALZKGKKWZFLRFZ-UHFFFAOYSA-N 0 1 290.794 3.656 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(C)c(C)n2)c(Cl)c1 ZINC000840952473 1132312602 /nfs/dbraw/zinc/31/26/02/1132312602.db2.gz ALZKGKKWZFLRFZ-UHFFFAOYSA-N 0 1 290.794 3.656 20 10 CHCDMN Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001231586168 1132316838 /nfs/dbraw/zinc/31/68/38/1132316838.db2.gz CKQPADZGAXBLRF-KXBFYZLASA-N 0 1 297.398 3.546 20 10 CHCDMN CC[NH2+]Cc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000841042971 1132324683 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C[C@@H]([NH2+]CCOCC1CCC1)c1ccc(Cl)cc1[O-] ZINC000841751199 1132389977 /nfs/dbraw/zinc/38/99/77/1132389977.db2.gz FTVLCGMPCMHEIR-LLVKDONJSA-N 0 1 283.799 3.513 20 10 CHCDMN Cc1cnc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841749008 1132390444 /nfs/dbraw/zinc/39/04/44/1132390444.db2.gz CPKQEZQZQXNGGO-SECBINFHSA-N 0 1 282.796 3.661 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C2(CC2)C1 ZINC001231883714 1132390752 /nfs/dbraw/zinc/39/07/52/1132390752.db2.gz SYIVXYZOUKZYAI-ZDUSSCGKSA-N 0 1 267.372 3.920 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C2(CC2)C1 ZINC001231883714 1132390760 /nfs/dbraw/zinc/39/07/60/1132390760.db2.gz SYIVXYZOUKZYAI-ZDUSSCGKSA-N 0 1 267.372 3.920 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccc[nH]1 ZINC000841753296 1132391437 /nfs/dbraw/zinc/39/14/37/1132391437.db2.gz YRCKOFKCFQTDQN-NXEZZACHSA-N 0 1 264.756 3.786 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](F)CC2)ccc2ccccc21 ZINC001231879685 1132391445 /nfs/dbraw/zinc/39/14/45/1132391445.db2.gz NPKLVOYRKCQMCV-OAHLLOKOSA-N 0 1 273.351 3.869 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](F)CC2)ccc2ccccc21 ZINC001231879685 1132391452 /nfs/dbraw/zinc/39/14/52/1132391452.db2.gz NPKLVOYRKCQMCV-OAHLLOKOSA-N 0 1 273.351 3.869 20 10 CHCDMN C[N@H+](CCc1cccnc1)Cc1ccc2ccccc2c1[O-] ZINC001231880991 1132391633 /nfs/dbraw/zinc/39/16/33/1132391633.db2.gz PNLQKJXSLUEHRC-UHFFFAOYSA-N 0 1 292.382 3.615 20 10 CHCDMN C[N@@H+](CCc1cccnc1)Cc1ccc2ccccc2c1[O-] ZINC001231880991 1132391642 /nfs/dbraw/zinc/39/16/42/1132391642.db2.gz PNLQKJXSLUEHRC-UHFFFAOYSA-N 0 1 292.382 3.615 20 10 CHCDMN CCCc1ncc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841753378 1132391776 /nfs/dbraw/zinc/39/17/76/1132391776.db2.gz HHUOOUVXSGXCRJ-SNVBAGLBSA-N 0 1 294.782 3.837 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccc[nH]1 ZINC000841753298 1132392539 /nfs/dbraw/zinc/39/25/39/1132392539.db2.gz YRCKOFKCFQTDQN-UWVGGRQHSA-N 0 1 264.756 3.786 20 10 CHCDMN CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841757619 1132395055 /nfs/dbraw/zinc/39/50/55/1132395055.db2.gz NVVNWVJBYUUVKB-WCFLWFBJSA-N 0 1 283.799 3.652 20 10 CHCDMN Oc1c(Cl)cccc1CN1Cc2cccc(F)c2C1 ZINC001231912425 1132398439 /nfs/dbraw/zinc/39/84/39/1132398439.db2.gz FRXFSUQGNJWQNP-UHFFFAOYSA-N 0 1 277.726 3.701 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001231910661 1132398854 /nfs/dbraw/zinc/39/88/54/1132398854.db2.gz PVKIDHUHTUYLHW-NWDGAFQWSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000841888611 1132400146 /nfs/dbraw/zinc/40/01/46/1132400146.db2.gz NAYNQTRPTGEPLS-UHFFFAOYSA-N 0 1 295.810 3.579 20 10 CHCDMN C[C@]1(F)CCCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231910613 1132400481 /nfs/dbraw/zinc/40/04/81/1132400481.db2.gz PGKFIFBTKBZPFW-AWEZNQCLSA-N 0 1 271.763 3.760 20 10 CHCDMN CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CCCCC1 ZINC001142502057 1132402084 /nfs/dbraw/zinc/40/20/84/1132402084.db2.gz HTAZPHIOPUYBPG-UHFFFAOYSA-N 0 1 269.335 3.825 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001142524664 1132402899 /nfs/dbraw/zinc/40/28/99/1132402899.db2.gz GATMBJYWVBOWCQ-NHYWBVRUSA-N 0 1 281.346 3.825 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCc2ccccc2C1 ZINC001142524616 1132403079 /nfs/dbraw/zinc/40/30/79/1132403079.db2.gz DPEWMIOVRIQJNI-UHFFFAOYSA-N 0 1 289.325 3.619 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001142524665 1132403285 /nfs/dbraw/zinc/40/32/85/1132403285.db2.gz GATMBJYWVBOWCQ-XHDPSFHLSA-N 0 1 281.346 3.825 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC3(CCCC3)C2)cc1Cl ZINC001232264937 1132447569 /nfs/dbraw/zinc/44/75/69/1132447569.db2.gz ORRIHURZNOGALG-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC3(CCCC3)C2)cc1Cl ZINC001232264937 1132447573 /nfs/dbraw/zinc/44/75/73/1132447573.db2.gz ORRIHURZNOGALG-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1CCC(F)CC1 ZINC000842780495 1132461372 /nfs/dbraw/zinc/46/13/72/1132461372.db2.gz 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/nfs/dbraw/zinc/80/85/67/1132808567.db2.gz WVIFUGIOERTGLF-UHFFFAOYSA-N 0 1 277.327 3.622 20 10 CHCDMN Cc1c[nH+]ccc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001174539453 1132900190 /nfs/dbraw/zinc/90/01/90/1132900190.db2.gz GFEWZHSMZHRJHI-UHFFFAOYSA-N 0 1 269.131 3.568 20 10 CHCDMN Oc1ccc(F)cc1Nc1ccncc1Oc1ccccc1 ZINC001174627132 1132930973 /nfs/dbraw/zinc/93/09/73/1132930973.db2.gz OSFOPSXFZOHKLC-UHFFFAOYSA-N 0 1 296.301 3.884 20 10 CHCDMN Cc1cnc(NCc2c(C)cc(C)cc2O)c(C)c1 ZINC001160809864 1132982556 /nfs/dbraw/zinc/98/25/56/1132982556.db2.gz BJHFKMLBIYBVGO-UHFFFAOYSA-N 0 1 256.349 3.633 20 10 CHCDMN CCN(Cc1ccccc1O)Cc1cccc(F)c1F ZINC001203561258 1133340270 /nfs/dbraw/zinc/34/02/70/1133340270.db2.gz OFAWFACEESLMAZ-UHFFFAOYSA-N 0 1 277.314 3.693 20 10 CHCDMN Oc1ccccc1C[N@H+]1CCSc2ccccc2C1 ZINC001203561203 1133340712 /nfs/dbraw/zinc/34/07/12/1133340712.db2.gz NGKQQCZVFBYQLZ-UHFFFAOYSA-N 0 1 271.385 3.500 20 10 CHCDMN Oc1ccc(Cl)cc1C[N@H+]1CCC12CCCCC2 ZINC001203651419 1133346132 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1133371211 /nfs/dbraw/zinc/37/12/11/1133371211.db2.gz ZGGDDDSHRZCVLT-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1Cl ZINC001204767750 1133482730 /nfs/dbraw/zinc/48/27/30/1133482730.db2.gz CZGYVMYJJIUFOG-MNOVXSKESA-N 0 1 285.840 3.680 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1Cl ZINC001204767750 1133482732 /nfs/dbraw/zinc/48/27/32/1133482732.db2.gz CZGYVMYJJIUFOG-MNOVXSKESA-N 0 1 285.840 3.680 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1Cl ZINC001204767750 1133482734 /nfs/dbraw/zinc/48/27/34/1133482734.db2.gz CZGYVMYJJIUFOG-MNOVXSKESA-N 0 1 285.840 3.680 20 10 CHCDMN Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001205162410 1133539022 /nfs/dbraw/zinc/53/90/22/1133539022.db2.gz NZHLVHLHKCPICL-HNNXBMFYSA-N 0 1 290.794 3.721 20 10 CHCDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001205162410 1133539023 /nfs/dbraw/zinc/53/90/23/1133539023.db2.gz NZHLVHLHKCPICL-HNNXBMFYSA-N 0 1 290.794 3.721 20 10 CHCDMN Cc1cnc([C@@H](C)C[NH2+]Cc2ccc(Cl)cc2[O-])s1 ZINC001205300219 1133557481 /nfs/dbraw/zinc/55/74/81/1133557481.db2.gz WBSBBTPKPBPZNT-VIFPVBQESA-N 0 1 296.823 3.704 20 10 CHCDMN Oc1cccc2c1CN(Cc1sccc1Cl)CC2 ZINC001205347319 1133565748 /nfs/dbraw/zinc/56/57/48/1133565748.db2.gz LMJJGAVYSWUEED-UHFFFAOYSA-N 0 1 279.792 3.665 20 10 CHCDMN CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001205540868 1133585600 /nfs/dbraw/zinc/58/56/00/1133585600.db2.gz LHNXTUDUPTZSIS-INIZCTEOSA-N 0 1 297.826 3.827 20 10 CHCDMN CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001205540868 1133585605 /nfs/dbraw/zinc/58/56/05/1133585605.db2.gz LHNXTUDUPTZSIS-INIZCTEOSA-N 0 1 297.826 3.827 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(C(F)F)nc1 ZINC001206516980 1133713075 /nfs/dbraw/zinc/71/30/75/1133713075.db2.gz JFCOQNCJLOBMJA-UHFFFAOYSA-N 0 1 298.720 3.668 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])Cc2ccccc21 ZINC001207447993 1133801792 /nfs/dbraw/zinc/80/17/92/1133801792.db2.gz IAZYUCVIDBVWBS-NSHDSACASA-N 0 1 289.325 3.790 20 10 CHCDMN CC[N@@H+](CCCc1ccccc1F)Cc1ccccc1O ZINC001207494286 1133808520 /nfs/dbraw/zinc/80/85/20/1133808520.db2.gz APTHWVWBPAUQKM-UHFFFAOYSA-N 0 1 287.378 3.986 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(F)(F)CC1 ZINC000404793798 1134948481 /nfs/dbraw/zinc/94/84/81/1134948481.db2.gz PVQRGQJTCQYJMY-UHFFFAOYSA-N 0 1 296.144 3.930 20 10 CHCDMN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000106255644 186105977 /nfs/dbraw/zinc/10/59/77/186105977.db2.gz WDHNZDWDVVYTRT-MJHDQNEOSA-N 0 1 253.773 3.714 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000037328777 173129852 /nfs/dbraw/zinc/12/98/52/173129852.db2.gz FRCWCTLFZFMMQM-SNVBAGLBSA-N 0 1 283.799 3.725 20 10 CHCDMN COc1ccc(CNCc2ccccc2Cl)cc1C ZINC000035052381 260005900 /nfs/dbraw/zinc/00/59/00/260005900.db2.gz GLAIAAZMZCSTPR-UHFFFAOYSA-N 0 1 275.779 3.947 20 10 CHCDMN C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cc(Cl)ccc1[O-] ZINC000185534271 262059114 /nfs/dbraw/zinc/05/91/14/262059114.db2.gz 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/nfs/dbraw/zinc/34/08/19/267340819.db2.gz NTBMHHYPHYVTCH-OAHLLOKOSA-N 0 1 285.387 3.546 20 10 CHCDMN CO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000370707307 267340822 /nfs/dbraw/zinc/34/08/22/267340822.db2.gz NTBMHHYPHYVTCH-OAHLLOKOSA-N 0 1 285.387 3.546 20 10 CHCDMN C[C@H](N[C@@H](C)c1ncccc1F)c1cc(Cl)ccc1O ZINC000528034936 330302506 /nfs/dbraw/zinc/30/25/06/330302506.db2.gz BYLNUMHRQSZHIA-UWVGGRQHSA-N 0 1 294.757 3.992 20 10 CHCDMN Cc1ccc([C@H](C)N[C@@H](C)c2ncccc2F)c(O)c1C ZINC000528035048 330302570 /nfs/dbraw/zinc/30/25/70/330302570.db2.gz DJBXMIPAKOXOSH-STQMWFEESA-N 0 1 288.366 3.955 20 10 CHCDMN C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000528008395 330303550 /nfs/dbraw/zinc/30/35/50/330303550.db2.gz TZKCDTUBMHBFTC-DMZJWBPISA-N 0 1 283.799 3.508 20 10 CHCDMN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000528008396 330303607 /nfs/dbraw/zinc/30/36/07/330303607.db2.gz TZKCDTUBMHBFTC-QSJCVTFJSA-N 0 1 283.799 3.508 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000230667650 333320339 /nfs/dbraw/zinc/32/03/39/333320339.db2.gz CRXMAJSUWQSBDJ-AAEUAGOBSA-N 0 1 273.401 3.702 20 10 CHCDMN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000290234606 523891218 /nfs/dbraw/zinc/89/12/18/523891218.db2.gz RZZCKOGAOBSDNJ-JHJVBQTASA-N 0 1 273.376 3.619 20 10 CHCDMN Cc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000366545598 525339715 /nfs/dbraw/zinc/33/97/15/525339715.db2.gz QQMLQBRAFCULIQ-KRWDZBQOSA-N 0 1 282.387 3.679 20 10 CHCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000050286495 525450920 /nfs/dbraw/zinc/45/09/20/525450920.db2.gz UAQLGLZIKXACHK-ZDUSSCGKSA-N 0 1 270.376 3.513 20 10 CHCDMN C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203573776 1122233099 /nfs/dbraw/zinc/23/30/99/1122233099.db2.gz HDZGLWIBLAVPAQ-GMSGAONNSA-N 0 1 278.154 3.631 20 10 CHCDMN C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203573776 1122233102 /nfs/dbraw/zinc/23/31/02/1122233102.db2.gz 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CC(C)[C@@H]1CCC[N@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237940452 1131153472 /nfs/dbraw/zinc/15/34/72/1131153472.db2.gz LDUYEIIIHQTVEU-ZDUSSCGKSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000287045592 1127283907 /nfs/dbraw/zinc/28/39/07/1127283907.db2.gz MOIVBBDHGDMGQQ-QWRGUYRKSA-N 0 1 285.840 3.839 20 10 CHCDMN CCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])CC1CC1 ZINC000761183851 1127506660 /nfs/dbraw/zinc/50/66/60/1127506660.db2.gz CIPXFWHJJSCKEI-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN CCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])CC1CC1 ZINC000761183851 1127506662 /nfs/dbraw/zinc/50/66/62/1127506662.db2.gz CIPXFWHJJSCKEI-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CC1(C)C ZINC000295121634 1127621916 /nfs/dbraw/zinc/62/19/16/1127621916.db2.gz XLRXMKYGLXPDIX-GOSISDBHSA-N 0 1 299.414 3.792 20 10 CHCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1(C)C ZINC000295121634 1127621917 /nfs/dbraw/zinc/62/19/17/1127621917.db2.gz XLRXMKYGLXPDIX-GOSISDBHSA-N 0 1 299.414 3.792 20 10 CHCDMN CCc1nc([C@H](C)N[C@@H]2CCc3cccc(O)c32)cs1 ZINC000297685632 1127704172 /nfs/dbraw/zinc/70/41/72/1127704172.db2.gz LRZHDEFSDRJAPV-CMPLNLGQSA-N 0 1 288.416 3.749 20 10 CHCDMN C[N@@H+](Cc1cccc(F)c1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001138127456 1127765661 /nfs/dbraw/zinc/76/56/61/1127765661.db2.gz CJMMWDZETFLTQM-UHFFFAOYSA-N 0 1 289.394 3.932 20 10 CHCDMN CCOc1ccc2nc(Sc3nccs3)[nH]c2c1 ZINC000915212495 1128291142 /nfs/dbraw/zinc/29/11/42/1128291142.db2.gz XJZHQPRVAKPARA-UHFFFAOYSA-N 0 1 277.374 3.569 20 10 CHCDMN C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cc(F)ccc1[O-] ZINC000324606571 1128390073 /nfs/dbraw/zinc/39/00/73/1128390073.db2.gz BJRZXUUFPGHJAE-MGPLVRAMSA-N 0 1 263.356 3.761 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)C(C)(C)C)c1[O-] ZINC000042774014 1128585337 /nfs/dbraw/zinc/58/53/37/1128585337.db2.gz MXCNCHCRAOWKEP-LLVKDONJSA-N 0 1 281.371 3.600 20 10 CHCDMN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779022442 1128685193 /nfs/dbraw/zinc/68/51/93/1128685193.db2.gz BTCNNIBOSJUDMT-GOSISDBHSA-N 0 1 285.362 3.695 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000728196648 1117869494 /nfs/dbraw/zinc/86/94/94/1117869494.db2.gz OIGBARGTYUSALY-KRWDZBQOSA-N 0 1 282.387 3.705 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000728196648 1117869500 /nfs/dbraw/zinc/86/95/00/1117869500.db2.gz OIGBARGTYUSALY-KRWDZBQOSA-N 0 1 282.387 3.705 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000211466155 1118055394 /nfs/dbraw/zinc/05/53/94/1118055394.db2.gz ZJDJPIJELGPYKP-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC000779151212 1128753014 /nfs/dbraw/zinc/75/30/14/1128753014.db2.gz VSMHNPYEGFYKIQ-QAPCUYQASA-N 0 1 290.426 3.857 20 10 CHCDMN COc1ccc(O)c(CN(C)[C@H](C)c2ccccc2F)c1 ZINC000179677398 1128753655 /nfs/dbraw/zinc/75/36/55/1128753655.db2.gz AZXBLSXJRPORSC-GFCCVEGCSA-N 0 1 289.350 3.733 20 10 CHCDMN C[C@@H]1CCSCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000189915031 1128787508 /nfs/dbraw/zinc/78/75/08/1128787508.db2.gz UGPIMMWAJUXHDC-CYBMUJFWSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@@H]1CCSCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000189915031 1128787512 /nfs/dbraw/zinc/78/75/12/1128787512.db2.gz UGPIMMWAJUXHDC-CYBMUJFWSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000834908929 1118628029 /nfs/dbraw/zinc/62/80/29/1118628029.db2.gz ISXCHWTYAFGMNG-NWDGAFQWSA-N 0 1 297.826 3.901 20 10 CHCDMN CCCC[N@H+](CC)Cc1c([O-])cccc1Br ZINC000707140129 1118643776 /nfs/dbraw/zinc/64/37/76/1118643776.db2.gz BIGAQFIZAREXPG-UHFFFAOYSA-N 0 1 286.213 3.777 20 10 CHCDMN CCCC[N@@H+](CC)Cc1c([O-])cccc1Br ZINC000707140129 1118643778 /nfs/dbraw/zinc/64/37/78/1118643778.db2.gz BIGAQFIZAREXPG-UHFFFAOYSA-N 0 1 286.213 3.777 20 10 CHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001140583605 1119154655 /nfs/dbraw/zinc/15/46/55/1119154655.db2.gz NHZXPOXZMKXHQN-IAQYHMDHSA-N 0 1 281.346 3.825 20 10 CHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000728562893 1119345018 /nfs/dbraw/zinc/34/50/18/1119345018.db2.gz QFYUQDRMBVNGKW-QGZVFWFLSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728562893 1119345019 /nfs/dbraw/zinc/34/50/19/1119345019.db2.gz QFYUQDRMBVNGKW-QGZVFWFLSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000728562893 1119345020 /nfs/dbraw/zinc/34/50/20/1119345020.db2.gz QFYUQDRMBVNGKW-QGZVFWFLSA-N 0 1 267.372 3.920 20 10 CHCDMN CC[N@@H+](Cc1ccccc1F)Cc1ccc(O)c(C)c1O ZINC001140748445 1119795628 /nfs/dbraw/zinc/79/56/28/1119795628.db2.gz GQACIHUUGQPMAK-UHFFFAOYSA-N 0 1 289.350 3.567 20 10 CHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccoc1 ZINC000177975956 1119893996 /nfs/dbraw/zinc/89/39/96/1119893996.db2.gz HXFKJHOKYGZSMA-CQSZACIVSA-N 0 1 270.376 3.731 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(Br)cc1[O-] ZINC000850508949 1119961744 /nfs/dbraw/zinc/96/17/44/1119961744.db2.gz MJNPINLKRADJSD-MWLCHTKSSA-N 0 1 282.181 3.524 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695097682 1120105380 /nfs/dbraw/zinc/10/53/80/1120105380.db2.gz QDMGMNKNYDGVIJ-LLVKDONJSA-N 0 1 275.726 3.713 20 10 CHCDMN Cc1ccc(CC[N@H+](C)Cc2ccc(C)cc2O)cc1 ZINC001140950934 1120135962 /nfs/dbraw/zinc/13/59/62/1120135962.db2.gz PPJCRHSCPZYIPM-UHFFFAOYSA-N 0 1 269.388 3.684 20 10 CHCDMN C[C@H]([NH2+]CC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000111159189 1120138217 /nfs/dbraw/zinc/13/82/17/1120138217.db2.gz ZIOUFXBSXRDPJW-ZDUSSCGKSA-N 0 1 285.387 3.623 20 10 CHCDMN CC(C)n1cc([C@@H](C)NCc2ccc3c(c2)CCCO3)cn1 ZINC000921734844 1120178689 /nfs/dbraw/zinc/17/86/89/1120178689.db2.gz IEUZEKRIBDTTNW-CQSZACIVSA-N 0 1 299.418 3.640 20 10 CHCDMN c1cc(CNCc2ccc(N3CCCCC3)cc2)co1 ZINC000069833045 1128910839 /nfs/dbraw/zinc/91/08/39/1128910839.db2.gz WAEKNRUZNOPKJF-UHFFFAOYSA-N 0 1 270.376 3.560 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc2ccccc2c1[O-] ZINC000313016796 1120672292 /nfs/dbraw/zinc/67/22/92/1120672292.db2.gz GZFGIPRPQVLJSI-MLGOLLRUSA-N 0 1 285.387 3.621 20 10 CHCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000085040900 1120714835 /nfs/dbraw/zinc/71/48/35/1120714835.db2.gz YVTIHNGCIJUMQJ-UHIISALHSA-N 0 1 267.800 3.960 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136691579 1120844303 /nfs/dbraw/zinc/84/43/03/1120844303.db2.gz HGUHJLQIWWHUOW-LBPRGKRZSA-N 0 1 295.810 3.627 20 10 CHCDMN COC1(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CCC1 ZINC000186509336 1120920955 /nfs/dbraw/zinc/92/09/55/1120920955.db2.gz VJJLDZYCOIHAQR-ZDUSSCGKSA-N 0 1 285.387 3.765 20 10 CHCDMN Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000078680583 1128954691 /nfs/dbraw/zinc/95/46/91/1128954691.db2.gz RXFRELYLZWRFOJ-GOSISDBHSA-N 0 1 297.398 3.573 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(Br)ccc1[O-] ZINC000700586049 1121107240 /nfs/dbraw/zinc/10/72/40/1121107240.db2.gz GJOPMPBYFYVUBR-DGCLKSJQSA-N 0 1 296.208 3.914 20 10 CHCDMN CC(C)N(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000054110883 1121118696 /nfs/dbraw/zinc/11/86/96/1121118696.db2.gz HUXXKNRFSWXDKH-AWEZNQCLSA-N 0 1 286.419 3.536 20 10 CHCDMN COc1ccc(Cl)c(NCc2ccc(F)c(F)c2O)c1 ZINC000700765305 1121121145 /nfs/dbraw/zinc/12/11/45/1121121145.db2.gz OJWLTRVGEOBCJB-UHFFFAOYSA-N 0 1 299.704 3.945 20 10 CHCDMN Cc1cc(C[NH2+]Cc2c([O-])cccc2Cl)ccc1F ZINC000113316689 1121142518 /nfs/dbraw/zinc/14/25/18/1121142518.db2.gz OFUSJUIEMUQZFO-UHFFFAOYSA-N 0 1 279.742 3.783 20 10 CHCDMN CC1([NH2+]Cc2c([O-])cccc2Br)CCCC1 ZINC000706858358 1121442107 /nfs/dbraw/zinc/44/21/07/1121442107.db2.gz UPXIUEUNCQNCFK-UHFFFAOYSA-N 0 1 284.197 3.577 20 10 CHCDMN CCC[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)OCC ZINC001179248081 1121864531 /nfs/dbraw/zinc/86/45/31/1121864531.db2.gz NGLNVYABJQKOAO-GFCCVEGCSA-N 0 1 285.815 3.649 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)C[C@H]2C)c(Cl)c1 ZINC001179898777 1121918722 /nfs/dbraw/zinc/91/87/22/1121918722.db2.gz UIQUZOGPDXCUSL-WDEREUQCSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)C[C@H]2C)c(Cl)c1 ZINC001179898777 1121918725 /nfs/dbraw/zinc/91/87/25/1121918725.db2.gz UIQUZOGPDXCUSL-WDEREUQCSA-N 0 1 253.773 3.584 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C/C=C\c1ccccc1 ZINC000732986934 1121950716 /nfs/dbraw/zinc/95/07/16/1121950716.db2.gz OSNZGJFLRAIVLO-DAXSKMNVSA-N 0 1 273.763 3.849 20 10 CHCDMN COc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cc1C ZINC000733327165 1121977584 /nfs/dbraw/zinc/97/75/84/1121977584.db2.gz MYKALVSDYLKZTA-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]C/C=C/c1ccccc1 ZINC000733326567 1121977837 /nfs/dbraw/zinc/97/78/37/1121977837.db2.gz LWCNWCPMSSKTDQ-VMPITWQZSA-N 0 1 273.763 3.849 20 10 CHCDMN CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001180372359 1121985476 /nfs/dbraw/zinc/98/54/76/1121985476.db2.gz REQUYZSBQWWCQJ-NSHDSACASA-N 0 1 271.763 3.949 20 10 CHCDMN CCCC[N@@H+](CC)Cc1c([O-])ccc(Cl)c1F ZINC001180438462 1121986521 /nfs/dbraw/zinc/98/65/21/1121986521.db2.gz ZYILOPUFPLLADG-UHFFFAOYSA-N 0 1 259.752 3.807 20 10 CHCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCc2ccccc21 ZINC001180531294 1121994818 /nfs/dbraw/zinc/99/48/18/1121994818.db2.gz FPULXODYWFDPIZ-HNNXBMFYSA-N 0 1 289.325 3.790 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1(C)C ZINC001180672164 1122005186 /nfs/dbraw/zinc/00/51/86/1122005186.db2.gz GKYYTSLABQOROL-JTQLQIEISA-N 0 1 269.335 3.538 20 10 CHCDMN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181543955 1122061968 /nfs/dbraw/zinc/06/19/68/1122061968.db2.gz IYRNOBWGQURMGT-ZWNOBZJWSA-N 0 1 253.773 3.809 20 10 CHCDMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181543955 1122061974 /nfs/dbraw/zinc/06/19/74/1122061974.db2.gz IYRNOBWGQURMGT-ZWNOBZJWSA-N 0 1 253.773 3.809 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000273347904 1122229216 /nfs/dbraw/zinc/22/92/16/1122229216.db2.gz BBCFRRYUCUGDAT-UTUOFQBUSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@H]([NH2+]CC1(CCO)CCCC1)c1cc(Cl)ccc1[O-] ZINC000273581457 1122240285 /nfs/dbraw/zinc/24/02/85/1122240285.db2.gz MRCXBWVCVDSSLZ-LBPRGKRZSA-N 0 1 297.826 3.639 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711493781 1122296142 /nfs/dbraw/zinc/29/61/42/1122296142.db2.gz AIPMEETYNDPDOR-VIFPVBQESA-N 0 1 292.181 3.881 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000775134034 1122435241 /nfs/dbraw/zinc/43/52/41/1122435241.db2.gz ANWDCQTWCIPZCN-VIFPVBQESA-N 0 1 293.716 3.820 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000775134034 1122435245 /nfs/dbraw/zinc/43/52/45/1122435245.db2.gz ANWDCQTWCIPZCN-VIFPVBQESA-N 0 1 293.716 3.820 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000775134033 1122435265 /nfs/dbraw/zinc/43/52/65/1122435265.db2.gz ANWDCQTWCIPZCN-SECBINFHSA-N 0 1 293.716 3.820 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000775134033 1122435269 /nfs/dbraw/zinc/43/52/69/1122435269.db2.gz ANWDCQTWCIPZCN-SECBINFHSA-N 0 1 293.716 3.820 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775485390 1122616246 /nfs/dbraw/zinc/61/62/46/1122616246.db2.gz SPNNFWLIYVTGIG-NOZJJQNGSA-N 0 1 253.773 3.885 20 10 CHCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cn1 ZINC000775501470 1122628763 /nfs/dbraw/zinc/62/87/63/1122628763.db2.gz RHUJUSSLFJIKSA-NSHDSACASA-N 0 1 288.778 3.521 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000775508573 1122629569 /nfs/dbraw/zinc/62/95/69/1122629569.db2.gz CVEDUGRDNDCINM-HZMBPMFUSA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Cl)ccc1[O-] ZINC000775511863 1122633748 /nfs/dbraw/zinc/63/37/48/1122633748.db2.gz DOUDYVVVFQQAEA-WHOFXGATSA-N 0 1 297.826 3.637 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1cc(Cl)ccc1[O-] ZINC000775532257 1122648512 /nfs/dbraw/zinc/64/85/12/1122648512.db2.gz UINPTUBHUZJOMI-TZMCWYRMSA-N 0 1 283.799 3.655 20 10 CHCDMN Cc1csc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000080272827 1129080123 /nfs/dbraw/zinc/08/01/23/1129080123.db2.gz DDHUNIYPNQKNLI-OLZOCXBDSA-N 0 1 289.448 3.929 20 10 CHCDMN Cc1csc([C@@H](C)N[C@H](C)c2cc(C)ccc2O)n1 ZINC000080270206 1129080136 /nfs/dbraw/zinc/08/01/36/1129080136.db2.gz DUMGTTJHONUXDT-VXGBXAGGSA-N 0 1 276.405 3.877 20 10 CHCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775652610 1122868494 /nfs/dbraw/zinc/86/84/94/1122868494.db2.gz NXPLLGUCFPYAAD-SECBINFHSA-N 0 1 259.752 3.661 20 10 CHCDMN Oc1c(F)cc(Cl)cc1CN1Cc2ccccc2C1 ZINC000775680607 1122902071 /nfs/dbraw/zinc/90/20/71/1122902071.db2.gz GTBVPNYDJHEABH-UHFFFAOYSA-N 0 1 277.726 3.701 20 10 CHCDMN Cc1cc(Br)cc(CN2CC=C(C)CC2)c1O ZINC000775701186 1122912363 /nfs/dbraw/zinc/91/23/63/1122912363.db2.gz DHMWNHGLWLCGAH-UHFFFAOYSA-N 0 1 296.208 3.615 20 10 CHCDMN COc1cccc(Cl)c1CN[C@H](C)c1ccccc1O ZINC000188281477 1123056570 /nfs/dbraw/zinc/05/65/70/1123056570.db2.gz FUQAYSMZGHXYGZ-LLVKDONJSA-N 0 1 291.778 3.905 20 10 CHCDMN CC[C@@H](C)CN1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001201511336 1123113996 /nfs/dbraw/zinc/11/39/96/1123113996.db2.gz JIELUBMRVDDWHH-CYBMUJFWSA-N 0 1 286.419 3.591 20 10 CHCDMN CSCC1(CC[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000850356227 1123255490 /nfs/dbraw/zinc/25/54/90/1123255490.db2.gz QPKSWJPUVFNKFT-UHFFFAOYSA-N 0 1 285.840 3.669 20 10 CHCDMN CCOc1cccc(CNc2nccc(C)c2C2CC2)c1O ZINC000850363021 1123257564 /nfs/dbraw/zinc/25/75/64/1123257564.db2.gz YBVYFFLLCPPRLM-UHFFFAOYSA-N 0 1 298.386 3.984 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000850483239 1123274074 /nfs/dbraw/zinc/27/40/74/1123274074.db2.gz VLCKEIUTWODJKD-AAEUAGOBSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000850483240 1123274477 /nfs/dbraw/zinc/27/44/77/1123274477.db2.gz VLCKEIUTWODJKD-DGCLKSJQSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc(Cl)ccc1[O-] ZINC000850551332 1123289872 /nfs/dbraw/zinc/28/98/72/1123289872.db2.gz GWKBBFGIHAMHIO-UFBFGSQYSA-N 0 1 289.753 3.988 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc(Cl)ccc1[O-] ZINC000850551327 1123290087 /nfs/dbraw/zinc/29/00/87/1123290087.db2.gz GWKBBFGIHAMHIO-PELKAZGASA-N 0 1 289.753 3.988 20 10 CHCDMN C[C@H]([NH2+]CC1SCCS1)c1ccc(Cl)cc1[O-] ZINC000850562536 1123292909 /nfs/dbraw/zinc/29/29/09/1123292909.db2.gz WMMZTGACYZBXLT-QMMMGPOBSA-N 0 1 289.853 3.502 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000850572011 1123294981 /nfs/dbraw/zinc/29/49/81/1123294981.db2.gz XWFBOJUCPNBLEP-SMDDNHRTSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000850572008 1123295184 /nfs/dbraw/zinc/29/51/84/1123295184.db2.gz XWFBOJUCPNBLEP-BXUZGUMPSA-N 0 1 297.826 3.901 20 10 CHCDMN C[C@@H](CCc1ccco1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020144929 1123365025 /nfs/dbraw/zinc/36/50/25/1123365025.db2.gz ZBYGWLJQSXFYOY-NSHDSACASA-N 0 1 279.767 3.750 20 10 CHCDMN CC[C@@H]([NH2+]Cc1ccnn1CC)c1cc(Cl)ccc1[O-] ZINC000853241032 1123429065 /nfs/dbraw/zinc/42/90/65/1123429065.db2.gz SAHHDYCYONJCHX-CQSZACIVSA-N 0 1 293.798 3.503 20 10 CHCDMN CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])ccc2ccncc21 ZINC000853605921 1123444263 /nfs/dbraw/zinc/44/42/63/1123444263.db2.gz PKLMANGTQIVFNM-LQDVMPOASA-N 0 1 282.387 3.703 20 10 CHCDMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])ccc2ccncc21 ZINC000853605921 1123444266 /nfs/dbraw/zinc/44/42/66/1123444266.db2.gz PKLMANGTQIVFNM-LQDVMPOASA-N 0 1 282.387 3.703 20 10 CHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@](C)(F)C2)c1 ZINC000840098893 1123460184 /nfs/dbraw/zinc/46/01/84/1123460184.db2.gz FJHANOXPUDDIBA-QGZVFWFLSA-N 0 1 295.398 3.719 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCCOC1 ZINC000895664132 1123503284 /nfs/dbraw/zinc/50/32/84/1123503284.db2.gz PWMSNOHNLNHQNW-SWLSCSKDSA-N 0 1 297.826 3.649 20 10 CHCDMN Cc1cccc(CN[C@@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000895693151 1123505498 /nfs/dbraw/zinc/50/54/98/1123505498.db2.gz YZTRBBDJPMDXRJ-DLBZAZTESA-N 0 1 285.362 3.816 20 10 CHCDMN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000776951622 1123612584 /nfs/dbraw/zinc/61/25/84/1123612584.db2.gz XRQKULFJMKHMPA-GJZGRUSLSA-N 0 1 297.826 3.729 20 10 CHCDMN C/C=C\C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000862550493 1123819395 /nfs/dbraw/zinc/81/93/95/1123819395.db2.gz MEJJDQYZMZVETL-VQTKUKTRSA-N 0 1 275.392 3.579 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000083551414 1129149726 /nfs/dbraw/zinc/14/97/26/1129149726.db2.gz PTQGOEVBKFMUSP-AWEZNQCLSA-N 0 1 287.790 3.693 20 10 CHCDMN Cc1cc(O)c(CN2CCO[C@@H]3CCC[C@@H]32)cc1C(C)C ZINC000863306659 1123859454 /nfs/dbraw/zinc/85/94/54/1123859454.db2.gz OBBIGZPRPXZTPB-FUHWJXTLSA-N 0 1 289.419 3.577 20 10 CHCDMN Cc1c(F)c(F)ccc1NCc1ccc(F)c(F)c1O ZINC000864041253 1123912468 /nfs/dbraw/zinc/91/24/68/1123912468.db2.gz RGUIHBBXYXORES-UHFFFAOYSA-N 0 1 285.240 3.869 20 10 CHCDMN CCOc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c(O)c1 ZINC000783593504 1124003504 /nfs/dbraw/zinc/00/35/04/1124003504.db2.gz VBBDMHKRGCMZIH-XKQJLSEDSA-N 0 1 289.419 3.801 20 10 CHCDMN Cc1ncc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000865702088 1124007200 /nfs/dbraw/zinc/00/72/00/1124007200.db2.gz USLDEFXGJXHYIJ-QMMMGPOBSA-N 0 1 282.796 3.661 20 10 CHCDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CS1 ZINC000840958946 1124041401 /nfs/dbraw/zinc/04/14/01/1124041401.db2.gz POTYWRHVJNRHKI-RISCZKNCSA-N 0 1 273.401 3.529 20 10 CHCDMN CCC[C@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000866414761 1124064369 /nfs/dbraw/zinc/06/43/69/1124064369.db2.gz KKPDLQKPWVHRRL-UKRRQHHQSA-N 0 1 287.403 3.747 20 10 CHCDMN CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000866635049 1124092914 /nfs/dbraw/zinc/09/29/14/1124092914.db2.gz MHYZCLYWMPPIED-GZBFAFLISA-N 0 1 287.403 3.746 20 10 CHCDMN Cc1ccc([C@H](C)NCc2ccc(N(C)C)cc2C)o1 ZINC000122797783 1124535597 /nfs/dbraw/zinc/53/55/97/1124535597.db2.gz JKLUKODVBIJVPI-AWEZNQCLSA-N 0 1 272.392 3.813 20 10 CHCDMN CC[C@@H](N[C@H](C)c1nccnc1C)c1ccc(N(C)C)cc1 ZINC000872135038 1124693566 /nfs/dbraw/zinc/69/35/66/1124693566.db2.gz UUKZYYPWJJBMEO-RHSMWYFYSA-N 0 1 298.434 3.653 20 10 CHCDMN CCCOc1ccc(CNCc2ccco2)cc1C ZINC000873007393 1124734508 /nfs/dbraw/zinc/73/45/08/1124734508.db2.gz OQKIOMGBGNTKIS-UHFFFAOYSA-N 0 1 259.349 3.667 20 10 CHCDMN CSCCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825768179 1124880014 /nfs/dbraw/zinc/88/00/14/1124880014.db2.gz CMDPVSXUEMQGTC-UHFFFAOYSA-N 0 1 273.829 3.539 20 10 CHCDMN CSCCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825768179 1124880020 /nfs/dbraw/zinc/88/00/20/1124880020.db2.gz CMDPVSXUEMQGTC-UHFFFAOYSA-N 0 1 273.829 3.539 20 10 CHCDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(Cl)ccc1[O-] ZINC000125731641 1124921454 /nfs/dbraw/zinc/92/14/54/1124921454.db2.gz PDVJGXSSWCGHPC-UHFFFAOYSA-N 0 1 297.185 3.726 20 10 CHCDMN CN(Cc1ccc(Cl)nc1)Cc1cc(Cl)ccc1O ZINC000125731641 1124921448 /nfs/dbraw/zinc/92/14/48/1124921448.db2.gz PDVJGXSSWCGHPC-UHFFFAOYSA-N 0 1 297.185 3.726 20 10 CHCDMN C[N@H+](Cc1ccc(Cl)nc1)Cc1cc(Cl)ccc1[O-] ZINC000125731641 1124921452 /nfs/dbraw/zinc/92/14/52/1124921452.db2.gz PDVJGXSSWCGHPC-UHFFFAOYSA-N 0 1 297.185 3.726 20 10 CHCDMN Cc1ccc(CNCc2nc(C(C)(C)C)cs2)c(O)c1 ZINC000877017282 1124998348 /nfs/dbraw/zinc/99/83/48/1124998348.db2.gz GGYOHFICBZMDDI-UHFFFAOYSA-N 0 1 290.432 3.744 20 10 CHCDMN COCCC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000529638306 1125023903 /nfs/dbraw/zinc/02/39/03/1125023903.db2.gz PIWSUSLMQMBVTK-UHFFFAOYSA-N 0 1 299.414 3.794 20 10 CHCDMN CS[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000877700764 1125064699 /nfs/dbraw/zinc/06/46/99/1125064699.db2.gz VHZCDXRUPHTXJV-HDJSIYSDSA-N 0 1 273.401 3.529 20 10 CHCDMN Oc1c(C[N@H+]2CC[C@H]3CSC[C@H]3C2)ccc2ccccc21 ZINC000877736840 1125070527 /nfs/dbraw/zinc/07/05/27/1125070527.db2.gz DMMCXCNUEVCIHF-JKSUJKDBSA-N 0 1 299.439 3.730 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)ccc2ccccc21 ZINC000877736840 1125070534 /nfs/dbraw/zinc/07/05/34/1125070534.db2.gz DMMCXCNUEVCIHF-JKSUJKDBSA-N 0 1 299.439 3.730 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@H]3CSC[C@H]3C2)ccc2ccccc21 ZINC000877736840 1125070539 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CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816480987 1131098883 /nfs/dbraw/zinc/09/88/83/1131098883.db2.gz DIEQCCLEXRYXLF-CJNGLKHVSA-N 0 1 285.387 3.545 20 10 CHCDMN CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816480987 1131098889 /nfs/dbraw/zinc/09/88/89/1131098889.db2.gz DIEQCCLEXRYXLF-CJNGLKHVSA-N 0 1 285.387 3.545 20 10 CHCDMN C[C@@H]1C[NH+](Cc2ccc3ccccc3c2[O-])C[C@@H](C)S1 ZINC000816497609 1131101968 /nfs/dbraw/zinc/10/19/68/1131101968.db2.gz KFCHVGUVCKELTR-CHWSQXEVSA-N 0 1 287.428 3.871 20 10 CHCDMN C[N@@H+](CCc1cccs1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816515731 1131103039 /nfs/dbraw/zinc/10/30/39/1131103039.db2.gz IYPCCZOVRLTHQJ-UHFFFAOYSA-N 0 1 299.798 3.921 20 10 CHCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])CC1CC1 ZINC000816510315 1131103601 /nfs/dbraw/zinc/10/36/01/1131103601.db2.gz RRIOCUFTHHYLRV-UHFFFAOYSA-N 0 1 255.361 3.777 20 10 CHCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])CC1CC1 ZINC000816510315 1131103606 /nfs/dbraw/zinc/10/36/06/1131103606.db2.gz RRIOCUFTHHYLRV-UHFFFAOYSA-N 0 1 255.361 3.777 20 10 CHCDMN CO[C@H](C)C[N@@H+](Cc1ccc2ccccc2c1O)C(C)C ZINC000816515150 1131103940 /nfs/dbraw/zinc/10/39/40/1131103940.db2.gz QTPQMIXYMFUMNW-CQSZACIVSA-N 0 1 287.403 3.791 20 10 CHCDMN CO[C@H](C)C[N@H+](Cc1ccc2ccccc2c1[O-])C(C)C ZINC000816515150 1131103945 /nfs/dbraw/zinc/10/39/45/1131103945.db2.gz QTPQMIXYMFUMNW-CQSZACIVSA-N 0 1 287.403 3.791 20 10 CHCDMN CO[C@H](C)C[N@@H+](Cc1ccc2ccccc2c1[O-])C(C)C ZINC000816515150 1131103949 /nfs/dbraw/zinc/10/39/49/1131103949.db2.gz QTPQMIXYMFUMNW-CQSZACIVSA-N 0 1 287.403 3.791 20 10 CHCDMN [O-]c1c(C[NH2+]C2CCSCC2)ccc2ccccc21 ZINC000816548656 1131106790 /nfs/dbraw/zinc/10/67/90/1131106790.db2.gz OFLKAPXJOGYPPQ-UHFFFAOYSA-N 0 1 273.401 3.531 20 10 CHCDMN [O-]c1c(C[NH2+]Cc2ccccc2O)ccc2ccccc21 ZINC000816545627 1131107200 /nfs/dbraw/zinc/10/72/00/1131107200.db2.gz YMTRCUGGCVTELY-UHFFFAOYSA-N 0 1 279.339 3.541 20 10 CHCDMN CCN1CCCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816550223 1131107312 /nfs/dbraw/zinc/10/73/12/1131107312.db2.gz LOMFMCCSAPTWHS-QGZVFWFLSA-N 0 1 298.430 3.509 20 10 CHCDMN [O-]c1c(C[NH2+]CCc2ccccc2)ccc2ccccc21 ZINC000816529078 1131108483 /nfs/dbraw/zinc/10/84/83/1131108483.db2.gz FVSXMHQXVMXZDC-UHFFFAOYSA-N 0 1 277.367 3.878 20 10 CHCDMN CC1(C)C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816558526 1131110899 /nfs/dbraw/zinc/11/08/99/1131110899.db2.gz BYWGZTYOSSGZRB-OAHLLOKOSA-N 0 1 285.387 3.593 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1F ZINC000816565053 1131111156 /nfs/dbraw/zinc/11/11/56/1131111156.db2.gz ZQNRBKWTCXKFAG-MLGOLLRUSA-N 0 1 273.351 3.725 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1F ZINC000816565053 1131111160 /nfs/dbraw/zinc/11/11/60/1131111160.db2.gz ZQNRBKWTCXKFAG-MLGOLLRUSA-N 0 1 273.351 3.725 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1F ZINC000816565054 1131111757 /nfs/dbraw/zinc/11/17/57/1131111757.db2.gz ZQNRBKWTCXKFAG-WBMJQRKESA-N 0 1 273.351 3.725 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1F ZINC000816565054 1131111758 /nfs/dbraw/zinc/11/17/58/1131111758.db2.gz ZQNRBKWTCXKFAG-WBMJQRKESA-N 0 1 273.351 3.725 20 10 CHCDMN C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816567897 1131113267 /nfs/dbraw/zinc/11/32/67/1131113267.db2.gz OYRHTGDIEDLCFY-CABCVRRESA-N 0 1 299.414 3.840 20 10 CHCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1nccs1 ZINC000816569469 1131113368 /nfs/dbraw/zinc/11/33/68/1131113368.db2.gz MYFPQDYLKXKHBB-GFCCVEGCSA-N 0 1 298.411 3.895 20 10 CHCDMN CC1=CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816598407 1131114953 /nfs/dbraw/zinc/11/49/53/1131114953.db2.gz AOWXGHYDUPYULL-UHFFFAOYSA-N 0 1 253.345 3.697 20 10 CHCDMN CC1=CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816598407 1131114959 /nfs/dbraw/zinc/11/49/59/1131114959.db2.gz AOWXGHYDUPYULL-UHFFFAOYSA-N 0 1 253.345 3.697 20 10 CHCDMN Oc1cc(F)c(Cl)cc1CN1CCCC[C@H]1C(F)F ZINC000816600235 1131115094 /nfs/dbraw/zinc/11/50/94/1131115094.db2.gz PRQHIJCTYULOOJ-NSHDSACASA-N 0 1 293.716 3.804 20 10 CHCDMN CCC[C@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816613158 1131115789 /nfs/dbraw/zinc/11/57/89/1131115789.db2.gz LAJRTPFIPCDPLG-IBGZPJMESA-N 0 1 299.414 3.530 20 10 CHCDMN CCC[C@]1(CO)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816613158 1131115794 /nfs/dbraw/zinc/11/57/94/1131115794.db2.gz LAJRTPFIPCDPLG-IBGZPJMESA-N 0 1 299.414 3.530 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC2CCC1CC2 ZINC001237622519 1131118883 /nfs/dbraw/zinc/11/88/83/1131118883.db2.gz UEYAUUZZKPGSFV-UHFFFAOYSA-N 0 1 269.747 3.559 20 10 CHCDMN CC[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237619731 1131119249 /nfs/dbraw/zinc/11/92/49/1131119249.db2.gz CQXLWTBWKCEFGZ-UHFFFAOYSA-N 0 1 294.757 3.602 20 10 CHCDMN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1O ZINC001237680450 1131126933 /nfs/dbraw/zinc/12/69/33/1131126933.db2.gz SHSXDIZWBBZBBM-TXEJJXNPSA-N 0 1 265.784 3.586 20 10 CHCDMN C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C1CCCC1 ZINC001237798566 1131140414 /nfs/dbraw/zinc/14/04/14/1131140414.db2.gz JDBHDKRCXPTASN-UHFFFAOYSA-N 0 1 257.736 3.559 20 10 CHCDMN C[N@@H+](Cc1ccsc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237798692 1131140608 /nfs/dbraw/zinc/14/06/08/1131140608.db2.gz LFEVEORTGWGMPF-UHFFFAOYSA-N 0 1 285.771 3.878 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001237798461 1131141554 /nfs/dbraw/zinc/14/15/54/1131141554.db2.gz GFZOFIXIIAYKBI-HZMBPMFUSA-N 0 1 283.774 3.949 20 10 CHCDMN C[C@@]1(F)CCCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804844 1131141981 /nfs/dbraw/zinc/14/19/81/1131141981.db2.gz HGPOKFAOXGOPDK-CQSZACIVSA-N 0 1 289.753 3.899 20 10 CHCDMN Cc1cccc2c1CN(Cc1cc(F)cc(C)c1O)C2 ZINC001238058414 1131165395 /nfs/dbraw/zinc/16/53/95/1131165395.db2.gz RTIMNIDCQPHNEY-UHFFFAOYSA-N 0 1 271.335 3.664 20 10 CHCDMN Cc1cc(F)cc(CN2CCc3c(F)cccc3C2)c1O ZINC001238065764 1131166429 /nfs/dbraw/zinc/16/64/29/1131166429.db2.gz AOOXBSDJJBNJQK-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccncc1Cl ZINC000817576725 1131171649 /nfs/dbraw/zinc/17/16/49/1131171649.db2.gz VRVGVPZWAUKLFO-LBPRGKRZSA-N 0 1 289.810 3.652 20 10 CHCDMN C[N@@H+](CCc1cccc(Cl)c1)Cc1c([O-])cccc1F ZINC001137839036 1131421656 /nfs/dbraw/zinc/42/16/56/1131421656.db2.gz OVNRYFPTGHWUMS-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN Cc1cccc(CC[N@H+](C)Cc2c([O-])cccc2F)c1 ZINC001137839237 1131421736 /nfs/dbraw/zinc/42/17/36/1131421736.db2.gz XUHXXZAGMCZQIB-UHFFFAOYSA-N 0 1 273.351 3.514 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)F ZINC000824509356 1131473590 /nfs/dbraw/zinc/47/35/90/1131473590.db2.gz LZSODJTVCBFMLE-SECBINFHSA-N 0 1 284.133 3.832 20 10 CHCDMN CC[C@@H](C)[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000824597662 1131476363 /nfs/dbraw/zinc/47/63/63/1131476363.db2.gz WEWVXVCKGXWSAG-DYVFJYSZSA-N 0 1 287.403 3.696 20 10 CHCDMN C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1O ZINC000824716149 1131480791 /nfs/dbraw/zinc/48/07/91/1131480791.db2.gz SHSSECGJKNTKDH-GXSJLCMTSA-N 0 1 291.288 3.694 20 10 CHCDMN C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1(Cl)Cl ZINC000824765127 1131482383 /nfs/dbraw/zinc/48/23/83/1131482383.db2.gz HULDGWOJILGNOY-NSHDSACASA-N 0 1 294.609 3.719 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOCC12CCCCC2 ZINC000825099304 1131495779 /nfs/dbraw/zinc/49/57/79/1131495779.db2.gz YGQFGZWYYYOUSY-UHFFFAOYSA-N 0 1 295.810 3.581 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCC(F)(F)F)cc1Cl ZINC000825310625 1131508468 /nfs/dbraw/zinc/50/84/68/1131508468.db2.gz ZNGGDFSTQRWDQM-UHFFFAOYSA-N 0 1 281.705 3.786 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1Cl ZINC000825497236 1131512911 /nfs/dbraw/zinc/51/29/11/1131512911.db2.gz DWGOMZGQGUYSCP-STQMWFEESA-N 0 1 297.826 3.649 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)c2nccs2)cc1Cl ZINC000825509948 1131514253 /nfs/dbraw/zinc/51/42/53/1131514253.db2.gz SRVAZSAYXJFCLN-JTQLQIEISA-N 0 1 296.823 3.704 20 10 CHCDMN CC[N@@H+](Cc1c(F)ccc(F)c1[O-])C1CCCCC1 ZINC001139679738 1131628146 /nfs/dbraw/zinc/62/81/46/1131628146.db2.gz VKKXITAYEFSCFA-UHFFFAOYSA-N 0 1 269.335 3.825 20 10 CHCDMN Cc1cc(O)c(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1C ZINC000846059178 1131680502 /nfs/dbraw/zinc/68/05/02/1131680502.db2.gz ZTVHHPIFZNMGHN-UHFFFAOYSA-N 0 1 291.778 3.658 20 10 CHCDMN C[C@@]1(CC[NH2+]Cc2c([O-])cccc2Cl)C[C@@]1(F)Cl ZINC000846040648 1131683267 /nfs/dbraw/zinc/68/32/67/1131683267.db2.gz XPPWBKNUBHGGIK-OLZOCXBDSA-N 0 1 292.181 3.840 20 10 CHCDMN CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CS1 ZINC000846054482 1131685150 /nfs/dbraw/zinc/68/51/50/1131685150.db2.gz BZEKFQFHSNGLNZ-GXTWGEPZSA-N 0 1 285.840 3.665 20 10 CHCDMN COC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCCC1 ZINC000834814082 1131707477 /nfs/dbraw/zinc/70/74/77/1131707477.db2.gz DUUMMAYORQTVCY-LLVKDONJSA-N 0 1 283.799 3.655 20 10 CHCDMN CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCO1 ZINC000834884622 1131717409 /nfs/dbraw/zinc/71/74/09/1131717409.db2.gz AAUOMQPHOTWHSC-OGHNNQOOSA-N 0 1 295.398 3.633 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140462205 1131748778 /nfs/dbraw/zinc/74/87/78/1131748778.db2.gz AKDOIHLNVAPKHL-NEPJUHHUSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140462205 1131748784 /nfs/dbraw/zinc/74/87/84/1131748784.db2.gz AKDOIHLNVAPKHL-NEPJUHHUSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCc2ccccc2CC1 ZINC001140466380 1131752773 /nfs/dbraw/zinc/75/27/73/1131752773.db2.gz FECWTIHNFPXVBL-UHFFFAOYSA-N 0 1 287.790 3.646 20 10 CHCDMN Cc1ccc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c(O)c1 ZINC001140954032 1131971447 /nfs/dbraw/zinc/97/14/47/1131971447.db2.gz JQIPQLIDCWBFRB-MAUKXSAKSA-N 0 1 297.398 3.663 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C)c1[O-] ZINC000037322574 1132028990 /nfs/dbraw/zinc/02/89/90/1132028990.db2.gz VJVQQHMAHDJXAC-JTQLQIEISA-N 0 1 281.783 3.623 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C)c1[O-] ZINC000037322574 1132028998 /nfs/dbraw/zinc/02/89/98/1132028998.db2.gz VJVQQHMAHDJXAC-JTQLQIEISA-N 0 1 281.783 3.623 20 10 CHCDMN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000839147494 1132184919 /nfs/dbraw/zinc/18/49/19/1132184919.db2.gz KNFIEPCYKPOKHY-IYBDPMFKSA-N 0 1 285.387 3.591 20 10 CHCDMN CCCC[N@@H+](CCc1cncs1)Cc1ccccc1O ZINC000839593961 1132225242 /nfs/dbraw/zinc/22/52/42/1132225242.db2.gz NMNPVUGNNBURFC-UHFFFAOYSA-N 0 1 290.432 3.694 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cnc(C)o1)c1cc(Cl)ccc1[O-] ZINC000840795150 1132287674 /nfs/dbraw/zinc/28/76/74/1132287674.db2.gz USRHWIVKONDFSX-CYBMUJFWSA-N 0 1 280.755 3.583 20 10 CHCDMN CCC1(O)CCC([NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840908827 1132307290 /nfs/dbraw/zinc/30/72/90/1132307290.db2.gz YKCWVPBWGKQNBQ-UHFFFAOYSA-N 0 1 297.826 3.527 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)c2nccs2)c(Cl)c1 ZINC000840938922 1132309426 /nfs/dbraw/zinc/30/94/26/1132309426.db2.gz IMMJKKKAWLGGPX-JTQLQIEISA-N 0 1 296.823 3.704 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCC[C@@H]2CCCCO2)c(Cl)c1 ZINC000840938722 1132310261 /nfs/dbraw/zinc/31/02/61/1132310261.db2.gz FYANWLFNRPBFJI-ZDUSSCGKSA-N 0 1 297.826 3.793 20 10 CHCDMN COCC(C)(C)CCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840945330 1132312214 /nfs/dbraw/zinc/31/22/14/1132312214.db2.gz JJRQBIHJNSLAOX-UHFFFAOYSA-N 0 1 299.842 3.896 20 10 CHCDMN COCC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231588120 1132317811 /nfs/dbraw/zinc/31/78/11/1132317811.db2.gz IQJCLAKTGSTGEW-MRXNPFEDSA-N 0 1 299.414 3.936 20 10 CHCDMN COCC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231588120 1132317820 /nfs/dbraw/zinc/31/78/20/1132317820.db2.gz IQJCLAKTGSTGEW-MRXNPFEDSA-N 0 1 299.414 3.936 20 10 CHCDMN Cc1cc(C)c(CN2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001231843359 1132375719 /nfs/dbraw/zinc/37/57/19/1132375719.db2.gz WTBVHAVZCHMFMN-AWEZNQCLSA-N 0 1 287.325 3.578 20 10 CHCDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001231870934 1132383062 /nfs/dbraw/zinc/38/30/62/1132383062.db2.gz WOBUVZUACIRTFA-HNNXBMFYSA-N 0 1 297.826 3.743 20 10 CHCDMN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001231870934 1132383054 /nfs/dbraw/zinc/38/30/54/1132383054.db2.gz WOBUVZUACIRTFA-HNNXBMFYSA-N 0 1 297.826 3.743 20 10 CHCDMN Cc1cc(O)c(CN2C[C@@H](C)C[C@H]2CF)cc1Cl ZINC001231867957 1132383296 /nfs/dbraw/zinc/38/32/96/1132383296.db2.gz OKVIBLVHKMLYTP-CABZTGNLSA-N 0 1 271.763 3.534 20 10 CHCDMN Cc1ncc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841747001 1132389068 /nfs/dbraw/zinc/38/90/68/1132389068.db2.gz MPYWLFHWVWMELM-QMMMGPOBSA-N 0 1 282.796 3.661 20 10 CHCDMN Cc1nc(CN[C@H](C)c2ccc(Cl)cc2O)cs1 ZINC000841746086 1132389271 /nfs/dbraw/zinc/38/92/71/1132389271.db2.gz VLPYERKGVDEMDD-MRVPVSSYSA-N 0 1 282.796 3.661 20 10 CHCDMN Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841748528 1132389716 /nfs/dbraw/zinc/38/97/16/1132389716.db2.gz ALQBZWBOZCZLKP-MRVPVSSYSA-N 0 1 296.823 3.970 20 10 CHCDMN C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1nccs1 ZINC000841751602 1132389859 /nfs/dbraw/zinc/38/98/59/1132389859.db2.gz IFJHOUFAEYDTQL-UWVGGRQHSA-N 0 1 296.823 3.956 20 10 CHCDMN 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C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000528003895 330300327 /nfs/dbraw/zinc/30/03/27/330300327.db2.gz PBUSEUASCXHYLF-AOVQSLKQSA-N 0 1 283.799 3.508 20 10 CHCDMN CCN(C)c1ccc([C@H](C)NCc2occc2C)cc1 ZINC000293694302 520289782 /nfs/dbraw/zinc/28/97/82/520289782.db2.gz NYIGJANEQUZDPO-AWEZNQCLSA-N 0 1 272.392 3.895 20 10 CHCDMN CCN(CC)c1ccc(CNCc2ccco2)cc1F ZINC000066906407 520908018 /nfs/dbraw/zinc/90/80/18/520908018.db2.gz PGXFCEHCPORUBI-UHFFFAOYSA-N 0 1 276.355 3.555 20 10 CHCDMN CCc1nc(C)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000291910815 522206596 /nfs/dbraw/zinc/20/65/96/522206596.db2.gz MUFVZHAWZXWDGA-VIFPVBQESA-N 0 1 294.782 3.755 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCSC1 ZINC000130564510 523172787 /nfs/dbraw/zinc/17/27/87/523172787.db2.gz VFSMZJSILNFZPJ-JTQLQIEISA-N 0 1 292.231 3.636 20 10 CHCDMN C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc2ccccc2c1[O-] ZINC000277018995 525394527 /nfs/dbraw/zinc/39/45/27/525394527.db2.gz CXWUDLHASLGBOO-SNVBAGLBSA-N 0 1 277.314 3.994 20 10 CHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000037260260 525526614 /nfs/dbraw/zinc/52/66/14/525526614.db2.gz DFPUUASHODMLOD-CQSZACIVSA-N 0 1 270.376 3.731 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCc2ccccc21 ZINC000083551630 526365937 /nfs/dbraw/zinc/36/59/37/526365937.db2.gz URTDFRUKSAIXHN-HNNXBMFYSA-N 0 1 273.763 3.823 20 10 CHCDMN C[C@H]1CCCCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000211443540 1118047834 /nfs/dbraw/zinc/04/78/34/1118047834.db2.gz UBYWENFTWGWBIV-NSHDSACASA-N 0 1 253.773 3.810 20 10 CHCDMN C[C@H]1CCCCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000211443540 1118047838 /nfs/dbraw/zinc/04/78/38/1118047838.db2.gz UBYWENFTWGWBIV-NSHDSACASA-N 0 1 253.773 3.810 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001203650913 1122415205 /nfs/dbraw/zinc/41/52/05/1122415205.db2.gz GEFWCXJNLALZRC-VXGBXAGGSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001203650913 1122415210 /nfs/dbraw/zinc/41/52/10/1122415210.db2.gz GEFWCXJNLALZRC-VXGBXAGGSA-N 0 1 265.784 3.668 20 10 CHCDMN CC(C)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737845 1122931239 /nfs/dbraw/zinc/93/12/39/1122931239.db2.gz UEKVOTSUZCWHIC-JTQLQIEISA-N 0 1 271.763 3.663 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000850480746 1123273442 /nfs/dbraw/zinc/27/34/42/1123273442.db2.gz DDFARENKMXIHQD-YPMHNXCESA-N 0 1 296.842 3.569 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000839179276 1132188775 /nfs/dbraw/zinc/18/87/75/1132188775.db2.gz IRVXFUQZFFJJPH-UHFFFAOYSA-N 0 1 289.753 3.959 20 10 CHCDMN C[C@]1(CF)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452115 1132624388 /nfs/dbraw/zinc/62/43/88/1132624388.db2.gz LHAYMWZNSIWSLC-CYBMUJFWSA-N 0 1 291.288 3.593 20 10 CHCDMN C[C@]1(CF)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452115 1132624392 /nfs/dbraw/zinc/62/43/92/1132624392.db2.gz LHAYMWZNSIWSLC-CYBMUJFWSA-N 0 1 291.288 3.593 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC2CCC(CC2)C1 ZINC001203664818 1133351011 /nfs/dbraw/zinc/35/10/11/1133351011.db2.gz XEUSISFKEOSXSQ-UHFFFAOYSA-N 0 1 265.784 3.668 20 10 CHCDMN CC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134907022 1125569930 /nfs/dbraw/zinc/56/99/30/1125569930.db2.gz LNKNZSJWWUEJPU-DTWKUNHWSA-N 0 1 272.186 3.604 20 10 CHCDMN CCCc1ncc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841753372 1125583368 /nfs/dbraw/zinc/58/33/68/1125583368.db2.gz HHUOOUVXSGXCRJ-JTQLQIEISA-N 0 1 294.782 3.837 20 10 CHCDMN C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc2ccccc2c1[O-] ZINC000284287187 1125691363 /nfs/dbraw/zinc/69/13/63/1125691363.db2.gz HXQGEJGHMHSROS-CYBMUJFWSA-N 0 1 285.387 3.501 20 10 CHCDMN CC1=C(C)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000796016697 1129463799 /nfs/dbraw/zinc/46/37/99/1129463799.db2.gz BIPFGPJENJPAEG-UHFFFAOYSA-N 0 1 269.747 3.727 20 10 CHCDMN CCOc1ccc(C[N@H+](CC)C[C@H](C)CC)c([O-])c1 ZINC000769538789 1129916652 /nfs/dbraw/zinc/91/66/52/1129916652.db2.gz WPKNUUHLVMENBR-CYBMUJFWSA-N 0 1 265.397 3.659 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC)C[C@H](C)CC)c([O-])c1 ZINC000769538789 1129916654 /nfs/dbraw/zinc/91/66/54/1129916654.db2.gz WPKNUUHLVMENBR-CYBMUJFWSA-N 0 1 265.397 3.659 20 10 CHCDMN CCOC(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000188686570 1126925497 /nfs/dbraw/zinc/92/54/97/1126925497.db2.gz NFONEUHNJJMOBV-SNVBAGLBSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000815651268 1131017946 /nfs/dbraw/zinc/01/79/46/1131017946.db2.gz OVSYPNZUPXOXHW-HIFRSBDPSA-N 0 1 283.799 3.511 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CC2(C1)CCCCC2 ZINC001237127584 1131053992 /nfs/dbraw/zinc/05/39/92/1131053992.db2.gz DGKURNBQIHQLAG-UHFFFAOYSA-N 0 1 283.774 3.951 20 10 CHCDMN Cc1cc([C@@H](C)NCc2ccc3c(c2)CCO3)c(C)o1 ZINC000044729991 1127159113 /nfs/dbraw/zinc/15/91/13/1127159113.db2.gz ANKSIFLCQQAFFZ-GFCCVEGCSA-N 0 1 271.360 3.682 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C2(CC2)C1 ZINC001237623273 1131118230 /nfs/dbraw/zinc/11/82/30/1131118230.db2.gz KSWZLODHSBVGFI-VIFPVBQESA-N 0 1 269.747 3.559 20 10 CHCDMN CCOc1cccc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)c1O ZINC000156980328 1127201682 /nfs/dbraw/zinc/20/16/82/1127201682.db2.gz QAZMUKDGLJEXDO-ZDUSSCGKSA-N 0 1 277.408 3.800 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000287045596 1127283788 /nfs/dbraw/zinc/28/37/88/1127283788.db2.gz MOIVBBDHGDMGQQ-WDEREUQCSA-N 0 1 285.840 3.839 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000287045585 1127283962 /nfs/dbraw/zinc/28/39/62/1127283962.db2.gz MOIVBBDHGDMGQQ-GHMZBOCLSA-N 0 1 285.840 3.839 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000287373503 1127302208 /nfs/dbraw/zinc/30/22/08/1127302208.db2.gz HYDATGNFFWOVES-YCPHGPKFSA-N 0 1 299.414 3.869 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1cccc(Cl)c1[O-] ZINC000761225790 1127549885 /nfs/dbraw/zinc/54/98/85/1127549885.db2.gz IHBQRWSPSYKCME-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN CN(Cc1nc2ccccc2s1)Cc1ccccc1O ZINC000171925916 1127734311 /nfs/dbraw/zinc/73/43/11/1127734311.db2.gz TXTRAZXVELBMKQ-UHFFFAOYSA-N 0 1 284.384 3.634 20 10 CHCDMN CCC[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134898711 1128048038 /nfs/dbraw/zinc/04/80/38/1128048038.db2.gz YCDXDKQIPCMSDG-VHSXEESVSA-N 0 1 286.213 3.994 20 10 CHCDMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000914785245 1128244415 /nfs/dbraw/zinc/24/44/15/1128244415.db2.gz VPPCSRGCGZZAQF-DZGCQCFKSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@H]1CCC[C@@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000914785245 1128244419 /nfs/dbraw/zinc/24/44/19/1128244419.db2.gz VPPCSRGCGZZAQF-DZGCQCFKSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000914785245 1128244423 /nfs/dbraw/zinc/24/44/23/1128244423.db2.gz VPPCSRGCGZZAQF-DZGCQCFKSA-N 0 1 284.403 3.951 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000762650714 1128312944 /nfs/dbraw/zinc/31/29/44/1128312944.db2.gz RJKYXXXICACUCT-BPNCWPANSA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000762650720 1128313231 /nfs/dbraw/zinc/31/32/31/1128313231.db2.gz RJKYXXXICACUCT-LEWSCRJBSA-N 0 1 283.799 3.511 20 10 CHCDMN Cc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000112016827 1128442890 /nfs/dbraw/zinc/44/28/90/1128442890.db2.gz HVMIKSRWGSVGDA-UHFFFAOYSA-N 0 1 275.779 3.686 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cc(Cl)ccc1[O-] ZINC000779089656 1128726632 /nfs/dbraw/zinc/72/66/32/1128726632.db2.gz VDXZVYGFVZWRIV-TUKIKUTGSA-N 0 1 297.826 3.637 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1F ZINC000779148032 1128751191 /nfs/dbraw/zinc/75/11/91/1128751191.db2.gz FKQAWCYFRPJBAE-PELKAZGASA-N 0 1 292.181 3.879 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1F ZINC000779148032 1128751193 /nfs/dbraw/zinc/75/11/93/1128751193.db2.gz FKQAWCYFRPJBAE-PELKAZGASA-N 0 1 292.181 3.879 20 10 CHCDMN COCCC1(C[NH2+]Cc2cc(F)ccc2[O-])CCCCC1 ZINC000187697334 1128756700 /nfs/dbraw/zinc/75/67/00/1128756700.db2.gz NADZQOCXPXRZOX-UHFFFAOYSA-N 0 1 295.398 3.608 20 10 CHCDMN C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552194 1118168418 /nfs/dbraw/zinc/16/84/18/1118168418.db2.gz XDXZQYVVDZSAKX-VXGBXAGGSA-N 0 1 267.800 3.962 20 10 CHCDMN C[C@@H](c1ccccc1F)N(C)Cc1cc(F)ccc1O ZINC000179923900 1128767613 /nfs/dbraw/zinc/76/76/13/1128767613.db2.gz PMDIKLARWABSRG-NSHDSACASA-N 0 1 277.314 3.863 20 10 CHCDMN CCC1(CC)C[NH+](Cc2ccc(Cl)cc2[O-])C1 ZINC001659403167 1118480178 /nfs/dbraw/zinc/48/01/78/1118480178.db2.gz ADDVZNVERRKUOG-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN CCOc1ccc(O)c(CN(C)Cc2ccccc2F)c1 ZINC000160730841 1118532963 /nfs/dbraw/zinc/53/29/63/1118532963.db2.gz NTWQYYHLQHIBCJ-UHFFFAOYSA-N 0 1 289.350 3.562 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)CCCCO)c1cc(Cl)ccc1[O-] ZINC000834877173 1118605620 /nfs/dbraw/zinc/60/56/20/1118605620.db2.gz HCQUJFHAHJZINH-SMDDNHRTSA-N 0 1 285.815 3.637 20 10 CHCDMN C[C@@H]1[C@H](C)C[N@H+](Cc2c([O-])cccc2Br)[C@H]1C ZINC000707138836 1118642794 /nfs/dbraw/zinc/64/27/94/1118642794.db2.gz IDDACCIGBWYJTL-MXWKQRLJSA-N 0 1 298.224 3.631 20 10 CHCDMN C[C@@H]1[C@H](C)C[N@@H+](Cc2c([O-])cccc2Br)[C@H]1C ZINC000707138836 1118642796 /nfs/dbraw/zinc/64/27/96/1118642796.db2.gz IDDACCIGBWYJTL-MXWKQRLJSA-N 0 1 298.224 3.631 20 10 CHCDMN CC(C)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000780495423 1118712451 /nfs/dbraw/zinc/71/24/51/1118712451.db2.gz DTYNOFBEWKQLBQ-HNNXBMFYSA-N 0 1 284.403 3.808 20 10 CHCDMN CC(C)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000780495423 1118712454 /nfs/dbraw/zinc/71/24/54/1118712454.db2.gz DTYNOFBEWKQLBQ-HNNXBMFYSA-N 0 1 284.403 3.808 20 10 CHCDMN Cc1cccc(C[N@@H+](C)Cc2ccc(Cl)cc2[O-])c1 ZINC001140461388 1118719739 /nfs/dbraw/zinc/71/97/39/1118719739.db2.gz KLFAMZDTSUWOCR-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1cccc(C[N@H+](C)Cc2ccc(Cl)cc2[O-])c1 ZINC001140461388 1118719743 /nfs/dbraw/zinc/71/97/43/1118719743.db2.gz KLFAMZDTSUWOCR-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CC2(C1)CCCCC2 ZINC001140465685 1118742775 /nfs/dbraw/zinc/74/27/75/1118742775.db2.gz REYIUAXYCCYCTA-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN CC(C)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000307772400 1119361973 /nfs/dbraw/zinc/36/19/73/1119361973.db2.gz IEFFEDOYDVIRDK-GFCCVEGCSA-N 0 1 267.800 3.914 20 10 CHCDMN Cc1cnc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)s1 ZINC000230664064 1119413591 /nfs/dbraw/zinc/41/35/91/1119413591.db2.gz VEOXKQXTQDYYJK-ZYHUDNBSSA-N 0 1 288.416 3.804 20 10 CHCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708401469 1119437466 /nfs/dbraw/zinc/43/74/66/1119437466.db2.gz TWFVUBLVWHQVNF-LLVKDONJSA-N 0 1 269.335 3.538 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695095224 1120105330 /nfs/dbraw/zinc/10/53/30/1120105330.db2.gz FDIMKTNXBOTFRD-SECBINFHSA-N 0 1 275.726 3.713 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792148 1128891166 /nfs/dbraw/zinc/89/11/66/1128891166.db2.gz CHDJGYXIHZQHGK-VIFPVBQESA-N 0 1 274.191 3.931 20 10 CHCDMN CCC1([NH2+]Cc2cc(Cl)ccc2[O-])CCCC1 ZINC000394555351 1120149642 /nfs/dbraw/zinc/14/96/42/1120149642.db2.gz DUXGQKFJEUAPIX-UHFFFAOYSA-N 0 1 253.773 3.858 20 10 CHCDMN C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1cc(F)ccc1[O-] ZINC000695731137 1120415459 /nfs/dbraw/zinc/41/54/59/1120415459.db2.gz QVBZTRXTXTYGEP-LLVKDONJSA-N 0 1 263.356 3.905 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCCc2cccnc21 ZINC000922880128 1120617279 /nfs/dbraw/zinc/61/72/79/1120617279.db2.gz GAGKMHDGYGUTIU-AWEZNQCLSA-N 0 1 288.778 3.608 20 10 CHCDMN CCc1cnccc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000773425724 1121090596 /nfs/dbraw/zinc/09/05/96/1121090596.db2.gz BMDYHNXHBVIGAY-NSHDSACASA-N 0 1 290.794 3.854 20 10 CHCDMN C[C@H](NCc1ccc(Cl)o1)c1cc(F)ccc1O ZINC000700570089 1121107876 /nfs/dbraw/zinc/10/78/76/1121107876.db2.gz VCXNPKBDAIDAME-QMMMGPOBSA-N 0 1 269.703 3.629 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Br)C1CCCC1 ZINC000707134825 1121450600 /nfs/dbraw/zinc/45/06/00/1121450600.db2.gz KPZUFJHDBLVMOX-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Br)C1CCCC1 ZINC000707134825 1121450604 /nfs/dbraw/zinc/45/06/04/1121450604.db2.gz KPZUFJHDBLVMOX-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN Cc1ccc(CN(C)Cc2ccccc2O)c(Cl)c1 ZINC000773770035 1121815828 /nfs/dbraw/zinc/81/58/28/1121815828.db2.gz BYIWNYIRDIWBHJ-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN CCC(O)(CC)C(C)(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC001179135105 1121852478 /nfs/dbraw/zinc/85/24/78/1121852478.db2.gz DVWHQAGYHPYPRE-UHFFFAOYSA-N 0 1 299.842 3.713 20 10 CHCDMN CC[N@@H+](Cc1ccccc1F)Cc1ccc(F)c(F)c1[O-] ZINC001179914344 1121930765 /nfs/dbraw/zinc/93/07/65/1121930765.db2.gz UTLPKIUJUDPQLF-UHFFFAOYSA-N 0 1 295.304 3.832 20 10 CHCDMN COc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)cc1C ZINC000732820733 1121940502 /nfs/dbraw/zinc/94/05/02/1121940502.db2.gz NQKCPAHJKQSUFP-AWEZNQCLSA-N 0 1 287.407 3.632 20 10 CHCDMN CC[N@H+](CCC(F)(F)F)Cc1ccc(Cl)cc1[O-] ZINC001180064337 1121945963 /nfs/dbraw/zinc/94/59/63/1121945963.db2.gz DZYPDDOANJFPFE-UHFFFAOYSA-N 0 1 281.705 3.820 20 10 CHCDMN CC[N@@H+](CCC(F)(F)F)Cc1ccc(Cl)cc1[O-] ZINC001180064337 1121945968 /nfs/dbraw/zinc/94/59/68/1121945968.db2.gz DZYPDDOANJFPFE-UHFFFAOYSA-N 0 1 281.705 3.820 20 10 CHCDMN CC1(C)C[N@@H+](Cc2ccc(Cl)cc2O)[C@H]1C1CC1 ZINC001182183879 1122116805 /nfs/dbraw/zinc/11/68/05/1122116805.db2.gz KIROCDINYCGHDI-AWEZNQCLSA-N 0 1 265.784 3.666 20 10 CHCDMN CC1(C)C[N@H+](Cc2ccc(Cl)cc2[O-])[C@H]1C1CC1 ZINC001182183879 1122116806 /nfs/dbraw/zinc/11/68/06/1122116806.db2.gz KIROCDINYCGHDI-AWEZNQCLSA-N 0 1 265.784 3.666 20 10 CHCDMN CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[O-])[C@H]1C1CC1 ZINC001182183879 1122116810 /nfs/dbraw/zinc/11/68/10/1122116810.db2.gz KIROCDINYCGHDI-AWEZNQCLSA-N 0 1 265.784 3.666 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c(Cl)c1 ZINC001182453752 1122162892 /nfs/dbraw/zinc/16/28/92/1122162892.db2.gz VREIVDASYNLTSK-TUAOUCFPSA-N 0 1 267.800 3.830 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c(Cl)c1 ZINC001182453752 1122162893 /nfs/dbraw/zinc/16/28/93/1122162893.db2.gz VREIVDASYNLTSK-TUAOUCFPSA-N 0 1 267.800 3.830 20 10 CHCDMN Cc1csc(C2(N[C@@H](C)c3ccccc3O)CCC2)n1 ZINC000272793865 1122212705 /nfs/dbraw/zinc/21/27/05/1122212705.db2.gz AEVIZUYHDUTZFZ-LBPRGKRZSA-N 0 1 288.416 3.887 20 10 CHCDMN Cc1cnc([C@@H](C)C[NH2+]Cc2c([O-])cccc2Cl)s1 ZINC000273340434 1122228670 /nfs/dbraw/zinc/22/86/70/1122228670.db2.gz AGRMTRHYFCLFBV-VIFPVBQESA-N 0 1 296.823 3.704 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Cl)ccc1[O-] ZINC000775511861 1122633198 /nfs/dbraw/zinc/63/31/98/1122633198.db2.gz DOUDYVVVFQQAEA-UXIGCNINSA-N 0 1 297.826 3.637 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775514390 1122635714 /nfs/dbraw/zinc/63/57/14/1122635714.db2.gz USSYYNJNVLJBQC-ABAIWWIYSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cnn(CC)c1)c1cc(Cl)ccc1[O-] ZINC000775524428 1122642563 /nfs/dbraw/zinc/64/25/63/1122642563.db2.gz PZJCDCFSJNHCRG-CQSZACIVSA-N 0 1 293.798 3.503 20 10 CHCDMN CC(C)CCC[C@@H](C)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626218 1122702157 /nfs/dbraw/zinc/70/21/57/1122702157.db2.gz SJPIJDMAYORQQJ-SNVBAGLBSA-N 0 1 299.798 3.696 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000775628931 1122829284 /nfs/dbraw/zinc/82/92/84/1122829284.db2.gz BSCYVFBLUWFBEW-AWEZNQCLSA-N 0 1 294.757 3.850 20 10 CHCDMN C[N@@H+](Cc1cccs1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775642601 1122852567 /nfs/dbraw/zinc/85/25/67/1122852567.db2.gz MJYVCDITLHEWHS-UHFFFAOYSA-N 0 1 285.771 3.878 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000775650348 1122865525 /nfs/dbraw/zinc/86/55/25/1122865525.db2.gz AYABOOVARCXEQB-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000775662943 1122874085 /nfs/dbraw/zinc/87/40/85/1122874085.db2.gz XASOPRPBILTNHY-HZMBPMFUSA-N 0 1 283.774 3.949 20 10 CHCDMN Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001205728824 1122892632 /nfs/dbraw/zinc/89/26/32/1122892632.db2.gz MVUHYJJZVDXKBD-UHFFFAOYSA-N 0 1 294.782 3.675 20 10 CHCDMN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783027 1122906265 /nfs/dbraw/zinc/90/62/65/1122906265.db2.gz PHDXFLNEOGOGBY-HNNXBMFYSA-N 0 1 292.329 3.649 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000775708558 1122918191 /nfs/dbraw/zinc/91/81/91/1122918191.db2.gz MWTZACAJTZAKQI-UHFFFAOYSA-N 0 1 289.803 3.512 20 10 CHCDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1(C)C ZINC000775716631 1122920965 /nfs/dbraw/zinc/92/09/65/1122920965.db2.gz YPVJXDSHOKZLFD-UONOGXRCSA-N 0 1 297.826 3.681 20 10 CHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000268724440 1129099572 /nfs/dbraw/zinc/09/95/72/1129099572.db2.gz KCYKEZFEQVTELT-ZDUSSCGKSA-N 0 1 299.374 3.512 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCOC(C)(C)C)c(Cl)c1 ZINC000850368307 1123257251 /nfs/dbraw/zinc/25/72/51/1123257251.db2.gz BQCHXNAPZKDUJV-UHFFFAOYSA-N 0 1 285.815 3.649 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000850570192 1123294189 /nfs/dbraw/zinc/29/41/89/1123294189.db2.gz FPUZJCDLCCNTBQ-GHMZBOCLSA-N 0 1 283.799 3.511 20 10 CHCDMN CCCCN(Cc1nc(C)oc1C)Cc1ccccc1O ZINC000852018597 1123393073 /nfs/dbraw/zinc/39/30/73/1123393073.db2.gz NUXQZZHMEZHTRS-UHFFFAOYSA-N 0 1 288.391 3.799 20 10 CHCDMN Cc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858090452 1123629819 /nfs/dbraw/zinc/62/98/19/1123629819.db2.gz GYGZKBXNDPWUNU-UHFFFAOYSA-N 0 1 290.357 3.629 20 10 CHCDMN Cc1ccc(O)c(CNCc2c(F)cc(C)cc2F)c1 ZINC000858239349 1123639180 /nfs/dbraw/zinc/63/91/80/1123639180.db2.gz MOBOAHZYMARMPY-UHFFFAOYSA-N 0 1 277.314 3.577 20 10 CHCDMN C[C@H]1C[NH+](Cc2c([O-])cccc2Cl)C[C@H](C)C1(F)F ZINC000862444309 1123811470 /nfs/dbraw/zinc/81/14/70/1123811470.db2.gz VEGBPWOMORMMNN-UWVGGRQHSA-N 0 1 289.753 3.769 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC(F)(F)CC2)cc1Cl ZINC000862467100 1123813289 /nfs/dbraw/zinc/81/32/89/1123813289.db2.gz PGKMQKIIXZNXRS-UHFFFAOYSA-N 0 1 289.753 3.975 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCCC(F)(F)CC2)cc1Cl ZINC000862467100 1123813292 /nfs/dbraw/zinc/81/32/92/1123813292.db2.gz PGKMQKIIXZNXRS-UHFFFAOYSA-N 0 1 289.753 3.975 20 10 CHCDMN C[C@@H]([NH2+]CCC1(C)CC1)c1cc(Cl)ccc1[O-] ZINC000794829707 1123962195 /nfs/dbraw/zinc/96/21/95/1123962195.db2.gz WFMVBWDJLUGUPW-SNVBAGLBSA-N 0 1 253.773 3.886 20 10 CHCDMN C[C@@H]([NH2+]CCC1(C)CC1)c1cc(Br)ccc1[O-] ZINC000794826695 1123962510 /nfs/dbraw/zinc/96/25/10/1123962510.db2.gz CSNMAJVIJZDOFA-SNVBAGLBSA-N 0 1 298.224 3.996 20 10 CHCDMN CC[C@@H](NCc1cccnc1F)c1ccc(N(C)C)cc1 ZINC000794832708 1123969653 /nfs/dbraw/zinc/96/96/53/1123969653.db2.gz DBXXBPQJXPDEIA-MRXNPFEDSA-N 0 1 287.382 3.528 20 10 CHCDMN Cc1cnc([C@@H](C)NCc2ccc(N(C)C)cc2C)s1 ZINC000840935237 1124030977 /nfs/dbraw/zinc/03/09/77/1124030977.db2.gz JCUUWZXEZNXDBT-CYBMUJFWSA-N 0 1 289.448 3.677 20 10 CHCDMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000866477959 1124069838 /nfs/dbraw/zinc/06/98/38/1124069838.db2.gz HCPJHUMHJUFROC-JTQLQIEISA-N 0 1 265.740 3.798 20 10 CHCDMN Oc1cccc2c1[C@@H](N[C@H](CF)c1ccc(F)cc1)CC2 ZINC000866597087 1124086396 /nfs/dbraw/zinc/08/63/96/1124086396.db2.gz MRNZWNMWJSSEBG-LSDHHAIUSA-N 0 1 289.325 3.819 20 10 CHCDMN COC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(C)C ZINC000086683224 1129166497 /nfs/dbraw/zinc/16/64/97/1129166497.db2.gz AUHJOALZCLSJEZ-DYVFJYSZSA-N 0 1 287.403 3.867 20 10 CHCDMN Cc1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000021964434 1124107044 /nfs/dbraw/zinc/10/70/44/1124107044.db2.gz ZZWXJNQDJUFUGA-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000021964434 1124107045 /nfs/dbraw/zinc/10/70/45/1124107045.db2.gz ZZWXJNQDJUFUGA-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN CC[C@H](NCc1ncc(C)s1)c1ccc(N(C)C)cc1 ZINC000122940052 1124545816 /nfs/dbraw/zinc/54/58/16/1124545816.db2.gz OZJHGGIHTPASOR-HNNXBMFYSA-N 0 1 289.448 3.758 20 10 CHCDMN Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000872129719 1124690115 /nfs/dbraw/zinc/69/01/15/1124690115.db2.gz ATZPFKDZPBOQQJ-KOLCDFICSA-N 0 1 291.782 3.556 20 10 CHCDMN CCCOc1ccc(CN[C@@H](C)c2nccnc2C)cc1C ZINC000873186111 1124748330 /nfs/dbraw/zinc/74/83/30/1124748330.db2.gz FGYCENCQIRSFLO-HNNXBMFYSA-N 0 1 299.418 3.733 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000310780069 1124910937 /nfs/dbraw/zinc/91/09/37/1124910937.db2.gz FIHOWEZFWVXIMA-VXGBXAGGSA-N 0 1 265.784 3.668 20 10 CHCDMN CC(C)[N@@H+](Cc1ccco1)Cc1ccc(F)c(F)c1[O-] ZINC000876568265 1124962538 /nfs/dbraw/zinc/96/25/38/1124962538.db2.gz WNTVJBWQDJVBHN-UHFFFAOYSA-N 0 1 281.302 3.674 20 10 CHCDMN CSCc1cnc(CN[C@@H](C)c2ccccc2O)s1 ZINC000877758370 1125075184 /nfs/dbraw/zinc/07/51/84/1125075184.db2.gz WNBHDLILUBEIJS-JTQLQIEISA-N 0 1 294.445 3.563 20 10 CHCDMN C[C@H](c1ccco1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000131066359 1125372736 /nfs/dbraw/zinc/37/27/36/1125372736.db2.gz XPIHOVLKKGRNRC-GFCCVEGCSA-N 0 1 276.355 3.678 20 10 CHCDMN CO[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000293669342 1129179634 /nfs/dbraw/zinc/17/96/34/1129179634.db2.gz JHJVEAVNCJPFHE-SJCJKPOMSA-N 0 1 285.387 3.621 20 10 CHCDMN C[C@H]1CCCC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237934217 1129221768 /nfs/dbraw/zinc/22/17/68/1129221768.db2.gz JBJVKPNBHXDHCY-JTQLQIEISA-N 0 1 271.763 3.807 20 10 CHCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1F ZINC000037764535 1129266983 /nfs/dbraw/zinc/26/69/83/1129266983.db2.gz YNODWLQZNOTTTD-GFCCVEGCSA-N 0 1 271.335 3.611 20 10 CHCDMN COCCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000735493936 1129349220 /nfs/dbraw/zinc/34/92/20/1129349220.db2.gz TUROFVXAYPEWHR-UHFFFAOYSA-N 0 1 277.408 3.563 20 10 CHCDMN COCCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000735493936 1129349223 /nfs/dbraw/zinc/34/92/23/1129349223.db2.gz TUROFVXAYPEWHR-UHFFFAOYSA-N 0 1 277.408 3.563 20 10 CHCDMN CCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000093317123 1129421074 /nfs/dbraw/zinc/42/10/74/1129421074.db2.gz ZCNMYJDDLKDVRX-OAHLLOKOSA-N 0 1 297.826 3.827 20 10 CHCDMN CCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000093317123 1129421075 /nfs/dbraw/zinc/42/10/75/1129421075.db2.gz ZCNMYJDDLKDVRX-OAHLLOKOSA-N 0 1 297.826 3.827 20 10 CHCDMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2O)C1 ZINC000093868832 1129428493 /nfs/dbraw/zinc/42/84/93/1129428493.db2.gz YRIXGWKYTNNNDG-KGLIPLIRSA-N 0 1 295.448 3.507 20 10 CHCDMN C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc2ccccc2c1[O-] ZINC000094797010 1129452544 /nfs/dbraw/zinc/45/25/44/1129452544.db2.gz VAYKFYBWPBQYJI-ACJLOTCBSA-N 0 1 285.387 3.765 20 10 CHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C(C)(C)C ZINC000096610172 1129544738 /nfs/dbraw/zinc/54/47/38/1129544738.db2.gz RGZYDOGTWGTLDZ-JTQLQIEISA-N 0 1 255.789 3.817 20 10 CHCDMN CC1(C2([NH2+]Cc3ccc(Br)cc3[O-])CC2)CC1 ZINC000691418332 1129573672 /nfs/dbraw/zinc/57/36/72/1129573672.db2.gz ZTXISEZNFQIYIR-UHFFFAOYSA-N 0 1 296.208 3.577 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1C ZINC000252738231 1129592015 /nfs/dbraw/zinc/59/20/15/1129592015.db2.gz AADSSOBQWGMYGS-WDEREUQCSA-N 0 1 253.773 3.524 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000252738231 1129592018 /nfs/dbraw/zinc/59/20/18/1129592018.db2.gz AADSSOBQWGMYGS-WDEREUQCSA-N 0 1 253.773 3.524 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000252738231 1129592021 /nfs/dbraw/zinc/59/20/21/1129592021.db2.gz AADSSOBQWGMYGS-WDEREUQCSA-N 0 1 253.773 3.524 20 10 CHCDMN CC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC(F)(F)C1 ZINC000720976100 1129732035 /nfs/dbraw/zinc/73/20/35/1129732035.db2.gz BXCHHYLPPWZSMS-UHFFFAOYSA-N 0 1 275.726 3.571 20 10 CHCDMN Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cs1 ZINC000381122234 1129834522 /nfs/dbraw/zinc/83/45/22/1129834522.db2.gz FKDKZCVFLWADSZ-UHFFFAOYSA-N 0 1 267.781 3.705 20 10 CHCDMN C[N@H+](Cc1cccc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000768161297 1129837494 /nfs/dbraw/zinc/83/74/94/1129837494.db2.gz WPZXRHWBILQACM-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN C[N@@H+](Cc1cccc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000768161297 1129837499 /nfs/dbraw/zinc/83/74/99/1129837499.db2.gz WPZXRHWBILQACM-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000768360233 1129854059 /nfs/dbraw/zinc/85/40/59/1129854059.db2.gz LOCQPZMVKTXDCZ-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000768360233 1129854065 /nfs/dbraw/zinc/85/40/65/1129854065.db2.gz LOCQPZMVKTXDCZ-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Cl)C1Cc2ccccc2C1 ZINC000769033234 1129886228 /nfs/dbraw/zinc/88/62/28/1129886228.db2.gz JWNLELMQNWKQQD-UHFFFAOYSA-N 0 1 287.790 3.645 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C1Cc2ccccc2C1 ZINC000769033234 1129886232 /nfs/dbraw/zinc/88/62/32/1129886232.db2.gz JWNLELMQNWKQQD-UHFFFAOYSA-N 0 1 287.790 3.645 20 10 CHCDMN COc1cccc([O-])c1C[N@H+](CC1CC1)C1CCCCC1 ZINC000769307903 1129900988 /nfs/dbraw/zinc/90/09/88/1129900988.db2.gz LSNOQXXILYENPO-UHFFFAOYSA-N 0 1 289.419 3.946 20 10 CHCDMN COc1cccc([O-])c1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000769307903 1129900989 /nfs/dbraw/zinc/90/09/89/1129900989.db2.gz LSNOQXXILYENPO-UHFFFAOYSA-N 0 1 289.419 3.946 20 10 CHCDMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000384283162 1129905779 /nfs/dbraw/zinc/90/57/79/1129905779.db2.gz OTRASADWMMJYME-MFKMUULPSA-N 0 1 283.799 3.675 20 10 CHCDMN Oc1cccc(Cl)c1CN1CCOC2(CCCCC2)C1 ZINC000769492914 1129913094 /nfs/dbraw/zinc/91/30/94/1129913094.db2.gz OVQLAJHEHOSIAA-UHFFFAOYSA-N 0 1 295.810 3.581 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000769506161 1129913778 /nfs/dbraw/zinc/91/37/78/1129913778.db2.gz NIIBIIHDMLOSKI-MRXNPFEDSA-N 0 1 287.790 3.863 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000769506161 1129913781 /nfs/dbraw/zinc/91/37/81/1129913781.db2.gz NIIBIIHDMLOSKI-MRXNPFEDSA-N 0 1 287.790 3.863 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000769506159 1129914176 /nfs/dbraw/zinc/91/41/76/1129914176.db2.gz NIIBIIHDMLOSKI-INIZCTEOSA-N 0 1 287.790 3.863 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000769506159 1129914177 /nfs/dbraw/zinc/91/41/77/1129914177.db2.gz NIIBIIHDMLOSKI-INIZCTEOSA-N 0 1 287.790 3.863 20 10 CHCDMN CN(C)c1ccc(CN2CC[C@H]2c2ccccc2)cc1F ZINC000771939269 1129997230 /nfs/dbraw/zinc/99/72/30/1129997230.db2.gz PGZLXLTYUVFWND-KRWDZBQOSA-N 0 1 284.378 3.839 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCSC1 ZINC000802657634 1130026058 /nfs/dbraw/zinc/02/60/58/1130026058.db2.gz MAWGOZNVAWDFTJ-AWEZNQCLSA-N 0 1 279.449 3.747 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCSC1 ZINC000802657634 1130026064 /nfs/dbraw/zinc/02/60/64/1130026064.db2.gz MAWGOZNVAWDFTJ-AWEZNQCLSA-N 0 1 279.449 3.747 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCSC1 ZINC000802657634 1130026071 /nfs/dbraw/zinc/02/60/71/1130026071.db2.gz MAWGOZNVAWDFTJ-AWEZNQCLSA-N 0 1 279.449 3.747 20 10 CHCDMN C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cc(Cl)ccc1[O-] ZINC000903281444 1130145408 /nfs/dbraw/zinc/14/54/08/1130145408.db2.gz 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1130434717 /nfs/dbraw/zinc/43/47/17/1130434717.db2.gz WMCFNEMDLQIFIY-UHFFFAOYSA-N 0 1 294.757 3.520 20 10 CHCDMN Cc1cccc(CN2CCc3cc(Cl)ccc3C2)c1O ZINC000792179425 1130435879 /nfs/dbraw/zinc/43/58/79/1130435879.db2.gz GZMKKAGOAQFMKL-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN COCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000792192804 1130438214 /nfs/dbraw/zinc/43/82/14/1130438214.db2.gz NRWABFQIAKYHTC-TZMCWYRMSA-N 0 1 297.826 3.683 20 10 CHCDMN CC(C)(F)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000827189913 1130480696 /nfs/dbraw/zinc/48/06/96/1130480696.db2.gz OOAABZUDGALKAH-UHFFFAOYSA-N 0 1 261.340 3.773 20 10 CHCDMN CC/C=C(\C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000811529953 1130616755 /nfs/dbraw/zinc/61/67/55/1130616755.db2.gz RMPZQMVYOMTBDW-XBXARRHUSA-N 0 1 288.174 3.672 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513952 1130620074 /nfs/dbraw/zinc/62/00/74/1130620074.db2.gz XGMGHWILQBKLIS-OAHLLOKOSA-N 0 1 295.785 3.949 20 10 CHCDMN CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C(C)C ZINC001234518064 1130653378 /nfs/dbraw/zinc/65/33/78/1130653378.db2.gz BZVILMKDNLFPFN-UHFFFAOYSA-N 0 1 273.376 3.784 20 10 CHCDMN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C(C)C ZINC001234518064 1130653379 /nfs/dbraw/zinc/65/33/79/1130653379.db2.gz BZVILMKDNLFPFN-UHFFFAOYSA-N 0 1 273.376 3.784 20 10 CHCDMN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C(C)C ZINC001234518064 1130653383 /nfs/dbraw/zinc/65/33/83/1130653383.db2.gz BZVILMKDNLFPFN-UHFFFAOYSA-N 0 1 273.376 3.784 20 10 CHCDMN COc1ccc2c(c1)CCCN2Cc1[nH]nc2ccccc21 ZINC000780767824 1130690798 /nfs/dbraw/zinc/69/07/98/1130690798.db2.gz ZAOCTLGDAJSBTR-UHFFFAOYSA-N 0 1 293.370 3.524 20 10 CHCDMN CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000812735275 1130710371 /nfs/dbraw/zinc/71/03/71/1130710371.db2.gz ZFVPAQLPJGDAQP-ZBFHGGJFSA-N 0 1 297.826 3.901 20 10 CHCDMN Oc1ccc(Cl)cc1CN1CC(c2ccccc2F)C1 ZINC000812791611 1130714397 /nfs/dbraw/zinc/71/43/97/1130714397.db2.gz REZKDVQONPXRNI-UHFFFAOYSA-N 0 1 291.753 3.784 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(c2ccccc2F)C1 ZINC000812791611 1130714401 /nfs/dbraw/zinc/71/44/01/1130714401.db2.gz REZKDVQONPXRNI-UHFFFAOYSA-N 0 1 291.753 3.784 20 10 CHCDMN Oc1cccc2c1CN(Cc1cc3cccc(F)c3[nH]1)CC2 ZINC001235248543 1130728274 /nfs/dbraw/zinc/72/82/74/1130728274.db2.gz IPNBNQNOHXAZAK-UHFFFAOYSA-N 0 1 296.345 3.571 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000781902601 1130746462 /nfs/dbraw/zinc/74/64/62/1130746462.db2.gz RBCRTFSNFPDNRR-GFCCVEGCSA-N 0 1 298.224 3.838 20 10 CHCDMN CCC/C=C/C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684532 1130780404 /nfs/dbraw/zinc/78/04/04/1130780404.db2.gz RFIIQKXMDGHXJJ-SNAWJCMRSA-N 0 1 288.174 3.672 20 10 CHCDMN COC[C@H](C)C[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000783506576 1130831178 /nfs/dbraw/zinc/83/11/78/1130831178.db2.gz MNANPGDIIYUYTQ-OAHLLOKOSA-N 0 1 291.435 3.809 20 10 CHCDMN COC[C@H](C)C[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000783506576 1130831184 /nfs/dbraw/zinc/83/11/84/1130831184.db2.gz MNANPGDIIYUYTQ-OAHLLOKOSA-N 0 1 291.435 3.809 20 10 CHCDMN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2cscn2)c1 ZINC000697819210 1130863484 /nfs/dbraw/zinc/86/34/84/1130863484.db2.gz JQASNEUQQSTBMZ-QWRGUYRKSA-N 0 1 262.378 3.569 20 10 CHCDMN COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c([O-])c1Cl ZINC001236812464 1131011517 /nfs/dbraw/zinc/01/15/17/1131011517.db2.gz WRPOMOKCBXQISW-AAEUAGOBSA-N 0 1 295.810 3.819 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC[C@]1(C)O ZINC001236827169 1131015360 /nfs/dbraw/zinc/01/53/60/1131015360.db2.gz QNBNFGCQYMFBQR-LIRRHRJNSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCC[C@]1(C)O ZINC001236827169 1131015366 /nfs/dbraw/zinc/01/53/66/1131015366.db2.gz QNBNFGCQYMFBQR-LIRRHRJNSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCC[C@]1(C)O ZINC001236827169 1131015372 /nfs/dbraw/zinc/01/53/72/1131015372.db2.gz QNBNFGCQYMFBQR-LIRRHRJNSA-N 0 1 299.414 3.528 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cc3ccccc3cc2O)[C@](C)(CO)C1 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C[C@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078526 1131047235 /nfs/dbraw/zinc/04/72/35/1131047235.db2.gz UGTSRYSNWMMFJH-QMMMGPOBSA-N 0 1 260.164 3.683 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237115375 1131053256 /nfs/dbraw/zinc/05/32/56/1131053256.db2.gz SCJKSMPALLGNKS-SNVBAGLBSA-N 0 1 289.297 3.523 20 10 CHCDMN [O-]c1c(C[N@H+](C[C@H]2CCOC2)C2CC2)ccc2ccccc21 ZINC000816484595 1131099225 /nfs/dbraw/zinc/09/92/25/1131099225.db2.gz IMHYDIRMQSSTJT-CQSZACIVSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc2ccccc21 ZINC000816484595 1131099228 /nfs/dbraw/zinc/09/92/28/1131099228.db2.gz IMHYDIRMQSSTJT-CQSZACIVSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2C2CC2)ccc2ccccc21 ZINC000816503953 1131102130 /nfs/dbraw/zinc/10/21/30/1131102130.db2.gz SKZZADWOAXFEIA-QGZVFWFLSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2C2CC2)ccc2ccccc21 ZINC000816503953 1131102132 /nfs/dbraw/zinc/10/21/32/1131102132.db2.gz SKZZADWOAXFEIA-QGZVFWFLSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000816503867 1131102515 /nfs/dbraw/zinc/10/25/15/1131102515.db2.gz PTXYVFJUDXAIFE-ZDUSSCGKSA-N 0 1 269.747 3.559 20 10 CHCDMN CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816509205 1131103309 /nfs/dbraw/zinc/10/33/09/1131103309.db2.gz HLKXHVWANZJBCW-QGZVFWFLSA-N 0 1 299.414 3.792 20 10 CHCDMN CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816509205 1131103310 /nfs/dbraw/zinc/10/33/10/1131103310.db2.gz HLKXHVWANZJBCW-QGZVFWFLSA-N 0 1 299.414 3.792 20 10 CHCDMN CCOC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816512058 1131104454 /nfs/dbraw/zinc/10/44/54/1131104454.db2.gz WKJRZRKYGLADNZ-HNNXBMFYSA-N 0 1 299.414 3.794 20 10 CHCDMN CCOC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816512058 1131104457 /nfs/dbraw/zinc/10/44/57/1131104457.db2.gz WKJRZRKYGLADNZ-HNNXBMFYSA-N 0 1 299.414 3.794 20 10 CHCDMN COc1ccccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816529173 1131108938 /nfs/dbraw/zinc/10/89/38/1131108938.db2.gz JMFPLOURKJWSKB-UHFFFAOYSA-N 0 1 293.366 3.844 20 10 CHCDMN CSC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCC1 ZINC000816594040 1131110106 /nfs/dbraw/zinc/11/01/06/1131110106.db2.gz NBFFOTNFTQDDMQ-UHFFFAOYSA-N 0 1 287.428 3.921 20 10 CHCDMN [O-]c1c(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)ccc2ccccc21 ZINC000816570128 1131112813 /nfs/dbraw/zinc/11/28/13/1131112813.db2.gz JSWFFEBIFZIVDJ-AEFFLSMTSA-N 0 1 297.398 3.593 20 10 CHCDMN CC1(C)SC[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816601135 1131114198 /nfs/dbraw/zinc/11/41/98/1131114198.db2.gz SNBOOZAZSPQPHI-CQSZACIVSA-N 0 1 273.401 3.529 20 10 CHCDMN [O-]c1c(C[NH+]2CCC(F)(F)CC2)ccc2ccccc21 ZINC000816596691 1131114320 /nfs/dbraw/zinc/11/43/20/1131114320.db2.gz MFBPQQSZMRKQNX-UHFFFAOYSA-N 0 1 277.314 3.777 20 10 CHCDMN Cc1ccncc1C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816595921 1131114389 /nfs/dbraw/zinc/11/43/89/1131114389.db2.gz GRZRSUGBQMHPSH-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN Cc1ccncc1C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816595921 1131114393 /nfs/dbraw/zinc/11/43/93/1131114393.db2.gz GRZRSUGBQMHPSH-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2CCCSC2)ccc2ccccc21 ZINC000816612714 1131115246 /nfs/dbraw/zinc/11/52/46/1131115246.db2.gz WWNQUHBTGONHRO-ZDUSSCGKSA-N 0 1 287.428 3.778 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CCC1(F)F ZINC000816614788 1131116479 /nfs/dbraw/zinc/11/64/79/1131116479.db2.gz FSOJBQKKARCRDA-QMMMGPOBSA-N 0 1 293.716 3.662 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001237619686 1131118388 /nfs/dbraw/zinc/11/83/88/1131118388.db2.gz BKPBDBZJHFHJQS-QMMMGPOBSA-N 0 1 297.679 3.569 20 10 CHCDMN C[C@@H]1[C@@H](C)CN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000816647953 1131120873 /nfs/dbraw/zinc/12/08/73/1131120873.db2.gz BEFTYIXJOBLPFP-WDEREUQCSA-N 0 1 286.341 3.612 20 10 CHCDMN C[C@H]1CCN(Cc2cc(F)cc(Cl)c2O)CC1(F)F ZINC001237807480 1131143471 /nfs/dbraw/zinc/14/34/71/1131143471.db2.gz KCSTXXRUYGPEOB-QMMMGPOBSA-N 0 1 293.716 3.662 20 10 CHCDMN CS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC001116482642 1131149995 /nfs/dbraw/zinc/14/99/95/1131149995.db2.gz KOVGQYIKXAHNDK-NEPJUHHUSA-N 0 1 285.840 3.762 20 10 CHCDMN CS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC001116482653 1131150228 /nfs/dbraw/zinc/15/02/28/1131150228.db2.gz KOVGQYIKXAHNDK-NWDGAFQWSA-N 0 1 285.840 3.762 20 10 CHCDMN CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001117831514 1131203298 /nfs/dbraw/zinc/20/32/98/1131203298.db2.gz PGMXPGMBCWMETE-HZSPNIEDSA-N 0 1 299.418 3.816 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000818357823 1131211496 /nfs/dbraw/zinc/21/14/96/1131211496.db2.gz BDGCYKIARPWPCX-IQOUGMIPSA-N 0 1 265.784 3.885 20 10 CHCDMN C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(Br)ccc1[O-] ZINC000818358113 1131211973 /nfs/dbraw/zinc/21/19/73/1131211973.db2.gz CXSGYCGPVYASIQ-GUDRVLHUSA-N 0 1 296.208 3.604 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cc(Cl)ccc1[O-] ZINC001118239154 1131216032 /nfs/dbraw/zinc/21/60/32/1131216032.db2.gz YXLUDNUJNCORLF-MVWJERBFSA-N 0 1 271.763 3.977 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)Cc2ccccc2O)cc1Cl ZINC000824592094 1131476682 /nfs/dbraw/zinc/47/66/82/1131476682.db2.gz DPXWVFDFBUORTR-UHFFFAOYSA-N 0 1 291.778 3.692 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)Cc2ccccc2O)cc1Cl ZINC000824592094 1131476684 /nfs/dbraw/zinc/47/66/84/1131476684.db2.gz DPXWVFDFBUORTR-UHFFFAOYSA-N 0 1 291.778 3.692 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824651045 1131478358 /nfs/dbraw/zinc/47/83/58/1131478358.db2.gz TUUVJMKCYIKLRE-LBPRGKRZSA-N 0 1 272.175 3.683 20 10 CHCDMN Cc1ncsc1CN(C)Cc1cc(Cl)c(C)cc1O ZINC000824710134 1131479963 /nfs/dbraw/zinc/47/99/63/1131479963.db2.gz RPRYACDLYRVNPR-UHFFFAOYSA-N 0 1 296.823 3.751 20 10 CHCDMN CO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC1(C)C ZINC000824820232 1131485541 /nfs/dbraw/zinc/48/55/41/1131485541.db2.gz BPBDHOKDKDZLOJ-QGZVFWFLSA-N 0 1 299.414 3.792 20 10 CHCDMN CO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1(C)C ZINC000824820232 1131485545 /nfs/dbraw/zinc/48/55/45/1131485545.db2.gz BPBDHOKDKDZLOJ-QGZVFWFLSA-N 0 1 299.414 3.792 20 10 CHCDMN CN1CCCc2cc(C[N@@H+](C)Cc3ccsc3)ccc21 ZINC001138356095 1131494234 /nfs/dbraw/zinc/49/42/34/1131494234.db2.gz HJYCRBORPGZACF-UHFFFAOYSA-N 0 1 286.444 3.763 20 10 CHCDMN CCCc1ncc(CNCc2cc(Cl)cc(C)c2O)o1 ZINC000825086757 1131499227 /nfs/dbraw/zinc/49/92/27/1131499227.db2.gz VOPFYAVBVQTQBE-UHFFFAOYSA-N 0 1 294.782 3.584 20 10 CHCDMN Oc1c(F)cc(Cl)cc1CNc1ccc2c(n1)CCC2 ZINC000825124736 1131499599 /nfs/dbraw/zinc/49/95/99/1131499599.db2.gz XBBKXAJPEBXWTJ-UHFFFAOYSA-N 0 1 292.741 3.681 20 10 CHCDMN COC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000825321961 1131506785 /nfs/dbraw/zinc/50/67/85/1131506785.db2.gz SSKBJBJMWOOMDQ-OAHLLOKOSA-N 0 1 299.414 3.794 20 10 CHCDMN COC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000825321961 1131506789 /nfs/dbraw/zinc/50/67/89/1131506789.db2.gz SSKBJBJMWOOMDQ-OAHLLOKOSA-N 0 1 299.414 3.794 20 10 CHCDMN Cc1nc(CNCc2cc(Cl)c(C)cc2O)sc1C ZINC000825309470 1131508303 /nfs/dbraw/zinc/50/83/03/1131508303.db2.gz NYJPEOXVMHBMPS-UHFFFAOYSA-N 0 1 296.823 3.717 20 10 CHCDMN Fc1ccccc1CNCc1ccc(N2CCCC2)cc1 ZINC000035275543 1131559285 /nfs/dbraw/zinc/55/92/85/1131559285.db2.gz NLJUWFDJADTXBB-UHFFFAOYSA-N 0 1 284.378 3.716 20 10 CHCDMN Oc1cccc2c1C[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC001139064306 1131578670 /nfs/dbraw/zinc/57/86/70/1131578670.db2.gz ZORUZXOKDNOUSR-UHFFFAOYSA-N 0 1 279.339 3.697 20 10 CHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001139682649 1131627635 /nfs/dbraw/zinc/62/76/35/1131627635.db2.gz AMCHPIKMLMFIAI-NEPJUHHUSA-N 0 1 281.346 3.683 20 10 CHCDMN CCC[C@H]1CCCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139683358 1131628099 /nfs/dbraw/zinc/62/80/99/1131628099.db2.gz LVJLQOCOBFYRHT-NSHDSACASA-N 0 1 269.335 3.825 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140339500 1131702324 /nfs/dbraw/zinc/70/23/24/1131702324.db2.gz VNMPEGHADDFPAQ-VXGBXAGGSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140339500 1131702329 /nfs/dbraw/zinc/70/23/29/1131702329.db2.gz VNMPEGHADDFPAQ-VXGBXAGGSA-N 0 1 265.784 3.668 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2cc(F)cnc2Cl)c(O)c1 ZINC000834836835 1131710170 /nfs/dbraw/zinc/71/01/70/1131710170.db2.gz PJMXBYWNAOOLAX-SNVBAGLBSA-N 0 1 294.757 3.739 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCCCCCC1 ZINC000834885582 1131718696 /nfs/dbraw/zinc/71/86/96/1131718696.db2.gz BPNMWZQNVWFBKX-UHFFFAOYSA-N 0 1 270.376 3.707 20 10 CHCDMN CCN(C)c1ccc([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000834896815 1131721669 /nfs/dbraw/zinc/72/16/69/1131721669.db2.gz OBQLUQQGZLRMIB-GRDNDAEWSA-N 0 1 298.434 3.696 20 10 CHCDMN CCC(C)(C)OCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834914101 1131733420 /nfs/dbraw/zinc/73/34/20/1131733420.db2.gz LFNAFMMWQGZHIT-LLVKDONJSA-N 0 1 285.815 3.901 20 10 CHCDMN Cc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140461163 1131747234 /nfs/dbraw/zinc/74/72/34/1131747234.db2.gz FWSOODOJFZFQAT-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN Cc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140461163 1131747240 /nfs/dbraw/zinc/74/72/40/1131747240.db2.gz FWSOODOJFZFQAT-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CCC1(F)F ZINC001140461379 1131747792 /nfs/dbraw/zinc/74/77/92/1131747792.db2.gz JZEDKQGAGFKOLS-SECBINFHSA-N 0 1 275.726 3.523 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CCC1(F)F ZINC001140461379 1131747796 /nfs/dbraw/zinc/74/77/96/1131747796.db2.gz JZEDKQGAGFKOLS-SECBINFHSA-N 0 1 275.726 3.523 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)[C@H]1C ZINC001140466458 1131752525 /nfs/dbraw/zinc/75/25/25/1131752525.db2.gz GKHMXCQJJMZCSA-MNOVXSKESA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])[C@H]1C ZINC001140466458 1131752530 /nfs/dbraw/zinc/75/25/30/1131752530.db2.gz GKHMXCQJJMZCSA-MNOVXSKESA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])[C@H]1C ZINC001140466458 1131752533 /nfs/dbraw/zinc/75/25/33/1131752533.db2.gz GKHMXCQJJMZCSA-MNOVXSKESA-N 0 1 253.773 3.666 20 10 CHCDMN Cc1ccc(CN(C)Cc2cccc(F)c2F)c(O)c1 ZINC001140954264 1131971475 /nfs/dbraw/zinc/97/14/75/1131971475.db2.gz OFGYIPDPNCTDNN-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2c(F)cccc2C1 ZINC001171438581 1132017242 /nfs/dbraw/zinc/01/72/42/1132017242.db2.gz TYXZNHXIQAFLOZ-MRXNPFEDSA-N 0 1 299.389 3.911 20 10 CHCDMN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2c(F)cccc2C1 ZINC001171438581 1132017250 /nfs/dbraw/zinc/01/72/50/1132017250.db2.gz TYXZNHXIQAFLOZ-MRXNPFEDSA-N 0 1 299.389 3.911 20 10 CHCDMN Cc1cc(Cl)cc(CN2CC(CC(F)(F)F)C2)c1O ZINC000839139144 1132184288 /nfs/dbraw/zinc/18/42/88/1132184288.db2.gz YAWAAARXHHIGKL-UHFFFAOYSA-N 0 1 293.716 3.738 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000840873078 1132299430 /nfs/dbraw/zinc/29/94/30/1132299430.db2.gz QQEMLXISZUKMSK-FJJYHAOUSA-N 0 1 297.826 3.900 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cc(Cl)ccc1[O-] ZINC000840876148 1132300276 /nfs/dbraw/zinc/30/02/76/1132300276.db2.gz MRKCJJGJKUSSLU-OASPWFOLSA-N 0 1 271.763 3.977 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCC(F)(F)F)c(Cl)c1 ZINC000840902897 1132307350 /nfs/dbraw/zinc/30/73/50/1132307350.db2.gz WVJFASGRGDQHCI-UHFFFAOYSA-N 0 1 281.705 3.786 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCSC2)c(Cl)c1 ZINC000840945641 1132312036 /nfs/dbraw/zinc/31/20/36/1132312036.db2.gz RWNCDBKCZROORM-NSHDSACASA-N 0 1 285.840 3.587 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@]1(C)O ZINC001231587458 1132317044 /nfs/dbraw/zinc/31/70/44/1132317044.db2.gz CLLFOENVRJMTDX-LIRRHRJNSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@]1(C)O ZINC001231587458 1132317052 /nfs/dbraw/zinc/31/70/52/1132317052.db2.gz CLLFOENVRJMTDX-LIRRHRJNSA-N 0 1 299.414 3.528 20 10 CHCDMN CC[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1OC ZINC001231605308 1132327457 /nfs/dbraw/zinc/32/74/57/1132327457.db2.gz KOBIUMYRMGKVRM-UHFFFAOYSA-N 0 1 289.350 3.562 20 10 CHCDMN Cc1cc(C)c(CN2CCCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001231843360 1132377161 /nfs/dbraw/zinc/37/71/61/1132377161.db2.gz WTBVHAVZCHMFMN-CQSZACIVSA-N 0 1 287.325 3.578 20 10 CHCDMN COc1cccc2c1CN(Cc1c(C)cc(C)cc1O)C2 ZINC001231850094 1132378190 /nfs/dbraw/zinc/37/81/90/1132378190.db2.gz ZSEDZYPSWSDACI-UHFFFAOYSA-N 0 1 283.371 3.533 20 10 CHCDMN Cc1cc(C)c(CN(C)Cc2cccc(F)c2F)c(O)c1 ZINC001231849170 1132378966 /nfs/dbraw/zinc/37/89/66/1132378966.db2.gz PGHBXVPHKPILSB-UHFFFAOYSA-N 0 1 291.341 3.919 20 10 CHCDMN CC[N@H+](Cc1cccnc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870612 1132384024 /nfs/dbraw/zinc/38/40/24/1132384024.db2.gz LZOQTXHGJFJLAG-UHFFFAOYSA-N 0 1 290.794 3.771 20 10 CHCDMN CC[N@@H+](Cc1cccnc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870612 1132384032 /nfs/dbraw/zinc/38/40/32/1132384032.db2.gz LZOQTXHGJFJLAG-UHFFFAOYSA-N 0 1 290.794 3.771 20 10 CHCDMN Cc1cc(O)c(CN2CCCC[C@@H](F)C2)cc1Cl ZINC001231868331 1132384138 /nfs/dbraw/zinc/38/41/38/1132384138.db2.gz TYDYSAIEMOUMPX-GFCCVEGCSA-N 0 1 271.763 3.678 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](CF)C2)ccc2ccccc21 ZINC001231880669 1132388843 /nfs/dbraw/zinc/38/88/43/1132388843.db2.gz BWDUMZNURCKYIM-ZDUSSCGKSA-N 0 1 273.351 3.727 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](CF)C2)ccc2ccccc21 ZINC001231880669 1132388850 /nfs/dbraw/zinc/38/88/50/1132388850.db2.gz BWDUMZNURCKYIM-ZDUSSCGKSA-N 0 1 273.351 3.727 20 10 CHCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])C1CCOCC1 ZINC001231882794 1132390223 /nfs/dbraw/zinc/39/02/23/1132390223.db2.gz VFHHJXIVXNNDTL-UHFFFAOYSA-N 0 1 285.387 3.546 20 10 CHCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])C1CCOCC1 ZINC001231882794 1132390229 /nfs/dbraw/zinc/39/02/29/1132390229.db2.gz VFHHJXIVXNNDTL-UHFFFAOYSA-N 0 1 285.387 3.546 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])CCC1(F)F ZINC001231910973 1132391522 /nfs/dbraw/zinc/39/15/22/1132391522.db2.gz XGRLXABTXSVURP-UHFFFAOYSA-N 0 1 289.753 3.913 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(Cl)cc1[O-] ZINC000841756477 1132393117 /nfs/dbraw/zinc/39/31/17/1132393117.db2.gz VVVZYDMGLXKUIA-ZWKOPEQDSA-N 0 1 271.763 3.977 20 10 CHCDMN C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841756980 1132394324 /nfs/dbraw/zinc/39/43/24/1132394324.db2.gz DISQXSDMPRUNMW-SSDOTTSWSA-N 0 1 267.678 3.649 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC12CCCCC2 ZINC001231909300 1132399962 /nfs/dbraw/zinc/39/99/62/1132399962.db2.gz ALGUQKPQMKITAA-UHFFFAOYSA-N 0 1 265.784 3.954 20 10 CHCDMN Oc1c(Cl)cccc1CN1CCCC[C@H]1C(F)(F)F ZINC001231912155 1132400605 /nfs/dbraw/zinc/40/06/05/1132400605.db2.gz WOOSUNFFLBCYHS-NSHDSACASA-N 0 1 293.716 3.962 20 10 CHCDMN COc1cc([O-])c(C[NH+]2C3CCCC2CCC3)cc1Cl ZINC001232267415 1132447283 /nfs/dbraw/zinc/44/72/83/1132447283.db2.gz BLGSGLXWPDNUFF-UHFFFAOYSA-N 0 1 295.810 3.961 20 10 CHCDMN COc1cc([O-])c(C[NH+]2CCCCCCC2)cc1Cl ZINC001232270175 1132447306 /nfs/dbraw/zinc/44/73/06/1132447306.db2.gz WYEVTNWDALGEDR-UHFFFAOYSA-N 0 1 283.799 3.820 20 10 CHCDMN COc1cc(O)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232267783 1132447889 /nfs/dbraw/zinc/44/78/89/1132447889.db2.gz IXNUMNPLYOPKEG-NWDGAFQWSA-N 0 1 295.810 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232267783 1132447891 /nfs/dbraw/zinc/44/78/91/1132447891.db2.gz IXNUMNPLYOPKEG-NWDGAFQWSA-N 0 1 295.810 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232267783 1132447894 /nfs/dbraw/zinc/44/78/94/1132447894.db2.gz IXNUMNPLYOPKEG-NWDGAFQWSA-N 0 1 295.810 3.676 20 10 CHCDMN C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)CC(F)F ZINC000842891142 1132475103 /nfs/dbraw/zinc/47/51/03/1132475103.db2.gz ZUQGLYZQJVCADQ-NGZCFLSTSA-N 0 1 287.325 3.961 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H]1F ZINC001143104597 1132502003 /nfs/dbraw/zinc/50/20/03/1132502003.db2.gz VZLHPTGSNBTIMO-IUODEOHRSA-N 0 1 279.399 3.870 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCCCCCC1 ZINC000131980437 1132574505 /nfs/dbraw/zinc/57/45/05/1132574505.db2.gz DNOCGRWQZPFVAL-UHFFFAOYSA-N 0 1 253.773 3.812 20 10 CHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc([S-])cc2)cc1 ZINC001233262824 1132593289 /nfs/dbraw/zinc/59/32/89/1132593289.db2.gz WPQHOMDJEDDLIS-UHFFFAOYSA-N 0 1 286.444 3.673 20 10 CHCDMN CC(C)(C)c1ccc(O)c(CN2CCc3occc3C2)c1 ZINC001233287054 1132594579 /nfs/dbraw/zinc/59/45/79/1132594579.db2.gz UVFLEGRGBOIRCM-UHFFFAOYSA-N 0 1 285.387 3.841 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)C[C@H]1C ZINC001233332633 1132601819 /nfs/dbraw/zinc/60/18/19/1132601819.db2.gz RSAOWUKDJHBAQJ-WDEREUQCSA-N 0 1 269.335 3.538 20 10 CHCDMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233332014 1132603759 /nfs/dbraw/zinc/60/37/59/1132603759.db2.gz UDSMQSUKRMRZQW-NSHDSACASA-N 0 1 289.325 3.790 20 10 CHCDMN C[N@@H+](Cc1c([O-])ccc(F)c1F)[C@H]1CCc2ccccc21 ZINC001233336247 1132604327 /nfs/dbraw/zinc/60/43/27/1132604327.db2.gz FGOBGMQUSJEEAN-HNNXBMFYSA-N 0 1 289.325 3.790 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(F)c2F)Cc2ccccc21 ZINC001233332129 1132604376 /nfs/dbraw/zinc/60/43/76/1132604376.db2.gz ZSVNLKWHVAHVHR-LLVKDONJSA-N 0 1 289.325 3.790 20 10 CHCDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233335891 1132604570 /nfs/dbraw/zinc/60/45/70/1132604570.db2.gz PWTFQTBUFORUER-LLVKDONJSA-N 0 1 289.325 3.617 20 10 CHCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001233335364 1132604949 /nfs/dbraw/zinc/60/49/49/1132604949.db2.gz RWALIQPJWUGOOP-FZMZJTMJSA-N 0 1 281.346 3.825 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCc2ccccc2C1 ZINC000133966161 1132608748 /nfs/dbraw/zinc/60/87/48/1132608748.db2.gz SCBAKRXKRKVQEF-UHFFFAOYSA-N 0 1 287.790 3.994 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCc2ccccc2C1 ZINC000133966161 1132608752 /nfs/dbraw/zinc/60/87/52/1132608752.db2.gz SCBAKRXKRKVQEF-UHFFFAOYSA-N 0 1 287.790 3.994 20 10 CHCDMN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])C[C@H]1CC1(C)C ZINC001233418687 1132621794 /nfs/dbraw/zinc/62/17/94/1132621794.db2.gz RFHIMCWKERWOMF-LLVKDONJSA-N 0 1 287.325 3.889 20 10 CHCDMN CC(C)[NH+](Cc1cccc(OC(F)(F)F)c1[O-])C(C)C ZINC001233727634 1132670847 /nfs/dbraw/zinc/67/08/47/1132670847.db2.gz NPLWPULAOOPGMC-UHFFFAOYSA-N 0 1 291.313 3.910 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001203586190 1133342552 /nfs/dbraw/zinc/34/25/52/1133342552.db2.gz NFPBHGATLHVRSA-QPUJVOFHSA-N 0 1 272.175 3.683 20 10 CHCDMN COc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c(O)c1 ZINC001203620392 1133345437 /nfs/dbraw/zinc/34/54/37/1133345437.db2.gz DAXDQGCXJCMELO-ZDUSSCGKSA-N 0 1 283.371 3.520 20 10 CHCDMN Cc1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])c1 ZINC001203648837 1133348156 /nfs/dbraw/zinc/34/81/56/1133348156.db2.gz WVKNYWGKQHGQJV-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1cccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])c1 ZINC001203648837 1133348161 /nfs/dbraw/zinc/34/81/61/1133348161.db2.gz WVKNYWGKQHGQJV-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN C[N@@H+](CCc1ccc(F)cc1)Cc1cc(Cl)ccc1O ZINC001203663966 1133350721 /nfs/dbraw/zinc/35/07/21/1133350721.db2.gz IHHZSPLMCCOMNY-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN C[N@H+](CCc1ccc(F)cc1)Cc1cc(Cl)ccc1[O-] ZINC001203663966 1133350725 /nfs/dbraw/zinc/35/07/25/1133350725.db2.gz IHHZSPLMCCOMNY-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN C[N@@H+](CCc1ccc(F)cc1)Cc1cc(Cl)ccc1[O-] ZINC001203663966 1133350729 /nfs/dbraw/zinc/35/07/29/1133350729.db2.gz IHHZSPLMCCOMNY-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001204769443 1133483448 /nfs/dbraw/zinc/48/34/48/1133483448.db2.gz UVDDDTFGXJXQDC-UWVGGRQHSA-N 0 1 271.763 3.805 20 10 CHCDMN CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001205540869 1133585709 /nfs/dbraw/zinc/58/57/09/1133585709.db2.gz LHNXTUDUPTZSIS-MRXNPFEDSA-N 0 1 297.826 3.827 20 10 CHCDMN CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001205540869 1133585713 /nfs/dbraw/zinc/58/57/13/1133585713.db2.gz LHNXTUDUPTZSIS-MRXNPFEDSA-N 0 1 297.826 3.827 20 10 CHCDMN CC(C)[C@@H]1[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1(C)C ZINC001206040246 1133645854 /nfs/dbraw/zinc/64/58/54/1133645854.db2.gz PNALVZLRWLTMNX-AWEZNQCLSA-N 0 1 269.335 3.537 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H](C)[C@H]1C ZINC001206342872 1133692754 /nfs/dbraw/zinc/69/27/54/1133692754.db2.gz MRHLZOWJTJKEBH-UTLUCORTSA-N 0 1 271.763 3.661 20 10 CHCDMN Oc1cccc2c1CN(C/C=C\c1ccc(F)c(F)c1)C2 ZINC001207242932 1133782424 /nfs/dbraw/zinc/78/24/24/1133782424.db2.gz GVBSPGWDZKEAAF-IHWYPQMZSA-N 0 1 287.309 3.699 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])Cc2ccccc21 ZINC001207447991 1133802793 /nfs/dbraw/zinc/80/27/93/1133802793.db2.gz IAZYUCVIDBVWBS-LLVKDONJSA-N 0 1 289.325 3.790 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC001207700921 1133839997 /nfs/dbraw/zinc/83/99/97/1133839997.db2.gz VQWMMRUBCIHDIM-AWEZNQCLSA-N 0 1 295.810 3.627 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403607173 1134812898 /nfs/dbraw/zinc/81/28/98/1134812898.db2.gz UAXHXZIRCZFSSZ-YHWZYXNKSA-N 0 1 283.824 3.562 20 10 CHCDMN C[C@@H]([NH2+]CCCOCC1CC1)c1cc(Cl)ccc1[O-] ZINC000184900869 262033464 /nfs/dbraw/zinc/03/34/64/262033464.db2.gz RUGOUYJEHWFTEW-LLVKDONJSA-N 0 1 283.799 3.513 20 10 CHCDMN COCC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000081709679 260184590 /nfs/dbraw/zinc/18/45/90/260184590.db2.gz NLFSGZKLPMSMSR-STQMWFEESA-N 0 1 273.376 3.621 20 10 CHCDMN C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cc(F)ccc1[O-] ZINC000185669640 262065397 /nfs/dbraw/zinc/06/53/97/262065397.db2.gz QMIBMOGLSAPHHX-CYBMUJFWSA-N 0 1 295.398 3.515 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185782213 262070675 /nfs/dbraw/zinc/07/06/75/262070675.db2.gz QRNMFAKVDPLQTI-GHMZBOCLSA-N 0 1 283.799 3.511 20 10 CHCDMN Cc1ccc(O)c([C@H](C)NCc2nc(C3CC3)cs2)c1 ZINC000186117322 262080345 /nfs/dbraw/zinc/08/03/45/262080345.db2.gz PPODJHJJHFVDFK-NSHDSACASA-N 0 1 288.416 3.885 20 10 CHCDMN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186519441 262096397 /nfs/dbraw/zinc/09/63/97/262096397.db2.gz QSZKQLBNYLOJNH-PRXHZCDDSA-N 0 1 285.387 3.523 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc2ccccc2c1[O-] ZINC000186234509 262312367 /nfs/dbraw/zinc/31/23/67/262312367.db2.gz SZACOSGZDAOETR-UKRRQHHQSA-N 0 1 285.387 3.765 20 10 CHCDMN CC[N@@H+](Cc1cccs1)Cc1cccc(F)c1[O-] ZINC000272287859 263003240 /nfs/dbraw/zinc/00/32/40/263003240.db2.gz NRUDCNPADKVZOO-UHFFFAOYSA-N 0 1 265.353 3.615 20 10 CHCDMN CC(C)OCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000184863405 327834655 /nfs/dbraw/zinc/83/46/55/327834655.db2.gz FMHBACSYSZEKBM-LLVKDONJSA-N 0 1 271.788 3.511 20 10 CHCDMN C[C@H]1C[C@@H]([NH2+]CC2CC=CC2)c2c1c(F)ccc2[O-] ZINC000527951661 330294451 /nfs/dbraw/zinc/29/44/51/330294451.db2.gz RJPQXFQEPAFKKM-GXFFZTMASA-N 0 1 261.340 3.635 20 10 CHCDMN C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000528008394 330303531 /nfs/dbraw/zinc/30/35/31/330303531.db2.gz TZKCDTUBMHBFTC-AOVQSLKQSA-N 0 1 283.799 3.508 20 10 CHCDMN CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000230664225 333320087 /nfs/dbraw/zinc/32/00/87/333320087.db2.gz SVLDXMFOWJHGCX-DYVFJYSZSA-N 0 1 287.403 3.603 20 10 CHCDMN C[NH+](C)Cc1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000158043224 521910331 /nfs/dbraw/zinc/91/03/31/521910331.db2.gz GZHSYQYYQNOZKI-UHFFFAOYSA-N 0 1 290.794 3.719 20 10 CHCDMN CN(C)c1ccc(CN[C@@H]2CCCc3occc32)cc1F ZINC000113320814 1125494302 /nfs/dbraw/zinc/49/43/02/1125494302.db2.gz YNTDYNUPTWYSOF-OAHLLOKOSA-N 0 1 288.366 3.652 20 10 CHCDMN Cc1ccc(NCc2ccc(F)c(F)c2O)c(C)c1 ZINC000703293963 1121245305 /nfs/dbraw/zinc/24/53/05/1121245305.db2.gz GBOXKBNVFADGRI-UHFFFAOYSA-N 0 1 263.287 3.899 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000273347901 1122229013 /nfs/dbraw/zinc/22/90/13/1122229013.db2.gz BBCFRRYUCUGDAT-IJLUTSLNSA-N 0 1 283.799 3.511 20 10 CHCDMN CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503159 1122631125 /nfs/dbraw/zinc/63/11/25/1122631125.db2.gz CTLRWNNUFFIVTQ-HOCLYGCPSA-N 0 1 299.842 3.883 20 10 CHCDMN CSC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000877663261 1125061519 /nfs/dbraw/zinc/06/15/19/1125061519.db2.gz MSNXXFSTWFFGEK-UHFFFAOYSA-N 0 1 285.840 3.681 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Br)C[C@H]1CC1(C)C ZINC001140101086 1131664238 /nfs/dbraw/zinc/66/42/38/1131664238.db2.gz JPQZLKXMTBCJDU-SNVBAGLBSA-N 0 1 298.224 3.633 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Br)C[C@H]1CC1(C)C ZINC001140101086 1131664242 /nfs/dbraw/zinc/66/42/42/1131664242.db2.gz JPQZLKXMTBCJDU-SNVBAGLBSA-N 0 1 298.224 3.633 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140464252 1131750940 /nfs/dbraw/zinc/75/09/40/1131750940.db2.gz IOKNLQFAHVTCOC-PHIMTYICSA-N 0 1 253.773 3.524 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140464252 1131750946 /nfs/dbraw/zinc/75/09/46/1131750946.db2.gz IOKNLQFAHVTCOC-PHIMTYICSA-N 0 1 253.773 3.524 20 10 CHCDMN Cc1ncc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000840794091 1132287194 /nfs/dbraw/zinc/28/71/94/1132287194.db2.gz CNLPCNBLSMUBKC-VIFPVBQESA-N 0 1 280.755 3.501 20 10 CHCDMN CCCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134902838 1125569522 /nfs/dbraw/zinc/56/95/22/1125569522.db2.gz ZBOMJKMKDKEUDH-SECBINFHSA-N 0 1 272.186 3.605 20 10 CHCDMN CCCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134902548 1125569707 /nfs/dbraw/zinc/56/97/07/1125569707.db2.gz OFNOMJZINCGGQB-SECBINFHSA-N 0 1 272.186 3.605 20 10 CHCDMN CCOC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841753801 1125592031 /nfs/dbraw/zinc/59/20/31/1125592031.db2.gz WOAYGEAGYPUBBR-FZMZJTMJSA-N 0 1 285.815 3.757 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(Cl)cc1[O-] ZINC000841757259 1125596551 /nfs/dbraw/zinc/59/65/51/1125596551.db2.gz MWEJKWMZYRUSLJ-VHSXEESVSA-N 0 1 292.766 3.558 20 10 CHCDMN C[C@H](C1CC1)[N@H+](Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000768532523 1129861716 /nfs/dbraw/zinc/86/17/16/1129861716.db2.gz MOYCREFCSHQTRC-SNVBAGLBSA-N 0 1 265.784 3.809 20 10 CHCDMN C[C@H](C1CC1)[N@@H+](Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000768532523 1129861722 /nfs/dbraw/zinc/86/17/22/1129861722.db2.gz MOYCREFCSHQTRC-SNVBAGLBSA-N 0 1 265.784 3.809 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000769236731 1129897088 /nfs/dbraw/zinc/89/70/88/1129897088.db2.gz CEWTVGWBVWZPFI-CQSZACIVSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000769236731 1129897096 /nfs/dbraw/zinc/89/70/96/1129897096.db2.gz CEWTVGWBVWZPFI-CQSZACIVSA-N 0 1 265.784 3.810 20 10 CHCDMN Cc1ncc(CN(C)Cc2cc(Cl)cc(C)c2O)s1 ZINC000179790665 1126834009 /nfs/dbraw/zinc/83/40/09/1126834009.db2.gz XPAVKNVGLOKNNE-UHFFFAOYSA-N 0 1 296.823 3.751 20 10 CHCDMN CCc1nc([C@@H](C)N[C@H](C)c2ccccc2O)cs1 ZINC000183508221 1126887968 /nfs/dbraw/zinc/88/79/68/1126887968.db2.gz SOSSSJKFSFMJQS-GHMZBOCLSA-N 0 1 276.405 3.823 20 10 CHCDMN Cc1nc([C@H]2CCCN2Cc2cc(C)ccc2O)cs1 ZINC000189940941 1126937293 /nfs/dbraw/zinc/93/72/93/1126937293.db2.gz PCQJHBMVDRQZPB-OAHLLOKOSA-N 0 1 288.416 3.803 20 10 CHCDMN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000133737983 1127017873 /nfs/dbraw/zinc/01/78/73/1127017873.db2.gz KUFSYTCQYDTVBE-WDEREUQCSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000133737983 1127017876 /nfs/dbraw/zinc/01/78/76/1127017876.db2.gz KUFSYTCQYDTVBE-WDEREUQCSA-N 0 1 298.224 3.775 20 10 CHCDMN CCN(C)c1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271436418 1127081686 /nfs/dbraw/zinc/08/16/86/1127081686.db2.gz BQFCUQXAGVXDIE-GUYCJALGSA-N 0 1 298.434 3.594 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078162 1131046372 /nfs/dbraw/zinc/04/63/72/1131046372.db2.gz OSJLFFSSFZUMGK-VIFPVBQESA-N 0 1 274.191 3.931 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001237127224 1131056733 /nfs/dbraw/zinc/05/67/33/1131056733.db2.gz XCMRYRCTEJGSOH-MRVPVSSYSA-N 0 1 293.716 3.662 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001237127224 1131056739 /nfs/dbraw/zinc/05/67/39/1131056739.db2.gz XCMRYRCTEJGSOH-MRVPVSSYSA-N 0 1 293.716 3.662 20 10 CHCDMN CC1(F)CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121225 1131056007 /nfs/dbraw/zinc/05/60/07/1131056007.db2.gz LBUNPMALEAXKJC-UHFFFAOYSA-N 0 1 275.726 3.509 20 10 CHCDMN Cc1csc(CN[C@H](C)c2c(C)cc(C)cc2O)n1 ZINC000284264028 1127179215 /nfs/dbraw/zinc/17/92/15/1127179215.db2.gz WLCYOFKNMMSRDP-GFCCVEGCSA-N 0 1 276.405 3.625 20 10 CHCDMN CCOc1cccc(C[N@@H+]([C@H](C)C(C)C)C2CC2)c1O ZINC000156980488 1127202019 /nfs/dbraw/zinc/20/20/19/1127202019.db2.gz QAZMUKDGLJEXDO-CYBMUJFWSA-N 0 1 277.408 3.800 20 10 CHCDMN CC[C@H](N[C@@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000285826929 1127244012 /nfs/dbraw/zinc/24/40/12/1127244012.db2.gz XLSUEYXHHGOMSL-HZMBPMFUSA-N 0 1 292.329 3.867 20 10 CHCDMN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000817587417 1131174440 /nfs/dbraw/zinc/17/44/40/1131174440.db2.gz WLHNXCOBEADBRV-WCFLWFBJSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000168861833 1131201738 /nfs/dbraw/zinc/20/17/38/1131201738.db2.gz QICPOAXNPOPSIX-CMPLNLGQSA-N 0 1 251.345 3.761 20 10 CHCDMN COCc1ccc(CNCc2c(C)c3ccccc3n2C)o1 ZINC000355125874 1127318851 /nfs/dbraw/zinc/31/88/51/1127318851.db2.gz RAVUWKIYSYYPFY-UHFFFAOYSA-N 0 1 298.386 3.516 20 10 CHCDMN C[C@@H]([NH2+]C1CC(C)C1)c1ccc2ccccc2c1[O-] ZINC000168838560 1127472074 /nfs/dbraw/zinc/47/20/74/1127472074.db2.gz XXTVFKYGNPIUSH-MBHSVXNSSA-N 0 1 255.361 3.995 20 10 CHCDMN CS[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168851896 1127472924 /nfs/dbraw/zinc/47/29/24/1127472924.db2.gz OEOPWUYMNOBXQQ-NWDGAFQWSA-N 0 1 275.417 3.948 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228175139 1127537304 /nfs/dbraw/zinc/53/73/04/1127537304.db2.gz AMKSISZJCGELTM-BXUZGUMPSA-N 0 1 265.784 3.810 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000761225762 1127550178 /nfs/dbraw/zinc/55/01/78/1127550178.db2.gz IEWZVDYBWUDUSY-UHFFFAOYSA-N 0 1 271.763 3.807 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC001232267443 1127653894 /nfs/dbraw/zinc/65/38/94/1127653894.db2.gz BXPNENKLGCLAPQ-PHIMTYICSA-N 0 1 283.799 3.532 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC001232267443 1127653897 /nfs/dbraw/zinc/65/38/97/1127653897.db2.gz BXPNENKLGCLAPQ-PHIMTYICSA-N 0 1 283.799 3.532 20 10 CHCDMN CCc1nc([C@H](C)N[C@H]2CCc3cccc(O)c32)cs1 ZINC000297685638 1127704080 /nfs/dbraw/zinc/70/40/80/1127704080.db2.gz LRZHDEFSDRJAPV-JQWIXIFHSA-N 0 1 288.416 3.749 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000230413080 1127752388 /nfs/dbraw/zinc/75/23/88/1127752388.db2.gz WCRLUSGGDHFJDC-WOPDTQHZSA-N 0 1 251.345 3.618 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC001233074756 1127923808 /nfs/dbraw/zinc/92/38/08/1127923808.db2.gz WVFKGOKEDVVGEB-SECBINFHSA-N 0 1 291.288 3.538 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000375020787 1127925342 /nfs/dbraw/zinc/92/53/42/1127925342.db2.gz NOTQJYQPRIBWTB-GFCCVEGCSA-N 0 1 294.807 3.839 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000375020787 1127925346 /nfs/dbraw/zinc/92/53/46/1127925346.db2.gz NOTQJYQPRIBWTB-GFCCVEGCSA-N 0 1 294.807 3.839 20 10 CHCDMN C[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1F ZINC000777967750 1128352659 /nfs/dbraw/zinc/35/26/59/1128352659.db2.gz ZAMAMLSNMCDXTO-RISCZKNCSA-N 0 1 295.398 3.575 20 10 CHCDMN Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779005610 1128676359 /nfs/dbraw/zinc/67/63/59/1128676359.db2.gz MASWOEHAOJSAJP-AWEZNQCLSA-N 0 1 285.362 3.829 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)[C@H]1c1ccccc1 ZINC000779034656 1128692059 /nfs/dbraw/zinc/69/20/59/1128692059.db2.gz ZEMIKUJOUFPOHF-YVEFUNNKSA-N 0 1 271.335 3.724 20 10 CHCDMN CCOC[C@H](C)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000779073528 1128719239 /nfs/dbraw/zinc/71/92/39/1128719239.db2.gz OONDIPVSRGWBEX-GXFFZTMASA-N 0 1 271.788 3.511 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000211517717 1118069665 /nfs/dbraw/zinc/06/96/65/1118069665.db2.gz NKLVXSIRSZVNIU-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000211517717 1118069670 /nfs/dbraw/zinc/06/96/70/1118069670.db2.gz NKLVXSIRSZVNIU-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000398216732 1118100446 /nfs/dbraw/zinc/10/04/46/1118100446.db2.gz LUZXLUIBZNHAFA-SNVBAGLBSA-N 0 1 299.292 3.732 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOC1CCCCC1 ZINC000083551587 1118356525 /nfs/dbraw/zinc/35/65/25/1118356525.db2.gz GPHKMQREQGLQSF-UHFFFAOYSA-N 0 1 297.826 3.875 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1O ZINC000252854015 1118550318 /nfs/dbraw/zinc/55/03/18/1118550318.db2.gz KPFGFBCITUUHPG-GHMZBOCLSA-N 0 1 283.799 3.675 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Cl)CC1(O)CCCCCC1 ZINC000779204463 1128787249 /nfs/dbraw/zinc/78/72/49/1128787249.db2.gz SSCDIWBMHIEQJL-UHFFFAOYSA-N 0 1 297.826 3.563 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)CC1(O)CCCCCC1 ZINC000779204463 1128787253 /nfs/dbraw/zinc/78/72/53/1128787253.db2.gz SSCDIWBMHIEQJL-UHFFFAOYSA-N 0 1 297.826 3.563 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000834901876 1118621609 /nfs/dbraw/zinc/62/16/09/1118621609.db2.gz AGKXPCDEXUYZRW-FUEDEBDSSA-N 0 1 297.826 3.900 20 10 CHCDMN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707135419 1118641560 /nfs/dbraw/zinc/64/15/60/1118641560.db2.gz SITMCVRUCZPDMH-SNVBAGLBSA-N 0 1 284.197 3.529 20 10 CHCDMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707135419 1118641561 /nfs/dbraw/zinc/64/15/61/1118641561.db2.gz SITMCVRUCZPDMH-SNVBAGLBSA-N 0 1 284.197 3.529 20 10 CHCDMN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1c([O-])cccc1Br ZINC000707138800 1118642634 /nfs/dbraw/zinc/64/26/34/1118642634.db2.gz HODGWVMYVMZYHB-QWRGUYRKSA-N 0 1 298.224 3.918 20 10 CHCDMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1c([O-])cccc1Br ZINC000707138800 1118642635 /nfs/dbraw/zinc/64/26/35/1118642635.db2.gz HODGWVMYVMZYHB-QWRGUYRKSA-N 0 1 298.224 3.918 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)[C@@H](C)[C@H]1C ZINC000707138843 1118643731 /nfs/dbraw/zinc/64/37/31/1118643731.db2.gz IDDACCIGBWYJTL-VWYCJHECSA-N 0 1 298.224 3.631 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)[C@@H](C)[C@H]1C ZINC000707138843 1118643733 /nfs/dbraw/zinc/64/37/33/1118643733.db2.gz IDDACCIGBWYJTL-VWYCJHECSA-N 0 1 298.224 3.631 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)[C@H]1C ZINC000707147316 1118648454 /nfs/dbraw/zinc/64/84/54/1118648454.db2.gz YHBHIUDHHFLRGD-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)[C@H]1C ZINC000707147316 1118648455 /nfs/dbraw/zinc/64/84/55/1118648455.db2.gz YHBHIUDHHFLRGD-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC000707153051 1118650752 /nfs/dbraw/zinc/65/07/52/1118650752.db2.gz SZJUFIGYKWLYLM-LLVKDONJSA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC000707153051 1118650753 /nfs/dbraw/zinc/65/07/53/1118650753.db2.gz SZJUFIGYKWLYLM-LLVKDONJSA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461922 1118720495 /nfs/dbraw/zinc/72/04/95/1118720495.db2.gz YJPYOBZMHJIMLO-CQSZACIVSA-N 0 1 271.763 3.760 20 10 CHCDMN C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461922 1118720496 /nfs/dbraw/zinc/72/04/96/1118720496.db2.gz YJPYOBZMHJIMLO-CQSZACIVSA-N 0 1 271.763 3.760 20 10 CHCDMN CN(Cc1ccccc1O)Cc1cc(Cl)ccc1F ZINC000091974508 1118952811 /nfs/dbraw/zinc/95/28/11/1118952811.db2.gz ZDSULDSEXDANEN-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCCCC1 ZINC000226611325 1119224341 /nfs/dbraw/zinc/22/43/41/1119224341.db2.gz OSBAWYCLJGASBU-LLVKDONJSA-N 0 1 251.345 3.590 20 10 CHCDMN CC1(C[NH2+]Cc2cc(Br)ccc2[O-])CCCC1 ZINC000224747133 1119226076 /nfs/dbraw/zinc/22/60/76/1119226076.db2.gz JCRKBGYLZNNRCS-UHFFFAOYSA-N 0 1 298.224 3.825 20 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HIOJGOPGEYLTIW-UHFFFAOYSA-N 0 1 291.366 3.500 20 10 CHCDMN CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756565184 1120531888 /nfs/dbraw/zinc/53/18/88/1120531888.db2.gz WIJFHZXBQPGNHH-GXTWGEPZSA-N 0 1 296.842 3.571 20 10 CHCDMN CN(C)c1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1F ZINC000922587004 1120558230 /nfs/dbraw/zinc/55/82/30/1120558230.db2.gz VGWROYYXIROZOS-GOSISDBHSA-N 0 1 299.393 3.528 20 10 CHCDMN c1cnc2c(c1)CCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000922878465 1120615913 /nfs/dbraw/zinc/61/59/13/1120615913.db2.gz WGBDJHFHAQHJKB-QGZVFWFLSA-N 0 1 294.398 3.574 20 10 CHCDMN CC(C)(C)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000313295542 1120705984 /nfs/dbraw/zinc/70/59/84/1120705984.db2.gz KHWCKAMVFMDARF-UHFFFAOYSA-N 0 1 255.789 3.962 20 10 CHCDMN CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185434167 1120911734 /nfs/dbraw/zinc/91/17/34/1120911734.db2.gz ZLSZNWIZNXLKCN-ACJLOTCBSA-N 0 1 287.403 3.603 20 10 CHCDMN C[C@H]1CSCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000192180406 1128974283 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C[C@H](c1cccs1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893947247 1121445524 /nfs/dbraw/zinc/44/55/24/1121445524.db2.gz VKZXXVJVXOOXNM-SECBINFHSA-N 0 1 283.343 3.925 20 10 CHCDMN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000708485197 1121468546 /nfs/dbraw/zinc/46/85/46/1121468546.db2.gz JDPQWOXHOPUFNO-INIZCTEOSA-N 0 1 259.393 3.937 20 10 CHCDMN [O-]c1ccccc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000708485197 1121468547 /nfs/dbraw/zinc/46/85/47/1121468547.db2.gz JDPQWOXHOPUFNO-INIZCTEOSA-N 0 1 259.393 3.937 20 10 CHCDMN Cc1cc(CN2C[C@@H](C)OC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000255956305 1121715701 /nfs/dbraw/zinc/71/57/01/1121715701.db2.gz GUGHSWIFABWSIF-ZIAGYGMSSA-N 0 1 291.435 3.607 20 10 CHCDMN CSC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001182044231 1122105927 /nfs/dbraw/zinc/10/59/27/1122105927.db2.gz VZWOWCMHJFVGIB-LLVKDONJSA-N 0 1 285.840 3.621 20 10 CHCDMN CSC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001182044231 1122105931 /nfs/dbraw/zinc/10/59/31/1122105931.db2.gz VZWOWCMHJFVGIB-LLVKDONJSA-N 0 1 285.840 3.621 20 10 CHCDMN C[C@@H]([NH2+]CC1CCSCC1)c1cc(Cl)ccc1[O-] ZINC000273359619 1122230253 /nfs/dbraw/zinc/23/02/53/1122230253.db2.gz AFMDAMZIXLPNDN-SNVBAGLBSA-N 0 1 285.840 3.839 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000273505204 1122236830 /nfs/dbraw/zinc/23/68/30/1122236830.db2.gz QXAUBPBFKMCWEL-PGUXBMHVSA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1nc(C)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000273623114 1122241510 /nfs/dbraw/zinc/24/15/10/1122241510.db2.gz ZRYQWACBPMDAJA-QMMMGPOBSA-N 0 1 296.823 3.970 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)c(Cl)c1 ZINC001184188489 1122257563 /nfs/dbraw/zinc/25/75/63/1122257563.db2.gz MQQASHWUSKRQEM-XHDPSFHLSA-N 0 1 297.851 3.539 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3CSC[C@@]3(C)C2)c(Cl)c1 ZINC001184188489 1122257566 /nfs/dbraw/zinc/25/75/66/1122257566.db2.gz MQQASHWUSKRQEM-XHDPSFHLSA-N 0 1 297.851 3.539 20 10 CHCDMN C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203664383 1122432995 /nfs/dbraw/zinc/43/29/95/1122432995.db2.gz CHGPMEDKGCYMLY-LBPRGKRZSA-N 0 1 287.790 3.992 20 10 CHCDMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203664383 1122432998 /nfs/dbraw/zinc/43/29/98/1122432998.db2.gz CHGPMEDKGCYMLY-LBPRGKRZSA-N 0 1 287.790 3.992 20 10 CHCDMN COc1cccc(O)c1C[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000775203904 1122478682 /nfs/dbraw/zinc/47/86/82/1122478682.db2.gz KGOMTGIHBULVFG-OAHLLOKOSA-N 0 1 299.414 3.772 20 10 CHCDMN CCc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775365109 1122528570 /nfs/dbraw/zinc/52/85/70/1122528570.db2.gz SWXGAGWJXKVKFW-CYBMUJFWSA-N 0 1 272.392 3.759 20 10 CHCDMN COc1cccc(F)c1[C@H](C)N[C@@H](C)c1ccccc1O ZINC000183533418 1129061246 /nfs/dbraw/zinc/06/12/46/1129061246.db2.gz PSCRNVLYHKQOMX-RYUDHWBXSA-N 0 1 289.350 3.952 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775510016 1122629817 /nfs/dbraw/zinc/62/98/17/1122629817.db2.gz WZMBVZLHOFAZJI-WDMOLILDSA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)CSC)c1cc(Cl)ccc1[O-] ZINC000775508620 1122629952 /nfs/dbraw/zinc/62/99/52/1122629952.db2.gz DNOAAHOFQUQIDA-CABZTGNLSA-N 0 1 273.829 3.838 20 10 CHCDMN CC[C@@H]([NH2+]CC[C@@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000775502532 1122630798 /nfs/dbraw/zinc/63/07/98/1122630798.db2.gz XGOQMAQCLLBVEV-ZWNOBZJWSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Cl)ccc1[O-] ZINC000775503170 1122631232 /nfs/dbraw/zinc/63/12/32/1122631232.db2.gz CTMBRQHLBZTILS-ZFWWWQNUSA-N 0 1 283.799 3.513 20 10 CHCDMN CC[C@H]([NH2+][C@@H](COC)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775510283 1122631373 /nfs/dbraw/zinc/63/13/73/1122631373.db2.gz ZQZQDEKWBMMKBS-KBPBESRZSA-N 0 1 285.815 3.757 20 10 CHCDMN CC[C@H]([NH2+]Cc1ccn(C)c1)c1cc(Cl)ccc1[O-] ZINC000775513379 1122632778 /nfs/dbraw/zinc/63/27/78/1122632778.db2.gz YXRRLHRIKMLKGE-AWEZNQCLSA-N 0 1 278.783 3.625 20 10 CHCDMN CC[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000775509610 1122633326 /nfs/dbraw/zinc/63/33/26/1122633326.db2.gz STDVXJOOFSFBTI-SWLSCSKDSA-N 0 1 296.842 3.571 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H]1CCCS1)c1cc(Cl)ccc1[O-] ZINC000775512316 1122633719 /nfs/dbraw/zinc/63/37/19/1122633719.db2.gz JBJKVQJMYYZUHB-DGCLKSJQSA-N 0 1 285.840 3.982 20 10 CHCDMN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513274 1122633729 /nfs/dbraw/zinc/63/37/29/1122633729.db2.gz PLVVRBQJFXNPCX-LNSITVRQSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cc(Cl)ccc1[O-] ZINC000775511857 1122633867 /nfs/dbraw/zinc/63/38/67/1122633867.db2.gz DOUDYVVVFQQAEA-OSAQELSMSA-N 0 1 297.826 3.637 20 10 CHCDMN CC[C@@H]([NH2+]CC1(CCOC)CC1)c1cc(Cl)ccc1[O-] ZINC000775521954 1122638774 /nfs/dbraw/zinc/63/87/74/1122638774.db2.gz GDRMEKUHSCMOLR-CQSZACIVSA-N 0 1 297.826 3.903 20 10 CHCDMN CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775527716 1122644688 /nfs/dbraw/zinc/64/46/88/1122644688.db2.gz SQLCFLJYCFDGOR-RISCZKNCSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775548486 1122658882 /nfs/dbraw/zinc/65/88/82/1122658882.db2.gz SZETVYNIHMMDIJ-JMSVASOKSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775552471 1122662038 /nfs/dbraw/zinc/66/20/38/1122662038.db2.gz VQSLIALKKNTYBG-BXUZGUMPSA-N 0 1 283.799 3.513 20 10 CHCDMN C[N@H+](Cc1cccc(Cl)c1[O-])Cc1ccc(F)cc1F ZINC000775648992 1122861806 /nfs/dbraw/zinc/86/18/06/1122861806.db2.gz ZJJTUWGXLHOPKR-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN CCCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775652962 1122868914 /nfs/dbraw/zinc/86/89/14/1122868914.db2.gz XDJBPOFPFBUEOC-UHFFFAOYSA-N 0 1 271.763 3.949 20 10 CHCDMN CCCN(Cc1cc(Cl)cc(F)c1O)CC(F)(F)F ZINC000775656691 1122868972 /nfs/dbraw/zinc/86/89/72/1122868972.db2.gz ZMFLKFUBURFTAJ-UHFFFAOYSA-N 0 1 299.695 3.959 20 10 CHCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CCCC1 ZINC000775665445 1122874936 /nfs/dbraw/zinc/87/49/36/1122874936.db2.gz BRSVFGAIJWOGIU-UHFFFAOYSA-N 0 1 271.763 3.807 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000775693202 1122911012 /nfs/dbraw/zinc/91/10/12/1122911012.db2.gz VQCSDAZWZJCOCK-SNVBAGLBSA-N 0 1 295.741 3.767 20 10 CHCDMN Oc1c(Cl)cccc1CN(CC(F)F)CC1CCC1 ZINC000775735642 1122929564 /nfs/dbraw/zinc/92/95/64/1122929564.db2.gz ACZFWFLPVHIPTQ-UHFFFAOYSA-N 0 1 289.753 3.913 20 10 CHCDMN C[C@@H](COc1ccccc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000776174398 1123101372 /nfs/dbraw/zinc/10/13/72/1123101372.db2.gz KYVCUQIATCOVTC-LBPRGKRZSA-N 0 1 291.778 3.603 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000850494847 1123275318 /nfs/dbraw/zinc/27/53/18/1123275318.db2.gz SXTPXMFCOHXCHT-AAEUAGOBSA-N 0 1 296.842 3.569 20 10 CHCDMN CC[C@@H](N[C@H](C)c1cscn1)c1ccc(C)cc1O ZINC000850511708 1123277887 /nfs/dbraw/zinc/27/78/87/1123277887.db2.gz LRDYUYQLOMRFSK-DGCLKSJQSA-N 0 1 276.405 3.959 20 10 CHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CCC(O)CC2)c1[O-] ZINC000850553349 1123289982 /nfs/dbraw/zinc/28/99/82/1123289982.db2.gz WJAUCAZDRKGHQV-DCBWTQNWSA-N 0 1 297.826 3.556 20 10 CHCDMN Cc1nc(CN(Cc2ccccc2O)C2CCCC2)co1 ZINC000851771573 1123379496 /nfs/dbraw/zinc/37/94/96/1123379496.db2.gz JBFVAKRDAWXQHO-UHFFFAOYSA-N 0 1 286.375 3.633 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000853564206 1123444214 /nfs/dbraw/zinc/44/42/14/1123444214.db2.gz KNTAGFFXMLIZMP-CYBMUJFWSA-N 0 1 288.366 3.512 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H](CCF)C1 ZINC000853564206 1123444217 /nfs/dbraw/zinc/44/42/17/1123444217.db2.gz KNTAGFFXMLIZMP-CYBMUJFWSA-N 0 1 288.366 3.512 20 10 CHCDMN Oc1c(CNCc2cc(C3CC3)no2)ccc2ccccc21 ZINC000895765176 1123512652 /nfs/dbraw/zinc/51/26/52/1123512652.db2.gz KNBMBVTYQPBJML-UHFFFAOYSA-N 0 1 294.354 3.701 20 10 CHCDMN Cc1ccc(O)c(CNCc2nc(C(C)(C)C)cs2)c1 ZINC000113337805 1123521659 /nfs/dbraw/zinc/52/16/59/1123521659.db2.gz QEEXSGSRLYOSJJ-UHFFFAOYSA-N 0 1 290.432 3.744 20 10 CHCDMN Cc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c(C)o1 ZINC000113330327 1123521731 /nfs/dbraw/zinc/52/17/31/1123521731.db2.gz WPJCWTZICSUPAD-GFCCVEGCSA-N 0 1 290.382 3.952 20 10 CHCDMN COc1ccc2ccc([O-])c(C[N@H+](C)C3CCCC3)c2c1 ZINC000194571952 1129135292 /nfs/dbraw/zinc/13/52/92/1129135292.db2.gz IVHBEGIYUZNMNQ-UHFFFAOYSA-N 0 1 285.387 3.928 20 10 CHCDMN COc1ccc2ccc([O-])c(C[N@@H+](C)C3CCCC3)c2c1 ZINC000194571952 1129135294 /nfs/dbraw/zinc/13/52/94/1129135294.db2.gz IVHBEGIYUZNMNQ-UHFFFAOYSA-N 0 1 285.387 3.928 20 10 CHCDMN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000858592546 1123665530 /nfs/dbraw/zinc/66/55/30/1123665530.db2.gz FSIFLZODDJTPGK-NFAWXSAZSA-N 0 1 285.387 3.621 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000862239193 1123794684 /nfs/dbraw/zinc/79/46/84/1123794684.db2.gz YRSKCCXCBCZWBM-CYBMUJFWSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000862239193 1123794685 /nfs/dbraw/zinc/79/46/85/1123794685.db2.gz YRSKCCXCBCZWBM-CYBMUJFWSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCC2(CC2)C1 ZINC000862328190 1123799992 /nfs/dbraw/zinc/79/99/92/1123799992.db2.gz MCLARKRKPITBBO-UHFFFAOYSA-N 0 1 296.208 3.531 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCCC2(CC2)C1 ZINC000862328190 1123799994 /nfs/dbraw/zinc/79/99/94/1123799994.db2.gz MCLARKRKPITBBO-UHFFFAOYSA-N 0 1 296.208 3.531 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(Cc2cccs2)C1 ZINC000862538943 1123817817 /nfs/dbraw/zinc/81/78/17/1123817817.db2.gz WGADCAXEQYUCCN-UHFFFAOYSA-N 0 1 293.819 3.782 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1cc(Cl)ccc1[O-] ZINC000840836225 1123838372 /nfs/dbraw/zinc/83/83/72/1123838372.db2.gz VWEFAKUCUYVICX-SMDDNHRTSA-N 0 1 285.815 3.759 20 10 CHCDMN Cc1cccc(OCC[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000083551483 1129150975 /nfs/dbraw/zinc/15/09/75/1129150975.db2.gz AKAIYYARHLMMDQ-UHFFFAOYSA-N 0 1 291.778 3.523 20 10 CHCDMN COc1c(Cl)cccc1NCc1ccc(F)c(F)c1O ZINC000864025396 1123910918 /nfs/dbraw/zinc/91/09/18/1123910918.db2.gz SERNKJGRQSMOSM-UHFFFAOYSA-N 0 1 299.704 3.945 20 10 CHCDMN CCOc1cc(C)ccc1NCc1ccc(F)c(F)c1O ZINC000864024654 1123911023 /nfs/dbraw/zinc/91/10/23/1123911023.db2.gz DSUBJNQKIVMMDW-UHFFFAOYSA-N 0 1 293.313 3.990 20 10 CHCDMN Oc1c(CNc2cccc(OCCF)c2)ccc(F)c1F ZINC000864029679 1123911922 /nfs/dbraw/zinc/91/19/22/1123911922.db2.gz AASAEYFHFQLVIW-UHFFFAOYSA-N 0 1 297.276 3.631 20 10 CHCDMN Cc1c2ccccc2n(C)c1CNc1nccn1C1CC1 ZINC000840886615 1123997211 /nfs/dbraw/zinc/99/72/11/1123997211.db2.gz JDFJATJSQUYBLO-UHFFFAOYSA-N 0 1 280.375 3.630 20 10 CHCDMN Cc1ccoc1CNCc1c(O)cc(C)cc1Cl ZINC000840950691 1124035861 /nfs/dbraw/zinc/03/58/61/1124035861.db2.gz QTMLTQQALYUCDA-UHFFFAOYSA-N 0 1 265.740 3.545 20 10 CHCDMN Cc1ccoc1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840950691 1124035866 /nfs/dbraw/zinc/03/58/66/1124035866.db2.gz QTMLTQQALYUCDA-UHFFFAOYSA-N 0 1 265.740 3.545 20 10 CHCDMN Oc1cccc2c1[C@H](N[C@@H](CF)c1ccc(F)cc1)CC2 ZINC000866596991 1124086110 /nfs/dbraw/zinc/08/61/10/1124086110.db2.gz MRNZWNMWJSSEBG-CABCVRRESA-N 0 1 289.325 3.819 20 10 CHCDMN C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc2ccccc2c1[O-] ZINC000123318337 1124583464 /nfs/dbraw/zinc/58/34/64/1124583464.db2.gz ZCBFQZAXYQSLEH-AWEZNQCLSA-N 0 1 299.414 3.891 20 10 CHCDMN Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000872132362 1124691925 /nfs/dbraw/zinc/69/19/25/1124691925.db2.gz FFJWYZHNCOFLNA-ONGXEEELSA-N 0 1 291.782 3.556 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000872133190 1124692610 /nfs/dbraw/zinc/69/26/10/1124692610.db2.gz LLUBFNSDTKJVQP-HIFRSBDPSA-N 0 1 298.434 3.653 20 10 CHCDMN CC[C@H](N[C@H](C)c1nccnc1C)c1ccc(N(C)C)cc1 ZINC000872135037 1124694049 /nfs/dbraw/zinc/69/40/49/1124694049.db2.gz UUKZYYPWJJBMEO-PBHICJAKSA-N 0 1 298.434 3.653 20 10 CHCDMN CCn1nccc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000124085172 1124715638 /nfs/dbraw/zinc/71/56/38/1124715638.db2.gz YVNISBGUMFKEPY-UHFFFAOYSA-N 0 1 299.418 3.553 20 10 CHCDMN CCCOc1ccc(CNCc2cccc(C)n2)cc1C ZINC000873016012 1124734837 /nfs/dbraw/zinc/73/48/37/1124734837.db2.gz BWKKDHJSZJDYNH-UHFFFAOYSA-N 0 1 284.403 3.777 20 10 CHCDMN CC(C)CCn1ccc(NCc2ccc(F)c(F)c2O)n1 ZINC000877109184 1125009754 /nfs/dbraw/zinc/00/97/54/1125009754.db2.gz BOVYOYSDFIIZBV-UHFFFAOYSA-N 0 1 295.333 3.525 20 10 CHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC(F)(F)C1 ZINC000529619400 1125019657 /nfs/dbraw/zinc/01/96/57/1125019657.db2.gz XHFXRULPWHDAKZ-MRVPVSSYSA-N 0 1 275.726 3.569 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccccc2O)cc1Cl ZINC000877755816 1125073405 /nfs/dbraw/zinc/07/34/05/1125073405.db2.gz NPQONMHKHXQIGX-LLVKDONJSA-N 0 1 291.778 3.910 20 10 CHCDMN COc1ccc(O)c([C@@H](C)NCc2ccc(SC)o2)c1 ZINC000883156408 1125374295 /nfs/dbraw/zinc/37/42/95/1125374295.db2.gz NIPOUJXIVVBDEY-SNVBAGLBSA-N 0 1 293.388 3.567 20 10 CHCDMN C[C@H]([NH2+]CC(C)(C)CC(F)F)c1cc(F)ccc1[O-] ZINC000883259501 1125387215 /nfs/dbraw/zinc/38/72/15/1125387215.db2.gz OOKUFTKYLDYBFH-VIFPVBQESA-N 0 1 275.314 3.863 20 10 CHCDMN CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cc(Cl)ccc1[O-] ZINC000883319426 1125395714 /nfs/dbraw/zinc/39/57/14/1125395714.db2.gz BIDNMOBSGIHWET-SUHUHFCYSA-N 0 1 283.799 3.511 20 10 CHCDMN Cc1ccc(O)c([C@H](C)NCc2cc(O)ccc2Cl)c1 ZINC000883326193 1125396883 /nfs/dbraw/zinc/39/68/83/1125396883.db2.gz VDLBGXXUYWGEPV-NSHDSACASA-N 0 1 291.778 3.910 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cc(Cl)ccc1[O-] ZINC000883357961 1125401277 /nfs/dbraw/zinc/40/12/77/1125401277.db2.gz YKHJOTCSVMHVIV-YPMHNXCESA-N 0 1 295.810 3.798 20 10 CHCDMN Cc1ccc(O)c(CN[C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883383090 1125406775 /nfs/dbraw/zinc/40/67/75/1125406775.db2.gz SSXNJFOEZHXEHZ-FUHWJXTLSA-N 0 1 285.362 3.816 20 10 CHCDMN C[C@H]([N@@H+](C)Cc1cc(Cl)ccc1[O-])C(C)(C)C ZINC000132557336 1125419971 /nfs/dbraw/zinc/41/99/71/1125419971.db2.gz AHFDZYKACLWTKI-JTQLQIEISA-N 0 1 255.789 3.912 20 10 CHCDMN CC(F)(F)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000296027944 1129220833 /nfs/dbraw/zinc/22/08/33/1129220833.db2.gz NAIRDGAPOWQXKK-UHFFFAOYSA-N 0 1 263.715 3.571 20 10 CHCDMN 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CC(C)[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CC1 ZINC000816490910 1131100627 /nfs/dbraw/zinc/10/06/27/1131100627.db2.gz ORAVPXLFRHEBRW-UHFFFAOYSA-N 0 1 271.763 3.805 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816494812 1131100968 /nfs/dbraw/zinc/10/09/68/1131100968.db2.gz AIWIFLFGMRVBOB-SNVBAGLBSA-N 0 1 257.736 3.559 20 10 CHCDMN Cc1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])o1 ZINC000816535104 1131105137 /nfs/dbraw/zinc/10/51/37/1131105137.db2.gz FMKASUFDWCNUEZ-UHFFFAOYSA-N 0 1 281.355 3.779 20 10 CHCDMN C[C@H]1CCCCN1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816535762 1131105237 /nfs/dbraw/zinc/10/52/37/1131105237.db2.gz YXIKRHUTGIQAMH-HNNXBMFYSA-N 0 1 298.430 3.509 20 10 CHCDMN Cc1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816550854 1131106619 /nfs/dbraw/zinc/10/66/19/1131106619.db2.gz FMXOMVMUDVASBD-UHFFFAOYSA-N 0 1 292.382 3.581 20 10 CHCDMN [O-]c1c(C[NH2+]CC2CCSCC2)ccc2ccccc21 ZINC000816549617 1131106798 /nfs/dbraw/zinc/10/67/98/1131106798.db2.gz UCKCLFXKSIBLIY-UHFFFAOYSA-N 0 1 287.428 3.778 20 10 CHCDMN C[C@@H]1CSCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816591980 1131109899 /nfs/dbraw/zinc/10/98/99/1131109899.db2.gz TUTFWQGTCUIMPL-ZDUSSCGKSA-N 0 1 287.428 3.730 20 10 CHCDMN C[C@@H]1CSCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816591980 1131109904 /nfs/dbraw/zinc/10/99/04/1131109904.db2.gz TUTFWQGTCUIMPL-ZDUSSCGKSA-N 0 1 287.428 3.730 20 10 CHCDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H](C2CC2)O1 ZINC000816594518 1131110329 /nfs/dbraw/zinc/11/03/29/1131110329.db2.gz HBVIFPMINIQMRZ-SCLBCKFNSA-N 0 1 297.398 3.545 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H](C2CC2)O1 ZINC000816594518 1131110331 /nfs/dbraw/zinc/11/03/31/1131110331.db2.gz HBVIFPMINIQMRZ-SCLBCKFNSA-N 0 1 297.398 3.545 20 10 CHCDMN [O-]c1c(C[NH2+]CCCc2nccs2)ccc2ccccc21 ZINC000816563469 1131111775 /nfs/dbraw/zinc/11/17/75/1131111775.db2.gz ZABZPFAVKSJYAF-UHFFFAOYSA-N 0 1 298.411 3.724 20 10 CHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001139682706 1131112013 /nfs/dbraw/zinc/11/20/13/1131112013.db2.gz BEZAGXSMWMAMDV-XHDPSFHLSA-N 0 1 281.346 3.825 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@H]2CCCCS2)ccc2ccccc21 ZINC000816567367 1131113304 /nfs/dbraw/zinc/11/33/04/1131113304.db2.gz YSZZVQKMUBGEJM-OAHLLOKOSA-N 0 1 287.428 3.921 20 10 CHCDMN CC1(CC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816594831 1131113818 /nfs/dbraw/zinc/11/38/18/1131113818.db2.gz PZKCFOFLUQYZMV-UHFFFAOYSA-N 0 1 255.361 3.825 20 10 CHCDMN CCC(CC)(C[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000816617424 1131115534 /nfs/dbraw/zinc/11/55/34/1131115534.db2.gz YTZHAXGLNXNNDA-UHFFFAOYSA-N 0 1 287.403 3.840 20 10 CHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000816615509 1131116587 /nfs/dbraw/zinc/11/65/87/1131116587.db2.gz YDWNRMMMHBANMF-HNNXBMFYSA-N 0 1 295.785 3.949 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Br)c(C)cc1O ZINC001237678561 1131127020 /nfs/dbraw/zinc/12/70/20/1131127020.db2.gz JITCQOHYKIVBJE-GFCCVEGCSA-N 0 1 298.224 3.838 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC001237799806 1131140862 /nfs/dbraw/zinc/14/08/62/1131140862.db2.gz UTGCGWPLNWGAGK-UHFFFAOYSA-N 0 1 283.774 3.951 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000817411840 1131160746 /nfs/dbraw/zinc/16/07/46/1131160746.db2.gz WYTKFXXPTKDGSB-LBPRGKRZSA-N 0 1 297.851 3.669 20 10 CHCDMN C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc2ccccc2c1[O-] ZINC000817585268 1131173157 /nfs/dbraw/zinc/17/31/57/1131173157.db2.gz DWNHKLUKERTABC-AWEZNQCLSA-N 0 1 299.414 3.891 20 10 CHCDMN CCn1ccnc1[C@H](C)N[C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001117831515 1131203744 /nfs/dbraw/zinc/20/37/44/1131203744.db2.gz PGMXPGMBCWMETE-IHRRRGAJSA-N 0 1 299.418 3.816 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CCSc2ccccc2C1 ZINC001137840066 1131421743 /nfs/dbraw/zinc/42/17/43/1131421743.db2.gz QSDALXOGZXJMGN-UHFFFAOYSA-N 0 1 289.375 3.639 20 10 CHCDMN CCN(Cc1ccccc1O)Cc1cc(F)c(F)cc1F ZINC001137892297 1131430323 /nfs/dbraw/zinc/43/03/23/1131430323.db2.gz NYZHWWYVWCYEHS-UHFFFAOYSA-N 0 1 295.304 3.832 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cccc(F)c2[O-])cc1C ZINC001138129514 1131469843 /nfs/dbraw/zinc/46/98/43/1131469843.db2.gz HZQVWAXZVSSGHQ-UHFFFAOYSA-N 0 1 273.351 3.780 20 10 CHCDMN CC[N@@H+](Cc1cccc(F)c1[O-])Cc1cccc(F)c1F ZINC001138129397 1131469864 /nfs/dbraw/zinc/46/98/64/1131469864.db2.gz AUMWDRQSFYPNBB-UHFFFAOYSA-N 0 1 295.304 3.832 20 10 CHCDMN Cc1cccc(CC[N@H+](C)Cc2cccc(F)c2[O-])c1 ZINC001138128467 1131469880 /nfs/dbraw/zinc/46/98/80/1131469880.db2.gz LZNYZXABEWBEMI-UHFFFAOYSA-N 0 1 273.351 3.514 20 10 CHCDMN C[N@@H+](C/C=C/c1ccccc1)Cc1cccc(F)c1[O-] ZINC001138128315 1131469956 /nfs/dbraw/zinc/46/99/56/1131469956.db2.gz CJUQJBUQCWOXEA-RMKNXTFCSA-N 0 1 271.335 3.677 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824942344 1131490589 /nfs/dbraw/zinc/49/05/89/1131490589.db2.gz YUUKGCUGFCHSQE-DZGCQCFKSA-N 0 1 277.795 3.666 20 10 CHCDMN CS[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825320945 1131506643 /nfs/dbraw/zinc/50/66/43/1131506643.db2.gz QPISMYVCNIKGHP-NWDGAFQWSA-N 0 1 285.840 3.728 20 10 CHCDMN CC[C@H](CSC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825401377 1131510209 /nfs/dbraw/zinc/51/02/09/1131510209.db2.gz VEBIPRPLYNOMCY-LLVKDONJSA-N 0 1 273.829 3.585 20 10 CHCDMN CC[N@@H+](Cc1ccc2ccn(C)c2c1)Cc1ccccc1O ZINC001139206610 1131596044 /nfs/dbraw/zinc/59/60/44/1131596044.db2.gz GMVWQJGDUMJGHC-UHFFFAOYSA-N 0 1 294.398 3.906 20 10 CHCDMN CCC[N@H+](Cc1c(F)ccc(F)c1[O-])CC(C)C ZINC001139686775 1131628925 /nfs/dbraw/zinc/62/89/25/1131628925.db2.gz FNQKCNQVGSXHOU-UHFFFAOYSA-N 0 1 257.324 3.538 20 10 CHCDMN COc1c(Cl)cccc1CN(C)Cc1ccccc1O ZINC001140062281 1131661690 /nfs/dbraw/zinc/66/16/90/1131661690.db2.gz QOWHCWVGAJFCCH-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN CC[N@@H+](Cc1ccccc1O)Cc1c(C)ccc(C)c1O ZINC001140184521 1131674403 /nfs/dbraw/zinc/67/44/03/1131674403.db2.gz XZAMISUMLBHHCX-UHFFFAOYSA-N 0 1 285.387 3.737 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC12CCCC2 ZINC000846000143 1131676418 /nfs/dbraw/zinc/67/64/18/1131676418.db2.gz NIFWISLFKYKTBL-UHFFFAOYSA-N 0 1 296.208 3.673 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC12CCCC2 ZINC000846000143 1131676421 /nfs/dbraw/zinc/67/64/21/1131676421.db2.gz NIFWISLFKYKTBL-UHFFFAOYSA-N 0 1 296.208 3.673 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846104607 1131690359 /nfs/dbraw/zinc/69/03/59/1131690359.db2.gz JOIGZNDPFISRSP-ZDUSSCGKSA-N 0 1 287.737 3.667 20 10 CHCDMN C[C@]1(F)CCCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337871 1131702414 /nfs/dbraw/zinc/70/24/14/1131702414.db2.gz KFWGHIWJZVTFPP-AWEZNQCLSA-N 0 1 271.763 3.760 20 10 CHCDMN C[C@]1(F)CCCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337871 1131702415 /nfs/dbraw/zinc/70/24/15/1131702415.db2.gz KFWGHIWJZVTFPP-AWEZNQCLSA-N 0 1 271.763 3.760 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)CCC1(F)F ZINC001140337955 1131702786 /nfs/dbraw/zinc/70/27/86/1131702786.db2.gz OQISEOIQKKZMPA-JTQLQIEISA-N 0 1 289.753 3.913 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)CCC1(F)F ZINC001140337955 1131702788 /nfs/dbraw/zinc/70/27/88/1131702788.db2.gz OQISEOIQKKZMPA-JTQLQIEISA-N 0 1 289.753 3.913 20 10 CHCDMN C[C@@]1(F)CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC001140338127 1131702882 /nfs/dbraw/zinc/70/28/82/1131702882.db2.gz VYNGKGTYJDPFQP-CQSZACIVSA-N 0 1 271.763 3.760 20 10 CHCDMN C[C@@]1(F)CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC001140338127 1131702885 /nfs/dbraw/zinc/70/28/85/1131702885.db2.gz VYNGKGTYJDPFQP-CQSZACIVSA-N 0 1 271.763 3.760 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CC2CCC(CC2)C1 ZINC001140342246 1131703679 /nfs/dbraw/zinc/70/36/79/1131703679.db2.gz ZSHUTHQSILFHIJ-UHFFFAOYSA-N 0 1 265.784 3.668 20 10 CHCDMN CC[C@H]([NH2+]Cc1ccnc(C)c1)c1cc(Cl)ccc1[O-] ZINC000834860112 1131713067 /nfs/dbraw/zinc/71/30/67/1131713067.db2.gz ONBJDOZUHBUXHB-HNNXBMFYSA-N 0 1 290.794 3.990 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)CCCCO)c1cc(Cl)ccc1[O-] ZINC000834877171 1131716425 /nfs/dbraw/zinc/71/64/25/1131716425.db2.gz HCQUJFHAHJZINH-RISCZKNCSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc(N(C)C)cc1 ZINC000834897578 1131721605 /nfs/dbraw/zinc/72/16/05/1131721605.db2.gz UQFYEPDNMQAGCR-COXVUDFISA-N 0 1 298.434 3.696 20 10 CHCDMN Cc1ccc([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)c(O)c1C ZINC000834896493 1131722056 /nfs/dbraw/zinc/72/20/56/1131722056.db2.gz WRWXYOVYEQFNDR-WHOFXGATSA-N 0 1 285.391 3.562 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1cc(Cl)ccc1[O-] ZINC000834915691 1131733376 /nfs/dbraw/zinc/73/33/76/1131733376.db2.gz RXJOFPDZAWVASF-SUHUHFCYSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1[O-] ZINC000834915686 1131733387 /nfs/dbraw/zinc/73/33/87/1131733387.db2.gz RXJOFPDZAWVASF-OSMZGAPFSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1cc(Cl)ccc1[O-] ZINC000834915681 1131733700 /nfs/dbraw/zinc/73/37/00/1131733700.db2.gz RXJOFPDZAWVASF-JKOKRWQUSA-N 0 1 283.799 3.654 20 10 CHCDMN C[N@H+](Cc1cccc(F)c1)Cc1ccc(Cl)cc1[O-] ZINC001140461066 1131746864 /nfs/dbraw/zinc/74/68/64/1131746864.db2.gz DDBPARQYANLEMR-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN C[N@@H+](Cc1cccc(F)c1)Cc1ccc(Cl)cc1[O-] ZINC001140461066 1131746866 /nfs/dbraw/zinc/74/68/66/1131746866.db2.gz DDBPARQYANLEMR-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN COc1cccc(C[N@H+](C)Cc2ccc(Cl)cc2[O-])c1 ZINC001140465103 1131750164 /nfs/dbraw/zinc/75/01/64/1131750164.db2.gz IDJRHGLGEJKNQE-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN COc1cccc(C[N@@H+](C)Cc2ccc(Cl)cc2[O-])c1 ZINC001140465103 1131750167 /nfs/dbraw/zinc/75/01/67/1131750167.db2.gz IDJRHGLGEJKNQE-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140464541 1131750796 /nfs/dbraw/zinc/75/07/96/1131750796.db2.gz UGJQDKGTZFFTBX-ZDUSSCGKSA-N 0 1 253.773 3.810 20 10 CHCDMN CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140464541 1131750802 /nfs/dbraw/zinc/75/08/02/1131750802.db2.gz UGJQDKGTZFFTBX-ZDUSSCGKSA-N 0 1 253.773 3.810 20 10 CHCDMN CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140464541 1131750808 /nfs/dbraw/zinc/75/08/08/1131750808.db2.gz UGJQDKGTZFFTBX-ZDUSSCGKSA-N 0 1 253.773 3.810 20 10 CHCDMN C[N@@H+](Cc1ccc(Cl)cc1[O-])C[C@@H]1CC1(C)C ZINC001140465661 1131751221 /nfs/dbraw/zinc/75/12/21/1131751221.db2.gz QGUQCMFSGZQFBB-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN C[N@H+](Cc1ccc(Cl)cc1[O-])C[C@@H]1CC1(C)C ZINC001140465661 1131751230 /nfs/dbraw/zinc/75/12/30/1131751230.db2.gz QGUQCMFSGZQFBB-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001140467222 1131752797 /nfs/dbraw/zinc/75/27/97/1131752797.db2.gz QFWHVNPABZJTPG-JTQLQIEISA-N 0 1 275.726 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001140467222 1131752802 /nfs/dbraw/zinc/75/28/02/1131752802.db2.gz QFWHVNPABZJTPG-JTQLQIEISA-N 0 1 275.726 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001140467222 1131752805 /nfs/dbraw/zinc/75/28/05/1131752805.db2.gz QFWHVNPABZJTPG-JTQLQIEISA-N 0 1 275.726 3.523 20 10 CHCDMN Cc1ccncc1CN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835051084 1131766354 /nfs/dbraw/zinc/76/63/54/1131766354.db2.gz CDOPRNWTPCUROO-AATRIKPKSA-N 0 1 295.430 3.601 20 10 CHCDMN C[N@@H+](Cc1ccc(Cl)cc1)Cc1c([O-])cc(F)cc1F ZINC001140583798 1131806757 /nfs/dbraw/zinc/80/67/57/1131806757.db2.gz SQUIFGPAKCGIMQ-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN Cc1ccc2c(c1)CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001171330776 1131852480 /nfs/dbraw/zinc/85/24/80/1131852480.db2.gz FNSJBWUJDWSWSW-UHFFFAOYSA-N 0 1 294.442 3.928 20 10 CHCDMN CC[C@@H](C)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001203068660 1131933492 /nfs/dbraw/zinc/93/34/92/1131933492.db2.gz XBEWCDPBONCDMT-SNVBAGLBSA-N 0 1 255.789 3.880 20 10 CHCDMN Cc1ccc(CN(C)Cc2nc3ccccc3s2)c(O)c1 ZINC001140947785 1131969570 /nfs/dbraw/zinc/96/95/70/1131969570.db2.gz FTIGNIIRKGWAGJ-UHFFFAOYSA-N 0 1 298.411 3.942 20 10 CHCDMN Cc1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)c(O)c1 ZINC001140955090 1131972243 /nfs/dbraw/zinc/97/22/43/1131972243.db2.gz QUHSCIOKWYQLKN-KRWDZBQOSA-N 0 1 267.372 3.820 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CC12CC2)c1cc(Br)ccc1[O-] ZINC000715222379 1131980598 /nfs/dbraw/zinc/98/05/98/1131980598.db2.gz IZYBXJQYLPJJEH-AAEUAGOBSA-N 0 1 296.208 3.748 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Br)ccc1[O-] ZINC000715222396 1131981321 /nfs/dbraw/zinc/98/13/21/1131981321.db2.gz IZYBXJQYLPJJEH-YPMHNXCESA-N 0 1 296.208 3.748 20 10 CHCDMN Cc1cc(CNCc2ccco2)c(C)n1-c1ccccc1 ZINC000036923321 1131983239 /nfs/dbraw/zinc/98/32/39/1131983239.db2.gz RELIHNYTXKWTQQ-UHFFFAOYSA-N 0 1 280.371 3.977 20 10 CHCDMN CO[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C12CCC2 ZINC000839180776 1132188927 /nfs/dbraw/zinc/18/89/27/1132188927.db2.gz WRGXFFLBOFCVAZ-SJORKVTESA-N 0 1 297.398 3.593 20 10 CHCDMN CCc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000839562892 1132223572 /nfs/dbraw/zinc/22/35/72/1132223572.db2.gz DZFPOMKGTJMAPT-CQSZACIVSA-N 0 1 283.419 3.561 20 10 CHCDMN CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000840763682 1132283609 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Cc1cc([O-])c(C[NH2+]C[C@H]2CCCSC2)c(Cl)c1 ZINC000840945640 1132312199 /nfs/dbraw/zinc/31/21/99/1132312199.db2.gz RWNCDBKCZROORM-LLVKDONJSA-N 0 1 285.840 3.587 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCC(C)(F)F)c(Cl)c1 ZINC000840949553 1132312427 /nfs/dbraw/zinc/31/24/27/1132312427.db2.gz XIQRQMXZGVBXIS-UHFFFAOYSA-N 0 1 277.742 3.879 20 10 CHCDMN Cc1cc(O)c(CN(C)Cc2ccc(O)cc2)c(Cl)c1 ZINC000840948943 1132312515 /nfs/dbraw/zinc/31/25/15/1132312515.db2.gz NBSHYBAUMAZHAO-UHFFFAOYSA-N 0 1 291.778 3.692 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)Cc2ccc(O)cc2)c(Cl)c1 ZINC000840948943 1132312520 /nfs/dbraw/zinc/31/25/20/1132312520.db2.gz NBSHYBAUMAZHAO-UHFFFAOYSA-N 0 1 291.778 3.692 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)Cc2ccc(O)cc2)c(Cl)c1 ZINC000840948943 1132312525 /nfs/dbraw/zinc/31/25/25/1132312525.db2.gz NBSHYBAUMAZHAO-UHFFFAOYSA-N 0 1 291.778 3.692 20 10 CHCDMN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001231870937 1132383844 /nfs/dbraw/zinc/38/38/44/1132383844.db2.gz 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Cc1cc([O-])c(C[NH2+]C[C@H](C)CC(F)F)c(Cl)c1 ZINC000842728672 1132455573 /nfs/dbraw/zinc/45/55/73/1132455573.db2.gz HEZOLYGFTBHZLC-SECBINFHSA-N 0 1 277.742 3.735 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000842889894 1132474671 /nfs/dbraw/zinc/47/46/71/1132474671.db2.gz IHQGFFBBGPGGLU-DTWKUNHWSA-N 0 1 277.742 3.988 20 10 CHCDMN C[N@@H+](Cc1ccccn1)Cc1cccc(C(C)(C)C)c1O ZINC001143103644 1132502695 /nfs/dbraw/zinc/50/26/95/1132502695.db2.gz IHZSZZUIGFAMFZ-UHFFFAOYSA-N 0 1 284.403 3.717 20 10 CHCDMN CN(C)c1ccc(/C=C/CN2CC(C)(CC(F)F)C2)cc1 ZINC000843424600 1132532219 /nfs/dbraw/zinc/53/22/19/1132532219.db2.gz DDXSUBWKNHUFBM-SNAWJCMRSA-N 0 1 294.389 3.743 20 10 CHCDMN Cc1cc(O)c(CN2CC(C)(CC(F)F)C2)c(Cl)c1 ZINC000843424894 1132532801 /nfs/dbraw/zinc/53/28/01/1132532801.db2.gz PKYZFFJSPIOZTN-UHFFFAOYSA-N 0 1 289.753 3.831 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC001233074687 1132569666 /nfs/dbraw/zinc/56/96/66/1132569666.db2.gz 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C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000184882941 262032298 /nfs/dbraw/zinc/03/22/98/262032298.db2.gz ZQOOGRWAMSNWJC-QWRGUYRKSA-N 0 1 276.767 3.852 20 10 CHCDMN CCc1ccc([C@H](COC)N[C@@H](C)c2ccccc2O)o1 ZINC000183530151 327820322 /nfs/dbraw/zinc/82/03/22/327820322.db2.gz FCNMNCRQAMFMOX-WFASDCNBSA-N 0 1 289.375 3.586 20 10 CHCDMN COC[C@@H](N[C@H](C)c1ccc(C)cc1O)c1ccc(C)o1 ZINC000185630829 327841699 /nfs/dbraw/zinc/84/16/99/327841699.db2.gz SLOMKYBQJJBJIL-UKRRQHHQSA-N 0 1 289.375 3.640 20 10 CHCDMN CC(C)OCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168882682 327489335 /nfs/dbraw/zinc/48/93/35/327489335.db2.gz RLLQKYFYCKYJQW-ZDUSSCGKSA-N 0 1 273.376 3.621 20 10 CHCDMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccoc1 ZINC000530413109 333546873 /nfs/dbraw/zinc/54/68/73/333546873.db2.gz JQCAXRBKLHTEND-CYBMUJFWSA-N 0 1 268.360 3.931 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273366858 334764792 /nfs/dbraw/zinc/76/47/92/334764792.db2.gz BRUFTYRQYWQBGO-QWHCGFSZSA-N 0 1 295.386 3.691 20 10 CHCDMN CCN(CC)c1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000035136787 520911866 /nfs/dbraw/zinc/91/18/66/520911866.db2.gz MQWFRMNIPFAQKJ-CQSZACIVSA-N 0 1 272.392 3.977 20 10 CHCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291590872 521344404 /nfs/dbraw/zinc/34/44/04/521344404.db2.gz PTXLQLDEZRUMFD-CYBMUJFWSA-N 0 1 297.826 3.825 20 10 CHCDMN COc1cc(Cl)cc(CN(C)Cc2occc2C)c1O ZINC000292827660 522538175 /nfs/dbraw/zinc/53/81/75/522538175.db2.gz QTLDPDTUDYRQRD-UHFFFAOYSA-N 0 1 295.766 3.588 20 10 CHCDMN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000290234603 523891448 /nfs/dbraw/zinc/89/14/48/523891448.db2.gz RZZCKOGAOBSDNJ-FRRDWIJNSA-N 0 1 273.376 3.619 20 10 CHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(F)c1F ZINC000121870184 525446680 /nfs/dbraw/zinc/44/66/80/525446680.db2.gz VRFZWZGORAARLG-LBPRGKRZSA-N 0 1 290.357 3.882 20 10 CHCDMN C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc2ccccc2c1[O-] ZINC000297411099 525457153 /nfs/dbraw/zinc/45/71/53/525457153.db2.gz UAZAZFQHMHOCTK-UONOGXRCSA-N 0 1 287.403 3.605 20 10 CHCDMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000037218846 525662651 /nfs/dbraw/zinc/66/26/51/525662651.db2.gz GJDMBMGVBMYBJA-ZIAGYGMSSA-N 0 1 269.392 3.559 20 10 CHCDMN C[C@]1(F)CCC[N@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461921 1118720424 /nfs/dbraw/zinc/72/04/24/1118720424.db2.gz YJPYOBZMHJIMLO-AWEZNQCLSA-N 0 1 271.763 3.760 20 10 CHCDMN C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461921 1118720426 /nfs/dbraw/zinc/72/04/26/1118720426.db2.gz YJPYOBZMHJIMLO-AWEZNQCLSA-N 0 1 271.763 3.760 20 10 CHCDMN CC[C@H]([NH2+]CCOC(C)C)c1cc(Cl)ccc1[O-] ZINC000775552942 1122662166 /nfs/dbraw/zinc/66/21/66/1122662166.db2.gz ZIFQVZYLPBDKIM-ZDUSSCGKSA-N 0 1 271.788 3.511 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000841749897 1132390925 /nfs/dbraw/zinc/39/09/25/1132390925.db2.gz JMPCZQXMDCFORQ-PSASIEDQSA-N 0 1 275.726 3.884 20 10 CHCDMN C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001206517425 1133712545 /nfs/dbraw/zinc/71/25/45/1133712545.db2.gz SYJPATMLBHDLKH-GYSYKLTISA-N 0 1 267.800 3.960 20 10 CHCDMN CC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134906440 1125569607 /nfs/dbraw/zinc/56/96/07/1125569607.db2.gz FWDCCVOSVGASAR-BDAKNGLRSA-N 0 1 272.186 3.604 20 10 CHCDMN CC[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134906480 1125570031 /nfs/dbraw/zinc/57/00/31/1125570031.db2.gz FWDCCVOSVGASAR-RKDXNWHRSA-N 0 1 272.186 3.604 20 10 CHCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])ccn1 ZINC000841757642 1125597290 /nfs/dbraw/zinc/59/72/90/1125597290.db2.gz ODCVDTGQVQYOSQ-NSHDSACASA-N 0 1 276.767 3.600 20 10 CHCDMN Cc1cc(C)c([C@@H](C)NCc2cc(C3CC3)no2)c(O)c1 ZINC000886684744 1125709029 /nfs/dbraw/zinc/70/90/29/1125709029.db2.gz RFATUKQPYIZTDV-GFCCVEGCSA-N 0 1 286.375 3.725 20 10 CHCDMN CO[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000293669345 1129179599 /nfs/dbraw/zinc/17/95/99/1129179599.db2.gz JHJVEAVNCJPFHE-SJKOYZFVSA-N 0 1 285.387 3.621 20 10 CHCDMN C[N@H+](Cc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000768160834 1129837371 /nfs/dbraw/zinc/83/73/71/1129837371.db2.gz SQNQARUHRVUZPL-UHFFFAOYSA-N 0 1 267.781 3.739 20 10 CHCDMN C[N@@H+](Cc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000768160834 1129837376 /nfs/dbraw/zinc/83/73/76/1129837376.db2.gz SQNQARUHRVUZPL-UHFFFAOYSA-N 0 1 267.781 3.739 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000769246265 1129898284 /nfs/dbraw/zinc/89/82/84/1129898284.db2.gz YWJDUBITKRWGNV-CQSZACIVSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000769246265 1129898289 /nfs/dbraw/zinc/89/82/89/1129898289.db2.gz YWJDUBITKRWGNV-CQSZACIVSA-N 0 1 265.784 3.810 20 10 CHCDMN CCOc1ccc(C[N@H+](C)C2(C)CCCC2)c([O-])c1 ZINC000787334000 1130145075 /nfs/dbraw/zinc/14/50/75/1130145075.db2.gz CCNXIZZKMINEKX-UHFFFAOYSA-N 0 1 263.381 3.555 20 10 CHCDMN CCOc1ccc(C[N@@H+](C)C2(C)CCCC2)c([O-])c1 ZINC000787334000 1130145078 /nfs/dbraw/zinc/14/50/78/1130145078.db2.gz CCNXIZZKMINEKX-UHFFFAOYSA-N 0 1 263.381 3.555 20 10 CHCDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000194619993 1126784473 /nfs/dbraw/zinc/78/44/73/1126784473.db2.gz RZRLMNAQGCHTKN-ZDUSSCGKSA-N 0 1 299.374 3.512 20 10 CHCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179682791 1126831632 /nfs/dbraw/zinc/83/16/32/1126831632.db2.gz SQAPYFVGHKTKOY-SNVBAGLBSA-N 0 1 265.740 3.832 20 10 CHCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000781897128 1130746410 /nfs/dbraw/zinc/74/64/10/1130746410.db2.gz OPTWUTAMSFHTIY-SNVBAGLBSA-N 0 1 298.224 3.693 20 10 CHCDMN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000270665623 1127059826 /nfs/dbraw/zinc/05/98/26/1127059826.db2.gz PHFCZVMSNGVLAD-NHYWBVRUSA-N 0 1 297.826 3.729 20 10 CHCDMN C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC1CCC1 ZINC001236795041 1131008775 /nfs/dbraw/zinc/00/87/75/1131008775.db2.gz ACJWLDZCEJMJLQ-UHFFFAOYSA-N 0 1 274.191 3.931 20 10 CHCDMN CCC[N@@H+](Cc1ccc(OCC)cc1[O-])[C@@H](C)CC ZINC001237044703 1131038592 /nfs/dbraw/zinc/03/85/92/1131038592.db2.gz MIVOXZCEGIAVPL-ZDUSSCGKSA-N 0 1 265.397 3.801 20 10 CHCDMN CCOc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(O)c1 ZINC001237046217 1131039906 /nfs/dbraw/zinc/03/99/06/1131039906.db2.gz ZSMBPUUPUGTCNI-BETUJISGSA-N 0 1 263.381 3.554 20 10 CHCDMN Oc1ccc(F)c(Cl)c1C[N@H+]1CCC2(CCCC2)C1 ZINC001237125528 1131055302 /nfs/dbraw/zinc/05/53/02/1131055302.db2.gz DLLZPFNLXMZGPX-UHFFFAOYSA-N 0 1 283.774 3.951 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC2(CCCC2)C1 ZINC001237125528 1131055306 /nfs/dbraw/zinc/05/53/06/1131055306.db2.gz DLLZPFNLXMZGPX-UHFFFAOYSA-N 0 1 283.774 3.951 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC2(CCCC2)C1 ZINC001237125528 1131055313 /nfs/dbraw/zinc/05/53/13/1131055313.db2.gz DLLZPFNLXMZGPX-UHFFFAOYSA-N 0 1 283.774 3.951 20 10 CHCDMN CC[C@@H](N[C@@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000285826931 1127243741 /nfs/dbraw/zinc/24/37/41/1127243741.db2.gz XLSUEYXHHGOMSL-IINYFYTJSA-N 0 1 292.329 3.867 20 10 CHCDMN Cc1ccnc([C@@H](C)NCc2ccc3c(c2)CCCN3C)c1 ZINC000286019604 1127253859 /nfs/dbraw/zinc/25/38/59/1127253859.db2.gz JPPXLXVKSZABLH-OAHLLOKOSA-N 0 1 295.430 3.623 20 10 CHCDMN CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000293819807 1127522780 /nfs/dbraw/zinc/52/27/80/1127522780.db2.gz WHYGVEQRCNUKMP-VIFPVBQESA-N 0 1 294.782 3.755 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)C[C@@H]2C)cc1Cl ZINC001231870793 1127544422 /nfs/dbraw/zinc/54/44/22/1127544422.db2.gz UFQOUVPCTDFWLR-PWSUYJOCSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)cc1Cl ZINC001231870793 1127544424 /nfs/dbraw/zinc/54/44/24/1127544424.db2.gz UFQOUVPCTDFWLR-PWSUYJOCSA-N 0 1 267.800 3.974 20 10 CHCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC001308983149 1127632305 /nfs/dbraw/zinc/63/23/05/1127632305.db2.gz ADBMOWGECIUKBO-CQSZACIVSA-N 0 1 297.826 3.683 20 10 CHCDMN CCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000230665769 1127770813 /nfs/dbraw/zinc/77/08/13/1127770813.db2.gz WGAJVMWYCCGAJL-NSHDSACASA-N 0 1 251.345 3.762 20 10 CHCDMN CC(C)[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C1CC1 ZINC000324229944 1128161008 /nfs/dbraw/zinc/16/10/08/1128161008.db2.gz GXWMJOBWRWZBDS-BMIGLBTASA-N 0 1 251.345 3.617 20 10 CHCDMN CC(C)[N@@H+](Cc1c([O-])ccc2ccncc21)CC1CC1 ZINC000915207516 1128290090 /nfs/dbraw/zinc/29/00/90/1128290090.db2.gz AZNFYVMIUJCBHN-UHFFFAOYSA-N 0 1 270.376 3.561 20 10 CHCDMN CC(C)[N@H+](Cc1c([O-])ccc2ccncc21)CC1CC1 ZINC000915207516 1128290094 /nfs/dbraw/zinc/29/00/94/1128290094.db2.gz AZNFYVMIUJCBHN-UHFFFAOYSA-N 0 1 270.376 3.561 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000156053967 1128624313 /nfs/dbraw/zinc/62/43/13/1128624313.db2.gz YMTXLUIRZSXULF-UHFFFAOYSA-N 0 1 293.716 3.820 20 10 CHCDMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(F)ccc1O ZINC000779018424 1128681982 /nfs/dbraw/zinc/68/19/82/1128681982.db2.gz LORPYQJJBZEUJC-XUJVJEKNSA-N 0 1 263.356 3.684 20 10 CHCDMN COc1ccccc1[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921487883 1128710904 /nfs/dbraw/zinc/71/09/04/1128710904.db2.gz ZWUZJWUNPXDXLH-CQSZACIVSA-N 0 1 297.398 3.871 20 10 CHCDMN [O-]c1ccc(F)cc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000325008832 1117782500 /nfs/dbraw/zinc/78/25/00/1117782500.db2.gz CBFPDNYGBLEVEC-UHFFFAOYSA-N 0 1 263.356 3.590 20 10 CHCDMN CCc1nc(CN[C@H](C)c2ccc(C)cc2O)cs1 ZINC000185397311 1117820080 /nfs/dbraw/zinc/82/00/80/1117820080.db2.gz KWQAPNXWEDWYRY-LLVKDONJSA-N 0 1 276.405 3.570 20 10 CHCDMN C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CC1 ZINC000049227371 1128748842 /nfs/dbraw/zinc/74/88/42/1128748842.db2.gz FJGSWVMMJIJGOP-UHFFFAOYSA-N 0 1 271.360 3.611 20 10 CHCDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1 ZINC000049227371 1128748846 /nfs/dbraw/zinc/74/88/46/1128748846.db2.gz FJGSWVMMJIJGOP-UHFFFAOYSA-N 0 1 271.360 3.611 20 10 CHCDMN C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1 ZINC000049227371 1128748851 /nfs/dbraw/zinc/74/88/51/1128748851.db2.gz FJGSWVMMJIJGOP-UHFFFAOYSA-N 0 1 271.360 3.611 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2ccn(C3CCCC3)n2)c(O)c1 ZINC000186138364 1118021316 /nfs/dbraw/zinc/02/13/16/1118021316.db2.gz QCOVOOKHTLFSKA-CQSZACIVSA-N 0 1 299.418 3.863 20 10 CHCDMN COc1cc(C)ccc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000765608797 1118182560 /nfs/dbraw/zinc/18/25/60/1118182560.db2.gz KXZSGRNFXZBDGD-AWEZNQCLSA-N 0 1 297.398 3.789 20 10 CHCDMN Cc1cc(C)cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000693164675 1118301957 /nfs/dbraw/zinc/30/19/57/1118301957.db2.gz ATOSGMFCLLMVAA-UHFFFAOYSA-N 0 1 275.779 3.952 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H](C)C2CC2)cc1Cl ZINC001658124592 1118460973 /nfs/dbraw/zinc/46/09/73/1118460973.db2.gz ORZUSVWPRBLIAR-SNVBAGLBSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)[C@H](C)C2CC2)cc1Cl ZINC001658124592 1118460976 /nfs/dbraw/zinc/46/09/76/1118460976.db2.gz ORZUSVWPRBLIAR-SNVBAGLBSA-N 0 1 253.773 3.584 20 10 CHCDMN C[C@H]1CCC[C@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706847066 1118553192 /nfs/dbraw/zinc/55/31/92/1118553192.db2.gz VFDUJDUGCHTQQM-QWRGUYRKSA-N 0 1 298.224 3.681 20 10 CHCDMN CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000834906589 1118623552 /nfs/dbraw/zinc/62/35/52/1118623552.db2.gz XVRJOZNSBJUGIQ-IUODEOHRSA-N 0 1 297.826 3.903 20 10 CHCDMN CC1(C)CCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707129085 1118640281 /nfs/dbraw/zinc/64/02/81/1118640281.db2.gz DUVSJOTZPFKVRE-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN CC1(C)CCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707129085 1118640283 /nfs/dbraw/zinc/64/02/83/1118640283.db2.gz DUVSJOTZPFKVRE-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC000707153052 1118650980 /nfs/dbraw/zinc/65/09/80/1118650980.db2.gz SZJUFIGYKWLYLM-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC000707153052 1118650984 /nfs/dbraw/zinc/65/09/84/1118650984.db2.gz SZJUFIGYKWLYLM-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140464595 1118736123 /nfs/dbraw/zinc/73/61/23/1118736123.db2.gz WNUUJYMXRANEAS-ZDUSSCGKSA-N 0 1 253.773 3.666 20 10 CHCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140464595 1118736124 /nfs/dbraw/zinc/73/61/24/1118736124.db2.gz WNUUJYMXRANEAS-ZDUSSCGKSA-N 0 1 253.773 3.666 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CC(c2ccccc2)C1 ZINC001140465220 1118739454 /nfs/dbraw/zinc/73/94/54/1118739454.db2.gz IQWZSXCKGGSNGU-UHFFFAOYSA-N 0 1 273.763 3.645 20 10 CHCDMN CN(Cc1cc(F)c(F)c(F)c1)Cc1cc(F)ccc1O ZINC000180909853 1128818942 /nfs/dbraw/zinc/81/89/42/1128818942.db2.gz ZNTXAPVCACWMGL-UHFFFAOYSA-N 0 1 299.267 3.581 20 10 CHCDMN C[C@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)CCC[C@@H]1C ZINC001140582931 1119148521 /nfs/dbraw/zinc/14/85/21/1119148521.db2.gz PWMMAOURNXFHKK-QWRGUYRKSA-N 0 1 269.335 3.538 20 10 CHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]3C3CC3)c2c1 ZINC000728562916 1119345026 /nfs/dbraw/zinc/34/50/26/1119345026.db2.gz RIYNNONZSGSHQA-GOSISDBHSA-N 0 1 297.398 3.928 20 10 CHCDMN Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179706617 1119758281 /nfs/dbraw/zinc/75/82/81/1119758281.db2.gz SCAZZNKMYDKYGS-OAHLLOKOSA-N 0 1 290.794 3.721 20 10 CHCDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179706617 1119758283 /nfs/dbraw/zinc/75/82/83/1119758283.db2.gz SCAZZNKMYDKYGS-OAHLLOKOSA-N 0 1 290.794 3.721 20 10 CHCDMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000092326527 1120357192 /nfs/dbraw/zinc/35/71/92/1120357192.db2.gz BSWCWBDLNCUZCB-NEPJUHHUSA-N 0 1 287.407 3.769 20 10 CHCDMN CCOCCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000019962916 1120554588 /nfs/dbraw/zinc/55/45/88/1120554588.db2.gz MAOIRKYPIGHCKS-ZDUSSCGKSA-N 0 1 273.376 3.623 20 10 CHCDMN COCC(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000314001947 1120842293 /nfs/dbraw/zinc/84/22/93/1120842293.db2.gz ZJZTVHZEEBOIMY-CYBMUJFWSA-N 0 1 287.403 3.869 20 10 CHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CC12CCCC2 ZINC000700976213 1121129500 /nfs/dbraw/zinc/12/95/00/1121129500.db2.gz UOJIRTUTRBIRIW-ZDUSSCGKSA-N 0 1 296.208 3.577 20 10 CHCDMN CC1CCC([N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000226561934 1121157454 /nfs/dbraw/zinc/15/74/54/1121157454.db2.gz VCNQFWWOCRLICN-UHFFFAOYSA-N 0 1 251.345 3.542 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717628 1121173467 /nfs/dbraw/zinc/17/34/67/1121173467.db2.gz IAIIXDTWDMRZGS-UHFFFAOYSA-N 0 1 297.732 3.656 20 10 CHCDMN CCOc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000703277985 1121240725 /nfs/dbraw/zinc/24/07/25/1121240725.db2.gz YGPYHPDKXNSKRV-UHFFFAOYSA-N 0 1 279.286 3.681 20 10 CHCDMN Cc1ccc(F)cc1NCc1ccc(F)c(F)c1O ZINC000703376249 1121251457 /nfs/dbraw/zinc/25/14/57/1121251457.db2.gz BWUNUJPCRPXCMX-UHFFFAOYSA-N 0 1 267.250 3.730 20 10 CHCDMN Cc1ccc(NCc2ccc(F)c(F)c2O)c(F)c1 ZINC000703378417 1121251614 /nfs/dbraw/zinc/25/16/14/1121251614.db2.gz KHMMWRVGLZZJTM-UHFFFAOYSA-N 0 1 267.250 3.730 20 10 CHCDMN CCc1cc(CN[C@H](C)c2ccc(N(C)CC)cc2)on1 ZINC000766134668 1121303561 /nfs/dbraw/zinc/30/35/61/1121303561.db2.gz GOHFEZIGSXPEEJ-CYBMUJFWSA-N 0 1 287.407 3.544 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001237122772 1128979338 /nfs/dbraw/zinc/97/93/38/1128979338.db2.gz YQBWMLCDGHROFS-GHMZBOCLSA-N 0 1 283.774 3.807 20 10 CHCDMN C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc2ccccc2c1[O-] ZINC000178874208 1121785539 /nfs/dbraw/zinc/78/55/39/1121785539.db2.gz SDIPNZBRPQGRSX-CQSZACIVSA-N 0 1 299.414 3.749 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000732184225 1121910071 /nfs/dbraw/zinc/91/00/71/1121910071.db2.gz XSONLRDOIJFQAV-AWEZNQCLSA-N 0 1 294.354 3.523 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000732184225 1121910075 /nfs/dbraw/zinc/91/00/75/1121910075.db2.gz XSONLRDOIJFQAV-AWEZNQCLSA-N 0 1 294.354 3.523 20 10 CHCDMN C[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1C ZINC001180198581 1121964668 /nfs/dbraw/zinc/96/46/68/1121964668.db2.gz DWXFECKJFCCYCM-UWVGGRQHSA-N 0 1 271.763 3.663 20 10 CHCDMN Cc1ccc(C[N@@H+](Cc2cc(F)cc(F)c2[O-])C2CC2)o1 ZINC001180402115 1121985435 /nfs/dbraw/zinc/98/54/35/1121985435.db2.gz BIFOSVQJFWGZSH-UHFFFAOYSA-N 0 1 293.313 3.736 20 10 CHCDMN CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001180602033 1122002331 /nfs/dbraw/zinc/00/23/31/1122002331.db2.gz FKZSRPGLKOHNBU-JTQLQIEISA-N 0 1 281.705 3.866 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)CC2)c1[O-] ZINC000110806794 1122003149 /nfs/dbraw/zinc/00/31/49/1122003149.db2.gz YLOBDYLFXFVYRK-NSHDSACASA-N 0 1 295.810 3.870 20 10 CHCDMN C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1cccs1 ZINC001180917171 1122022460 /nfs/dbraw/zinc/02/24/60/1122022460.db2.gz MTGZWFLLSJPVQL-VIFPVBQESA-N 0 1 267.781 3.958 20 10 CHCDMN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181102183 1122032777 /nfs/dbraw/zinc/03/27/77/1122032777.db2.gz JNAVLPFLUDFZJQ-GXFFZTMASA-N 0 1 253.773 3.666 20 10 CHCDMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181102183 1122032784 /nfs/dbraw/zinc/03/27/84/1122032784.db2.gz JNAVLPFLUDFZJQ-GXFFZTMASA-N 0 1 253.773 3.666 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2CCC(C3CC3)CC2)c(Cl)c1 ZINC001182195863 1122119468 /nfs/dbraw/zinc/11/94/68/1122119468.db2.gz IZEFNZFVWVHNQI-UHFFFAOYSA-N 0 1 279.811 3.976 20 10 CHCDMN CCc1cccnc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000780705997 1122134808 /nfs/dbraw/zinc/13/48/08/1122134808.db2.gz JYQBBLAUBCMACY-AWEZNQCLSA-N 0 1 283.419 3.561 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc2ccccc2c1[O-] ZINC000319798460 1122411779 /nfs/dbraw/zinc/41/17/79/1122411779.db2.gz ANXLDSVOVFWBLO-OFQRWUPVSA-N 0 1 299.414 3.747 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CC1(C)C ZINC001203664211 1122431968 /nfs/dbraw/zinc/43/19/68/1122431968.db2.gz RBEFSGWHPLWVLH-LLVKDONJSA-N 0 1 253.773 3.524 20 10 CHCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CC1(C)C ZINC001203664211 1122431970 /nfs/dbraw/zinc/43/19/70/1122431970.db2.gz RBEFSGWHPLWVLH-LLVKDONJSA-N 0 1 253.773 3.524 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)CCOC)c1cc(Cl)ccc1[O-] ZINC000775501459 1122628889 /nfs/dbraw/zinc/62/88/89/1122628889.db2.gz QVRJOWNKZUAPET-ZWNOBZJWSA-N 0 1 271.788 3.511 20 10 CHCDMN CCC[C@](C)(O)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503244 1122629057 /nfs/dbraw/zinc/62/90/57/1122629057.db2.gz DVLSFPRBHVSDPN-HIFRSBDPSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@H]([NH2+]CCN(CC)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775502826 1122631271 /nfs/dbraw/zinc/63/12/71/1122631271.db2.gz ZQKAURXMLOZXJG-HNNXBMFYSA-N 0 1 298.858 3.817 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775510007 1122632176 /nfs/dbraw/zinc/63/21/76/1122632176.db2.gz WZMBVZLHOFAZJI-GYSYKLTISA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775507882 1122632472 /nfs/dbraw/zinc/63/24/72/1122632472.db2.gz OVXBOKSZZZUDPO-JSGCOSHPSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513278 1122633460 /nfs/dbraw/zinc/63/34/60/1122633460.db2.gz PLVVRBQJFXNPCX-UXIGCNINSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@H]([NH2+]C1CCSCC1)c1cc(Cl)ccc1[O-] ZINC000775519400 1122638827 /nfs/dbraw/zinc/63/88/27/1122638827.db2.gz NLNIKQRRIQORJG-ZDUSSCGKSA-N 0 1 285.840 3.982 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CCCOCC1)c1cc(Cl)ccc1[O-] ZINC000775532255 1122648385 /nfs/dbraw/zinc/64/83/85/1122648385.db2.gz UINPTUBHUZJOMI-JSGCOSHPSA-N 0 1 283.799 3.655 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC2(CCC2)C1 ZINC000775699705 1122912005 /nfs/dbraw/zinc/91/20/05/1122912005.db2.gz CDEGYFWIDOKEMT-UHFFFAOYSA-N 0 1 269.747 3.561 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(F)cc1F ZINC000776174072 1123102602 /nfs/dbraw/zinc/10/26/02/1123102602.db2.gz GNGKLFUMAROQRU-UHFFFAOYSA-N 0 1 297.732 3.656 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)c2ccccn2)c(Cl)c1 ZINC000850341654 1123254822 /nfs/dbraw/zinc/25/48/22/1123254822.db2.gz AZNZJDVCOHEUJJ-LBPRGKRZSA-N 0 1 290.794 3.642 20 10 CHCDMN CC[C@@H](N[C@@H](C)c1cscn1)c1ccc(C)cc1O ZINC000850511709 1123277787 /nfs/dbraw/zinc/27/77/87/1123277787.db2.gz LRDYUYQLOMRFSK-WCQYABFASA-N 0 1 276.405 3.959 20 10 CHCDMN Cc1ccc([C@H](C)N[C@@H](C)c2cscn2)c(O)c1C ZINC000850511501 1123278298 /nfs/dbraw/zinc/27/82/98/1123278298.db2.gz GTUZBSLCDNCBRM-RYUDHWBXSA-N 0 1 276.405 3.877 20 10 CHCDMN CC[C@H]([NH2+]Cc1cccc(N)c1)c1cc(Cl)ccc1[O-] ZINC000854217357 1123478013 /nfs/dbraw/zinc/47/80/13/1123478013.db2.gz LAYYXLMUNYDKDW-HNNXBMFYSA-N 0 1 290.794 3.869 20 10 CHCDMN [O-]c1ccccc1C[N@H+](CC1CCOCC1)C1CCCC1 ZINC000112698140 1123497494 /nfs/dbraw/zinc/49/74/94/1123497494.db2.gz WXEKZWJJRWZUSU-UHFFFAOYSA-N 0 1 289.419 3.563 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](CC1CCOCC1)C1CCCC1 ZINC000112698140 1123497496 /nfs/dbraw/zinc/49/74/96/1123497496.db2.gz WXEKZWJJRWZUSU-UHFFFAOYSA-N 0 1 289.419 3.563 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856806204 1123569526 /nfs/dbraw/zinc/56/95/26/1123569526.db2.gz BVKGEJAGYLSBCY-VIFPVBQESA-N 0 1 294.609 3.719 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(Cc2ccsc2)C1 ZINC000857067650 1123584359 /nfs/dbraw/zinc/58/43/59/1123584359.db2.gz CLKFOXHTAGUVLM-UHFFFAOYSA-N 0 1 293.819 3.782 20 10 CHCDMN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000776951625 1123612870 /nfs/dbraw/zinc/61/28/70/1123612870.db2.gz XRQKULFJMKHMPA-LSDHHAIUSA-N 0 1 297.826 3.729 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000858548964 1123661594 /nfs/dbraw/zinc/66/15/94/1123661594.db2.gz YCUWOITWIIHLAO-QITLCBANSA-N 0 1 297.398 3.764 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000840871918 1123867331 /nfs/dbraw/zinc/86/73/31/1123867331.db2.gz ICDBPFDSTWLQQD-WRWGMCAJSA-N 0 1 283.799 3.510 20 10 CHCDMN Oc1cccc(Cl)c1CNCc1ccc(F)cc1F ZINC000083552314 1129150657 /nfs/dbraw/zinc/15/06/57/1129150657.db2.gz KBYYYOMQYTVDHY-UHFFFAOYSA-N 0 1 283.705 3.614 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(F)cc1F ZINC000083552314 1129150661 /nfs/dbraw/zinc/15/06/61/1129150661.db2.gz KBYYYOMQYTVDHY-UHFFFAOYSA-N 0 1 283.705 3.614 20 10 CHCDMN Oc1ccc(Cl)c(F)c1CNc1ccc2c[nH]nc2c1 ZINC000864043553 1123912304 /nfs/dbraw/zinc/91/23/04/1123912304.db2.gz QTXJMQIKCYLBBF-UHFFFAOYSA-N 0 1 291.713 3.673 20 10 CHCDMN C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc2ccccc2c1[O-] ZINC000794833792 1123965874 /nfs/dbraw/zinc/96/58/74/1123965874.db2.gz LBQGRSDIJMYNJC-CJNGLKHVSA-N 0 1 299.414 3.747 20 10 CHCDMN C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc2ccccc2c1[O-] ZINC000794833788 1123966034 /nfs/dbraw/zinc/96/60/34/1123966034.db2.gz LBQGRSDIJMYNJC-BBRMVZONSA-N 0 1 299.414 3.747 20 10 CHCDMN Cc1ncc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000865702087 1124006847 /nfs/dbraw/zinc/00/68/47/1124006847.db2.gz USLDEFXGJXHYIJ-MRVPVSSYSA-N 0 1 282.796 3.661 20 10 CHCDMN C[C@H]([NH2+]CC(C)(C)F)c1cc(Br)ccc1[O-] ZINC000866409303 1124064883 /nfs/dbraw/zinc/06/48/83/1124064883.db2.gz XZKAFLRZUUOYIP-QMMMGPOBSA-N 0 1 290.176 3.553 20 10 CHCDMN Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000866477962 1124070179 /nfs/dbraw/zinc/07/01/79/1124070179.db2.gz HCPJHUMHJUFROC-SNVBAGLBSA-N 0 1 265.740 3.798 20 10 CHCDMN C[C@H]([NH2+]CC1(O)CCCC1)c1ccc2ccccc2c1[O-] ZINC000087015803 1129172141 /nfs/dbraw/zinc/17/21/41/1129172141.db2.gz WURMSLNZWMMHDI-ZDUSSCGKSA-N 0 1 285.387 3.501 20 10 CHCDMN CN(C)c1ccc(CNCc2cc(Cl)ccc2F)cc1 ZINC000125127232 1124854935 /nfs/dbraw/zinc/85/49/35/1124854935.db2.gz DANOYVZPHKQDAK-UHFFFAOYSA-N 0 1 292.785 3.835 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1Cl ZINC000825752538 1124866327 /nfs/dbraw/zinc/86/63/27/1124866327.db2.gz CHODJAPBXIZWFB-SNVBAGLBSA-N 0 1 289.753 3.879 20 10 CHCDMN CC(C)N(Cc1ccns1)Cc1ccc(N(C)C)cc1 ZINC000876584541 1124964057 /nfs/dbraw/zinc/96/40/57/1124964057.db2.gz IXJJTLQRLREPJE-UHFFFAOYSA-N 0 1 289.448 3.620 20 10 CHCDMN CCOCC(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825944111 1125018473 /nfs/dbraw/zinc/01/84/73/1125018473.db2.gz QETLEOQQVRMQLN-UHFFFAOYSA-N 0 1 285.815 3.506 20 10 CHCDMN Cc1ncc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000877685234 1125063046 /nfs/dbraw/zinc/06/30/46/1125063046.db2.gz QMHPUXZYPVBZHT-VIFPVBQESA-N 0 1 296.823 3.970 20 10 CHCDMN CCc1nocc1CN(C)Cc1cc(Cl)c(C)cc1O ZINC000826016877 1125120704 /nfs/dbraw/zinc/12/07/04/1125120704.db2.gz MTRIUBDDFOYEIX-UHFFFAOYSA-N 0 1 294.782 3.536 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000211489250 1125306915 /nfs/dbraw/zinc/30/69/15/1125306915.db2.gz ZWSOADYITRSEOU-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCc2ccccc2C1 ZINC000211489250 1125306918 /nfs/dbraw/zinc/30/69/18/1125306918.db2.gz ZWSOADYITRSEOU-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000717176104 1125422203 /nfs/dbraw/zinc/42/22/03/1125422203.db2.gz WZOSCJWYMOBHNK-GFCCVEGCSA-N 0 1 295.810 3.627 20 10 CHCDMN C[C@H]([NH2+]CCC(C)(C)CO)c1ccc2ccccc2c1[O-] ZINC000296475679 1129222893 /nfs/dbraw/zinc/22/28/93/1129222893.db2.gz NZPCAEAEYQWUCR-ZDUSSCGKSA-N 0 1 287.403 3.605 20 10 CHCDMN CC1=C(C)C[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000796020256 1129462833 /nfs/dbraw/zinc/46/28/33/1129462833.db2.gz KTZBAGYBPWGKIE-UHFFFAOYSA-N 0 1 251.757 3.588 20 10 CHCDMN CC1=C(C)C[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000796020256 1129462834 /nfs/dbraw/zinc/46/28/34/1129462834.db2.gz KTZBAGYBPWGKIE-UHFFFAOYSA-N 0 1 251.757 3.588 20 10 CHCDMN Cc1cc(O)c(CN2CCc3cccc(F)c3C2)cc1C ZINC000767990398 1129824807 /nfs/dbraw/zinc/82/48/07/1129824807.db2.gz ZOIPGUFYHBAZFX-UHFFFAOYSA-N 0 1 285.362 3.706 20 10 CHCDMN CCOc1ccc(C[N@H+](C)C2CCC(C)CC2)c([O-])c1 ZINC000768197822 1129843477 /nfs/dbraw/zinc/84/34/77/1129843477.db2.gz NYNZMXZDFUOZRW-UHFFFAOYSA-N 0 1 277.408 3.801 20 10 CHCDMN CCOc1ccc(C[N@@H+](C)C2CCC(C)CC2)c([O-])c1 ZINC000768197822 1129843482 /nfs/dbraw/zinc/84/34/82/1129843482.db2.gz NYNZMXZDFUOZRW-UHFFFAOYSA-N 0 1 277.408 3.801 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC000768334349 1129850642 /nfs/dbraw/zinc/85/06/42/1129850642.db2.gz FVBNUJGBLPSBDM-UHFFFAOYSA-N 0 1 298.770 3.718 20 10 CHCDMN COc1cccc(O)c1C[N@@H+](Cc1cccs1)C(C)C ZINC000768334081 1129850656 /nfs/dbraw/zinc/85/06/56/1129850656.db2.gz LFQNZHYXFDVOFE-UHFFFAOYSA-N 0 1 291.416 3.873 20 10 CHCDMN COc1cccc([O-])c1C[N@H+](CC(C)C)C1CCCC1 ZINC000768650191 1129866853 /nfs/dbraw/zinc/86/68/53/1129866853.db2.gz JDKHMHZWDLUXKS-UHFFFAOYSA-N 0 1 277.408 3.801 20 10 CHCDMN COc1cccc([O-])c1C[N@@H+](CC(C)C)C1CCCC1 ZINC000768650191 1129866858 /nfs/dbraw/zinc/86/68/58/1129866858.db2.gz JDKHMHZWDLUXKS-UHFFFAOYSA-N 0 1 277.408 3.801 20 10 CHCDMN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC000769308962 1129901065 /nfs/dbraw/zinc/90/10/65/1129901065.db2.gz DRAICISRPKBUEG-MRXNPFEDSA-N 0 1 277.408 3.801 20 10 CHCDMN CCOc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC000769308962 1129901068 /nfs/dbraw/zinc/90/10/68/1129901068.db2.gz DRAICISRPKBUEG-MRXNPFEDSA-N 0 1 277.408 3.801 20 10 CHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000769330494 1129903101 /nfs/dbraw/zinc/90/31/01/1129903101.db2.gz OMBOYXQTSSDAJI-CYBMUJFWSA-N 0 1 296.208 3.529 20 10 CHCDMN CCOc1ccc(C[N@@H+]2CCCCC[C@H]2C)c([O-])c1 ZINC000769405951 1129906632 /nfs/dbraw/zinc/90/66/32/1129906632.db2.gz ZFMZSAGPCBCSPU-CYBMUJFWSA-N 0 1 263.381 3.555 20 10 CHCDMN CCOc1ccc(C[N@H+]2CCCCC[C@H]2C)c([O-])c1 ZINC000769405951 1129906634 /nfs/dbraw/zinc/90/66/34/1129906634.db2.gz ZFMZSAGPCBCSPU-CYBMUJFWSA-N 0 1 263.381 3.555 20 10 CHCDMN CN(C)c1ccc(CN2CCc3ccsc3C2)cc1F ZINC000769433406 1129908026 /nfs/dbraw/zinc/90/80/26/1129908026.db2.gz IYUMSPMXJXQVQI-UHFFFAOYSA-N 0 1 290.407 3.512 20 10 CHCDMN C[N@@H+](CCC1CC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000770375479 1129945307 /nfs/dbraw/zinc/94/53/07/1129945307.db2.gz RPMYXROWWVNQBL-UHFFFAOYSA-N 0 1 274.191 3.931 20 10 CHCDMN CCC1(C)CC[NH+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000062954933 1129958275 /nfs/dbraw/zinc/95/82/75/1129958275.db2.gz STXOKGIZPIUJMF-UHFFFAOYSA-N 0 1 293.382 3.746 20 10 CHCDMN CC(C)[C@H](N[C@@H](C)c1cc(F)cc(F)c1O)C(F)(F)F ZINC000786983199 1130125054 /nfs/dbraw/zinc/12/50/54/1130125054.db2.gz RROUYALJDKFOSV-MADCSZMMSA-N 0 1 297.267 3.908 20 10 CHCDMN Cc1ncccc1CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000903416138 1130173622 /nfs/dbraw/zinc/17/36/22/1130173622.db2.gz QCRCPMLIUVMGJT-LBPRGKRZSA-N 0 1 290.794 3.642 20 10 CHCDMN CC[N@H+](CCC(F)(F)F)Cc1c([O-])ccc2ccncc21 ZINC000748294620 1130227982 /nfs/dbraw/zinc/22/79/82/1130227982.db2.gz AHIIZAQISMGCGL-UHFFFAOYSA-N 0 1 298.308 3.715 20 10 CHCDMN CC[N@@H+](CCC(F)(F)F)Cc1c([O-])ccc2ccncc21 ZINC000748294620 1130227985 /nfs/dbraw/zinc/22/79/85/1130227985.db2.gz AHIIZAQISMGCGL-UHFFFAOYSA-N 0 1 298.308 3.715 20 10 CHCDMN CCn1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000792184586 1130437289 /nfs/dbraw/zinc/43/72/89/1130437289.db2.gz WRTJUEREFURGLL-UHFFFAOYSA-N 0 1 296.773 3.638 20 10 CHCDMN CC[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])CCO1 ZINC001170183407 1130454509 /nfs/dbraw/zinc/45/45/09/1130454509.db2.gz RPTFBACVKUCCBC-IRXDYDNUSA-N 0 1 285.387 3.593 20 10 CHCDMN CC(C)(C)OCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000827173597 1130466889 /nfs/dbraw/zinc/46/68/89/1130466889.db2.gz YJKGESFZYHAMTG-UHFFFAOYSA-N 0 1 287.403 3.840 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000827270939 1130537691 /nfs/dbraw/zinc/53/76/91/1130537691.db2.gz HAMDWJMCWKNFKB-SNVBAGLBSA-N 0 1 289.753 3.756 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513951 1130620029 /nfs/dbraw/zinc/62/00/29/1130620029.db2.gz XGMGHWILQBKLIS-HNNXBMFYSA-N 0 1 295.785 3.949 20 10 CHCDMN CN(Cc1ccno1)Cc1cccc(-c2ccccc2)c1O ZINC001234996356 1130701189 /nfs/dbraw/zinc/70/11/89/1130701189.db2.gz BOHMGKYUCXGRHK-UHFFFAOYSA-N 0 1 294.354 3.679 20 10 CHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]2C(C)C)c1 ZINC000781924247 1130749080 /nfs/dbraw/zinc/74/90/80/1130749080.db2.gz OMJIYXSJDKIEHK-CYBMUJFWSA-N 0 1 298.224 3.693 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]2CCCC[C@@H]12 ZINC000782274316 1130767545 /nfs/dbraw/zinc/76/75/45/1130767545.db2.gz AMVMHJPMYYANNE-XUWXXGDYSA-N 0 1 296.414 3.951 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]2CCCC[C@@H]12 ZINC000782274316 1130767548 /nfs/dbraw/zinc/76/75/48/1130767548.db2.gz AMVMHJPMYYANNE-XUWXXGDYSA-N 0 1 296.414 3.951 20 10 CHCDMN CC[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cc(Cl)ccc1[O-] ZINC000783314007 1130817035 /nfs/dbraw/zinc/81/70/35/1130817035.db2.gz JFOZYXHYDOOEPG-CQSZACIVSA-N 0 1 296.842 3.571 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000797065952 1130958349 /nfs/dbraw/zinc/95/83/49/1130958349.db2.gz OBAZYIRWGQEFNA-JIMOISOXSA-N 0 1 285.840 3.838 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000797085290 1130960201 /nfs/dbraw/zinc/96/02/01/1130960201.db2.gz LNJXRIKFQAFPFF-XUJVJEKNSA-N 0 1 297.826 3.759 20 10 CHCDMN C[N@@H+](Cc1cccc2occc21)Cc1ccccc1O ZINC001236737052 1131002889 /nfs/dbraw/zinc/00/28/89/1131002889.db2.gz BMKQDKQSMHUDQZ-UHFFFAOYSA-N 0 1 267.328 3.770 20 10 CHCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001236789780 1131007662 /nfs/dbraw/zinc/00/76/62/1131007662.db2.gz JTPYKAHXMHKBMA-AOOOYVTPSA-N 0 1 286.202 3.931 20 10 CHCDMN COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1Cl ZINC001236801101 1131011884 /nfs/dbraw/zinc/01/18/84/1131011884.db2.gz FZLWMMIRPPMOBU-TXEJJXNPSA-N 0 1 295.810 3.676 20 10 CHCDMN CC[C@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236801123 1131012119 /nfs/dbraw/zinc/01/21/19/1131012119.db2.gz DDZIJPNIZQHODW-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236801123 1131012121 /nfs/dbraw/zinc/01/21/21/1131012121.db2.gz DDZIJPNIZQHODW-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN COc1ccc(C[N@H+]2CCC3(CCCC3)C2)c([O-])c1Cl ZINC001236812557 1131012559 /nfs/dbraw/zinc/01/25/59/1131012559.db2.gz YUOAOYNOLWMUCH-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN CC(C)C1([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000815647791 1131017088 /nfs/dbraw/zinc/01/70/88/1131017088.db2.gz VCJBLASTDCFKON-SNVBAGLBSA-N 0 1 298.224 3.994 20 10 CHCDMN C[C@@]1(F)CCN(Cc2cc3ccccc3cc2O)C[C@@H]1F ZINC001236827184 1131017092 /nfs/dbraw/zinc/01/70/92/1131017092.db2.gz QUHRSKCUMMJNRI-DLBZAZTESA-N 0 1 291.341 3.817 20 10 CHCDMN CCC[N@H+](Cc1ccc(OCC)cc1[O-])[C@@H](C)CC ZINC001237044703 1131038584 /nfs/dbraw/zinc/03/85/84/1131038584.db2.gz MIVOXZCEGIAVPL-ZDUSSCGKSA-N 0 1 265.397 3.801 20 10 CHCDMN CC(C)c1ccc(C[N@H+]2CCC[C@H](F)CC2)c(O)c1 ZINC001237046093 1131040040 /nfs/dbraw/zinc/04/00/40/1131040040.db2.gz PIZCDALMUPZOOU-HNNXBMFYSA-N 0 1 265.372 3.840 20 10 CHCDMN CC(C)c1ccc(C[N@@H+](CCO)Cc2ccccc2)c(O)c1 ZINC001237048742 1131041039 /nfs/dbraw/zinc/04/10/39/1131041039.db2.gz WKSZNIYFNYCSLR-UHFFFAOYSA-N 0 1 299.414 3.510 20 10 CHCDMN CC[C@H](C)[N@@H+](C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237079273 1131046796 /nfs/dbraw/zinc/04/67/96/1131046796.db2.gz JMKCHKYIDSNMMF-QMMMGPOBSA-N 0 1 262.180 3.929 20 10 CHCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237083495 1131047590 /nfs/dbraw/zinc/04/75/90/1131047590.db2.gz DPKHZVYBYAGNJQ-KCJUWKMLSA-N 0 1 272.175 3.683 20 10 CHCDMN Cc1c(CN2CCc3cccc(O)c3C2)ccc(F)c1F ZINC001237167909 1131065250 /nfs/dbraw/zinc/06/52/50/1131065250.db2.gz TYBBDFSDVPPQBR-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816485343 1131099201 /nfs/dbraw/zinc/09/92/01/1131099201.db2.gz JGAGWLAESYSWIW-VIFPVBQESA-N 0 1 283.730 3.971 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816514851 1131103210 /nfs/dbraw/zinc/10/32/10/1131103210.db2.gz JCMDRFMPRUOVTL-QWHCGFSZSA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816514851 1131103213 /nfs/dbraw/zinc/10/32/13/1131103213.db2.gz JCMDRFMPRUOVTL-QWHCGFSZSA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816514851 1131103214 /nfs/dbraw/zinc/10/32/14/1131103214.db2.gz JCMDRFMPRUOVTL-QWHCGFSZSA-N 0 1 255.361 3.776 20 10 CHCDMN CCCCOCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816529771 1131104251 /nfs/dbraw/zinc/10/42/51/1131104251.db2.gz HDDCJNLWVBUFAS-UHFFFAOYSA-N 0 1 287.403 3.842 20 10 CHCDMN C[C@@H]1CCCCN1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816535763 1131105253 /nfs/dbraw/zinc/10/52/53/1131105253.db2.gz YXIKRHUTGIQAMH-OAHLLOKOSA-N 0 1 298.430 3.509 20 10 CHCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000816564945 1131111761 /nfs/dbraw/zinc/11/17/61/1131111761.db2.gz WCUYSYDAZVUTQY-YJBOKZPZSA-N 0 1 299.414 3.528 20 10 CHCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000816564945 1131111763 /nfs/dbraw/zinc/11/17/63/1131111763.db2.gz WCUYSYDAZVUTQY-YJBOKZPZSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1F ZINC000816565052 1131111868 /nfs/dbraw/zinc/11/18/68/1131111868.db2.gz ZQNRBKWTCXKFAG-LRDDRELGSA-N 0 1 273.351 3.725 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1F ZINC000816565052 1131111869 /nfs/dbraw/zinc/11/18/69/1131111869.db2.gz ZQNRBKWTCXKFAG-LRDDRELGSA-N 0 1 273.351 3.725 20 10 CHCDMN COCCC(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816569237 1131112865 /nfs/dbraw/zinc/11/28/65/1131112865.db2.gz DDUHVHPSJGMFOR-UHFFFAOYSA-N 0 1 287.403 3.698 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@H]2CCCSC2)ccc2ccccc21 ZINC000816612713 1131115985 /nfs/dbraw/zinc/11/59/85/1131115985.db2.gz WWNQUHBTGONHRO-CYBMUJFWSA-N 0 1 287.428 3.778 20 10 CHCDMN CCC[C@@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816613159 1131116020 /nfs/dbraw/zinc/11/60/20/1131116020.db2.gz LAJRTPFIPCDPLG-LJQANCHMSA-N 0 1 299.414 3.530 20 10 CHCDMN CCC[C@@]1(CO)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816613159 1131116023 /nfs/dbraw/zinc/11/60/23/1131116023.db2.gz LAJRTPFIPCDPLG-LJQANCHMSA-N 0 1 299.414 3.530 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237618099 1131119109 /nfs/dbraw/zinc/11/91/09/1131119109.db2.gz XPDIDYGQRADDRP-JTQLQIEISA-N 0 1 271.763 3.807 20 10 CHCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CC1(C)C ZINC001237621970 1131119614 /nfs/dbraw/zinc/11/96/14/1131119614.db2.gz KBUFUJSESYJMGS-SNVBAGLBSA-N 0 1 271.763 3.663 20 10 CHCDMN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])C[C@@H]1CC1(C)C ZINC001237805859 1131143455 /nfs/dbraw/zinc/14/34/55/1131143455.db2.gz OSWSSODBVHGHNT-JTQLQIEISA-N 0 1 271.763 3.663 20 10 CHCDMN CC[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccn1 ZINC001116443918 1131146370 /nfs/dbraw/zinc/14/63/70/1131146370.db2.gz LKPHUQPYTPWIMT-UHFFFAOYSA-N 0 1 295.430 3.704 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000168862087 1131204470 /nfs/dbraw/zinc/20/44/70/1131204470.db2.gz QICPOAXNPOPSIX-PWSUYJOCSA-N 0 1 251.345 3.761 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(Br)ccc1[O-] ZINC000818358117 1131211965 /nfs/dbraw/zinc/21/19/65/1131211965.db2.gz CXSGYCGPVYASIQ-MWGHHZFTSA-N 0 1 296.208 3.604 20 10 CHCDMN Cc1cc(CN2CC[C@H](F)C2)c(C)n1-c1ccccc1 ZINC001137854024 1131424252 /nfs/dbraw/zinc/42/42/52/1131424252.db2.gz FMWFZYSEOWQUIS-INIZCTEOSA-N 0 1 272.367 3.638 20 10 CHCDMN Cc1cc(CN2CC[C@@H](F)C2)ccc1N1CCCCC1 ZINC000830480489 1131458648 /nfs/dbraw/zinc/45/86/48/1131458648.db2.gz QQMDUFXLXGFQEX-MRXNPFEDSA-N 0 1 276.399 3.529 20 10 CHCDMN Cc1cc(O)c(CN(C)Cc2ccco2)cc1Cl ZINC000824522479 1131472351 /nfs/dbraw/zinc/47/23/51/1131472351.db2.gz PDGCXFFINNDBAJ-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)F ZINC000824509362 1131473522 /nfs/dbraw/zinc/47/35/22/1131473522.db2.gz LZSODJTVCBFMLE-VIFPVBQESA-N 0 1 284.133 3.832 20 10 CHCDMN CC[N@@H+](Cc1ccc(Br)cc1O)C1CCC1 ZINC000824851054 1131486533 /nfs/dbraw/zinc/48/65/33/1131486533.db2.gz RUZKZVNTTDBJGT-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN CC[N@H+](Cc1ccc(Br)cc1[O-])C1CCC1 ZINC000824851054 1131486535 /nfs/dbraw/zinc/48/65/35/1131486535.db2.gz RUZKZVNTTDBJGT-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN CC[N@@H+](Cc1ccc(Br)cc1[O-])C1CCC1 ZINC000824851054 1131486538 /nfs/dbraw/zinc/48/65/38/1131486538.db2.gz RUZKZVNTTDBJGT-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN Cc1cnc([C@@H](C)NCc2cc(Cl)c(C)cc2O)s1 ZINC000825330860 1131507867 /nfs/dbraw/zinc/50/78/67/1131507867.db2.gz FGIVQEMESPLKNY-SNVBAGLBSA-N 0 1 296.823 3.970 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC(F)(F)C2)cc1Cl ZINC000825357474 1131508266 /nfs/dbraw/zinc/50/82/66/1131508266.db2.gz FXBKMSMAOVSUOZ-JTQLQIEISA-N 0 1 275.726 3.631 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1Cl ZINC000825501307 1131513477 /nfs/dbraw/zinc/51/34/77/1131513477.db2.gz ODNGLMJKRRLTDD-LBPRGKRZSA-N 0 1 290.794 3.942 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)c2ccncc2)cc1Cl ZINC000825501307 1131513479 /nfs/dbraw/zinc/51/34/79/1131513479.db2.gz ODNGLMJKRRLTDD-LBPRGKRZSA-N 0 1 290.794 3.942 20 10 CHCDMN C[N@@H+](CCCc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139683847 1131629430 /nfs/dbraw/zinc/62/94/30/1131629430.db2.gz NFSMFTKGGBCNPQ-UHFFFAOYSA-N 0 1 291.341 3.735 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)C2(CC2)C1 ZINC001140103530 1131664602 /nfs/dbraw/zinc/66/46/02/1131664602.db2.gz NRFUZKIQNSHTLW-JTQLQIEISA-N 0 1 296.208 3.529 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)C2(CC2)C1 ZINC001140103530 1131664603 /nfs/dbraw/zinc/66/46/03/1131664603.db2.gz NRFUZKIQNSHTLW-JTQLQIEISA-N 0 1 296.208 3.529 20 10 CHCDMN Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1C ZINC000846058821 1131679377 /nfs/dbraw/zinc/67/93/77/1131679377.db2.gz UXZVASSJVBAOFP-UHFFFAOYSA-N 0 1 275.779 3.952 20 10 CHCDMN CC1=CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000846055782 1131685726 /nfs/dbraw/zinc/68/57/26/1131685726.db2.gz NSKZBBLNXSRKHT-ZDUSSCGKSA-N 0 1 251.757 3.634 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)ccc2ccccc21 ZINC000846115988 1131688152 /nfs/dbraw/zinc/68/81/52/1131688152.db2.gz CTHKDWYYYCDPQW-INIZCTEOSA-N 0 1 289.325 3.777 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc2ccccc21 ZINC000846115988 1131688155 /nfs/dbraw/zinc/68/81/55/1131688155.db2.gz CTHKDWYYYCDPQW-INIZCTEOSA-N 0 1 289.325 3.777 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846104606 1131690708 /nfs/dbraw/zinc/69/07/08/1131690708.db2.gz JOIGZNDPFISRSP-CYBMUJFWSA-N 0 1 287.737 3.667 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140337738 1131702855 /nfs/dbraw/zinc/70/28/55/1131702855.db2.gz BQUKOBPVGLJVDD-AOOOYVTPSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140337738 1131702858 /nfs/dbraw/zinc/70/28/58/1131702858.db2.gz BQUKOBPVGLJVDD-AOOOYVTPSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001140341510 1131703384 /nfs/dbraw/zinc/70/33/84/1131703384.db2.gz SATIVZHQRPWNDB-VIFPVBQESA-N 0 1 275.726 3.523 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001140341510 1131703385 /nfs/dbraw/zinc/70/33/85/1131703385.db2.gz SATIVZHQRPWNDB-VIFPVBQESA-N 0 1 275.726 3.523 20 10 CHCDMN Cc1ccc(C[N@@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC001140345500 1131704642 /nfs/dbraw/zinc/70/46/42/1131704642.db2.gz VLHABVFZGDDZJK-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC001140345500 1131704643 /nfs/dbraw/zinc/70/46/43/1131704643.db2.gz VLHABVFZGDDZJK-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN COC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCCC1 ZINC000834814084 1131707761 /nfs/dbraw/zinc/70/77/61/1131707761.db2.gz DUUMMAYORQTVCY-NSHDSACASA-N 0 1 283.799 3.655 20 10 CHCDMN C[C@H](N[C@@H]1CCn2ccnc21)c1ccc2ccccc2c1O ZINC000834832811 1131710245 /nfs/dbraw/zinc/71/02/45/1131710245.db2.gz RNPDTSYTIKDVIZ-BLLLJJGKSA-N 0 1 293.370 3.538 20 10 CHCDMN CC[C@H](NCc1nccn1CC)c1cc(Cl)ccc1O ZINC000834878425 1131717001 /nfs/dbraw/zinc/71/70/01/1131717001.db2.gz CPAZVKMYXROWGE-ZDUSSCGKSA-N 0 1 293.798 3.503 20 10 CHCDMN CC[C@H]([NH2+]Cc1nccn1CC)c1cc(Cl)ccc1[O-] ZINC000834878425 1131717005 /nfs/dbraw/zinc/71/70/05/1131717005.db2.gz CPAZVKMYXROWGE-ZDUSSCGKSA-N 0 1 293.798 3.503 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)c1cc(Cl)ccc1[O-] ZINC000834886441 1131718881 /nfs/dbraw/zinc/71/88/81/1131718881.db2.gz LDYIXWWCCLWTPY-UMVBOHGHSA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1ccncc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834887300 1131719358 /nfs/dbraw/zinc/71/93/58/1131719358.db2.gz RVNBJVSKEKDGJB-NSHDSACASA-N 0 1 276.767 3.600 20 10 CHCDMN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cc(Cl)ccc1O ZINC000834892698 1131719531 /nfs/dbraw/zinc/71/95/31/1131719531.db2.gz CSHULWRKEPQQRS-NRUUGDAUSA-N 0 1 291.782 3.599 20 10 CHCDMN C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CCC1(F)F ZINC001140461380 1131747107 /nfs/dbraw/zinc/74/71/07/1131747107.db2.gz JZEDKQGAGFKOLS-VIFPVBQESA-N 0 1 275.726 3.523 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CCC1(F)F ZINC001140461380 1131747111 /nfs/dbraw/zinc/74/71/11/1131747111.db2.gz JZEDKQGAGFKOLS-VIFPVBQESA-N 0 1 275.726 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC12CCCC2 ZINC001140462994 1131749091 /nfs/dbraw/zinc/74/90/91/1131749091.db2.gz RHMIDOCFRFWNDP-UHFFFAOYSA-N 0 1 251.757 3.564 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC12CCCC2 ZINC001140462994 1131749095 /nfs/dbraw/zinc/74/90/95/1131749095.db2.gz RHMIDOCFRFWNDP-UHFFFAOYSA-N 0 1 251.757 3.564 20 10 CHCDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CC1(C)C ZINC001171285839 1131799462 /nfs/dbraw/zinc/79/94/62/1131799462.db2.gz CWORXNIEAJNQLX-CABCVRRESA-N 0 1 293.382 3.648 20 10 CHCDMN Cc1ccc(CC[N@H+](C)Cc2c([O-])cc(F)cc2F)cc1 ZINC001140583693 1131808521 /nfs/dbraw/zinc/80/85/21/1131808521.db2.gz QXHDZEZNLCHKNR-UHFFFAOYSA-N 0 1 291.341 3.653 20 10 CHCDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140584537 1131810838 /nfs/dbraw/zinc/81/08/38/1131810838.db2.gz WCGVDMXGMYWWTR-LLVKDONJSA-N 0 1 289.325 3.617 20 10 CHCDMN Cc1c[nH]c(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001140859595 1131949170 /nfs/dbraw/zinc/94/91/70/1131949170.db2.gz BFPOQEJKCJWJGQ-UHFFFAOYSA-N 0 1 297.446 3.864 20 10 CHCDMN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccns1 ZINC000715897691 1131995147 /nfs/dbraw/zinc/99/51/47/1131995147.db2.gz DAFCMDSWWVZZIF-RYUDHWBXSA-N 0 1 275.421 3.621 20 10 CHCDMN CC[N@@H+](Cc1ccccc1O)[C@H]1Cc2cccc(F)c2C1 ZINC001171807591 1132104254 /nfs/dbraw/zinc/10/42/54/1132104254.db2.gz VIJRBWORBAVXRA-HNNXBMFYSA-N 0 1 285.362 3.521 20 10 CHCDMN Oc1ccc(Br)cc1CN1CC2(C1)CCCC2 ZINC000839104116 1132181732 /nfs/dbraw/zinc/18/17/32/1132181732.db2.gz HGJLIMQACBGVLD-UHFFFAOYSA-N 0 1 296.208 3.531 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000840187172 1132249375 /nfs/dbraw/zinc/24/93/75/1132249375.db2.gz ACFOLSZCFIFSGA-OAHLLOKOSA-N 0 1 282.387 3.562 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000840187172 1132249379 /nfs/dbraw/zinc/24/93/79/1132249379.db2.gz ACFOLSZCFIFSGA-OAHLLOKOSA-N 0 1 282.387 3.562 20 10 CHCDMN CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C12CCC2 ZINC000840807285 1132290759 /nfs/dbraw/zinc/29/07/59/1132290759.db2.gz SCCZATCKSRTBJJ-WKPIXPDZSA-N 0 1 295.810 3.654 20 10 CHCDMN CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231449382 1132296692 /nfs/dbraw/zinc/29/66/92/1132296692.db2.gz YJCGYGYZKCKGGV-UHFFFAOYSA-N 0 1 299.370 3.501 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccccc2C)c(Cl)c1 ZINC000840876337 1132299917 /nfs/dbraw/zinc/29/99/17/1132299917.db2.gz MBXFWDQASJTYKX-UHFFFAOYSA-N 0 1 275.779 3.952 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC2(F)F)c(Cl)c1 ZINC000840951302 1132311860 /nfs/dbraw/zinc/31/18/60/1132311860.db2.gz VVMWFEJZMYSKQH-SNVBAGLBSA-N 0 1 289.753 3.879 20 10 CHCDMN Cc1cc(O)c(CN2CCC(F)(F)CC2)c(Cl)c1 ZINC000840941047 1132311939 /nfs/dbraw/zinc/31/19/39/1132311939.db2.gz OSPXYADHHYBVLW-UHFFFAOYSA-N 0 1 275.726 3.585 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2CCC(F)(F)CC2)c(Cl)c1 ZINC000840941047 1132311943 /nfs/dbraw/zinc/31/19/43/1132311943.db2.gz OSPXYADHHYBVLW-UHFFFAOYSA-N 0 1 275.726 3.585 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000840942019 1132312572 /nfs/dbraw/zinc/31/25/72/1132312572.db2.gz ZEYBEZKYTLGRHO-JTQLQIEISA-N 0 1 289.753 3.879 20 10 CHCDMN Cc1cccc(CN(CC(=O)c2ccccc2)C(C)C)c1O ZINC001231594134 1132321383 /nfs/dbraw/zinc/32/13/83/1132321383.db2.gz SZPNQUVYGQWPPE-UHFFFAOYSA-N 0 1 297.398 3.794 20 10 CHCDMN Cc1cc(C)c(CN2Cc3ccc(F)cc3C2)c(O)c1 ZINC001231846517 1132378340 /nfs/dbraw/zinc/37/83/40/1132378340.db2.gz NHWQXKYWWNEUHU-UHFFFAOYSA-N 0 1 271.335 3.664 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@](C)(CF)C2)cc1Cl ZINC001231867142 1132380526 /nfs/dbraw/zinc/38/05/26/1132380526.db2.gz HVYDFIQSERKOSS-AWEZNQCLSA-N 0 1 271.763 3.536 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@](C)(CF)C2)cc1Cl ZINC001231867142 1132380530 /nfs/dbraw/zinc/38/05/30/1132380530.db2.gz HVYDFIQSERKOSS-AWEZNQCLSA-N 0 1 271.763 3.536 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(F)F)C2)cc1Cl ZINC001231870850 1132382939 /nfs/dbraw/zinc/38/29/39/1132382939.db2.gz VFSWXWWGDMLORH-JTQLQIEISA-N 0 1 289.753 3.831 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(F)F)C2)cc1Cl ZINC001231870850 1132382946 /nfs/dbraw/zinc/38/29/46/1132382946.db2.gz VFSWXWWGDMLORH-JTQLQIEISA-N 0 1 289.753 3.831 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1Cl ZINC001231871110 1132383316 /nfs/dbraw/zinc/38/33/16/1132383316.db2.gz YKNOIQRRYBBWSE-CMPLNLGQSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@H]2C)cc1Cl ZINC001231871110 1132383323 /nfs/dbraw/zinc/38/33/23/1132383323.db2.gz YKNOIQRRYBBWSE-CMPLNLGQSA-N 0 1 267.800 3.974 20 10 CHCDMN CCCOC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001231883136 1132389014 /nfs/dbraw/zinc/38/90/14/1132389014.db2.gz ZLUBWWUGTDVQNL-UHFFFAOYSA-N 0 1 299.414 3.936 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)ccc2ccccc21 ZINC001231883781 1132389435 /nfs/dbraw/zinc/38/94/35/1132389435.db2.gz UJHJOSCGARIWFN-CJNGLKHVSA-N 0 1 253.345 3.530 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC[C@@H]3C[C@@H]32)ccc2ccccc21 ZINC001231883781 1132389444 /nfs/dbraw/zinc/38/94/44/1132389444.db2.gz UJHJOSCGARIWFN-CJNGLKHVSA-N 0 1 253.345 3.530 20 10 CHCDMN C[C@H]1CCN(Cc2cccc(Cl)c2O)CC1(F)F ZINC001231911019 1132390128 /nfs/dbraw/zinc/39/01/28/1132390128.db2.gz YQXAVIBMDBFWBP-VIFPVBQESA-N 0 1 275.726 3.523 20 10 CHCDMN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc2ccccc2c1O ZINC001231880334 1132390881 /nfs/dbraw/zinc/39/08/81/1132390881.db2.gz BZRXARAILQTGPW-IYBDPMFKSA-N 0 1 295.382 3.631 20 10 CHCDMN CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)(C)C ZINC000841756178 1132391606 /nfs/dbraw/zinc/39/16/06/1132391606.db2.gz USXCGUDSGUMFEM-IINYFYTJSA-N 0 1 285.815 3.757 20 10 CHCDMN [O-]c1c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)ccc2ccccc21 ZINC001231880953 1132392199 /nfs/dbraw/zinc/39/21/99/1132392199.db2.gz OYSWQLSCRMTYCC-SWLSCSKDSA-N 0 1 253.345 3.530 20 10 CHCDMN [O-]c1c(C[N@H+]2C[C@H]3CC[C@@H]2C3)ccc2ccccc21 ZINC001231880953 1132392206 /nfs/dbraw/zinc/39/22/06/1132392206.db2.gz OYSWQLSCRMTYCC-SWLSCSKDSA-N 0 1 253.345 3.530 20 10 CHCDMN CC[C@](C)(C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])OC ZINC000841759015 1132393498 /nfs/dbraw/zinc/39/34/98/1132393498.db2.gz WXEKQMWKJXHUQM-QMTHXVAHSA-N 0 1 271.788 3.511 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001231909384 1132398915 /nfs/dbraw/zinc/39/89/15/1132398915.db2.gz LBGPGPONHVDFMK-NSHDSACASA-N 0 1 293.716 3.615 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001231909383 1132399319 /nfs/dbraw/zinc/39/93/19/1132399319.db2.gz LBGPGPONHVDFMK-LLVKDONJSA-N 0 1 293.716 3.615 20 10 CHCDMN [O-]c1cc(O)c(C[N@@H+]2CCCC3(CCCC3)C2)cc1Cl ZINC001232258970 1132444913 /nfs/dbraw/zinc/44/49/13/1132444913.db2.gz 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C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cc(Cl)ccc1[O-] ZINC000185534247 262059126 /nfs/dbraw/zinc/05/91/26/262059126.db2.gz KQRHFUGRCSJOEH-QFEPDWEUSA-N 0 1 295.810 3.510 20 10 CHCDMN C[C@@H]([NH2+]CCCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000186140583 262080809 /nfs/dbraw/zinc/08/08/09/262080809.db2.gz HSEPBPUFEPTIFA-GFCCVEGCSA-N 0 1 290.794 3.724 20 10 CHCDMN COCCC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000186133907 262081338 /nfs/dbraw/zinc/08/13/38/262081338.db2.gz PESLXTRHDXQREW-LLVKDONJSA-N 0 1 283.799 3.513 20 10 CHCDMN C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186519426 262096345 /nfs/dbraw/zinc/09/63/45/262096345.db2.gz QSZKQLBNYLOJNH-LNMOPNHASA-N 0 1 285.387 3.523 20 10 CHCDMN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000230664216 333320038 /nfs/dbraw/zinc/32/00/38/333320038.db2.gz SVLDXMFOWJHGCX-SUMWQHHRSA-N 0 1 287.403 3.603 20 10 CHCDMN C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000230669755 333320328 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[O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000689882082 1120436257 /nfs/dbraw/zinc/43/62/57/1120436257.db2.gz MDZMFWIIDATQAV-NSHDSACASA-N 0 1 271.763 3.617 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C2(C)CC(F)(F)C2)cc1Cl ZINC000877833283 1121755292 /nfs/dbraw/zinc/75/52/92/1121755292.db2.gz FKTQNCCTTZBFTP-UHFFFAOYSA-N 0 1 275.726 3.631 20 10 CHCDMN C[C@H]([NH2+]CC1CCSCC1)c1cc(Cl)ccc1[O-] ZINC000273359608 1122230339 /nfs/dbraw/zinc/23/03/39/1122230339.db2.gz AFMDAMZIXLPNDN-JTQLQIEISA-N 0 1 285.840 3.839 20 10 CHCDMN CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503160 1122630644 /nfs/dbraw/zinc/63/06/44/1122630644.db2.gz CTLRWNNUFFIVTQ-ZBFHGGJFSA-N 0 1 299.842 3.883 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC2CCSCC2)cc1Cl ZINC000825260273 1131504501 /nfs/dbraw/zinc/50/45/01/1131504501.db2.gz OPXGOCYKAVRNBJ-UHFFFAOYSA-N 0 1 285.840 3.587 20 10 CHCDMN C[C@@]1(CC[NH2+]Cc2cc(Cl)ccc2[O-])C[C@@]1(F)Cl ZINC000846036670 1131681906 /nfs/dbraw/zinc/68/19/06/1131681906.db2.gz NLYIBLYLXULRMR-OLZOCXBDSA-N 0 1 292.181 3.840 20 10 CHCDMN C[C@]1(CF)CC(F)(F)CN1Cc1cccc(Cl)c1O ZINC001231910992 1132399629 /nfs/dbraw/zinc/39/96/29/1132399629.db2.gz XWISXUIIAYYPFA-GFCCVEGCSA-N 0 1 293.716 3.615 20 10 CHCDMN CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001173278293 1132453382 /nfs/dbraw/zinc/45/33/82/1132453382.db2.gz YTYWOGIOTCJFQE-GXFFZTMASA-N 0 1 298.224 3.823 20 10 CHCDMN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000133736688 1132604662 /nfs/dbraw/zinc/60/46/62/1132604662.db2.gz SGLNQFCQLWLWRT-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000133736688 1132604670 /nfs/dbraw/zinc/60/46/70/1132604670.db2.gz SGLNQFCQLWLWRT-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001203657424 1133349831 /nfs/dbraw/zinc/34/98/31/1133349831.db2.gz KWPGIFOOWDZPCE-VIFPVBQESA-N 0 1 275.726 3.523 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001203657424 1133349826 /nfs/dbraw/zinc/34/98/26/1133349826.db2.gz KWPGIFOOWDZPCE-VIFPVBQESA-N 0 1 275.726 3.523 20 10 CHCDMN C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743613 1125568594 /nfs/dbraw/zinc/56/85/94/1125568594.db2.gz IRSLPNZIVHZYNZ-MNOVXSKESA-N 0 1 279.767 3.920 20 10 CHCDMN CCOc1cccc(C[N@H+]2CCCCC[C@@H]2CC)c1O ZINC000135644535 1125593961 /nfs/dbraw/zinc/59/39/61/1125593961.db2.gz BNLKLFHULVBCKF-HNNXBMFYSA-N 0 1 277.408 3.946 20 10 CHCDMN Cc1coc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000886070766 1125645215 /nfs/dbraw/zinc/64/52/15/1125645215.db2.gz XDAKXLPATWDHLB-CYBMUJFWSA-N 0 1 258.365 3.505 20 10 CHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792165740 1130434949 /nfs/dbraw/zinc/43/49/49/1130434949.db2.gz KUOCDJIFMPFWRE-SECBINFHSA-N 0 1 291.819 3.758 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])o1 ZINC000179568588 1126830034 /nfs/dbraw/zinc/83/00/34/1126830034.db2.gz WXRUWBZQIHHKRL-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN CCc1cnc(C[N@H+](C)Cc2cccc(Cl)c2[O-])s1 ZINC000180559109 1126846357 /nfs/dbraw/zinc/84/63/57/1126846357.db2.gz HGYSCEMDTFQOBX-UHFFFAOYSA-N 0 1 296.823 3.697 20 10 CHCDMN CCc1cnc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])s1 ZINC000180559109 1126846361 /nfs/dbraw/zinc/84/63/61/1126846361.db2.gz HGYSCEMDTFQOBX-UHFFFAOYSA-N 0 1 296.823 3.697 20 10 CHCDMN CCc1cnc(CN(C)Cc2cccc(Cl)c2O)s1 ZINC000180559109 1126846364 /nfs/dbraw/zinc/84/63/64/1126846364.db2.gz HGYSCEMDTFQOBX-UHFFFAOYSA-N 0 1 296.823 3.697 20 10 CHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]2C(C)C)c1 ZINC000781924248 1130748961 /nfs/dbraw/zinc/74/89/61/1130748961.db2.gz OMJIYXSJDKIEHK-ZDUSSCGKSA-N 0 1 298.224 3.693 20 10 CHCDMN Cc1cccc(CN2CCC(C)=C(Br)C2)c1O ZINC000797604156 1130994614 /nfs/dbraw/zinc/99/46/14/1130994614.db2.gz AGZWTMZGVGDCLK-UHFFFAOYSA-N 0 1 296.208 3.575 20 10 CHCDMN CCC[N@@H+](Cc1c(C)cc(OC)cc1[O-])[C@@H](C)CC ZINC001236819528 1131014902 /nfs/dbraw/zinc/01/49/02/1131014902.db2.gz VZQYYSNGAJCQOO-ZDUSSCGKSA-N 0 1 265.397 3.720 20 10 CHCDMN COc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c([O-])c1Cl ZINC001236806537 1131012023 /nfs/dbraw/zinc/01/20/23/1131012023.db2.gz YBEXMRIPGVNWOW-PHIMTYICSA-N 0 1 283.799 3.817 20 10 CHCDMN Cc1cc(O)c(C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1C ZINC000913064362 1127120816 /nfs/dbraw/zinc/12/08/16/1127120816.db2.gz PZKMXZCYQQQLJE-UHFFFAOYSA-N 0 1 291.341 3.919 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)C2(CC2)C1 ZINC001237127631 1131054012 /nfs/dbraw/zinc/05/40/12/1131054012.db2.gz DOOFEKLBPXGNKV-SECBINFHSA-N 0 1 269.747 3.559 20 10 CHCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc(F)c2Cl)C2(CC2)C1 ZINC001237127631 1131054018 /nfs/dbraw/zinc/05/40/18/1131054018.db2.gz DOOFEKLBPXGNKV-SECBINFHSA-N 0 1 269.747 3.559 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(F)c2Cl)C2(CC2)C1 ZINC001237127631 1131054025 /nfs/dbraw/zinc/05/40/25/1131054025.db2.gz DOOFEKLBPXGNKV-SECBINFHSA-N 0 1 269.747 3.559 20 10 CHCDMN Oc1cc(F)c(Cl)cc1CN1CCCC[C@@H]1C(F)F ZINC000816600234 1131115039 /nfs/dbraw/zinc/11/50/39/1131115039.db2.gz PRQHIJCTYULOOJ-LLVKDONJSA-N 0 1 293.716 3.804 20 10 CHCDMN Cc1ccoc1C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816617002 1131115773 /nfs/dbraw/zinc/11/57/73/1131115773.db2.gz LRRQYDXYQCLKSU-UHFFFAOYSA-N 0 1 283.730 3.718 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC001237619746 1131118247 /nfs/dbraw/zinc/11/82/47/1131118247.db2.gz DHGGESMSJXGKLH-NXEZZACHSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C2(CC2)C1 ZINC001237939810 1131154157 /nfs/dbraw/zinc/15/41/57/1131154157.db2.gz GHNVLNZZBSUEFV-VIFPVBQESA-N 0 1 269.747 3.559 20 10 CHCDMN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000226584478 1127412594 /nfs/dbraw/zinc/41/25/94/1127412594.db2.gz BGCBMMGPNWBCHE-UHFFFAOYSA-N 0 1 273.351 3.599 20 10 CHCDMN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000293678739 1127512420 /nfs/dbraw/zinc/51/24/20/1127512420.db2.gz NBQNIBYHFMFXAZ-MRVPVSSYSA-N 0 1 275.726 3.742 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2occc2C)cc1 ZINC000293694306 1127512979 /nfs/dbraw/zinc/51/29/79/1127512979.db2.gz NYIGJANEQUZDPO-CQSZACIVSA-N 0 1 272.392 3.895 20 10 CHCDMN CCN(Cc1ccoc1)Cc1cc(Cl)cc(OC)c1O ZINC000761194348 1127517601 /nfs/dbraw/zinc/51/76/01/1127517601.db2.gz ZFCPERWQNRDAQD-UHFFFAOYSA-N 0 1 295.766 3.669 20 10 CHCDMN Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228172128 1127535733 /nfs/dbraw/zinc/53/57/33/1127535733.db2.gz MTUKZRQVZJZBKJ-SMDDNHRTSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228172128 1127535736 /nfs/dbraw/zinc/53/57/36/1127535736.db2.gz MTUKZRQVZJZBKJ-SMDDNHRTSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228172128 1127535739 /nfs/dbraw/zinc/53/57/39/1127535739.db2.gz MTUKZRQVZJZBKJ-SMDDNHRTSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1cc(O)c(C[NH+]2CCC3(CCC3)CC2)cc1Cl ZINC001232259974 1127650887 /nfs/dbraw/zinc/65/08/87/1127650887.db2.gz OCQIEJGSMJDQRF-UHFFFAOYSA-N 0 1 281.783 3.517 20 10 CHCDMN C[C@H]([NH2+]CC1(C)CC1)c1ccc2ccccc2c1[O-] ZINC000230668019 1127770939 /nfs/dbraw/zinc/77/09/39/1127770939.db2.gz TVBBUVGLIRLKOB-LBPRGKRZSA-N 0 1 255.361 3.996 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000375020789 1127925246 /nfs/dbraw/zinc/92/52/46/1127925246.db2.gz NOTQJYQPRIBWTB-LBPRGKRZSA-N 0 1 294.807 3.839 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000375020789 1127925248 /nfs/dbraw/zinc/92/52/48/1127925248.db2.gz NOTQJYQPRIBWTB-LBPRGKRZSA-N 0 1 294.807 3.839 20 10 CHCDMN C[C@@H]([N@H+](C)Cc1c([O-])ccc2ccncc21)C(C)(C)C ZINC000914569538 1128211332 /nfs/dbraw/zinc/21/13/32/1128211332.db2.gz XMNNAIPQNKABCT-GFCCVEGCSA-N 0 1 272.392 3.807 20 10 CHCDMN C[C@@H]([N@@H+](C)Cc1c([O-])ccc2ccncc21)C(C)(C)C ZINC000914569538 1128211336 /nfs/dbraw/zinc/21/13/36/1128211336.db2.gz XMNNAIPQNKABCT-GFCCVEGCSA-N 0 1 272.392 3.807 20 10 CHCDMN C[C@H]([NH2+]C1Cc2ccccc2C1)c1cc(Cl)ccc1[O-] ZINC000762784778 1128317892 /nfs/dbraw/zinc/31/78/92/1128317892.db2.gz ZEGWSGPJWNSRMZ-NSHDSACASA-N 0 1 287.790 3.864 20 10 CHCDMN COc1ccc(CNCc2ccc3ccccc3n2)cc1C ZINC000921065338 1128699728 /nfs/dbraw/zinc/69/97/28/1128699728.db2.gz CYEGGRYQTPYFAZ-UHFFFAOYSA-N 0 1 292.382 3.842 20 10 CHCDMN C[C@@H](NCc1cscn1)c1cc2c(cc1O)CCCC2 ZINC000185246626 1117796005 /nfs/dbraw/zinc/79/60/05/1117796005.db2.gz PYUJMZCXOVCLCF-LLVKDONJSA-N 0 1 288.416 3.578 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1F ZINC000779148040 1128751482 /nfs/dbraw/zinc/75/14/82/1128751482.db2.gz FKQAWCYFRPJBAE-QPUJVOFHSA-N 0 1 292.181 3.879 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1F ZINC000779148040 1128751485 /nfs/dbraw/zinc/75/14/85/1128751485.db2.gz FKQAWCYFRPJBAE-QPUJVOFHSA-N 0 1 292.181 3.879 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000211526890 1118072121 /nfs/dbraw/zinc/07/21/21/1118072121.db2.gz OUYJVIKGTWFAEU-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000211526890 1118072125 /nfs/dbraw/zinc/07/21/25/1118072125.db2.gz OUYJVIKGTWFAEU-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000211526890 1118072130 /nfs/dbraw/zinc/07/21/30/1118072130.db2.gz OUYJVIKGTWFAEU-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN Cc1cc(CN2CCO[C@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000765098297 1118134964 /nfs/dbraw/zinc/13/49/64/1118134964.db2.gz GITHWOWKYGYYHN-UONOGXRCSA-N 0 1 291.435 3.607 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCSCC(C)C)c(Cl)c1 ZINC001650905240 1118197300 /nfs/dbraw/zinc/19/73/00/1118197300.db2.gz AACCWGQMSHSUFC-UHFFFAOYSA-N 0 1 287.856 3.833 20 10 CHCDMN Cc1nnsc1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000293751074 1118447699 /nfs/dbraw/zinc/44/76/99/1118447699.db2.gz RINBKSOHWGVSIP-SNVBAGLBSA-N 0 1 299.399 3.556 20 10 CHCDMN CC[C@H]([NH2+]C1CCC1)c1cc(Br)ccc1[O-] ZINC000052207263 1118448942 /nfs/dbraw/zinc/44/89/42/1118448942.db2.gz SFAJYWGIOFNKEZ-LBPRGKRZSA-N 0 1 284.197 3.748 20 10 CHCDMN CC(C)[N@H+](Cc1ccc(F)c(F)c1[O-])CC1CCC1 ZINC001657931892 1118460092 /nfs/dbraw/zinc/46/00/92/1118460092.db2.gz QTJIFQDGZXKZDS-UHFFFAOYSA-N 0 1 269.335 3.681 20 10 CHCDMN CC1(C)CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706834290 1118548872 /nfs/dbraw/zinc/54/88/72/1118548872.db2.gz UCDORHFGLIQWLZ-JTQLQIEISA-N 0 1 298.224 3.823 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000307882213 1118549689 /nfs/dbraw/zinc/54/96/89/1118549689.db2.gz SINPGQQCGFBILL-UHFFFAOYSA-N 0 1 275.726 3.523 20 10 CHCDMN C[C@H]1CCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706847071 1118553208 /nfs/dbraw/zinc/55/32/08/1118553208.db2.gz VFDUJDUGCHTQQM-WDEREUQCSA-N 0 1 298.224 3.681 20 10 CHCDMN Oc1ccccc1CN(Cc1nccs1)C1CCCC1 ZINC000749513253 1118573380 /nfs/dbraw/zinc/57/33/80/1118573380.db2.gz AYAXVHMFHAZVJK-UHFFFAOYSA-N 0 1 288.416 3.794 20 10 CHCDMN CC[C@H]([NH2+]Cc1cnccc1C)c1cc(Cl)ccc1[O-] ZINC000834887870 1118611664 /nfs/dbraw/zinc/61/16/64/1118611664.db2.gz XVMFKFJPVJEVHC-HNNXBMFYSA-N 0 1 290.794 3.990 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000834895362 1118614166 /nfs/dbraw/zinc/61/41/66/1118614166.db2.gz BANLWBSYWOJBDX-DFBGVHRSSA-N 0 1 297.826 3.637 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)[C@H]1C ZINC000707147313 1118648107 /nfs/dbraw/zinc/64/81/07/1118648107.db2.gz YHBHIUDHHFLRGD-MNOVXSKESA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)[C@H]1C ZINC000707147313 1118648109 /nfs/dbraw/zinc/64/81/09/1118648109.db2.gz YHBHIUDHHFLRGD-MNOVXSKESA-N 0 1 298.224 3.775 20 10 CHCDMN CC1(C)CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000707147299 1118648438 /nfs/dbraw/zinc/64/84/38/1118648438.db2.gz XVFUUFNXWNDVDF-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN CC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707141273 1118648838 /nfs/dbraw/zinc/64/88/38/1118648838.db2.gz XFUNLARYAOMVIS-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707141273 1118648840 /nfs/dbraw/zinc/64/88/40/1118648840.db2.gz XFUNLARYAOMVIS-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001140583402 1119151801 /nfs/dbraw/zinc/15/18/01/1119151801.db2.gz FFTWVXNLMWOGGW-OAHLLOKOSA-N 0 1 275.298 3.617 20 10 CHCDMN C[C@H]([NH2+]Cc1ccoc1)c1ccc2ccccc2c1[O-] ZINC000168737578 1119473566 /nfs/dbraw/zinc/47/35/66/1119473566.db2.gz BGCKPCFTPRVPSI-LBPRGKRZSA-N 0 1 267.328 3.989 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000309587832 1119522771 /nfs/dbraw/zinc/52/27/71/1119522771.db2.gz SQJNWIPLYVMSRD-VDDIYKPWSA-N 0 1 284.197 3.604 20 10 CHCDMN Oc1ccccc1CN(Cc1ccc(F)cc1F)C1CC1 ZINC000179556785 1119751372 /nfs/dbraw/zinc/75/13/72/1119751372.db2.gz DWNYFVWOIKCPRX-UHFFFAOYSA-N 0 1 289.325 3.835 20 10 CHCDMN Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179706600 1119758016 /nfs/dbraw/zinc/75/80/16/1119758016.db2.gz SCAZZNKMYDKYGS-HNNXBMFYSA-N 0 1 290.794 3.721 20 10 CHCDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179706600 1119758019 /nfs/dbraw/zinc/75/80/19/1119758019.db2.gz SCAZZNKMYDKYGS-HNNXBMFYSA-N 0 1 290.794 3.721 20 10 CHCDMN CCC1(CC)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000094806046 1120167119 /nfs/dbraw/zinc/16/71/19/1120167119.db2.gz JFFGNKLDBINACC-UHFFFAOYSA-N 0 1 293.382 3.746 20 10 CHCDMN CCC1(CC)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000094806046 1120167122 /nfs/dbraw/zinc/16/71/22/1120167122.db2.gz JFFGNKLDBINACC-UHFFFAOYSA-N 0 1 293.382 3.746 20 10 CHCDMN CCC1(CC)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000094806046 1120167124 /nfs/dbraw/zinc/16/71/24/1120167124.db2.gz JFFGNKLDBINACC-UHFFFAOYSA-N 0 1 293.382 3.746 20 10 CHCDMN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000312026335 1120255445 /nfs/dbraw/zinc/25/54/45/1120255445.db2.gz XMGBFAVMFDTXIU-MKBNYLNASA-N 0 1 255.361 3.995 20 10 CHCDMN C[C@@H]1CC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000230413688 1120506495 /nfs/dbraw/zinc/50/64/95/1120506495.db2.gz LQWVOCHDNKXHDO-MNOVXSKESA-N 0 1 253.773 3.571 20 10 CHCDMN C[C@H]1CC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000230413690 1120506906 /nfs/dbraw/zinc/50/69/06/1120506906.db2.gz LQWVOCHDNKXHDO-QWRGUYRKSA-N 0 1 253.773 3.571 20 10 CHCDMN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCC(F)(F)CC1 ZINC000690837754 1120588981 /nfs/dbraw/zinc/58/89/81/1120588981.db2.gz AWPJSFJMYNYZAS-SNVBAGLBSA-N 0 1 287.325 3.835 20 10 CHCDMN CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185434126 1120911888 /nfs/dbraw/zinc/91/18/88/1120911888.db2.gz ZLSZNWIZNXLKCN-UGSOOPFHSA-N 0 1 287.403 3.603 20 10 CHCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000162911855 1120947498 /nfs/dbraw/zinc/94/74/98/1120947498.db2.gz FFLOXTHCYPDINO-IUCAKERBSA-N 0 1 274.191 3.929 20 10 CHCDMN [O-]c1ccc(Br)cc1C[NH2+]C1(C2CCC2)CC1 ZINC000700095446 1121078219 /nfs/dbraw/zinc/07/82/19/1121078219.db2.gz HGZIACSKPNCPKV-UHFFFAOYSA-N 0 1 296.208 3.577 20 10 CHCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccccc1 ZINC000700351787 1121099025 /nfs/dbraw/zinc/09/90/25/1121099025.db2.gz IAKMUEGSKQRCEP-GFCCVEGCSA-N 0 1 291.778 3.603 20 10 CHCDMN COc1ccc(NCc2ccc(F)c(F)c2O)cc1Cl ZINC000700765390 1121121635 /nfs/dbraw/zinc/12/16/35/1121121635.db2.gz QETKSGXIYODJEE-UHFFFAOYSA-N 0 1 299.704 3.945 20 10 CHCDMN CCOc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000893683549 1121166179 /nfs/dbraw/zinc/16/61/79/1121166179.db2.gz JLGCBVKFONAVPM-CYBMUJFWSA-N 0 1 288.391 3.595 20 10 CHCDMN Cc1ccc(O)c(Nc2cc(C)nc3ccccc32)c1 ZINC001214217369 1121299391 /nfs/dbraw/zinc/29/93/91/1121299391.db2.gz WCMBQJMSMQPCQA-UHFFFAOYSA-N 0 1 264.328 3.723 20 10 CHCDMN CCc1cc(CN[C@@H](C)c2ccc(N(C)CC)cc2)on1 ZINC000766134674 1121304399 /nfs/dbraw/zinc/30/43/99/1121304399.db2.gz GOHFEZIGSXPEEJ-ZDUSSCGKSA-N 0 1 287.407 3.544 20 10 CHCDMN C[C@@H](NCc1ccncc1Cl)c1ccc(N(C)C)cc1 ZINC000704394253 1121341555 /nfs/dbraw/zinc/34/15/55/1121341555.db2.gz KZFVFWTULMOMAD-GFCCVEGCSA-N 0 1 289.810 3.652 20 10 CHCDMN CCO[C@H](CC[NH2+]Cc1c([O-])cc(C)cc1Cl)C(C)C ZINC001177942943 1121759778 /nfs/dbraw/zinc/75/97/78/1121759778.db2.gz KFTQFJPVOCEULT-MRXNPFEDSA-N 0 1 299.842 3.895 20 10 CHCDMN COc1ccc(C)cc1CNCc1ccc2c(c1)CCCO2 ZINC001648951453 1121783821 /nfs/dbraw/zinc/78/38/21/1121783821.db2.gz VZNSTPSYFPBXCO-UHFFFAOYSA-N 0 1 297.398 3.618 20 10 CHCDMN CC[C@H](C)C[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001180262412 1121969606 /nfs/dbraw/zinc/96/96/06/1121969606.db2.gz UOJJKTUMZMTSDD-JTQLQIEISA-N 0 1 255.789 3.832 20 10 CHCDMN C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC001180057489 1121944392 /nfs/dbraw/zinc/94/43/92/1121944392.db2.gz GEMNJVSVENPUMB-LLVKDONJSA-N 0 1 279.380 3.656 20 10 CHCDMN CC[C@H](C)C[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC001180262412 1121969596 /nfs/dbraw/zinc/96/95/96/1121969596.db2.gz UOJJKTUMZMTSDD-JTQLQIEISA-N 0 1 255.789 3.832 20 10 CHCDMN CC[C@H](C)C[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001180262412 1121969601 /nfs/dbraw/zinc/96/96/01/1121969601.db2.gz UOJJKTUMZMTSDD-JTQLQIEISA-N 0 1 255.789 3.832 20 10 CHCDMN C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1c([O-])cccc1Cl ZINC000733324782 1121976273 /nfs/dbraw/zinc/97/62/73/1121976273.db2.gz CGHKRUMFHXLDFJ-BLLLJJGKSA-N 0 1 297.826 3.731 20 10 CHCDMN COc1ccc(C)cc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000733322905 1121976682 /nfs/dbraw/zinc/97/66/82/1121976682.db2.gz XAMJJRWIALBPNZ-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCc2ccccc21 ZINC001180531295 1121994656 /nfs/dbraw/zinc/99/46/56/1121994656.db2.gz FPULXODYWFDPIZ-OAHLLOKOSA-N 0 1 289.325 3.790 20 10 CHCDMN CCCC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCC1 ZINC001181534272 1122062522 /nfs/dbraw/zinc/06/25/22/1122062522.db2.gz IHGSVLVJBLAZAB-HNNXBMFYSA-N 0 1 265.372 3.980 20 10 CHCDMN CSC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001182044232 1122105817 /nfs/dbraw/zinc/10/58/17/1122105817.db2.gz VZWOWCMHJFVGIB-NSHDSACASA-N 0 1 285.840 3.621 20 10 CHCDMN CSC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001182044232 1122105820 /nfs/dbraw/zinc/10/58/20/1122105820.db2.gz VZWOWCMHJFVGIB-NSHDSACASA-N 0 1 285.840 3.621 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC001182684097 1122182470 /nfs/dbraw/zinc/18/24/70/1122182470.db2.gz JQSHMMCAZGMGIM-KGLIPLIRSA-N 0 1 265.784 3.714 20 10 CHCDMN Cc1csc(C2(NCc3cccc(C)c3O)CCC2)n1 ZINC000271917297 1122182874 /nfs/dbraw/zinc/18/28/74/1122182874.db2.gz ZFCFWLODINAGFS-UHFFFAOYSA-N 0 1 288.416 3.635 20 10 CHCDMN Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000273363692 1122230061 /nfs/dbraw/zinc/23/00/61/1122230061.db2.gz DLSYWIMSZIQFAY-NSHDSACASA-N 0 1 276.767 3.600 20 10 CHCDMN CCc1nc(CN[C@@H](CC)c2ccccc2O)cs1 ZINC000183322373 1129044878 /nfs/dbraw/zinc/04/48/78/1129044878.db2.gz OKXHNVSJSIVYDV-ZDUSSCGKSA-N 0 1 276.405 3.652 20 10 CHCDMN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203664382 1122432614 /nfs/dbraw/zinc/43/26/14/1122432614.db2.gz CHGPMEDKGCYMLY-GFCCVEGCSA-N 0 1 287.790 3.992 20 10 CHCDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203664382 1122432618 /nfs/dbraw/zinc/43/26/18/1122432618.db2.gz CHGPMEDKGCYMLY-GFCCVEGCSA-N 0 1 287.790 3.992 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000775488559 1122620162 /nfs/dbraw/zinc/62/01/62/1122620162.db2.gz IZBFUZIMWYLEGE-BREBYQMCSA-N 0 1 253.773 3.742 20 10 CHCDMN CC[C@H]([NH2+]CCc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000775493271 1122622647 /nfs/dbraw/zinc/62/26/47/1122622647.db2.gz WWFJRZWMOLBZJE-HNNXBMFYSA-N 0 1 290.794 3.724 20 10 CHCDMN CC[C@H]([NH2+]CCOCC1CC1)c1cc(Cl)ccc1[O-] ZINC000775503207 1122628818 /nfs/dbraw/zinc/62/88/18/1122628818.db2.gz DJLIMMHOGAKBAI-AWEZNQCLSA-N 0 1 283.799 3.513 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)CSC)c1cc(Cl)ccc1[O-] ZINC000775508624 1122629790 /nfs/dbraw/zinc/62/97/90/1122629790.db2.gz DNOAAHOFQUQIDA-SKDRFNHKSA-N 0 1 273.829 3.838 20 10 CHCDMN CC[C@@H]([NH2+]CC1(C)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775524565 1122642899 /nfs/dbraw/zinc/64/28/99/1122642899.db2.gz CFFUWGSQFLVTKH-CQSZACIVSA-N 0 1 297.826 3.903 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000775527539 1122644360 /nfs/dbraw/zinc/64/43/60/1122644360.db2.gz QZLQYHFIEGCUBD-ZYHUDNBSSA-N 0 1 271.813 3.592 20 10 CHCDMN Cc1ccc(CN(C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001203293974 1122647370 /nfs/dbraw/zinc/64/73/70/1122647370.db2.gz NIDKSNGKAIXIRZ-UHFFFAOYSA-N 0 1 284.403 3.820 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775548490 1122658690 /nfs/dbraw/zinc/65/86/90/1122658690.db2.gz SZETVYNIHMMDIJ-ZOWXZIJZSA-N 0 1 297.826 3.901 20 10 CHCDMN Cc1csc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000080272817 1129079641 /nfs/dbraw/zinc/07/96/41/1129079641.db2.gz DDHUNIYPNQKNLI-QWHCGFSZSA-N 0 1 289.448 3.929 20 10 CHCDMN CCCC[N@@H+](CC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775639513 1122847968 /nfs/dbraw/zinc/84/79/68/1122847968.db2.gz UHOYFKBBVHASJZ-UHFFFAOYSA-N 0 1 259.752 3.807 20 10 CHCDMN CCC[C@@H](C)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000775642084 1122849855 /nfs/dbraw/zinc/84/98/55/1122849855.db2.gz AIWCGKFZDZKXTQ-WBVHZDCISA-N 0 1 291.435 3.809 20 10 CHCDMN C[N@@H+](Cc1ccsc1)Cc1cccc(Cl)c1[O-] ZINC000775644682 1122855678 /nfs/dbraw/zinc/85/56/78/1122855678.db2.gz QZQVBFROWIPQIV-UHFFFAOYSA-N 0 1 267.781 3.739 20 10 CHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775736560 1122928487 /nfs/dbraw/zinc/92/84/87/1122928487.db2.gz ALUOMEYSUWGBKO-DTORHVGOSA-N 0 1 257.736 3.558 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000160201765 1122945538 /nfs/dbraw/zinc/94/55/38/1122945538.db2.gz DMFUWUXQINBIRE-CHWSQXEVSA-N 0 1 263.356 3.543 20 10 CHCDMN COc1ccc(C)cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000775864942 1122995838 /nfs/dbraw/zinc/99/58/38/1122995838.db2.gz TYXHBLNZGGKMTD-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cccc(F)c1F ZINC000776174646 1123101436 /nfs/dbraw/zinc/10/14/36/1123101436.db2.gz PXAHWDKQJWIYGZ-UHFFFAOYSA-N 0 1 297.732 3.656 20 10 CHCDMN CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622453 1129105781 /nfs/dbraw/zinc/10/57/81/1129105781.db2.gz SCGDTOKYPYXICT-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000850495289 1123275183 /nfs/dbraw/zinc/27/51/83/1123275183.db2.gz ZLDMRYHPUUYNSQ-DGCLKSJQSA-N 0 1 296.842 3.569 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000850495290 1123275431 /nfs/dbraw/zinc/27/54/31/1123275431.db2.gz ZLDMRYHPUUYNSQ-WCQYABFASA-N 0 1 296.842 3.569 20 10 CHCDMN CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000850501751 1123275508 /nfs/dbraw/zinc/27/55/08/1123275508.db2.gz OYMNAUODYDUILN-GFCCVEGCSA-N 0 1 297.414 3.759 20 10 CHCDMN CCc1cccc(CNCc2cc(O)ccc2Cl)c1O ZINC000895633750 1123498213 /nfs/dbraw/zinc/49/82/13/1123498213.db2.gz SJNGGPKQQNZPBM-UHFFFAOYSA-N 0 1 291.778 3.603 20 10 CHCDMN Cc1cc(CN2C[C@@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000776767023 1123503072 /nfs/dbraw/zinc/50/30/72/1123503072.db2.gz QQDCWDIWULHTBT-OKILXGFUSA-N 0 1 291.435 3.607 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H](CC)C1 ZINC000780758817 1123544343 /nfs/dbraw/zinc/54/43/43/1123544343.db2.gz WTEZANFHGIOTLU-RDJZCZTQSA-N 0 1 291.435 3.809 20 10 CHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H](CC)C1 ZINC000780758817 1123544347 /nfs/dbraw/zinc/54/43/47/1123544347.db2.gz WTEZANFHGIOTLU-RDJZCZTQSA-N 0 1 291.435 3.809 20 10 CHCDMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccccc1O ZINC000783532655 1123553845 /nfs/dbraw/zinc/55/38/45/1123553845.db2.gz RIWDZUXJAVQOOA-GFCCVEGCSA-N 0 1 288.366 3.766 20 10 CHCDMN C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000858548965 1123661696 /nfs/dbraw/zinc/66/16/96/1123661696.db2.gz YCUWOITWIIHLAO-WBHUJUFNSA-N 0 1 297.398 3.764 20 10 CHCDMN C[C@@H]1C[NH+](Cc2cc(Cl)ccc2[O-])C[C@@H](C)C1(F)F ZINC000862443420 1123811660 /nfs/dbraw/zinc/81/16/60/1123811660.db2.gz OWZJEDGKOZVMJV-NXEZZACHSA-N 0 1 289.753 3.769 20 10 CHCDMN C/C=C/C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000862550492 1123819296 /nfs/dbraw/zinc/81/92/96/1123819296.db2.gz MEJJDQYZMZVETL-RDFMZFSFSA-N 0 1 275.392 3.579 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc2cccnc21 ZINC000083552299 1129150794 /nfs/dbraw/zinc/15/07/94/1129150794.db2.gz ZPUHZWYPKPEXQM-UHFFFAOYSA-N 0 1 298.773 3.884 20 10 CHCDMN C=COc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864039158 1123913082 /nfs/dbraw/zinc/91/30/82/1123913082.db2.gz OOVXFUYSSACUHO-UHFFFAOYSA-N 0 1 277.270 3.805 20 10 CHCDMN CC[C@H](NCc1csc(C)n1)c1ccc(C)cc1O ZINC000794797683 1123950272 /nfs/dbraw/zinc/95/02/72/1123950272.db2.gz PRJRERDZSOHKDW-AWEZNQCLSA-N 0 1 276.405 3.706 20 10 CHCDMN C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000866403494 1124063805 /nfs/dbraw/zinc/06/38/05/1124063805.db2.gz QOIZZLQBUPBFNZ-GHMZBOCLSA-N 0 1 285.840 3.839 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000866613873 1124088691 /nfs/dbraw/zinc/08/86/91/1124088691.db2.gz JRXYJMDZQTZVEH-GWCFXTLKSA-N 0 1 293.798 3.581 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc2ccccc2c1[O-] ZINC000866615000 1124089459 /nfs/dbraw/zinc/08/94/59/1124089459.db2.gz RYWUIUFYHIWDFW-OLZOCXBDSA-N 0 1 295.386 3.691 20 10 CHCDMN CCCOc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1C ZINC000873080201 1124736376 /nfs/dbraw/zinc/73/63/76/1124736376.db2.gz LEAPZMGLGPLSGI-MRXNPFEDSA-N 0 1 299.418 3.674 20 10 CHCDMN CCOC1CC(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825671936 1124760259 /nfs/dbraw/zinc/76/02/59/1124760259.db2.gz ULSRWCVQDBXMBF-UHFFFAOYSA-N 0 1 297.826 3.649 20 10 CHCDMN CC[C@@H]([NH2+]CC1(C)CC1)c1cc(Br)ccc1[O-] ZINC000229563073 1131324634 /nfs/dbraw/zinc/32/46/34/1131324634.db2.gz UXAAZFAHFIXCDW-GFCCVEGCSA-N 0 1 298.224 3.996 20 10 CHCDMN CCn1ccnc1[C@@H]1CCCCN1Cc1ccc(C)cc1O ZINC000877494886 1125035477 /nfs/dbraw/zinc/03/54/77/1125035477.db2.gz VOIWQJHQFOVYNK-INIZCTEOSA-N 0 1 299.418 3.644 20 10 CHCDMN CCCC[N@H+](CCC[C@@H]1CCO1)Cc1ccccc1[O-] ZINC000877503422 1125036989 /nfs/dbraw/zinc/03/69/89/1125036989.db2.gz LPNYYOLSNGYPQD-MRXNPFEDSA-N 0 1 277.408 3.563 20 10 CHCDMN CCCC[N@@H+](CCC[C@@H]1CCO1)Cc1ccccc1[O-] ZINC000877503422 1125036997 /nfs/dbraw/zinc/03/69/97/1125036997.db2.gz LPNYYOLSNGYPQD-MRXNPFEDSA-N 0 1 277.408 3.563 20 10 CHCDMN CC(C)c1cnc(CN[C@@H](C)c2ccccc2O)s1 ZINC000877757412 1125074572 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257.736 3.559 20 10 CHCDMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237119882 1131053590 /nfs/dbraw/zinc/05/35/90/1131053590.db2.gz HCVDLLSUFFSDMA-VIFPVBQESA-N 0 1 257.736 3.559 20 10 CHCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237130293 1131054388 /nfs/dbraw/zinc/05/43/88/1131054388.db2.gz LWJVUVJYWCOITO-LBPRGKRZSA-N 0 1 271.763 3.805 20 10 CHCDMN CC(C)[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237130293 1131054393 /nfs/dbraw/zinc/05/43/93/1131054393.db2.gz LWJVUVJYWCOITO-LBPRGKRZSA-N 0 1 271.763 3.805 20 10 CHCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237130293 1131054397 /nfs/dbraw/zinc/05/43/97/1131054397.db2.gz LWJVUVJYWCOITO-LBPRGKRZSA-N 0 1 271.763 3.805 20 10 CHCDMN C[N@H+](Cc1c(O)ccc(F)c1Cl)CC1CC(F)(F)C1 ZINC001237127092 1131055627 /nfs/dbraw/zinc/05/56/27/1131055627.db2.gz URVZQEIBQDWRAH-UHFFFAOYSA-N 0 1 293.716 3.662 20 10 CHCDMN C[N@@H+](Cc1c([O-])ccc(F)c1Cl)CC1CC(F)(F)C1 ZINC001237127092 1131055633 /nfs/dbraw/zinc/05/56/33/1131055633.db2.gz URVZQEIBQDWRAH-UHFFFAOYSA-N 0 1 293.716 3.662 20 10 CHCDMN C[N@H+](Cc1c([O-])ccc(F)c1Cl)CC1CC(F)(F)C1 ZINC001237127092 1131055640 /nfs/dbraw/zinc/05/56/40/1131055640.db2.gz URVZQEIBQDWRAH-UHFFFAOYSA-N 0 1 293.716 3.662 20 10 CHCDMN CSC[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816516437 1131103303 /nfs/dbraw/zinc/10/33/03/1131103303.db2.gz FRMUNVQRIYZWON-SNVBAGLBSA-N 0 1 289.803 3.512 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc2ccccc2c1[O-] ZINC000698192236 1127185240 /nfs/dbraw/zinc/18/52/40/1127185240.db2.gz VETBCJWKJWAPNA-TZMCWYRMSA-N 0 1 253.345 3.915 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])CC1CC(OCC)C1 ZINC000285397179 1127226132 /nfs/dbraw/zinc/22/61/32/1127226132.db2.gz TWWAVAWSWXMUNI-UHFFFAOYSA-N 0 1 291.435 3.809 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])CC1CC(OCC)C1 ZINC000285397179 1127226135 /nfs/dbraw/zinc/22/61/35/1127226135.db2.gz TWWAVAWSWXMUNI-UHFFFAOYSA-N 0 1 291.435 3.809 20 10 CHCDMN C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000783311246 1127364011 /nfs/dbraw/zinc/36/40/11/1127364011.db2.gz UDPFBRNQHMNWRM-SCVCMEIPSA-N 0 1 298.224 3.994 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)CCCOC(C)C)c(Cl)c1 ZINC001308779907 1127470681 /nfs/dbraw/zinc/47/06/81/1127470681.db2.gz WJJMAWIVMJJLCG-UHFFFAOYSA-N 0 1 285.815 3.601 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)CCCOC(C)C)c(Cl)c1 ZINC001308779907 1127470684 /nfs/dbraw/zinc/47/06/84/1127470684.db2.gz WJJMAWIVMJJLCG-UHFFFAOYSA-N 0 1 285.815 3.601 20 10 CHCDMN C[C@H]([NH2+]C1CC=CC1)c1ccc2ccccc2c1[O-] ZINC000168822522 1127470966 /nfs/dbraw/zinc/47/09/66/1127470966.db2.gz CJESZTPGHDJRFQ-LBPRGKRZSA-N 0 1 253.345 3.915 20 10 CHCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C1CCCCC1 ZINC000060201645 1127508151 /nfs/dbraw/zinc/50/81/51/1127508151.db2.gz UKCVXKDOWSULRJ-UHFFFAOYSA-N 0 1 298.224 3.919 20 10 CHCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C1CCCCC1 ZINC000060201645 1127508154 /nfs/dbraw/zinc/50/81/54/1127508154.db2.gz UKCVXKDOWSULRJ-UHFFFAOYSA-N 0 1 298.224 3.919 20 10 CHCDMN C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000060942097 1127625066 /nfs/dbraw/zinc/62/50/66/1127625066.db2.gz VPHYVIWVEKOODO-LLVKDONJSA-N 0 1 293.769 3.906 20 10 CHCDMN Cc1cc(O)c(C[N@@H+](Cc2cccnc2)C2CC2)cc1C ZINC000296538824 1127675345 /nfs/dbraw/zinc/67/53/45/1127675345.db2.gz OFVHBOHIMPDAOE-UHFFFAOYSA-N 0 1 282.387 3.569 20 10 CHCDMN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c([O-])cccc1Br ZINC000707147213 1127687949 /nfs/dbraw/zinc/68/79/49/1127687949.db2.gz WDBZUJBMAUEOFX-GHMZBOCLSA-N 0 1 298.224 3.918 20 10 CHCDMN C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000230672521 1127770819 /nfs/dbraw/zinc/77/08/19/1127770819.db2.gz PXXDEJIQSDOXCA-ZIAGYGMSSA-N 0 1 285.387 3.623 20 10 CHCDMN CC[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])OC ZINC000290214333 1127939077 /nfs/dbraw/zinc/93/90/77/1127939077.db2.gz QEBIBHBLDLMEHJ-TZMCWYRMSA-N 0 1 273.376 3.621 20 10 CHCDMN CC(C)OC1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000130116158 1127961148 /nfs/dbraw/zinc/96/11/48/1127961148.db2.gz VTTMFPVVLBGADE-UHFFFAOYSA-N 0 1 297.826 3.871 20 10 CHCDMN CCCCN(Cc1ccccc1O)[C@H](C)c1ncccn1 ZINC000930350970 1128073691 /nfs/dbraw/zinc/07/36/91/1128073691.db2.gz LDLKPRAKWGZLFD-CQSZACIVSA-N 0 1 285.391 3.546 20 10 CHCDMN Cc1cnc([C@@H](C)NCc2cc(Cl)ccc2O)s1 ZINC000134906511 1128090963 /nfs/dbraw/zinc/09/09/63/1128090963.db2.gz WQGGKBFGDMZGDA-SECBINFHSA-N 0 1 282.796 3.661 20 10 CHCDMN CN(Cc1cc2c(cc1O)CCC2)Cc1ccccc1F ZINC000915814311 1128342547 /nfs/dbraw/zinc/34/25/47/1128342547.db2.gz STFAETKMZMQCGU-UHFFFAOYSA-N 0 1 285.362 3.652 20 10 CHCDMN Cc1noc(C)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917073810 1128473818 /nfs/dbraw/zinc/47/38/18/1128473818.db2.gz BKBCDXKZORTTEW-UHFFFAOYSA-N 0 1 299.418 3.522 20 10 CHCDMN C[C@H]1CC[C@]2(CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)C1 ZINC000781585510 1128569025 /nfs/dbraw/zinc/56/90/25/1128569025.db2.gz GOYDXGNFMNBJGY-LIRRHRJNSA-N 0 1 296.414 3.953 20 10 CHCDMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)C1 ZINC000781585510 1128569029 /nfs/dbraw/zinc/56/90/29/1128569029.db2.gz GOYDXGNFMNBJGY-LIRRHRJNSA-N 0 1 296.414 3.953 20 10 CHCDMN CC(C)[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000049099602 1128743651 /nfs/dbraw/zinc/74/36/51/1128743651.db2.gz WHQASOXOKWWEDV-INIZCTEOSA-N 0 1 270.376 3.561 20 10 CHCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000049099602 1128743653 /nfs/dbraw/zinc/74/36/53/1128743653.db2.gz WHQASOXOKWWEDV-INIZCTEOSA-N 0 1 270.376 3.561 20 10 CHCDMN C[N@H+](Cc1ccccc1O)CC1CCC(F)(F)CC1 ZINC000693043646 1118094568 /nfs/dbraw/zinc/09/45/68/1118094568.db2.gz MCWJLSRDCQLDOR-UHFFFAOYSA-N 0 1 269.335 3.650 20 10 CHCDMN COc1ccc(CNC(C)(C)c2c(C)noc2C)cc1C ZINC000285414106 1118464749 /nfs/dbraw/zinc/46/47/49/1118464749.db2.gz FZHVYTIGYMXIRF-UHFFFAOYSA-N 0 1 288.391 3.633 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])CC1(C)C ZINC001664205643 1118525407 /nfs/dbraw/zinc/52/54/07/1118525407.db2.gz WJIYKSQOTPZBLD-NSHDSACASA-N 0 1 267.800 3.914 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1(C)C ZINC001664205643 1118525409 /nfs/dbraw/zinc/52/54/09/1118525409.db2.gz WJIYKSQOTPZBLD-NSHDSACASA-N 0 1 267.800 3.914 20 10 CHCDMN CC1(C[NH2+]Cc2c([O-])cccc2Br)CCCC1 ZINC000706843367 1118553076 /nfs/dbraw/zinc/55/30/76/1118553076.db2.gz TYOAYMHZWFDYDW-UHFFFAOYSA-N 0 1 298.224 3.825 20 10 CHCDMN C[C@@H]1CCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706847059 1118553198 /nfs/dbraw/zinc/55/31/98/1118553198.db2.gz VFDUJDUGCHTQQM-GHMZBOCLSA-N 0 1 298.224 3.681 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1CCC(F)(F)CC1 ZINC000693368814 1118583054 /nfs/dbraw/zinc/58/30/54/1118583054.db2.gz YJQMVBOOWKJCPC-UHFFFAOYSA-N 0 1 289.753 3.961 20 10 CHCDMN C[C@H]1CCCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707146649 1118648100 /nfs/dbraw/zinc/64/81/00/1118648100.db2.gz PDYHPGVUHXHYLP-NSHDSACASA-N 0 1 298.224 3.919 20 10 CHCDMN C[C@H]1CCCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707146649 1118648102 /nfs/dbraw/zinc/64/81/02/1118648102.db2.gz PDYHPGVUHXHYLP-NSHDSACASA-N 0 1 298.224 3.919 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c([O-])cccc1Br ZINC000707147215 1118648386 /nfs/dbraw/zinc/64/83/86/1118648386.db2.gz WDBZUJBMAUEOFX-PHIMTYICSA-N 0 1 298.224 3.918 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c([O-])cccc1Br ZINC000707147215 1118648387 /nfs/dbraw/zinc/64/83/87/1118648387.db2.gz WDBZUJBMAUEOFX-PHIMTYICSA-N 0 1 298.224 3.918 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000224709166 1119175163 /nfs/dbraw/zinc/17/51/63/1119175163.db2.gz HYIDYVMAVRGNDD-QWRGUYRKSA-N 0 1 295.810 3.869 20 10 CHCDMN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCCCC1 ZINC000226611331 1119224830 /nfs/dbraw/zinc/22/48/30/1119224830.db2.gz OSBAWYCLJGASBU-NSHDSACASA-N 0 1 251.345 3.590 20 10 CHCDMN C[C@H]1CCC[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000226646780 1119256103 /nfs/dbraw/zinc/25/61/03/1119256103.db2.gz KJJDTBUTIJDDQR-NWDGAFQWSA-N 0 1 267.800 3.962 20 10 CHCDMN C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc2ccccc2c1[O-] ZINC000317975883 1119448114 /nfs/dbraw/zinc/44/81/14/1119448114.db2.gz HGEQFSADYRYOSO-AWEZNQCLSA-N 0 1 298.430 3.680 20 10 CHCDMN CSC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168786671 1119477943 /nfs/dbraw/zinc/47/79/43/1119477943.db2.gz NRIBYLOGNHYPPK-NEPJUHHUSA-N 0 1 275.417 3.948 20 10 CHCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000163860627 1120022829 /nfs/dbraw/zinc/02/28/29/1120022829.db2.gz HTVFTWDSGRACQT-GFCCVEGCSA-N 0 1 267.800 3.914 20 10 CHCDMN CC(C)c1cc(CN[C@H](C)c2ccc(N(C)C)cc2)on1 ZINC000169228440 1120105358 /nfs/dbraw/zinc/10/53/58/1120105358.db2.gz BLWYWTJIYBWXTH-CYBMUJFWSA-N 0 1 287.407 3.715 20 10 CHCDMN C[C@@H]([NH2+]CC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000111159193 1120138335 /nfs/dbraw/zinc/13/83/35/1120138335.db2.gz ZIOUFXBSXRDPJW-CYBMUJFWSA-N 0 1 285.387 3.623 20 10 CHCDMN COc1ccc(C[N@H+]2CCC23CCCC3)c([O-])c1Cl ZINC001236801250 1128893966 /nfs/dbraw/zinc/89/39/66/1128893966.db2.gz IOMFIPYKPMMHNU-UHFFFAOYSA-N 0 1 281.783 3.573 20 10 CHCDMN CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000179870924 1120256074 /nfs/dbraw/zinc/25/60/74/1120256074.db2.gz ANHLVZPJESGLER-UHFFFAOYSA-N 0 1 259.324 3.553 20 10 CHCDMN Cc1cccc(C)c1C[NH2+]Cc1c([O-])cccc1Cl ZINC000132121980 1120352181 /nfs/dbraw/zinc/35/21/81/1120352181.db2.gz VYXHCQGXTDKNBT-UHFFFAOYSA-N 0 1 275.779 3.952 20 10 CHCDMN CCN1CCCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756565186 1120531651 /nfs/dbraw/zinc/53/16/51/1120531651.db2.gz WIJFHZXBQPGNHH-OCCSQVGLSA-N 0 1 296.842 3.571 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c(Cl)c1 ZINC000922730443 1120590834 /nfs/dbraw/zinc/59/08/34/1120590834.db2.gz XHFVMXJFTXQDIK-WCBMZHEXSA-N 0 1 293.716 3.642 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000922879739 1120616881 /nfs/dbraw/zinc/61/68/81/1120616881.db2.gz BEWPYVWBQUJYSS-AWEZNQCLSA-N 0 1 288.778 3.608 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cc(F)ccc1[O-] ZINC000094618522 1121087331 /nfs/dbraw/zinc/08/73/31/1121087331.db2.gz UMMBXKNWSZVRDR-IINYFYTJSA-N 0 1 251.345 3.761 20 10 CHCDMN CC1(C)C[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C(C)(C)O1 ZINC000709708737 1121129506 /nfs/dbraw/zinc/12/95/06/1121129506.db2.gz YGQSZGHJLOXEOP-NSHDSACASA-N 0 1 297.826 3.729 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702773214 1121213284 /nfs/dbraw/zinc/21/32/84/1121213284.db2.gz YXLLHUUZIFZAPB-UHFFFAOYSA-N 0 1 275.726 3.667 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCC(F)(F)CC1 ZINC000702773214 1121213287 /nfs/dbraw/zinc/21/32/87/1121213287.db2.gz YXLLHUUZIFZAPB-UHFFFAOYSA-N 0 1 275.726 3.667 20 10 CHCDMN C[C@H]1CCCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000703198976 1121238017 /nfs/dbraw/zinc/23/80/17/1121238017.db2.gz ITMAVOOZSVZALS-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN COc1ccc(NCc2ccc(F)c(F)c2O)c(C)c1 ZINC000703277987 1121241625 /nfs/dbraw/zinc/24/16/25/1121241625.db2.gz YHKCEFPEGOYTAB-UHFFFAOYSA-N 0 1 279.286 3.600 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCCC12CC2)c1cc(F)ccc1[O-] ZINC000706226653 1121420224 /nfs/dbraw/zinc/42/02/24/1121420224.db2.gz SDSWRBHGIMQVAW-NWDGAFQWSA-N 0 1 263.356 3.762 20 10 CHCDMN CCN(CCC(F)(F)F)Cc1c(O)cccc1Cl ZINC000688499758 1129004122 /nfs/dbraw/zinc/00/41/22/1129004122.db2.gz KKSUQQXJBBOJRZ-UHFFFAOYSA-N 0 1 281.705 3.820 20 10 CHCDMN CC[N@H+](CCC(F)(F)F)Cc1c([O-])cccc1Cl ZINC000688499758 1129004126 /nfs/dbraw/zinc/00/41/26/1129004126.db2.gz KKSUQQXJBBOJRZ-UHFFFAOYSA-N 0 1 281.705 3.820 20 10 CHCDMN CC[N@@H+](CCC(F)(F)F)Cc1c([O-])cccc1Cl ZINC000688499758 1129004127 /nfs/dbraw/zinc/00/41/27/1129004127.db2.gz KKSUQQXJBBOJRZ-UHFFFAOYSA-N 0 1 281.705 3.820 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCc2ccccc2C)c(Cl)c1 ZINC001177981461 1121761867 /nfs/dbraw/zinc/76/18/67/1121761867.db2.gz LTUJMAYLXKTJEO-UHFFFAOYSA-N 0 1 289.806 3.995 20 10 CHCDMN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCOC1 ZINC000730259798 1121799747 /nfs/dbraw/zinc/79/97/47/1121799747.db2.gz DFJZCVXAZPYFQT-CYBMUJFWSA-N 0 1 297.354 3.512 20 10 CHCDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCOC1 ZINC000730259798 1121799753 /nfs/dbraw/zinc/79/97/53/1121799753.db2.gz DFJZCVXAZPYFQT-CYBMUJFWSA-N 0 1 297.354 3.512 20 10 CHCDMN CC[N@@H+](Cc1c([O-])cccc1Br)CC1CCC1 ZINC001181175127 1122040941 /nfs/dbraw/zinc/04/09/41/1122040941.db2.gz LOVIYFNTEWTKHL-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN CC[N@H+](Cc1c([O-])cccc1Br)CC1CCC1 ZINC001181175127 1122040944 /nfs/dbraw/zinc/04/09/44/1122040944.db2.gz LOVIYFNTEWTKHL-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCc2ccccc21 ZINC001180531716 1121994832 /nfs/dbraw/zinc/99/48/32/1121994832.db2.gz JIKQTRICQXYDKH-INIZCTEOSA-N 0 1 289.325 3.790 20 10 CHCDMN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC001182534642 1122174750 /nfs/dbraw/zinc/17/47/50/1122174750.db2.gz YBQTXTIJUDTEIJ-IYBDPMFKSA-N 0 1 299.414 3.981 20 10 CHCDMN Oc1c(Cl)cccc1CN1Cc2cc(F)c(F)cc2C1 ZINC001182595118 1122178041 /nfs/dbraw/zinc/17/80/41/1122178041.db2.gz PISLSQPWZVMBAT-UHFFFAOYSA-N 0 1 295.716 3.840 20 10 CHCDMN CSc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC001182685859 1122182575 /nfs/dbraw/zinc/18/25/75/1122182575.db2.gz UTRSLHBYVZYLOJ-UHFFFAOYSA-N 0 1 283.780 3.650 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC2(CC2)CC1 ZINC001183155913 1122210187 /nfs/dbraw/zinc/21/01/87/1122210187.db2.gz JEHWVMIYBDKIMR-UHFFFAOYSA-N 0 1 283.774 3.951 20 10 CHCDMN Cc1cnc([C@H](C)C[NH2+]Cc2c([O-])cccc2Cl)s1 ZINC000273340430 1122228947 /nfs/dbraw/zinc/22/89/47/1122228947.db2.gz AGRMTRHYFCLFBV-SECBINFHSA-N 0 1 296.823 3.704 20 10 CHCDMN C[C@@H]([NH2+]CCCc1nccs1)c1cc(Cl)ccc1[O-] ZINC000273493083 1122236089 /nfs/dbraw/zinc/23/60/89/1122236089.db2.gz OQVRRKHJVKEBJB-SNVBAGLBSA-N 0 1 296.823 3.786 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000273491823 1122236564 /nfs/dbraw/zinc/23/65/64/1122236564.db2.gz OKIKZCKABGZJPX-WCQYABFASA-N 0 1 295.810 3.798 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000273586200 1122240385 /nfs/dbraw/zinc/24/03/85/1122240385.db2.gz NWPCCDFMIOXBIT-MWLCHTKSSA-N 0 1 271.813 3.592 20 10 CHCDMN CSCC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001184097453 1122254700 /nfs/dbraw/zinc/25/47/00/1122254700.db2.gz IONOGFNWVJLGCI-UHFFFAOYSA-N 0 1 299.867 3.929 20 10 CHCDMN Cc1cc(C)c2c(c1)CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001184419301 1122275625 /nfs/dbraw/zinc/27/56/25/1122275625.db2.gz ZIIGUCAWNKXNPG-UHFFFAOYSA-N 0 1 285.362 3.706 20 10 CHCDMN CSCC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297517 1122426961 /nfs/dbraw/zinc/42/69/61/1122426961.db2.gz HDNDFOGSDMAGLU-JTQLQIEISA-N 0 1 273.829 3.585 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCOC(C)(C)C)cc1Cl ZINC000827169547 1122481228 /nfs/dbraw/zinc/48/12/28/1122481228.db2.gz DTCAXFHVZFSWDK-UHFFFAOYSA-N 0 1 285.815 3.649 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775490645 1122620566 /nfs/dbraw/zinc/62/05/66/1122620566.db2.gz CVUJNVFPFIBKDF-FZMZJTMJSA-N 0 1 283.799 3.513 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775498054 1122626775 /nfs/dbraw/zinc/62/67/75/1122626775.db2.gz GNGOBCVSVMHQGO-SWLSCSKDSA-N 0 1 298.858 3.817 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)CCOC)c1cc(Cl)ccc1[O-] ZINC000775501458 1122628553 /nfs/dbraw/zinc/62/85/53/1122628553.db2.gz QVRJOWNKZUAPET-MFKMUULPSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@H]([NH2+]Cc1cc(C)no1)c1cc(Cl)ccc1[O-] ZINC000775501237 1122628565 /nfs/dbraw/zinc/62/85/65/1122628565.db2.gz CRKPKWUOBUMNRB-ZDUSSCGKSA-N 0 1 280.755 3.583 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cccc(O)c1)c1cc(Cl)ccc1[O-] ZINC000775501804 1122628758 /nfs/dbraw/zinc/62/87/58/1122628758.db2.gz SHCOMBUHSGAFSQ-OAHLLOKOSA-N 0 1 291.778 3.992 20 10 CHCDMN CC[C@H]([NH2+]Cc1cccc(O)c1)c1cc(Cl)ccc1[O-] ZINC000775501802 1122629005 /nfs/dbraw/zinc/62/90/05/1122629005.db2.gz SHCOMBUHSGAFSQ-HNNXBMFYSA-N 0 1 291.778 3.992 20 10 CHCDMN CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Cl)ccc1[O-] ZINC000775503161 1122631175 /nfs/dbraw/zinc/63/11/75/1122631175.db2.gz CTMBRQHLBZTILS-DZGCQCFKSA-N 0 1 283.799 3.513 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000775510941 1122633304 /nfs/dbraw/zinc/63/33/04/1122633304.db2.gz BGPYOPZJOOKZIB-WCQYABFASA-N 0 1 285.840 3.982 20 10 CHCDMN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513272 1122633845 /nfs/dbraw/zinc/63/38/45/1122633845.db2.gz PLVVRBQJFXNPCX-KYOSRNDESA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Cl)ccc1[O-] ZINC000775512910 1122634409 /nfs/dbraw/zinc/63/44/09/1122634409.db2.gz SCOZMCYCJLEBIO-UGWHAMFMSA-N 0 1 297.826 3.780 20 10 CHCDMN CC[C@H]([NH2+]C1CC=CC1)c1cc(Cl)ccc1[O-] ZINC000775513763 1122634848 /nfs/dbraw/zinc/63/48/48/1122634848.db2.gz MAQQUUOHIJEEGK-ZDUSSCGKSA-N 0 1 251.757 3.805 20 10 CHCDMN CC[C@H]([NH2+]C[C@H](C)SC)c1cc(Cl)ccc1[O-] ZINC000775524663 1122641612 /nfs/dbraw/zinc/64/16/12/1122641612.db2.gz VRWNVBNHMLDKGY-CABZTGNLSA-N 0 1 273.829 3.838 20 10 CHCDMN CC[C@H]([NH2+]C1CC(C)C1)c1cc(Cl)ccc1[O-] ZINC000775525135 1122641648 /nfs/dbraw/zinc/64/16/48/1122641648.db2.gz DJPAGDFCIJSIIE-OCTTZUBCSA-N 0 1 253.773 3.885 20 10 CHCDMN CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775527708 1122644930 /nfs/dbraw/zinc/64/49/30/1122644930.db2.gz SQLCFLJYCFDGOR-FZMZJTMJSA-N 0 1 299.842 3.883 20 10 CHCDMN COc1ccc(O)c([C@H](C)N[C@H](C)c2nc(C)cs2)c1 ZINC000080273389 1129079802 /nfs/dbraw/zinc/07/98/02/1129079802.db2.gz IIBXYNQPVZSJSB-WDEREUQCSA-N 0 1 292.404 3.578 20 10 CHCDMN C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775639703 1122848141 /nfs/dbraw/zinc/84/81/41/1122848141.db2.gz ZEACJAJNTRWHMP-VIFPVBQESA-N 0 1 257.736 3.559 20 10 CHCDMN Cc1cccc(CN(C)Cc2ccccc2Cl)c1O ZINC000775642939 1122851208 /nfs/dbraw/zinc/85/12/08/1122851208.db2.gz PWVGVNORKJVINL-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN CC(C)[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775652611 1122867861 /nfs/dbraw/zinc/86/78/61/1122867861.db2.gz NXPLLGUCFPYAAD-VIFPVBQESA-N 0 1 259.752 3.661 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)CCCOC(C)C)cc1Cl ZINC001205918250 1123106872 /nfs/dbraw/zinc/10/68/72/1123106872.db2.gz UWQJOYQUNZWSQT-UHFFFAOYSA-N 0 1 285.815 3.601 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)CCCOC(C)C)cc1Cl ZINC001205918250 1123106875 /nfs/dbraw/zinc/10/68/75/1123106875.db2.gz UWQJOYQUNZWSQT-UHFFFAOYSA-N 0 1 285.815 3.601 20 10 CHCDMN CC(C)(C)c1nc(CSc2ncc(Cl)s2)n[nH]1 ZINC000850002187 1123236687 /nfs/dbraw/zinc/23/66/87/1123236687.db2.gz VMLLYMVNQZNUAW-UHFFFAOYSA-N 0 1 288.829 3.504 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)c2ccccn2)c(Cl)c1 ZINC000850341651 1123254856 /nfs/dbraw/zinc/25/48/56/1123254856.db2.gz AZNZJDVCOHEUJJ-GFCCVEGCSA-N 0 1 290.794 3.642 20 10 CHCDMN CCOc1cccc(CNc2nc(C)ccc2CC)c1O ZINC000850356789 1123255484 /nfs/dbraw/zinc/25/54/84/1123255484.db2.gz SCJWGIZDIKRJBV-UHFFFAOYSA-N 0 1 286.375 3.669 20 10 CHCDMN CC[C@H]([NH2+]CCC1CC(OC)C1)c1cc(Cl)ccc1[O-] ZINC000850482388 1123273465 /nfs/dbraw/zinc/27/34/65/1123273465.db2.gz OXPIHVAWFZKFEX-HGMXIMQMSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(Cl)ccc1[O-] ZINC000850510352 1123278136 /nfs/dbraw/zinc/27/81/36/1123278136.db2.gz SUDWVOKEVOCSAA-DGCLKSJQSA-N 0 1 251.757 3.805 20 10 CHCDMN C[C@@H]([NH2+]CCC(C)(C)F)c1cc(Cl)ccc1[O-] ZINC000850532600 1123286344 /nfs/dbraw/zinc/28/63/44/1123286344.db2.gz UVOMWFYLFFOSJM-SECBINFHSA-N 0 1 259.752 3.834 20 10 CHCDMN C[C@H]([NH2+]CCCc1ccco1)c1cc(Cl)ccc1[O-] ZINC000850569403 1123294459 /nfs/dbraw/zinc/29/44/59/1123294459.db2.gz CSQSKLQOMSZKII-NSHDSACASA-N 0 1 279.767 3.922 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000853564207 1123443854 /nfs/dbraw/zinc/44/38/54/1123443854.db2.gz KNTAGFFXMLIZMP-ZDUSSCGKSA-N 0 1 288.366 3.512 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000853564207 1123443858 /nfs/dbraw/zinc/44/38/58/1123443858.db2.gz KNTAGFFXMLIZMP-ZDUSSCGKSA-N 0 1 288.366 3.512 20 10 CHCDMN C[C@H]([NH2+]CCc1cscn1)c1ccc2ccccc2c1[O-] ZINC000111627223 1123457175 /nfs/dbraw/zinc/45/71/75/1123457175.db2.gz NXLNIAOONSGBKY-LBPRGKRZSA-N 0 1 298.411 3.895 20 10 CHCDMN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC001237681084 1129123314 /nfs/dbraw/zinc/12/33/14/1129123314.db2.gz KYLCTESTTFMLEQ-BETUJISGSA-N 0 1 279.811 3.976 20 10 CHCDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000020551998 1123648199 /nfs/dbraw/zinc/64/81/99/1123648199.db2.gz VWRLTNOVDQSWPU-LBPRGKRZSA-N 0 1 275.779 3.939 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1Cl ZINC000896860986 1123649051 /nfs/dbraw/zinc/64/90/51/1123649051.db2.gz YFXLANAKSGGMLR-WCBMZHEXSA-N 0 1 293.716 3.642 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccc(Cl)cc1[O-] ZINC000858576111 1123664102 /nfs/dbraw/zinc/66/41/02/1123664102.db2.gz IIYJXCMNJOWRFU-BDAKNGLRSA-N 0 1 282.796 3.914 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000691832343 1123742171 /nfs/dbraw/zinc/74/21/71/1123742171.db2.gz WVEWAWRIYMPMPY-GFCCVEGCSA-N 0 1 295.810 3.627 20 10 CHCDMN Cc1cc(O)c(CN2CC(Cc3ccco3)C2)cc1Cl ZINC000862487383 1123813892 /nfs/dbraw/zinc/81/38/92/1123813892.db2.gz QCQXXTZPQKAIBD-UHFFFAOYSA-N 0 1 291.778 3.622 20 10 CHCDMN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000840860255 1123861718 /nfs/dbraw/zinc/86/17/18/1123861718.db2.gz RHFJDUAXUNLQJU-WCABBAIRSA-N 0 1 271.813 3.590 20 10 CHCDMN COc1cccc(NCc2ccc(F)c(F)c2O)c1C ZINC000864042018 1123912774 /nfs/dbraw/zinc/91/27/74/1123912774.db2.gz ZFHGYZHGSGUSIY-UHFFFAOYSA-N 0 1 279.286 3.600 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC1=CCCC1 ZINC000120148176 1123937525 /nfs/dbraw/zinc/93/75/25/1123937525.db2.gz QGFUNBWXZICMCU-UHFFFAOYSA-N 0 1 251.757 3.636 20 10 CHCDMN Cc1cnc([C@H](C)NCc2ccc(N(C)C)cc2C)s1 ZINC000840935238 1124030988 /nfs/dbraw/zinc/03/09/88/1124030988.db2.gz JCUUWZXEZNXDBT-ZDUSSCGKSA-N 0 1 289.448 3.677 20 10 CHCDMN CC(C)(C[NH2+]Cc1ccc2ccccc2c1[O-])OCC1CC1 ZINC000840960900 1124042518 /nfs/dbraw/zinc/04/25/18/1124042518.db2.gz XMAPKGUZUHKEHG-UHFFFAOYSA-N 0 1 299.414 3.840 20 10 CHCDMN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000866635051 1124092780 /nfs/dbraw/zinc/09/27/80/1124092780.db2.gz MHYZCLYWMPPIED-UMVBOHGHSA-N 0 1 287.403 3.746 20 10 CHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CC1 ZINC000122921541 1124545601 /nfs/dbraw/zinc/54/56/01/1124545601.db2.gz NWIYTZXHAJVGMD-UHFFFAOYSA-N 0 1 260.164 3.541 20 10 CHCDMN CCC[N@H+](Cc1cccc(F)c1N)Cc1ccccc1O ZINC000876654263 1124967614 /nfs/dbraw/zinc/96/76/14/1124967614.db2.gz AQTFCZZREKVJDB-UHFFFAOYSA-N 0 1 288.366 3.526 20 10 CHCDMN CCCCn1ncc(NCc2ccc(F)c(F)c2O)c1C ZINC000877133494 1125013296 /nfs/dbraw/zinc/01/32/96/1125013296.db2.gz CRFQLPWNYHVZCV-UHFFFAOYSA-N 0 1 295.333 3.588 20 10 CHCDMN COCC1(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCC1 ZINC000826011839 1125117175 /nfs/dbraw/zinc/11/71/75/1125117175.db2.gz JJQIVEGYWLFFBI-UHFFFAOYSA-N 0 1 297.826 3.650 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000130547190 1125363092 /nfs/dbraw/zinc/36/30/92/1125363092.db2.gz DLFDOQMSRSCGJM-UHFFFAOYSA-N 0 1 291.753 3.964 20 10 CHCDMN CC[C@H](NC1(c2ncccn2)CCC1)c1ccc(C)cc1O ZINC000883311644 1125393304 /nfs/dbraw/zinc/39/33/04/1125393304.db2.gz HUDCTJHOMOJFFX-HNNXBMFYSA-N 0 1 297.402 3.611 20 10 CHCDMN CC[C@@H](NC1(c2ncccn2)CCC1)c1ccc(C)cc1O ZINC000883311645 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C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000038095430 1129336284 /nfs/dbraw/zinc/33/62/84/1129336284.db2.gz RJHXNUFPDCEZJB-DZGCQCFKSA-N 0 1 285.387 3.765 20 10 CHCDMN c1ccc2c(c1)SC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000735508496 1129348374 /nfs/dbraw/zinc/34/83/74/1129348374.db2.gz BSWLMKNTPMOFLO-OAHLLOKOSA-N 0 1 283.396 3.558 20 10 CHCDMN Cc1csc([C@H](C)N[C@@H](C)c2cc(F)ccc2O)n1 ZINC000094618314 1129448252 /nfs/dbraw/zinc/44/82/52/1129448252.db2.gz DIBZUVJEYXYVOX-UWVGGRQHSA-N 0 1 280.368 3.708 20 10 CHCDMN CC1=C(C)C[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000796020253 1129462837 /nfs/dbraw/zinc/46/28/37/1129462837.db2.gz KOMTVRUBHDPPOE-UHFFFAOYSA-N 0 1 251.757 3.588 20 10 CHCDMN CCCC[N@@H+](CCCCF)Cc1ccccc1[O-] ZINC000796061949 1129464177 /nfs/dbraw/zinc/46/41/77/1129464177.db2.gz OFDBLHNRDJJIAP-UHFFFAOYSA-N 0 1 253.361 3.744 20 10 CHCDMN CCCC[N@H+](CCCCF)Cc1ccccc1[O-] ZINC000796061949 1129464174 /nfs/dbraw/zinc/46/41/74/1129464174.db2.gz OFDBLHNRDJJIAP-UHFFFAOYSA-N 0 1 253.361 3.744 20 10 CHCDMN Cc1cccc(F)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000742380109 1129476093 /nfs/dbraw/zinc/47/60/93/1129476093.db2.gz HMMBUUFUEMKTAC-UHFFFAOYSA-N 0 1 290.357 3.629 20 10 CHCDMN CC[C@]1(C)CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000743386107 1129521806 /nfs/dbraw/zinc/52/18/06/1129521806.db2.gz BGABQUITVAHXFX-GOSISDBHSA-N 0 1 284.403 3.953 20 10 CHCDMN CC[C@]1(C)CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000743386107 1129521808 /nfs/dbraw/zinc/52/18/08/1129521808.db2.gz BGABQUITVAHXFX-GOSISDBHSA-N 0 1 284.403 3.953 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1cc(Br)ccc1[O-] ZINC000743870853 1129541983 /nfs/dbraw/zinc/54/19/83/1129541983.db2.gz DQNOVBBRZXVSNC-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN CC[N@H+](CCC1CC1)Cc1cc(Br)ccc1[O-] ZINC000743870853 1129541982 /nfs/dbraw/zinc/54/19/82/1129541982.db2.gz DQNOVBBRZXVSNC-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN CCCC[N@H+](CCC[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000828470293 1131387586 /nfs/dbraw/zinc/38/75/86/1131387586.db2.gz ZMKMDRVRMOXFOS-INIZCTEOSA-N 0 1 291.435 3.811 20 10 CHCDMN CCCC[N@@H+](CCC[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000828470293 1131387590 /nfs/dbraw/zinc/38/75/90/1131387590.db2.gz ZMKMDRVRMOXFOS-INIZCTEOSA-N 0 1 291.435 3.811 20 10 CHCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000380720272 1129832344 /nfs/dbraw/zinc/83/23/44/1129832344.db2.gz ABNNNJIWDZAVHW-DTWKUNHWSA-N 0 1 274.191 3.929 20 10 CHCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c(C)c1 ZINC000113324257 1129836561 /nfs/dbraw/zinc/83/65/61/1129836561.db2.gz VYXXAQXQLPTYBD-UHFFFAOYSA-N 0 1 275.779 3.952 20 10 CHCDMN Cn1cccc1[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000768199820 1129839180 /nfs/dbraw/zinc/83/91/80/1129839180.db2.gz ZITJNQYMTMYDNE-OAHLLOKOSA-N 0 1 290.794 3.721 20 10 CHCDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000768199820 1129839185 /nfs/dbraw/zinc/83/91/85/1129839185.db2.gz ZITJNQYMTMYDNE-OAHLLOKOSA-N 0 1 290.794 3.721 20 10 CHCDMN C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000768263519 1129848722 /nfs/dbraw/zinc/84/87/22/1129848722.db2.gz TZGHOKGUNVZVLE-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000768263519 1129848726 /nfs/dbraw/zinc/84/87/26/1129848726.db2.gz TZGHOKGUNVZVLE-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000768359958 1129853708 /nfs/dbraw/zinc/85/37/08/1129853708.db2.gz HYHXUFWNCWETFR-HNNXBMFYSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000768359958 1129853710 /nfs/dbraw/zinc/85/37/10/1129853710.db2.gz HYHXUFWNCWETFR-HNNXBMFYSA-N 0 1 288.778 3.778 20 10 CHCDMN C[C@@H](C1CC1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768420911 1129857410 /nfs/dbraw/zinc/85/74/10/1129857410.db2.gz IXSOZNAQLIHPLO-QMMMGPOBSA-N 0 1 274.191 3.929 20 10 CHCDMN COCC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000800492777 1129879134 /nfs/dbraw/zinc/87/91/34/1129879134.db2.gz OQSPZGRECYAQRO-LLVKDONJSA-N 0 1 283.799 3.513 20 10 CHCDMN CC[N@H+](CCc1ccccn1)Cc1c([O-])cccc1Cl ZINC000769039523 1129887795 /nfs/dbraw/zinc/88/77/95/1129887795.db2.gz XCUPOEFOWGJHCK-UHFFFAOYSA-N 0 1 290.794 3.505 20 10 CHCDMN CC[N@@H+](CCc1ccccn1)Cc1c([O-])cccc1Cl ZINC000769039523 1129887799 /nfs/dbraw/zinc/88/77/99/1129887799.db2.gz XCUPOEFOWGJHCK-UHFFFAOYSA-N 0 1 290.794 3.505 20 10 CHCDMN C[C@H]1CC(CC[NH2+]Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000801731313 1129940649 /nfs/dbraw/zinc/94/06/49/1129940649.db2.gz XWNDHESKSKINEX-RYUDHWBXSA-N 0 1 297.826 3.729 20 10 CHCDMN Cn1ccc2c1ccnc2-c1cnc2ccccc2c1 ZINC001239790499 1130108140 /nfs/dbraw/zinc/10/81/40/1130108140.db2.gz SQITZEQUWIYCCD-UHFFFAOYSA-N 0 1 259.312 3.789 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccc(Cl)cc1[O-] ZINC000903388771 1130169761 /nfs/dbraw/zinc/16/97/61/1130169761.db2.gz NMQWBIRRIRANPE-IAQYHMDHSA-N 0 1 295.810 3.798 20 10 CHCDMN C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001170112115 1130264039 /nfs/dbraw/zinc/26/40/39/1130264039.db2.gz HDRVPHCESCUCOU-WBMJQRKESA-N 0 1 255.361 3.824 20 10 CHCDMN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000826791026 1130282350 /nfs/dbraw/zinc/28/23/50/1130282350.db2.gz QLNBJHJWYCZCOP-INIZCTEOSA-N 0 1 298.430 3.508 20 10 CHCDMN C[C@]1(C2CC2)C[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000826877324 1130305307 /nfs/dbraw/zinc/30/53/07/1130305307.db2.gz DKHBAEJFAGGMNL-LJQANCHMSA-N 0 1 297.398 3.546 20 10 CHCDMN C[C@]1(C2CC2)C[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000826877324 1130305314 /nfs/dbraw/zinc/30/53/14/1130305314.db2.gz DKHBAEJFAGGMNL-LJQANCHMSA-N 0 1 297.398 3.546 20 10 CHCDMN Cc1nc(CN[C@H](C)c2cc(Cl)ccc2O)cs1 ZINC000756433240 1130423320 /nfs/dbraw/zinc/42/33/20/1130423320.db2.gz CFMCVJAIYVPOJT-MRVPVSSYSA-N 0 1 282.796 3.661 20 10 CHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000793231492 1130532954 /nfs/dbraw/zinc/53/29/54/1130532954.db2.gz OPZYBCNIWWCXGU-PSASIEDQSA-N 0 1 293.716 3.818 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1C1CC1 ZINC000811513825 1130620390 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ZINC001236793468 1131007987 /nfs/dbraw/zinc/00/79/87/1131007987.db2.gz KVTWBMPGSATYTP-QMMMGPOBSA-N 0 1 260.164 3.541 20 10 CHCDMN CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC001237049443 1131040562 /nfs/dbraw/zinc/04/05/62/1131040562.db2.gz FUBSUEJEONLPCZ-KBPBESRZSA-N 0 1 277.408 3.659 20 10 CHCDMN CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC001237049443 1131040569 /nfs/dbraw/zinc/04/05/69/1131040569.db2.gz FUBSUEJEONLPCZ-KBPBESRZSA-N 0 1 277.408 3.659 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237077107 1131045009 /nfs/dbraw/zinc/04/50/09/1131045009.db2.gz CVSYLEQQDXGIJN-QMMMGPOBSA-N 0 1 260.164 3.541 20 10 CHCDMN CC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237126104 1131056230 /nfs/dbraw/zinc/05/62/30/1131056230.db2.gz JAYJGCPDALAVEW-JTQLQIEISA-N 0 1 271.763 3.949 20 10 CHCDMN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237126104 1131056232 /nfs/dbraw/zinc/05/62/32/1131056232.db2.gz JAYJGCPDALAVEW-JTQLQIEISA-N 0 1 271.763 3.949 20 10 CHCDMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237126104 1131056238 /nfs/dbraw/zinc/05/62/38/1131056238.db2.gz JAYJGCPDALAVEW-JTQLQIEISA-N 0 1 271.763 3.949 20 10 CHCDMN CC1(C)CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125024 1131056379 /nfs/dbraw/zinc/05/63/79/1131056379.db2.gz QNZYBLIJMRZHSN-UHFFFAOYSA-N 0 1 271.763 3.807 20 10 CHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000816477932 1131096566 /nfs/dbraw/zinc/09/65/66/1131096566.db2.gz OJGYVXSQZNOCEV-AWEZNQCLSA-N 0 1 294.757 3.850 20 10 CHCDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816477751 1131096990 /nfs/dbraw/zinc/09/69/90/1131096990.db2.gz IXYHKJJNDNKIAE-UHFFFAOYSA-N 0 1 295.741 3.522 20 10 CHCDMN CCCCC[N@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816484076 1131098031 /nfs/dbraw/zinc/09/80/31/1131098031.db2.gz OWOVOFNVVKBJIN-UHFFFAOYSA-N 0 1 287.403 3.530 20 10 CHCDMN CCCCC[N@@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816484076 1131098036 /nfs/dbraw/zinc/09/80/36/1131098036.db2.gz OWOVOFNVVKBJIN-UHFFFAOYSA-N 0 1 287.403 3.530 20 10 CHCDMN C[N@@H+](Cc1ccsc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482648 1131099076 /nfs/dbraw/zinc/09/90/76/1131099076.db2.gz NZJUWAWRKZDJFJ-UHFFFAOYSA-N 0 1 285.771 3.878 20 10 CHCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCCCO1 ZINC000816495745 1131099734 /nfs/dbraw/zinc/09/97/34/1131099734.db2.gz IGUHHGQBYWKEQO-INIZCTEOSA-N 0 1 285.387 3.546 20 10 CHCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCCCO1 ZINC000816495745 1131099739 /nfs/dbraw/zinc/09/97/39/1131099739.db2.gz IGUHHGQBYWKEQO-INIZCTEOSA-N 0 1 285.387 3.546 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCC[C@H]2C2CC2)ccc2ccccc21 ZINC000816503952 1131101598 /nfs/dbraw/zinc/10/15/98/1131101598.db2.gz SKZZADWOAXFEIA-KRWDZBQOSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC[C@H]2C2CC2)ccc2ccccc21 ZINC000816503952 1131101600 /nfs/dbraw/zinc/10/16/00/1131101600.db2.gz SKZZADWOAXFEIA-KRWDZBQOSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1c(C[NH2+]CCc2ccsc2)ccc2ccccc21 ZINC000816532300 1131105201 /nfs/dbraw/zinc/10/52/01/1131105201.db2.gz AJUVYESECCJTTC-UHFFFAOYSA-N 0 1 283.396 3.939 20 10 CHCDMN [O-]c1c(C[NH2+]Cc2cccc(O)c2)ccc2ccccc21 ZINC000816544631 1131106815 /nfs/dbraw/zinc/10/68/15/1131106815.db2.gz NUTRMSMPTZCQTF-UHFFFAOYSA-N 0 1 279.339 3.541 20 10 CHCDMN CC[C@@]1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816586312 1131108705 /nfs/dbraw/zinc/10/87/05/1131108705.db2.gz FMGMZTAVFODULA-SFHVURJKSA-N 0 1 285.387 3.546 20 10 CHCDMN CC[C@@]1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816586312 1131108709 /nfs/dbraw/zinc/10/87/09/1131108709.db2.gz FMGMZTAVFODULA-SFHVURJKSA-N 0 1 285.387 3.546 20 10 CHCDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccncc1 ZINC000816554590 1131110260 /nfs/dbraw/zinc/11/02/60/1131110260.db2.gz CPRPQIFDTBTQTP-AWEZNQCLSA-N 0 1 292.382 3.834 20 10 CHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001139682705 1131112005 /nfs/dbraw/zinc/11/20/05/1131112005.db2.gz BEZAGXSMWMAMDV-NHYWBVRUSA-N 0 1 281.346 3.825 20 10 CHCDMN CC(C)C1C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816594736 1131114260 /nfs/dbraw/zinc/11/42/60/1131114260.db2.gz NUBQJMMQUBTJHA-UHFFFAOYSA-N 0 1 255.361 3.633 20 10 CHCDMN CC1(C)CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816610161 1131116600 /nfs/dbraw/zinc/11/66/00/1131116600.db2.gz ZXMNMHDGDNDKMH-HNNXBMFYSA-N 0 1 255.361 3.824 20 10 CHCDMN C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)CC1(F)F ZINC001237618080 1131118465 /nfs/dbraw/zinc/11/84/65/1131118465.db2.gz XLENLKZHOJRYJZ-MRVPVSSYSA-N 0 1 293.716 3.662 20 10 CHCDMN CC(C)[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000816674581 1131123000 /nfs/dbraw/zinc/12/30/00/1131123000.db2.gz DNJSOHVBHIKFGX-GOSISDBHSA-N 0 1 299.414 3.792 20 10 CHCDMN CC(C)[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000816674581 1131123002 /nfs/dbraw/zinc/12/30/02/1131123002.db2.gz DNJSOHVBHIKFGX-GOSISDBHSA-N 0 1 299.414 3.792 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001237799992 1131140802 /nfs/dbraw/zinc/14/08/02/1131140802.db2.gz LTXBOWSFFAQZLU-MNOVXSKESA-N 0 1 283.774 3.807 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cc(F)cc(Cl)c2[O-])cn1 ZINC001237801993 1131141329 /nfs/dbraw/zinc/14/13/29/1131141329.db2.gz JVRBJVBODUFMLA-UHFFFAOYSA-N 0 1 294.757 3.520 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)C1(C)C ZINC001116444286 1131146416 /nfs/dbraw/zinc/14/64/16/1131146416.db2.gz WIEHVXMPJKAWPO-UHFFFAOYSA-N 0 1 253.773 3.666 20 10 CHCDMN CC1(C)C[N@H+](Cc2cc(Cl)ccc2[O-])C1(C)C ZINC001116444286 1131146418 /nfs/dbraw/zinc/14/64/18/1131146418.db2.gz WIEHVXMPJKAWPO-UHFFFAOYSA-N 0 1 253.773 3.666 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[O-])C1(C)C ZINC001116444286 1131146421 /nfs/dbraw/zinc/14/64/21/1131146421.db2.gz WIEHVXMPJKAWPO-UHFFFAOYSA-N 0 1 253.773 3.666 20 10 CHCDMN C[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237940074 1131152991 /nfs/dbraw/zinc/15/29/91/1131152991.db2.gz ASZBCPSTUGLXJU-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN C[N@@H+](Cc1cccc(C2CC2)c1)Cc1ccccc1O ZINC000817406177 1131157885 /nfs/dbraw/zinc/15/78/85/1131157885.db2.gz SCZKXEOBBOOOAM-UHFFFAOYSA-N 0 1 267.372 3.902 20 10 CHCDMN Cc1cc(F)cc(C[N@H+]2CCC23CCCCC3)c1O ZINC001238064134 1131166825 /nfs/dbraw/zinc/16/68/25/1131166825.db2.gz OKRVAXNSJSDDKR-UHFFFAOYSA-N 0 1 263.356 3.748 20 10 CHCDMN CCOc1cc(C[N@H+]2CCc3cccc(O)c3C2)ccc1C ZINC001238077533 1131168123 /nfs/dbraw/zinc/16/81/23/1131168123.db2.gz SKKFMDPHHILSTM-UHFFFAOYSA-N 0 1 297.398 3.658 20 10 CHCDMN C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(Cl)ccc1[O-] ZINC000817958543 1131191397 /nfs/dbraw/zinc/19/13/97/1131191397.db2.gz XAZWMDXINYECOZ-NSHDSACASA-N 0 1 290.794 3.521 20 10 CHCDMN CC(=O)[C@@H]1CCCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859085 1131425411 /nfs/dbraw/zinc/42/54/11/1131425411.db2.gz IFIOLXFZFLMEBX-IBGZPJMESA-N 0 1 296.414 3.648 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001138128387 1131470340 /nfs/dbraw/zinc/47/03/40/1131470340.db2.gz GWGMRWVTTIAASH-UHFFFAOYSA-N 0 1 281.346 3.636 20 10 CHCDMN C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1O ZINC000824716151 1131480964 /nfs/dbraw/zinc/48/09/64/1131480964.db2.gz SHSSECGJKNTKDH-MWLCHTKSSA-N 0 1 291.288 3.694 20 10 CHCDMN COc1cccc(CN2CC3(CCC3)[C@H]2c2ccco2)c1O ZINC000825103434 1131495823 /nfs/dbraw/zinc/49/58/23/1131495823.db2.gz FGEBBNMPTWMNBS-QGZVFWFLSA-N 0 1 299.370 3.721 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccccn2)cc1Cl ZINC000825051072 1131495865 /nfs/dbraw/zinc/49/58/65/1131495865.db2.gz WUFPXMAATNGLPU-LLVKDONJSA-N 0 1 276.767 3.600 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1ccncc1 ZINC000825304410 1131505582 /nfs/dbraw/zinc/50/55/82/1131505582.db2.gz XFXLGAOXKDLORY-OAHLLOKOSA-N 0 1 290.794 3.990 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)c2nccs2)cc1Cl ZINC000825509949 1131513918 /nfs/dbraw/zinc/51/39/18/1131513918.db2.gz SRVAZSAYXJFCLN-SNVBAGLBSA-N 0 1 296.823 3.704 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@H+](CC1CC1)C1CC1 ZINC001140103594 1131663721 /nfs/dbraw/zinc/66/37/21/1131663721.db2.gz QEDJVFZOKTYHCW-UHFFFAOYSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@@H+](CC1CC1)C1CC1 ZINC001140103594 1131663725 /nfs/dbraw/zinc/66/37/25/1131663725.db2.gz QEDJVFZOKTYHCW-UHFFFAOYSA-N 0 1 296.208 3.529 20 10 CHCDMN Cc1ccc(C)c(C[N@H+]2Cc3ccc(F)cc3C2)c1O ZINC001140182658 1131674440 /nfs/dbraw/zinc/67/44/40/1131674440.db2.gz WHHJTXZXGRUIDV-UHFFFAOYSA-N 0 1 271.335 3.664 20 10 CHCDMN Cc1ccc(C)c(CN2Cc3ccc(F)cc3C2)c1O ZINC001140182658 1131674443 /nfs/dbraw/zinc/67/44/43/1131674443.db2.gz WHHJTXZXGRUIDV-UHFFFAOYSA-N 0 1 271.335 3.664 20 10 CHCDMN C[C@@]1(CC[NH2+]Cc2cc(Cl)ccc2[O-])C[C@]1(F)Cl ZINC000846036667 1131681599 /nfs/dbraw/zinc/68/15/99/1131681599.db2.gz NLYIBLYLXULRMR-CHWSQXEVSA-N 0 1 292.181 3.840 20 10 CHCDMN F[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000846122513 1131688892 /nfs/dbraw/zinc/68/88/92/1131688892.db2.gz NIODENSVNNBKMV-INIZCTEOSA-N 0 1 276.399 3.611 20 10 CHCDMN CCc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000846100648 1131689191 /nfs/dbraw/zinc/68/91/91/1131689191.db2.gz QVUDVUCPYMNVKX-UHFFFAOYSA-N 0 1 275.779 3.898 20 10 CHCDMN CCC[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])OC 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C[C@@H](c1ccccn1)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835043621 1131762482 /nfs/dbraw/zinc/76/24/82/1131762482.db2.gz ADNRAIJETNOKQX-WAVCKPEOSA-N 0 1 295.430 3.854 20 10 CHCDMN Cc1ccncc1CN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835051085 1131766195 /nfs/dbraw/zinc/76/61/95/1131766195.db2.gz CDOPRNWTPCUROO-WAYWQWQTSA-N 0 1 295.430 3.601 20 10 CHCDMN COc1cccc(CCC[N@@H+](C)Cc2ccc(C)cc2O)c1 ZINC001140957621 1131973940 /nfs/dbraw/zinc/97/39/40/1131973940.db2.gz FOHRWGQNJJQGTB-UHFFFAOYSA-N 0 1 299.414 3.774 20 10 CHCDMN CC(C)C1CC([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000714640233 1131974659 /nfs/dbraw/zinc/97/46/59/1131974659.db2.gz CGBPKYBKBKFYNB-UHFFFAOYSA-N 0 1 253.773 3.570 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1cccc(F)c1 ZINC000036778677 1131974897 /nfs/dbraw/zinc/97/48/97/1131974897.db2.gz SVFZADCFCNLRDT-UHFFFAOYSA-N 0 1 279.742 3.517 20 10 CHCDMN CN1CC[C@@H](OC2=CC(=O)C=CC2=NNc2ccccc2)C1 ZINC001229814324 1132120708 /nfs/dbraw/zinc/12/07/08/1132120708.db2.gz OPXCILYLFJVDKM-AMGRQBIBSA-N 0 1 297.358 3.891 20 10 CHCDMN COC1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000840792427 1132288116 /nfs/dbraw/zinc/28/81/16/1132288116.db2.gz LFOPTAPQHXQZPU-LMWSTFAQSA-N 0 1 297.826 3.962 20 10 CHCDMN CCC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CCOCC1 ZINC000840902132 1132305855 /nfs/dbraw/zinc/30/58/55/1132305855.db2.gz NCWGZODHZGUBSW-UHFFFAOYSA-N 0 1 297.826 3.650 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2CCC(C(F)F)CC2)c(Cl)c1 ZINC000840917028 1132306951 /nfs/dbraw/zinc/30/69/51/1132306951.db2.gz FLNZNHSQGIGSME-UHFFFAOYSA-N 0 1 289.753 3.831 20 10 CHCDMN COC[C@H]1CCCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840938177 1132310569 /nfs/dbraw/zinc/31/05/69/1132310569.db2.gz LPAAESJIJODXRC-ZDUSSCGKSA-N 0 1 297.826 3.603 20 10 CHCDMN COC[C@H]1CCCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840938177 1132310579 /nfs/dbraw/zinc/31/05/79/1132310579.db2.gz LPAAESJIJODXRC-ZDUSSCGKSA-N 0 1 297.826 3.603 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(Cl)c1 ZINC000840946859 1132311647 /nfs/dbraw/zinc/31/16/47/1132311647.db2.gz 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ZINC001231870804 1132383200 /nfs/dbraw/zinc/38/32/00/1132383200.db2.gz UTRSHPHHPWRDPH-AWEZNQCLSA-N 0 1 297.826 3.745 20 10 CHCDMN COCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001231870804 1132383209 /nfs/dbraw/zinc/38/32/09/1132383209.db2.gz UTRSHPHHPWRDPH-AWEZNQCLSA-N 0 1 297.826 3.745 20 10 CHCDMN Cc1ccc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841743504 1132386814 /nfs/dbraw/zinc/38/68/14/1132386814.db2.gz AGJOVDLIKNUWBA-NSHDSACASA-N 0 1 279.767 3.840 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cccnc1 ZINC000841743429 1132388419 /nfs/dbraw/zinc/38/84/19/1132388419.db2.gz GFZDCCWMDQNEOX-QWRGUYRKSA-N 0 1 276.767 3.852 20 10 CHCDMN CC1(F)CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001231879287 1132389703 /nfs/dbraw/zinc/38/97/03/1132389703.db2.gz BGOYKUXPIPFIKU-UHFFFAOYSA-N 0 1 273.351 3.869 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)ccc2ccccc21 ZINC001231879348 1132389761 /nfs/dbraw/zinc/38/97/61/1132389761.db2.gz CGPTXAFTCKNZNF-QAPCUYQASA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)ccc2ccccc21 ZINC001231879348 1132389770 /nfs/dbraw/zinc/38/97/70/1132389770.db2.gz CGPTXAFTCKNZNF-QAPCUYQASA-N 0 1 297.398 3.546 20 10 CHCDMN Cc1ncsc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746652 1132390031 /nfs/dbraw/zinc/39/00/31/1132390031.db2.gz JSNKQEWVSPAGHJ-QMMMGPOBSA-N 0 1 282.796 3.661 20 10 CHCDMN Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841753209 1132391806 /nfs/dbraw/zinc/39/18/06/1132391806.db2.gz DVSWETIRKZNEHW-LBPRGKRZSA-N 0 1 290.794 3.908 20 10 CHCDMN C[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231878779 1132391968 /nfs/dbraw/zinc/39/19/68/1132391968.db2.gz SXFBSPQGZWLCIS-ZDUSSCGKSA-N 0 1 255.361 3.920 20 10 CHCDMN C[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231878779 1132391972 /nfs/dbraw/zinc/39/19/72/1132391972.db2.gz SXFBSPQGZWLCIS-ZDUSSCGKSA-N 0 1 255.361 3.920 20 10 CHCDMN CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752886 1132392226 /nfs/dbraw/zinc/39/22/26/1132392226.db2.gz QZDPWMUPBIIPQV-XEGUGMAKSA-N 0 1 283.799 3.654 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001231910662 1132398241 /nfs/dbraw/zinc/39/82/41/1132398241.db2.gz PVKIDHUHTUYLHW-RYUDHWBXSA-N 0 1 265.784 3.668 20 10 CHCDMN Oc1c(Cl)cccc1CN1CCC[C@H]1C(F)(F)F ZINC001231909369 1132399701 /nfs/dbraw/zinc/39/97/01/1132399701.db2.gz BPMIHFJWCKNUMF-JTQLQIEISA-N 0 1 279.689 3.572 20 10 CHCDMN Cc1cccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001142508971 1132402746 /nfs/dbraw/zinc/40/27/46/1132402746.db2.gz RHIAPYWYBBMGSU-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001142524663 1132403414 /nfs/dbraw/zinc/40/34/14/1132403414.db2.gz GATMBJYWVBOWCQ-IAQYHMDHSA-N 0 1 281.346 3.825 20 10 CHCDMN COc1cc([O-])c(C[NH+]2CCC(C)(C)CC2)cc1Cl ZINC001232263898 1132445444 /nfs/dbraw/zinc/44/54/44/1132445444.db2.gz BTLUWGOGYVEHMH-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN CC[N@@H+](Cc1ccccc1O)Cc1nccc2ccccc21 ZINC001232250719 1132445544 /nfs/dbraw/zinc/44/55/44/1132445544.db2.gz CKBNMJWTTFGAKQ-UHFFFAOYSA-N 0 1 292.382 3.963 20 10 CHCDMN Oc1cc(O)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1Cl ZINC001232267801 1132446351 /nfs/dbraw/zinc/44/63/51/1132446351.db2.gz MEMHKEJRXYANLM-SMDDNHRTSA-N 0 1 295.810 3.906 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H](C)C2)cc1Cl ZINC001232266210 1132447349 /nfs/dbraw/zinc/44/73/49/1132447349.db2.gz KNPSUARFZRQZRS-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@@H](C)C2)cc1Cl ZINC001232266210 1132447352 /nfs/dbraw/zinc/44/73/52/1132447352.db2.gz KNPSUARFZRQZRS-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN Cc1c(F)cc(CN2CCc3cccc(O)c3C2)cc1F ZINC001232422916 1132469137 /nfs/dbraw/zinc/46/91/37/1132469137.db2.gz FRTAIJOAIPEPGW-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN C[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])CC(F)F ZINC000842889896 1132474654 /nfs/dbraw/zinc/47/46/54/1132474654.db2.gz IHQGFFBBGPGGLU-RKDXNWHRSA-N 0 1 277.742 3.988 20 10 CHCDMN CC1(CC(F)F)CN(Cc2cc(Cl)ccc2O)C1 ZINC000843424656 1132532683 /nfs/dbraw/zinc/53/26/83/1132532683.db2.gz FSGPKUDDULFMKZ-UHFFFAOYSA-N 0 1 275.726 3.523 20 10 CHCDMN CC(C)(C)c1ccc(O)c(CN2CCc3cccnc3C2)c1 ZINC001233286656 1132595886 /nfs/dbraw/zinc/59/58/86/1132595886.db2.gz DDTWTQGMYNCQRZ-UHFFFAOYSA-N 0 1 296.414 3.643 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)C[C@H]1C ZINC001233332630 1132601242 /nfs/dbraw/zinc/60/12/42/1132601242.db2.gz RSAOWUKDJHBAQJ-GHMZBOCLSA-N 0 1 269.335 3.538 20 10 CHCDMN Cc1ccc(CC[N@H+](C)Cc2c([O-])ccc(F)c2F)cc1 ZINC001233334932 1132604540 /nfs/dbraw/zinc/60/45/40/1132604540.db2.gz ACNJUVAUMPYYMK-UHFFFAOYSA-N 0 1 291.341 3.653 20 10 CHCDMN Cc1cc2ccccc2c(NCc2ccc(N)cc2)n1 ZINC001162785557 1133112926 /nfs/dbraw/zinc/11/29/26/1133112926.db2.gz GTYVPWGPJYJNBO-UHFFFAOYSA-N 0 1 263.344 3.738 20 10 CHCDMN Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203555574 1133339533 /nfs/dbraw/zinc/33/95/33/1133339533.db2.gz DRCFREUXWALKNL-QGZVFWFLSA-N 0 1 297.398 3.744 20 10 CHCDMN C[C@]1(F)CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204325816 1133438417 /nfs/dbraw/zinc/43/84/17/1133438417.db2.gz VPIBSJRKYYAHDU-KRWDZBQOSA-N 0 1 276.399 3.611 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1Cl ZINC001204767751 1133483372 /nfs/dbraw/zinc/48/33/72/1133483372.db2.gz CZGYVMYJJIUFOG-QWRGUYRKSA-N 0 1 285.840 3.680 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1Cl ZINC001204767751 1133483375 /nfs/dbraw/zinc/48/33/75/1133483375.db2.gz CZGYVMYJJIUFOG-QWRGUYRKSA-N 0 1 285.840 3.680 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1Cl ZINC001204767751 1133483378 /nfs/dbraw/zinc/48/33/78/1133483378.db2.gz CZGYVMYJJIUFOG-QWRGUYRKSA-N 0 1 285.840 3.680 20 10 CHCDMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001204769442 1133483415 /nfs/dbraw/zinc/48/34/15/1133483415.db2.gz UVDDDTFGXJXQDC-NXEZZACHSA-N 0 1 271.763 3.805 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1Cl ZINC001206762801 1133744703 /nfs/dbraw/zinc/74/47/03/1133744703.db2.gz PWJBYROYURDSFG-UPJWGTAASA-N 0 1 279.811 3.880 20 10 CHCDMN Cc1cc(Nc2cccc(F)c2O)c2ccccc2n1 ZINC001210195954 1134163624 /nfs/dbraw/zinc/16/36/24/1134163624.db2.gz NPKGKKCWIKBXEZ-UHFFFAOYSA-N 0 1 268.291 3.553 20 10 CHCDMN O=C1C=CC(=N[N-]c2cccc[nH+]2)C(OC[C@@H]2CCCO2)=C1 ZINC001227488263 1135840266 /nfs/dbraw/zinc/84/02/66/1135840266.db2.gz FHODYYDFLPQVFF-HVCBDAARSA-N 0 1 299.330 3.760 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000185782196 262070610 /nfs/dbraw/zinc/07/06/10/262070610.db2.gz QRNMFAKVDPLQTI-MNOVXSKESA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000020146096 171031953 /nfs/dbraw/zinc/03/19/53/171031953.db2.gz KGIQNGDCTUPAQT-GFCCVEGCSA-N 0 1 290.357 3.882 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000037328778 173129115 /nfs/dbraw/zinc/12/91/15/173129115.db2.gz FRCWCTLFZFMMQM-JTQLQIEISA-N 0 1 283.799 3.725 20 10 CHCDMN CC[C@@](C)(NCc1cc(C)ccc1O)c1nccs1 ZINC000152628831 261066787 /nfs/dbraw/zinc/06/67/87/261066787.db2.gz VQLDTDKGGLSZBS-OAHLLOKOSA-N 0 1 276.405 3.572 20 10 CHCDMN COc1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000184884049 262032303 /nfs/dbraw/zinc/03/23/03/262032303.db2.gz GAXGKLWVKNRMLU-LLVKDONJSA-N 0 1 291.778 3.905 20 10 CHCDMN C[C@@H](NCc1nccs1)c1cc2c(cc1O)CCCC2 ZINC000185087820 262040745 /nfs/dbraw/zinc/04/07/45/262040745.db2.gz YXRRFYDPSVQYDH-LLVKDONJSA-N 0 1 288.416 3.578 20 10 CHCDMN COCCCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185232881 262047180 /nfs/dbraw/zinc/04/71/80/262047180.db2.gz PRLNVXRKZZFZTL-LLVKDONJSA-N 0 1 271.788 3.513 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc2ccccc2c1[O-] ZINC000186234539 262312049 /nfs/dbraw/zinc/31/20/49/262312049.db2.gz SZACOSGZDAOETR-HIFRSBDPSA-N 0 1 285.387 3.765 20 10 CHCDMN COC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000186153728 262312445 /nfs/dbraw/zinc/31/24/45/262312445.db2.gz QCDYXXGRXGGINU-SJCJKPOMSA-N 0 1 285.387 3.621 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc2ccccc2c1[O-] ZINC000185736221 327843570 /nfs/dbraw/zinc/84/35/70/327843570.db2.gz SIQJWTDBYXEYML-FMKPAKJESA-N 0 1 299.414 3.747 20 10 CHCDMN CCC[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000019480545 326855697 /nfs/dbraw/zinc/85/56/97/326855697.db2.gz LCXIVURDZVYPGJ-NSHDSACASA-N 0 1 272.186 3.605 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(F)ccc1[O-] ZINC000403360348 327156861 /nfs/dbraw/zinc/15/68/61/327156861.db2.gz MRCWYGATYOHJCW-LOWDOPEQSA-N 0 1 263.356 3.618 20 10 CHCDMN [O-]c1c(F)cccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000378497439 329053038 /nfs/dbraw/zinc/05/30/38/329053038.db2.gz PTHRPUBRCJVQJB-UHFFFAOYSA-N 0 1 299.345 3.526 20 10 CHCDMN CC[C@@H](N[C@@H](C)c1nnc(C)s1)c1ccc(C)cc1O ZINC000280126270 522915663 /nfs/dbraw/zinc/91/56/63/522915663.db2.gz ORGKINCXGNHVPP-GXFFZTMASA-N 0 1 291.420 3.662 20 10 CHCDMN COc1ccc(C)cc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000079249402 523857951 /nfs/dbraw/zinc/85/79/51/523857951.db2.gz STEITIMCBVELDM-AWEZNQCLSA-N 0 1 297.398 3.789 20 10 CHCDMN C[C@H](NCc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000051016881 525442834 /nfs/dbraw/zinc/44/28/34/525442834.db2.gz GNMWDNCGCGGIFZ-LBPRGKRZSA-N 0 1 290.357 3.882 20 10 CHCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000050286496 525530857 /nfs/dbraw/zinc/53/08/57/525530857.db2.gz UAQLGLZIKXACHK-CYBMUJFWSA-N 0 1 270.376 3.513 20 10 CHCDMN Cc1ccoc1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000292761258 525797934 /nfs/dbraw/zinc/79/79/34/525797934.db2.gz JOFMYCVDLCGWHR-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN Cc1ccc(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)o1 ZINC001177250573 1121721339 /nfs/dbraw/zinc/72/13/39/1121721339.db2.gz NEUAPSGSJUGLEG-UHFFFAOYSA-N 0 1 279.767 3.588 20 10 CHCDMN CC(C)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCS1 ZINC000775735788 1122929933 /nfs/dbraw/zinc/92/99/33/1122929933.db2.gz WUGKHLSXVTXIIA-ZDUSSCGKSA-N 0 1 285.840 3.619 20 10 CHCDMN CC[C@H](N[C@H](C)c1cscn1)c1ccc(C)cc1O ZINC000850511710 1123278081 /nfs/dbraw/zinc/27/80/81/1123278081.db2.gz LRDYUYQLOMRFSK-YPMHNXCESA-N 0 1 276.405 3.959 20 10 CHCDMN C[C@H]([NH2+]CC1=CCCC1)c1ccc(Cl)cc1[O-] ZINC000850556215 1123291020 /nfs/dbraw/zinc/29/10/20/1123291020.db2.gz DRTSBRULMCVKTF-JTQLQIEISA-N 0 1 251.757 3.807 20 10 CHCDMN COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825316516 1131506698 /nfs/dbraw/zinc/50/66/98/1131506698.db2.gz VUQOQYHJBYHOEK-LLVKDONJSA-N 0 1 285.815 3.647 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000840860941 1132297878 /nfs/dbraw/zinc/29/78/78/1132297878.db2.gz YBWJTPYOXQGFTQ-GAFUQQFSSA-N 0 1 285.840 3.980 20 10 CHCDMN CC1(C)CCC[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415687 1132619037 /nfs/dbraw/zinc/61/90/37/1132619037.db2.gz FRZVUCXCEWKHHS-UHFFFAOYSA-N 0 1 273.298 3.785 20 10 CHCDMN CC1(C)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233454248 1132625738 /nfs/dbraw/zinc/62/57/38/1132625738.db2.gz NKRPGPJCFGETBX-UHFFFAOYSA-N 0 1 273.298 3.643 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000884482665 1125567662 /nfs/dbraw/zinc/56/76/62/1125567662.db2.gz GEDKAKKDTFRYBR-HNAYVOBHSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000884482665 1125567667 /nfs/dbraw/zinc/56/76/67/1125567667.db2.gz GEDKAKKDTFRYBR-HNAYVOBHSA-N 0 1 297.398 3.546 20 10 CHCDMN CC[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000134978274 1125572667 /nfs/dbraw/zinc/57/26/67/1125572667.db2.gz ADWULJAFIUERPW-ZDUSSCGKSA-N 0 1 255.361 3.777 20 10 CHCDMN CC[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000134978274 1125572678 /nfs/dbraw/zinc/57/26/78/1125572678.db2.gz ADWULJAFIUERPW-ZDUSSCGKSA-N 0 1 255.361 3.777 20 10 CHCDMN Cc1ccncc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841759369 1125599655 /nfs/dbraw/zinc/59/96/55/1125599655.db2.gz YYSXYALGDJURND-LLVKDONJSA-N 0 1 276.767 3.600 20 10 CHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1c(O)cccc1Cl ZINC000129019149 1126917138 /nfs/dbraw/zinc/91/71/38/1126917138.db2.gz NDCPGIXPRUFLKG-SNVBAGLBSA-N 0 1 273.829 3.619 20 10 CHCDMN CSCC[C@@H](C)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000129019149 1126917140 /nfs/dbraw/zinc/91/71/40/1126917140.db2.gz NDCPGIXPRUFLKG-SNVBAGLBSA-N 0 1 273.829 3.619 20 10 CHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000129019149 1126917142 /nfs/dbraw/zinc/91/71/42/1126917142.db2.gz NDCPGIXPRUFLKG-SNVBAGLBSA-N 0 1 273.829 3.619 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc2ccccc2c1[O-] ZINC000187975089 1126917717 /nfs/dbraw/zinc/91/77/17/1126917717.db2.gz QPRHFEQVTDMZFN-SIIHOXLZSA-N 0 1 299.414 3.747 20 10 CHCDMN CC(C)N(Cc1cncs1)Cc1ccc(N(C)C)cc1 ZINC000271058236 1127067131 /nfs/dbraw/zinc/06/71/31/1127067131.db2.gz FBZOKARZFZOMGV-UHFFFAOYSA-N 0 1 289.448 3.620 20 10 CHCDMN CCC[N@@H+](Cc1c([O-])cc(OC)cc1Cl)CC(C)C ZINC001236809490 1131010988 /nfs/dbraw/zinc/01/09/88/1131010988.db2.gz WDGIAENSZILBBE-UHFFFAOYSA-N 0 1 285.815 3.922 20 10 CHCDMN CCC[N@H+](Cc1c([O-])cc(OC)cc1Cl)CC(C)C ZINC001236809490 1131010991 /nfs/dbraw/zinc/01/09/91/1131010991.db2.gz WDGIAENSZILBBE-UHFFFAOYSA-N 0 1 285.815 3.922 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)[C@@H](C)C1 ZINC001237123000 1131054213 /nfs/dbraw/zinc/05/42/13/1131054213.db2.gz AUFVOHXOBXLEPY-UWVGGRQHSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)[C@@H](C)C1 ZINC001237123000 1131054217 /nfs/dbraw/zinc/05/42/17/1131054217.db2.gz AUFVOHXOBXLEPY-UWVGGRQHSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)[C@@H](C)C1 ZINC001237123000 1131054225 /nfs/dbraw/zinc/05/42/25/1131054225.db2.gz AUFVOHXOBXLEPY-UWVGGRQHSA-N 0 1 271.763 3.805 20 10 CHCDMN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2c(F)cncc2F)c1 ZINC000285731449 1127241648 /nfs/dbraw/zinc/24/16/48/1127241648.db2.gz QTYWWSGWYCKREH-QWRGUYRKSA-N 0 1 292.329 3.786 20 10 CHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000226563152 1127411007 /nfs/dbraw/zinc/41/10/07/1127411007.db2.gz OSZUWEZZXMIBPE-HNNXBMFYSA-N 0 1 263.356 3.686 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000761226405 1127552631 /nfs/dbraw/zinc/55/26/31/1127552631.db2.gz QYQHKVRDRYGHIJ-UHFFFAOYSA-N 0 1 298.770 3.576 20 10 CHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001237938056 1129221350 /nfs/dbraw/zinc/22/13/50/1129221350.db2.gz XGRBGPAXZAJYIQ-MRVPVSSYSA-N 0 1 293.716 3.662 20 10 CHCDMN C[C@@H]([NH2+]CCC(C)(F)F)c1cc(Cl)ccc1[O-] ZINC000297477471 1127697899 /nfs/dbraw/zinc/69/78/99/1127697899.db2.gz YYSXCSGDYADDNR-MRVPVSSYSA-N 0 1 263.715 3.742 20 10 CHCDMN C[C@@H]1CCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000230667131 1127771076 /nfs/dbraw/zinc/77/10/76/1127771076.db2.gz NSKAFBHDCSXJPW-MNOVXSKESA-N 0 1 253.773 3.571 20 10 CHCDMN C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CCC[C@@H]1C ZINC001233074689 1127923519 /nfs/dbraw/zinc/92/35/19/1127923519.db2.gz SSRBBMRRWIYDBX-QWRGUYRKSA-N 0 1 269.335 3.538 20 10 CHCDMN CCC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233334875 1127953585 /nfs/dbraw/zinc/95/35/85/1127953585.db2.gz XKMDKISJGPHUFX-NSHDSACASA-N 0 1 269.335 3.825 20 10 CHCDMN CCCCN(Cc1ccccc1O)[C@@H](C)c1ncccn1 ZINC000930350969 1128072997 /nfs/dbraw/zinc/07/29/97/1128072997.db2.gz LDLKPRAKWGZLFD-AWEZNQCLSA-N 0 1 285.391 3.546 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000927028456 1128208784 /nfs/dbraw/zinc/20/87/84/1128208784.db2.gz ADDHDUFTMDCXMQ-CKYFFXLPSA-N 0 1 285.840 3.980 20 10 CHCDMN C[C@H]([N@H+](C)Cc1c([O-])ccc2ccncc21)C(C)(C)C ZINC000914569540 1128211747 /nfs/dbraw/zinc/21/17/47/1128211747.db2.gz XMNNAIPQNKABCT-LBPRGKRZSA-N 0 1 272.392 3.807 20 10 CHCDMN C[C@H]([N@@H+](C)Cc1c([O-])ccc2ccncc21)C(C)(C)C ZINC000914569540 1128211750 /nfs/dbraw/zinc/21/17/50/1128211750.db2.gz XMNNAIPQNKABCT-LBPRGKRZSA-N 0 1 272.392 3.807 20 10 CHCDMN CCCC[N@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000914783770 1128242787 /nfs/dbraw/zinc/24/27/87/1128242787.db2.gz FIQSZQOCSFQMDL-UHFFFAOYSA-N 0 1 270.376 3.705 20 10 CHCDMN CCCC[N@@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000914783770 1128242789 /nfs/dbraw/zinc/24/27/89/1128242789.db2.gz FIQSZQOCSFQMDL-UHFFFAOYSA-N 0 1 270.376 3.705 20 10 CHCDMN Cc1cccc(OCC[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000042896023 1128588951 /nfs/dbraw/zinc/58/89/51/1128588951.db2.gz YRRSWSQIUTTYKX-UHFFFAOYSA-N 0 1 291.778 3.523 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000156053217 1128624110 /nfs/dbraw/zinc/62/41/10/1128624110.db2.gz SIMKLQHHCDIBCO-UHFFFAOYSA-N 0 1 293.716 3.820 20 10 CHCDMN c1ccc2c(c1)OCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921487146 1128709441 /nfs/dbraw/zinc/70/94/41/1128709441.db2.gz CERBYFRINNUTNT-KRWDZBQOSA-N 0 1 295.382 3.625 20 10 CHCDMN COc1ccccc1[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921487882 1128710734 /nfs/dbraw/zinc/71/07/34/1128710734.db2.gz ZWUZJWUNPXDXLH-AWEZNQCLSA-N 0 1 297.398 3.871 20 10 CHCDMN CCc1nc(CN[C@@H](C)c2ccc(C)cc2O)cs1 ZINC000185397293 1117820290 /nfs/dbraw/zinc/82/02/90/1117820290.db2.gz KWQAPNXWEDWYRY-NSHDSACASA-N 0 1 276.405 3.570 20 10 CHCDMN CC[N@@H+](Cc1cnc(Cl)s1)Cc1ccccc1O ZINC001209472047 1118068986 /nfs/dbraw/zinc/06/89/86/1118068986.db2.gz CHLQWGBXAFCAJX-UHFFFAOYSA-N 0 1 282.796 3.524 20 10 CHCDMN CCN(Cc1cnc(Cl)s1)Cc1ccccc1O ZINC001209472047 1118068991 /nfs/dbraw/zinc/06/89/91/1118068991.db2.gz CHLQWGBXAFCAJX-UHFFFAOYSA-N 0 1 282.796 3.524 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000842927038 1118170132 /nfs/dbraw/zinc/17/01/32/1118170132.db2.gz CHVPWNPJFPNAIE-JIMOISOXSA-N 0 1 285.840 3.980 20 10 CHCDMN CC(C)=CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000188447007 1128762326 /nfs/dbraw/zinc/76/23/26/1128762326.db2.gz OFTVBKBGVZQVKI-SNVBAGLBSA-N 0 1 284.197 3.772 20 10 CHCDMN COc1cnccc1[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000188784397 1128765184 /nfs/dbraw/zinc/76/51/84/1128765184.db2.gz FZOPBZKCVNAPFZ-KBPBESRZSA-N 0 1 299.418 3.568 20 10 CHCDMN Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2c2nccs2)c1O ZINC001140182746 1118250529 /nfs/dbraw/zinc/25/05/29/1118250529.db2.gz YTFOSIMJNIYQLO-CQSZACIVSA-N 0 1 288.416 3.803 20 10 CHCDMN CC[C@@H](NCc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC001658800163 1118472679 /nfs/dbraw/zinc/47/26/79/1118472679.db2.gz AAASJNDUOUGSPT-SECBINFHSA-N 0 1 285.668 3.615 20 10 CHCDMN CC1(C)CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706834291 1118549084 /nfs/dbraw/zinc/54/90/84/1118549084.db2.gz UCDORHFGLIQWLZ-SNVBAGLBSA-N 0 1 298.224 3.823 20 10 CHCDMN [O-]c1cccc(Br)c1C[NH2+]CC1CCCCC1 ZINC000706843032 1118552861 /nfs/dbraw/zinc/55/28/61/1118552861.db2.gz LTSVPYPPAZMFST-UHFFFAOYSA-N 0 1 298.224 3.825 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707145859 1118648310 /nfs/dbraw/zinc/64/83/10/1118648310.db2.gz JJWUYTCHYYMASP-PHIMTYICSA-N 0 1 298.224 3.633 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707145859 1118648313 /nfs/dbraw/zinc/64/83/13/1118648313.db2.gz JJWUYTCHYYMASP-PHIMTYICSA-N 0 1 298.224 3.633 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001140466224 1118751691 /nfs/dbraw/zinc/75/16/91/1118751691.db2.gz BUAZNMGEZAUUKW-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001140466224 1118751693 /nfs/dbraw/zinc/75/16/93/1118751693.db2.gz BUAZNMGEZAUUKW-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN CCC[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708132495 1119224266 /nfs/dbraw/zinc/22/42/66/1119224266.db2.gz DBEGRLFXBHYGOU-UHFFFAOYSA-N 0 1 292.604 3.650 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@@H]1CCOC1 ZINC000168800994 1119478798 /nfs/dbraw/zinc/47/87/98/1119478798.db2.gz SJFWPODATBDRFA-VNHYZAJKSA-N 0 1 285.387 3.621 20 10 CHCDMN CC(C)c1ncc(CN(C)Cc2ccccc2O)s1 ZINC000091956519 1119734739 /nfs/dbraw/zinc/73/47/39/1119734739.db2.gz GBUDGBXGDQGVTI-UHFFFAOYSA-N 0 1 276.405 3.604 20 10 CHCDMN CCC(CC)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163933930 1120024236 /nfs/dbraw/zinc/02/42/36/1120024236.db2.gz NOYANXBHCVSGEE-UHFFFAOYSA-N 0 1 286.213 3.681 20 10 CHCDMN CC(C)[C@H](C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000164309378 1120031030 /nfs/dbraw/zinc/03/10/30/1120031030.db2.gz ADBIBOKVRUANIG-SNVBAGLBSA-N 0 1 286.213 3.536 20 10 CHCDMN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000312026337 1120255426 /nfs/dbraw/zinc/25/54/26/1120255426.db2.gz XMGBFAVMFDTXIU-WQGACYEGSA-N 0 1 255.361 3.995 20 10 CHCDMN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)CC1CC1 ZINC000069797434 1128908121 /nfs/dbraw/zinc/90/81/21/1128908121.db2.gz ZIZFXQLBFOUUTP-UHFFFAOYSA-N 0 1 285.387 3.786 20 10 CHCDMN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)CC1CC1 ZINC000069797434 1128908125 /nfs/dbraw/zinc/90/81/25/1128908125.db2.gz ZIZFXQLBFOUUTP-UHFFFAOYSA-N 0 1 285.387 3.786 20 10 CHCDMN CCCC[N@@H+](CCc1cccnc1)Cc1ccccc1O ZINC000282334735 1120416959 /nfs/dbraw/zinc/41/69/59/1120416959.db2.gz BGDQSFPJKXHIKH-UHFFFAOYSA-N 0 1 284.403 3.632 20 10 CHCDMN CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000188579821 1120459248 /nfs/dbraw/zinc/45/92/48/1120459248.db2.gz KDVTUMLJKOGUIC-IBGZPJMESA-N 0 1 299.414 3.555 20 10 CHCDMN COc1ccc(O)c([C@H](C)NCc2ccsc2Cl)c1 ZINC000312763274 1120615563 /nfs/dbraw/zinc/61/55/63/1120615563.db2.gz PBDGDDMOVKVGEX-VIFPVBQESA-N 0 1 297.807 3.967 20 10 CHCDMN CC(C)(C)C(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000310109586 1120793996 /nfs/dbraw/zinc/79/39/96/1120793996.db2.gz DXYMYXMPMHIITI-UHFFFAOYSA-N 0 1 255.789 3.960 20 10 CHCDMN CC(C)[N@@H+](Cc1cccc(Br)c1[O-])C1CCC1 ZINC000093608351 1120831139 /nfs/dbraw/zinc/83/11/39/1120831139.db2.gz GYFQRMSATNEXEU-UHFFFAOYSA-N 0 1 298.224 3.918 20 10 CHCDMN C[N@@H+](CCC1CC1)Cc1c(O)ccc2ccccc21 ZINC000162899121 1120924939 /nfs/dbraw/zinc/92/49/39/1120924939.db2.gz ZVYJMBAREUWMFT-UHFFFAOYSA-N 0 1 255.361 3.777 20 10 CHCDMN C[N@H+](CCC1CC1)Cc1c([O-])ccc2ccccc21 ZINC000162899121 1120924944 /nfs/dbraw/zinc/92/49/44/1120924944.db2.gz ZVYJMBAREUWMFT-UHFFFAOYSA-N 0 1 255.361 3.777 20 10 CHCDMN C[N@@H+](CCC1CC1)Cc1c([O-])ccc2ccccc21 ZINC000162899121 1120924949 /nfs/dbraw/zinc/92/49/49/1120924949.db2.gz ZVYJMBAREUWMFT-UHFFFAOYSA-N 0 1 255.361 3.777 20 10 CHCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000162911983 1120947533 /nfs/dbraw/zinc/94/75/33/1120947533.db2.gz FFLOXTHCYPDINO-RKDXNWHRSA-N 0 1 274.191 3.929 20 10 CHCDMN Oc1c(CNc2ccc3ncsc3c2)ccc(F)c1F ZINC000700764784 1121121360 /nfs/dbraw/zinc/12/13/60/1121121360.db2.gz HMDYDBKSGSQOCJ-UHFFFAOYSA-N 0 1 292.310 3.892 20 10 CHCDMN C[C@H](NCc1cc(F)ccc1F)c1cc(F)ccc1O ZINC000094618217 1121215839 /nfs/dbraw/zinc/21/58/39/1121215839.db2.gz NZGKVLWFIFNGGD-VIFPVBQESA-N 0 1 281.277 3.660 20 10 CHCDMN CCc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000703311239 1121246529 /nfs/dbraw/zinc/24/65/29/1121246529.db2.gz ZZWXCJPKXPNKOR-UHFFFAOYSA-N 0 1 263.287 3.845 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CCCS2)c(Cl)c1 ZINC001178161605 1121768297 /nfs/dbraw/zinc/76/82/97/1121768297.db2.gz PKGWWPGWWBVXBT-AWEZNQCLSA-N 0 1 285.840 3.729 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H]2C)c(Cl)c1 ZINC001179898774 1121919464 /nfs/dbraw/zinc/91/94/64/1121919464.db2.gz UIQUZOGPDXCUSL-GHMZBOCLSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H]2C)c(Cl)c1 ZINC001179898774 1121919473 /nfs/dbraw/zinc/91/94/73/1121919473.db2.gz UIQUZOGPDXCUSL-GHMZBOCLSA-N 0 1 253.773 3.584 20 10 CHCDMN COc1ccc(CN[C@H](C)c2cnn(C(C)C)c2)cc1C ZINC000732820734 1121941276 /nfs/dbraw/zinc/94/12/76/1121941276.db2.gz NQKCPAHJKQSUFP-CQSZACIVSA-N 0 1 287.407 3.632 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2C)cc1Cl ZINC001180438277 1121987710 /nfs/dbraw/zinc/98/77/10/1121987710.db2.gz XGUHBEVUSHAGPB-LLVKDONJSA-N 0 1 253.773 3.728 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC001180438277 1121987716 /nfs/dbraw/zinc/98/77/16/1121987716.db2.gz XGUHBEVUSHAGPB-LLVKDONJSA-N 0 1 253.773 3.728 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C2Cc3ccccc3C2)cc1Cl ZINC001180624304 1122000302 /nfs/dbraw/zinc/00/03/02/1122000302.db2.gz UZMXJXFOQPXJCR-UHFFFAOYSA-N 0 1 287.790 3.611 20 10 CHCDMN Oc1cc(F)c(Cl)cc1CN1Cc2ccccc2C1 ZINC000816504766 1122026926 /nfs/dbraw/zinc/02/69/26/1122026926.db2.gz AWJVVNUWNVLOID-UHFFFAOYSA-N 0 1 277.726 3.701 20 10 CHCDMN CC[N@H+](CCSC)Cc1c([O-])cc(C)cc1Cl ZINC001182742656 1122186734 /nfs/dbraw/zinc/18/67/34/1122186734.db2.gz GBNCJXCMAZDDGO-UHFFFAOYSA-N 0 1 273.829 3.539 20 10 CHCDMN CC[N@@H+](CCSC)Cc1c([O-])cc(C)cc1Cl ZINC001182742656 1122186739 /nfs/dbraw/zinc/18/67/39/1122186739.db2.gz GBNCJXCMAZDDGO-UHFFFAOYSA-N 0 1 273.829 3.539 20 10 CHCDMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001183168710 1122211393 /nfs/dbraw/zinc/21/13/93/1122211393.db2.gz AHFYLVADGLGLBD-YWVDXFKGSA-N 0 1 263.356 3.710 20 10 CHCDMN Cc1csc(C2(N[C@H](C)c3ccccc3O)CCC2)n1 ZINC000272793862 1122212924 /nfs/dbraw/zinc/21/29/24/1122212924.db2.gz AEVIZUYHDUTZFZ-GFCCVEGCSA-N 0 1 288.416 3.887 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000273347906 1122229480 /nfs/dbraw/zinc/22/94/80/1122229480.db2.gz BBCFRRYUCUGDAT-WOPDTQHZSA-N 0 1 283.799 3.511 20 10 CHCDMN Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000273363690 1122229820 /nfs/dbraw/zinc/22/98/20/1122229820.db2.gz DLSYWIMSZIQFAY-LLVKDONJSA-N 0 1 276.767 3.600 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000273505208 1122236784 /nfs/dbraw/zinc/23/67/84/1122236784.db2.gz QXAUBPBFKMCWEL-ZIBATOQPSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@@]1(F)CCCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203650877 1122415236 /nfs/dbraw/zinc/41/52/36/1122415236.db2.gz FMJDSDNEUMFEPV-CQSZACIVSA-N 0 1 271.763 3.760 20 10 CHCDMN C[C@@]1(F)CCCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203650877 1122415242 /nfs/dbraw/zinc/41/52/42/1122415242.db2.gz FMJDSDNEUMFEPV-CQSZACIVSA-N 0 1 271.763 3.760 20 10 CHCDMN Cc1ccc(O)c(CN(C)Cc2cc(C)ccc2F)c1 ZINC000775167526 1122465490 /nfs/dbraw/zinc/46/54/90/1122465490.db2.gz JRMLPVFSXBBZSF-UHFFFAOYSA-N 0 1 273.351 3.780 20 10 CHCDMN COc1cccc(F)c1[C@@H](C)N[C@H](C)c1ccccc1O ZINC000183533460 1129060810 /nfs/dbraw/zinc/06/08/10/1129060810.db2.gz PSCRNVLYHKQOMX-VXGBXAGGSA-N 0 1 289.350 3.952 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000775482853 1122615286 /nfs/dbraw/zinc/61/52/86/1122615286.db2.gz DJPHNBVPMRHUKR-CQSZACIVSA-N 0 1 276.767 3.682 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000775488562 1122620561 /nfs/dbraw/zinc/62/05/61/1122620561.db2.gz IZBFUZIMWYLEGE-NRUUGDAUSA-N 0 1 253.773 3.742 20 10 CHCDMN CC[C@H](NCc1cscn1)c1cc(Cl)ccc1O ZINC000775500087 1122627744 /nfs/dbraw/zinc/62/77/44/1122627744.db2.gz NVWRGGJMMJIFKR-LBPRGKRZSA-N 0 1 282.796 3.743 20 10 CHCDMN CC[C@@H]([NH2+]CCOCC1CC1)c1cc(Cl)ccc1[O-] ZINC000775503208 1122628615 /nfs/dbraw/zinc/62/86/15/1122628615.db2.gz DJLIMMHOGAKBAI-CQSZACIVSA-N 0 1 283.799 3.513 20 10 CHCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cn1 ZINC000775501469 1122628828 /nfs/dbraw/zinc/62/88/28/1122628828.db2.gz RHUJUSSLFJIKSA-LLVKDONJSA-N 0 1 288.778 3.521 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](CC)COC)c1cc(Cl)ccc1[O-] ZINC000775510204 1122631381 /nfs/dbraw/zinc/63/13/81/1122631381.db2.gz WQRWWTBPWKCNHE-WCQYABFASA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000775509466 1122633166 /nfs/dbraw/zinc/63/31/66/1122633166.db2.gz STDVXJOOFSFBTI-IUODEOHRSA-N 0 1 296.842 3.571 20 10 CHCDMN CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cc(Cl)ccc1[O-] ZINC000775514139 1122634870 /nfs/dbraw/zinc/63/48/70/1122634870.db2.gz XEYAHOMBODMLNG-HIFRSBDPSA-N 0 1 283.799 3.655 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775522611 1122639711 /nfs/dbraw/zinc/63/97/11/1122639711.db2.gz VPWFPNUDJNTOBV-TZMCWYRMSA-N 0 1 299.842 3.883 20 10 CHCDMN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])CC1CC1 ZINC000775656643 1122872003 /nfs/dbraw/zinc/87/20/03/1122872003.db2.gz LMBLLHIWPBXENV-UHFFFAOYSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H](NCc1cccc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000775834952 1122985808 /nfs/dbraw/zinc/98/58/08/1122985808.db2.gz WWEKYGFLKCGENU-GFCCVEGCSA-N 0 1 289.810 3.652 20 10 CHCDMN C[N@@H+](Cc1ccc(Br)cc1O)C1CCCC1 ZINC000691739532 1123023848 /nfs/dbraw/zinc/02/38/48/1123023848.db2.gz XVTJSGRPQZBENS-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN C[N@H+](Cc1ccc(Br)cc1[O-])C1CCCC1 ZINC000691739532 1123023852 /nfs/dbraw/zinc/02/38/52/1123023852.db2.gz XVTJSGRPQZBENS-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C1CCCC1 ZINC000691739532 1123023856 /nfs/dbraw/zinc/02/38/56/1123023856.db2.gz XVTJSGRPQZBENS-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN C[C@H](NCc1cscn1)c1ccc2ccccc2c1O ZINC000108941649 1123233975 /nfs/dbraw/zinc/23/39/75/1123233975.db2.gz JFPLWWUJAOKDIU-NSHDSACASA-N 0 1 284.384 3.853 20 10 CHCDMN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000850515576 1123278646 /nfs/dbraw/zinc/27/86/46/1123278646.db2.gz YYHHPDNHMSKDQC-QEJZJMRPSA-N 0 1 285.387 3.764 20 10 CHCDMN Cc1cccc(CN[C@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000895693154 1123505436 /nfs/dbraw/zinc/50/54/36/1123505436.db2.gz YZTRBBDJPMDXRJ-IRXDYDNUSA-N 0 1 285.362 3.816 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc2ccccc21 ZINC000895848599 1123521532 /nfs/dbraw/zinc/52/15/32/1123521532.db2.gz SEKLUKUBRXQVRZ-YJBOKZPZSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc2ccccc21 ZINC000895848599 1123521535 /nfs/dbraw/zinc/52/15/35/1123521535.db2.gz SEKLUKUBRXQVRZ-YJBOKZPZSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[NH2+]CC[C@H]2CC2(F)F)ccc2ccccc21 ZINC000857059713 1123583261 /nfs/dbraw/zinc/58/32/61/1123583261.db2.gz XIEHQYDPVFMEIX-ZDUSSCGKSA-N 0 1 277.314 3.680 20 10 CHCDMN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858086654 1123630409 /nfs/dbraw/zinc/63/04/09/1123630409.db2.gz LXEBPPPKWBVMDU-GFCCVEGCSA-N 0 1 290.357 3.882 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000858547927 1123661241 /nfs/dbraw/zinc/66/12/41/1123661241.db2.gz PMBBZLVKFDWNIU-INWMFGNUSA-N 0 1 295.810 3.654 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000858547933 1123661250 /nfs/dbraw/zinc/66/12/50/1123661250.db2.gz PMBBZLVKFDWNIU-NOLJZWGESA-N 0 1 295.810 3.654 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000858547925 1123661706 /nfs/dbraw/zinc/66/17/06/1123661706.db2.gz PMBBZLVKFDWNIU-DUVNUKRYSA-N 0 1 295.810 3.654 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccns1 ZINC000858576114 1123663656 /nfs/dbraw/zinc/66/36/56/1123663656.db2.gz IIYJXCMNJOWRFU-RKDXNWHRSA-N 0 1 282.796 3.914 20 10 CHCDMN CCN(Cc1cnc(C2CC2)o1)Cc1ccc(N(C)C)cc1 ZINC000862211009 1123792067 /nfs/dbraw/zinc/79/20/67/1123792067.db2.gz AABYZFCTJMIFGM-UHFFFAOYSA-N 0 1 299.418 3.640 20 10 CHCDMN [O-]c1c(C[NH+]2CC(Cc3ccco3)C2)ccc2ccccc21 ZINC000862487780 1123815154 /nfs/dbraw/zinc/81/51/54/1123815154.db2.gz VSWNGVKSKOWFDB-UHFFFAOYSA-N 0 1 293.366 3.813 20 10 CHCDMN C/C=C\C[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000862550491 1123819489 /nfs/dbraw/zinc/81/94/89/1123819489.db2.gz MEJJDQYZMZVETL-NQHOJNORSA-N 0 1 275.392 3.579 20 10 CHCDMN COCC1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000840882342 1123982984 /nfs/dbraw/zinc/98/29/84/1123982984.db2.gz TYTFDMSFRDVTOR-DCBWTQNWSA-N 0 1 297.826 3.901 20 10 CHCDMN COC1([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000840884905 1123997274 /nfs/dbraw/zinc/99/72/74/1123997274.db2.gz ROPBYZVIHFORGJ-MNOVXSKESA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@H]([NH2+]Cc1ccnc(F)c1)c1cc(Cl)ccc1[O-] ZINC000866472563 1124069020 /nfs/dbraw/zinc/06/90/20/1124069020.db2.gz BDYDOCYDHLGPCC-ZDUSSCGKSA-N 0 1 294.757 3.821 20 10 CHCDMN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2nccnc2C)cc1 ZINC000872133192 1124693069 /nfs/dbraw/zinc/69/30/69/1124693069.db2.gz LLUBFNSDTKJVQP-ZFWWWQNUSA-N 0 1 298.434 3.653 20 10 CHCDMN CCCOc1ccc(CNCc2ccnc(F)c2)cc1C ZINC000873149908 1124741404 /nfs/dbraw/zinc/74/14/04/1124741404.db2.gz GOIZBNTWZIVKHD-UHFFFAOYSA-N 0 1 288.366 3.608 20 10 CHCDMN Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c(O)c1 ZINC000876738800 1124972129 /nfs/dbraw/zinc/97/21/29/1124972129.db2.gz AZSAGSZCDPWEAS-KRWDZBQOSA-N 0 1 282.387 3.741 20 10 CHCDMN COCC(C)(C)CCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825933602 1125003612 /nfs/dbraw/zinc/00/36/12/1125003612.db2.gz BDSICUYMQXSAJL-UHFFFAOYSA-N 0 1 299.842 3.896 20 10 CHCDMN CCn1ccnc1[C@H]1CCCCN1Cc1ccc(C)cc1O ZINC000877494887 1125034810 /nfs/dbraw/zinc/03/48/10/1125034810.db2.gz VOIWQJHQFOVYNK-MRXNPFEDSA-N 0 1 299.418 3.644 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)ccc2ccccc21 ZINC000877806534 1125083156 /nfs/dbraw/zinc/08/31/56/1125083156.db2.gz PDKHIBIFTDXDPF-ZVZYQTTQSA-N 0 1 297.398 3.593 20 10 CHCDMN CCN(C)c1ccc([C@H](C)NCc2cccc(C)n2)cc1 ZINC000127229054 1125164391 /nfs/dbraw/zinc/16/43/91/1125164391.db2.gz LWJQWQCIIAUUOJ-HNNXBMFYSA-N 0 1 283.419 3.697 20 10 CHCDMN CC1(C)CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000211441163 1125306796 /nfs/dbraw/zinc/30/67/96/1125306796.db2.gz MHOYQFVVHJNHIX-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN CC1(C)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000211441163 1125306798 /nfs/dbraw/zinc/30/67/98/1125306798.db2.gz MHOYQFVVHJNHIX-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)C1CCOCC1 ZINC000897450249 1125418054 /nfs/dbraw/zinc/41/80/54/1125418054.db2.gz AZQKCCROUNVMSX-UHFFFAOYSA-N 0 1 297.826 3.588 20 10 CHCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1F ZINC000037764534 1129267042 /nfs/dbraw/zinc/26/70/42/1129267042.db2.gz YNODWLQZNOTTTD-LBPRGKRZSA-N 0 1 271.335 3.611 20 10 CHCDMN CN(C)c1ccc(CNc2nccn2-c2ccccc2)cc1 ZINC000795805964 1129447616 /nfs/dbraw/zinc/44/76/16/1129447616.db2.gz QSCRBXVKBGIRBE-UHFFFAOYSA-N 0 1 292.386 3.550 20 10 CHCDMN Cc1ccc(O)c(CNc2nccn2Cc2ccccc2)c1 ZINC000795804310 1129449049 /nfs/dbraw/zinc/44/90/49/1129449049.db2.gz WSNOHWMWMGBEPK-UHFFFAOYSA-N 0 1 293.370 3.558 20 10 CHCDMN [O-]c1ccccc1C[N@H+](CCCCF)C1CCCC1 ZINC000795912083 1129457370 /nfs/dbraw/zinc/45/73/70/1129457370.db2.gz NMMWEAOPDBDLLW-UHFFFAOYSA-N 0 1 265.372 3.887 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](CCCCF)C1CCCC1 ZINC000795912083 1129457372 /nfs/dbraw/zinc/45/73/72/1129457372.db2.gz NMMWEAOPDBDLLW-UHFFFAOYSA-N 0 1 265.372 3.887 20 10 CHCDMN CC1=C(C)C[N@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC000796019199 1129462687 /nfs/dbraw/zinc/46/26/87/1129462687.db2.gz ZPFVXNQOPLXROI-UHFFFAOYSA-N 0 1 296.208 3.697 20 10 CHCDMN CC1=C(C)C[N@@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC000796019199 1129462689 /nfs/dbraw/zinc/46/26/89/1129462689.db2.gz ZPFVXNQOPLXROI-UHFFFAOYSA-N 0 1 296.208 3.697 20 10 CHCDMN CC1=C(C)C[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000796021807 1129463212 /nfs/dbraw/zinc/46/32/12/1129463212.db2.gz WHOZVDIBPQXLBC-UHFFFAOYSA-N 0 1 251.757 3.588 20 10 CHCDMN CC1=C(C)C[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000796021807 1129463214 /nfs/dbraw/zinc/46/32/14/1129463214.db2.gz WHOZVDIBPQXLBC-UHFFFAOYSA-N 0 1 251.757 3.588 20 10 CHCDMN Cc1csc([C@H](C)NCc2cc(C)c(C)cc2O)n1 ZINC000742369881 1129471632 /nfs/dbraw/zinc/47/16/32/1129471632.db2.gz ZHGSHZGKVNIXRW-LBPRGKRZSA-N 0 1 276.405 3.625 20 10 CHCDMN CC[C@@]1(C)CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000743386114 1129521472 /nfs/dbraw/zinc/52/14/72/1129521472.db2.gz BGABQUITVAHXFX-SFHVURJKSA-N 0 1 284.403 3.953 20 10 CHCDMN 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1 299.414 3.749 20 10 CHCDMN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140342074 1131703635 /nfs/dbraw/zinc/70/36/35/1131703635.db2.gz SQCVBMAVYAYUQD-GFCCVEGCSA-N 0 1 287.790 3.992 20 10 CHCDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1c([O-])cccc1Cl ZINC001140342074 1131703636 /nfs/dbraw/zinc/70/36/36/1131703636.db2.gz SQCVBMAVYAYUQD-GFCCVEGCSA-N 0 1 287.790 3.992 20 10 CHCDMN C[C@@H]([NH2+]CCCC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834818755 1131707591 /nfs/dbraw/zinc/70/75/91/1131707591.db2.gz OPBSXOWOSNSBFN-GFCCVEGCSA-N 0 1 297.826 3.903 20 10 CHCDMN CCC1([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000834874632 1131715200 /nfs/dbraw/zinc/71/52/00/1131715200.db2.gz GBWHOTZXNJVNHD-SECBINFHSA-N 0 1 284.197 3.748 20 10 CHCDMN CC[C@@](C)(C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])OC ZINC000834883160 1131717818 /nfs/dbraw/zinc/71/78/18/1131717818.db2.gz ZOWPICLAQJKAPE-HZMBPMFUSA-N 0 1 271.788 3.511 20 10 CHCDMN CCCc1ncc(CN[C@@H](C)c2cc(Cl)ccc2O)o1 ZINC000834898271 1131721859 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C[N@@H+](CCc1cccs1)Cc1ccc(Cl)cc1O ZINC001140466936 1131752500 /nfs/dbraw/zinc/75/25/00/1131752500.db2.gz MVIZEFVFENQOSX-UHFFFAOYSA-N 0 1 281.808 3.782 20 10 CHCDMN C[N@H+](CCc1cccs1)Cc1ccc(Cl)cc1[O-] ZINC001140466936 1131752506 /nfs/dbraw/zinc/75/25/06/1131752506.db2.gz MVIZEFVFENQOSX-UHFFFAOYSA-N 0 1 281.808 3.782 20 10 CHCDMN C[N@@H+](CCc1cccs1)Cc1ccc(Cl)cc1[O-] ZINC001140466936 1131752509 /nfs/dbraw/zinc/75/25/09/1131752509.db2.gz MVIZEFVFENQOSX-UHFFFAOYSA-N 0 1 281.808 3.782 20 10 CHCDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C)cc1O ZINC001140957702 1131973829 /nfs/dbraw/zinc/97/38/29/1131973829.db2.gz KHBWPKDARNGMQK-HNNXBMFYSA-N 0 1 299.414 3.772 20 10 CHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccns1 ZINC000716023446 1132001209 /nfs/dbraw/zinc/00/12/09/1132001209.db2.gz WYEHCEGGPHLUKT-CYBMUJFWSA-N 0 1 287.432 3.594 20 10 CHCDMN C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1cc(F)ccc1[O-] ZINC000716073884 1132004788 /nfs/dbraw/zinc/00/47/88/1132004788.db2.gz VVNXLLBQVQYPBF-WDFAYWTNSA-N 0 1 295.423 3.856 20 10 CHCDMN Cc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(F)c1 ZINC001141195375 1132039394 /nfs/dbraw/zinc/03/93/94/1132039394.db2.gz LTDGILYNNZXQKR-UHFFFAOYSA-N 0 1 286.394 3.832 20 10 CHCDMN COC[C@@H]1CC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000840083747 1132246776 /nfs/dbraw/zinc/24/67/76/1132246776.db2.gz RBQLJXZONJWDLC-ZDUSSCGKSA-N 0 1 297.354 3.512 20 10 CHCDMN COC[C@@H]1CC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000840083747 1132246784 /nfs/dbraw/zinc/24/67/84/1132246784.db2.gz RBQLJXZONJWDLC-ZDUSSCGKSA-N 0 1 297.354 3.512 20 10 CHCDMN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000840764739 1132285187 /nfs/dbraw/zinc/28/51/87/1132285187.db2.gz YYHHPDNHMSKDQC-YUELXQCFSA-N 0 1 285.387 3.764 20 10 CHCDMN Cc1cccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840872960 1132299202 /nfs/dbraw/zinc/29/92/02/1132299202.db2.gz OKWGRCAGZJNZKG-UHFFFAOYSA-N 0 1 275.779 3.952 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)c2ccncc2)c(Cl)c1 ZINC000840903519 1132308469 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ZINC001231849971 1132379596 /nfs/dbraw/zinc/37/95/96/1132379596.db2.gz YAPFHOUHDJMCIK-UHFFFAOYSA-N 0 1 285.387 3.737 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCC[C@@]1(C)O ZINC001231879573 1132389379 /nfs/dbraw/zinc/38/93/79/1132389379.db2.gz IZCXNJXCKWVHOW-AUUYWEPGSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCC[C@@]1(C)O ZINC001231879573 1132389385 /nfs/dbraw/zinc/38/93/85/1132389385.db2.gz IZCXNJXCKWVHOW-AUUYWEPGSA-N 0 1 299.414 3.528 20 10 CHCDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])[C@@](C)(CO)C1 ZINC001231880000 1132390855 /nfs/dbraw/zinc/39/08/55/1132390855.db2.gz ZXIRGXWVVDDZDW-LJQANCHMSA-N 0 1 299.414 3.528 20 10 CHCDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@](C)(CO)C1 ZINC001231880000 1132390861 /nfs/dbraw/zinc/39/08/61/1132390861.db2.gz ZXIRGXWVVDDZDW-LJQANCHMSA-N 0 1 299.414 3.528 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)ccc2ccccc21 ZINC001231879381 1132391171 /nfs/dbraw/zinc/39/11/71/1132391171.db2.gz DECJKGSGNDSMGP-LJQANCHMSA-N 0 1 297.398 3.690 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@]3(C2)CCCCO3)ccc2ccccc21 ZINC001231879381 1132391180 /nfs/dbraw/zinc/39/11/80/1132391180.db2.gz DECJKGSGNDSMGP-LJQANCHMSA-N 0 1 297.398 3.690 20 10 CHCDMN CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841755522 1132391518 /nfs/dbraw/zinc/39/15/18/1132391518.db2.gz IHNDGUOIAAIRLV-GHMZBOCLSA-N 0 1 293.798 3.674 20 10 CHCDMN CCC[N@H+](Cc1cc(F)c(F)cc1[O-])CC(C)C ZINC001142531284 1132404327 /nfs/dbraw/zinc/40/43/27/1132404327.db2.gz RXMVRMCMTRZDSZ-UHFFFAOYSA-N 0 1 257.324 3.538 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)CC2)cc1Cl ZINC001232263827 1132444870 /nfs/dbraw/zinc/44/48/70/1132444870.db2.gz APVHAWIFCIGABZ-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)CC2)cc1Cl ZINC001232263827 1132444875 /nfs/dbraw/zinc/44/48/75/1132444875.db2.gz APVHAWIFCIGABZ-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN CCC[N@@H+](Cc1cc(Cl)c(O)cc1O)[C@H](C)CC ZINC001232257322 1132445300 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CC(C)(C)c1cccc(CN2CCc3ncccc3C2)c1O ZINC001143110299 1132504043 /nfs/dbraw/zinc/50/40/43/1132504043.db2.gz BXNTTYXRAYRSIW-UHFFFAOYSA-N 0 1 296.414 3.643 20 10 CHCDMN Oc1ccc(F)cc1CNC1(c2ccccc2Cl)CC1 ZINC000843418380 1132530428 /nfs/dbraw/zinc/53/04/28/1132530428.db2.gz COBDYATWTLGFBU-UHFFFAOYSA-N 0 1 291.753 3.964 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC23CCCCC3)ccc(F)c1F ZINC001233076469 1132569119 /nfs/dbraw/zinc/56/91/19/1132569119.db2.gz OVVOJZZPELMPBT-UHFFFAOYSA-N 0 1 267.319 3.579 20 10 CHCDMN CCC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](C)CC ZINC001233073839 1132569351 /nfs/dbraw/zinc/56/93/51/1132569351.db2.gz FFFJNLDBCNVLEH-JTQLQIEISA-N 0 1 257.324 3.681 20 10 CHCDMN C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079937 1132570127 /nfs/dbraw/zinc/57/01/27/1132570127.db2.gz NXSIDXFYQLPAAD-UMSPYCQHSA-N 0 1 269.335 3.681 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001233077743 1132570836 /nfs/dbraw/zinc/57/08/36/1132570836.db2.gz UBBVZQDKTRRPIE-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN Cc1ccc2c(c1)C[N@H+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233332082 1132603655 /nfs/dbraw/zinc/60/36/55/1132603655.db2.gz XYAXGKLHWZLHJZ-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233332013 1132604502 /nfs/dbraw/zinc/60/45/02/1132604502.db2.gz UDSMQSUKRMRZQW-LLVKDONJSA-N 0 1 289.325 3.790 20 10 CHCDMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455141 1132624809 /nfs/dbraw/zinc/62/48/09/1132624809.db2.gz XYEANVNDKVJNFA-GHMZBOCLSA-N 0 1 287.325 3.889 20 10 CHCDMN CC1(C)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233454248 1132625736 /nfs/dbraw/zinc/62/57/36/1132625736.db2.gz NKRPGPJCFGETBX-UHFFFAOYSA-N 0 1 273.298 3.643 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1C2CCC1CC2 ZINC001233454062 1132625863 /nfs/dbraw/zinc/62/58/63/1132625863.db2.gz FKKKSEWTMNHLJN-UHFFFAOYSA-N 0 1 271.282 3.538 20 10 CHCDMN Cc1ccc2[nH]ncc2c1Nc1ccc2c(c1)CCN2 ZINC001159522985 1132858728 /nfs/dbraw/zinc/85/87/28/1132858728.db2.gz RVLJFKHRTGIISW-UHFFFAOYSA-N 0 1 264.332 3.583 20 10 CHCDMN Cc1cc(Nc2cc(Cl)cc(Cl)c2[O-])cc[nH+]1 ZINC001174657358 1132951484 /nfs/dbraw/zinc/95/14/84/1132951484.db2.gz SGRDATDXUCUOJV-UHFFFAOYSA-N 0 1 269.131 3.568 20 10 CHCDMN Oc1ccccc1CN1CCc2ccc(Cl)cc2C1 ZINC001203547241 1133338376 /nfs/dbraw/zinc/33/83/76/1133338376.db2.gz JRXGAULADLTPMK-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN C[C@]1(CF)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203574212 1133341333 /nfs/dbraw/zinc/34/13/33/1133341333.db2.gz PWSGKBINWBOXJX-CYBMUJFWSA-N 0 1 292.181 3.881 20 10 CHCDMN Oc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1O ZINC001203878837 1133377945 /nfs/dbraw/zinc/37/79/45/1133377945.db2.gz DHHVMNLSLIXJEC-OAHLLOKOSA-N 0 1 287.334 3.574 20 10 CHCDMN C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204320905 1133436541 /nfs/dbraw/zinc/43/65/41/1133436541.db2.gz DCQHEKYKUKXWAQ-MRXNPFEDSA-N 0 1 295.430 3.665 20 10 CHCDMN C[C@@H]1c2cccn2CCN1Cc1ccc(N2CCCC2)cc1 ZINC001204320905 1133436543 /nfs/dbraw/zinc/43/65/43/1133436543.db2.gz DCQHEKYKUKXWAQ-MRXNPFEDSA-N 0 1 295.430 3.665 20 10 CHCDMN C[C@@]1(F)CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204325820 1133438835 /nfs/dbraw/zinc/43/88/35/1133438835.db2.gz VPIBSJRKYYAHDU-QGZVFWFLSA-N 0 1 276.399 3.611 20 10 CHCDMN CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@H]1C ZINC001205470635 1133580653 /nfs/dbraw/zinc/58/06/53/1133580653.db2.gz BEHYKYJAGMWUDP-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN CC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@H]1C ZINC001205470635 1133580656 /nfs/dbraw/zinc/58/06/56/1133580656.db2.gz BEHYKYJAGMWUDP-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001206517427 1133712926 /nfs/dbraw/zinc/71/29/26/1133712926.db2.gz SYJPATMLBHDLKH-SUNKGSAMSA-N 0 1 267.800 3.960 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCC12CCC2 ZINC001206516712 1133713002 /nfs/dbraw/zinc/71/30/02/1133713002.db2.gz CBELFWCLVSBLOS-AWEZNQCLSA-N 0 1 265.784 3.858 20 10 CHCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001206715734 1133735997 /nfs/dbraw/zinc/73/59/97/1133735997.db2.gz WNNXSEGZZHPXDX-GFCCVEGCSA-N 0 1 281.346 3.683 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCC2(CC2)CC1 ZINC001206999795 1133758287 /nfs/dbraw/zinc/75/82/87/1133758287.db2.gz OLQMPGZRKVNDRV-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCC2(CC2)CC1 ZINC001206999795 1133758293 /nfs/dbraw/zinc/75/82/93/1133758293.db2.gz OLQMPGZRKVNDRV-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001207129733 1133770417 /nfs/dbraw/zinc/77/04/17/1133770417.db2.gz QSADCVSTXSLQQF-ZACQAIPSSA-N 0 1 297.373 3.767 20 10 CHCDMN Cc1ccc(C)n1-c1ccc(CN2CC[C@@H](F)C2)cc1 ZINC001209516355 1134032114 /nfs/dbraw/zinc/03/21/14/1134032114.db2.gz DROUWQLNONASBP-MRXNPFEDSA-N 0 1 272.367 3.638 20 10 CHCDMN COc1cccc(CN(C)Cc2ccc(Cl)s2)c1O ZINC000162776243 261293842 /nfs/dbraw/zinc/29/38/42/261293842.db2.gz TVSBONJXZPMRQZ-UHFFFAOYSA-N 0 1 297.807 3.748 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(Cl)ccc1[O-] ZINC000184882978 262032387 /nfs/dbraw/zinc/03/23/87/262032387.db2.gz ZQOOGRWAMSNWJC-WDEREUQCSA-N 0 1 276.767 3.852 20 10 CHCDMN C[C@H](NCc1nccs1)c1cc2c(cc1O)CCCC2 ZINC000185087802 262041110 /nfs/dbraw/zinc/04/11/10/262041110.db2.gz YXRRFYDPSVQYDH-NSHDSACASA-N 0 1 288.416 3.578 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000185771778 262069759 /nfs/dbraw/zinc/06/97/59/262069759.db2.gz AASAGWINFRAWIS-MWKWWEEBSA-N 0 1 295.810 3.654 20 10 CHCDMN C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000186515157 262096354 /nfs/dbraw/zinc/09/63/54/262096354.db2.gz YCANDAKMZMTIHR-DGCLKSJQSA-N 0 1 283.799 3.655 20 10 CHCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1nccs1 ZINC000186727259 262107152 /nfs/dbraw/zinc/10/71/52/262107152.db2.gz JJRMKFHIZBPUCG-UWVGGRQHSA-N 0 1 296.823 3.956 20 10 CHCDMN C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1nccs1 ZINC000186727306 262107256 /nfs/dbraw/zinc/10/72/56/262107256.db2.gz JJRMKFHIZBPUCG-NXEZZACHSA-N 0 1 296.823 3.956 20 10 CHCDMN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000527925213 330296536 /nfs/dbraw/zinc/29/65/36/330296536.db2.gz IJEZJULSIRSTED-RYUDHWBXSA-N 0 1 283.799 3.513 20 10 CHCDMN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000528003898 330300396 /nfs/dbraw/zinc/30/03/96/330300396.db2.gz PBUSEUASCXHYLF-YQEZVOHVSA-N 0 1 283.799 3.508 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])c1cnn(C)c1 ZINC000273366853 334764859 /nfs/dbraw/zinc/76/48/59/334764859.db2.gz BRUFTYRQYWQBGO-CHWSQXEVSA-N 0 1 295.386 3.691 20 10 CHCDMN CCN(CC)c1ccc(CNCc2ncccc2C)cc1 ZINC000071339573 520907860 /nfs/dbraw/zinc/90/78/60/520907860.db2.gz PAHPPZDPEYSRCN-UHFFFAOYSA-N 0 1 283.419 3.526 20 10 CHCDMN CCC[N@@H+](Cc1cccc(C(=O)[O-])c1)Cc1ccccc1O ZINC000737020128 599770053 /nfs/dbraw/zinc/77/00/53/599770053.db2.gz QWBHZGVJNRSLDB-UHFFFAOYSA-N 0 1 299.370 3.503 20 10 CHCDMN Cc1cc(O)c(C[N@H+](CCC(=O)[O-])C(C)C)cc1C(C)C ZINC000738464006 600610394 /nfs/dbraw/zinc/61/03/94/600610394.db2.gz UOTDXNXGGSNKHW-UHFFFAOYSA-N 0 1 293.407 3.509 20 10 CHCDMN C[C@@H]1CCCCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000211443467 1118047444 /nfs/dbraw/zinc/04/74/44/1118047444.db2.gz UBYWENFTWGWBIV-LLVKDONJSA-N 0 1 253.773 3.810 20 10 CHCDMN CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584020 1119212823 /nfs/dbraw/zinc/21/28/23/1119212823.db2.gz DIAJHERTUMQGHO-FZMZJTMJSA-N 0 1 251.345 3.590 20 10 CHCDMN CCOc1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000113326419 1125494243 /nfs/dbraw/zinc/49/42/43/1125494243.db2.gz OQCUSBSAIOGNRV-UHFFFAOYSA-N 0 1 291.778 3.734 20 10 CHCDMN Cc1cc(F)cc(NCc2ccc(F)c(F)c2O)c1 ZINC000703396182 1121253420 /nfs/dbraw/zinc/25/34/20/1121253420.db2.gz XZULUYRMYLKSOQ-UHFFFAOYSA-N 0 1 267.250 3.730 20 10 CHCDMN C[N@H+](Cc1c(F)ccc(F)c1[O-])CC1CCCCC1 ZINC001139686160 1131628819 /nfs/dbraw/zinc/62/88/19/1131628819.db2.gz POGIKCYVRWXKKW-UHFFFAOYSA-N 0 1 269.335 3.683 20 10 CHCDMN C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000846203774 1131700068 /nfs/dbraw/zinc/70/00/68/1131700068.db2.gz BDCYZPKMHMFSAV-QWRGUYRKSA-N 0 1 283.799 3.511 20 10 CHCDMN COc1cc(O)c(C[N@H+]2CCC[C@H]2C(C)C)cc1Cl ZINC001232269360 1132447807 /nfs/dbraw/zinc/44/78/07/1132447807.db2.gz WZQISAMJLFNCNM-ZDUSSCGKSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C(C)C)cc1Cl ZINC001232269360 1132447811 /nfs/dbraw/zinc/44/78/11/1132447811.db2.gz WZQISAMJLFNCNM-ZDUSSCGKSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C(C)C)cc1Cl ZINC001232269360 1132447817 /nfs/dbraw/zinc/44/78/17/1132447817.db2.gz WZQISAMJLFNCNM-ZDUSSCGKSA-N 0 1 283.799 3.675 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000120213938 1125542268 /nfs/dbraw/zinc/54/22/68/1125542268.db2.gz HOGYPBKJNSSVOD-ZYHUDNBSSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000134978254 1125572133 /nfs/dbraw/zinc/57/21/33/1125572133.db2.gz ADWULJAFIUERPW-CYBMUJFWSA-N 0 1 255.361 3.777 20 10 CHCDMN CC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000134978254 1125572137 /nfs/dbraw/zinc/57/21/37/1125572137.db2.gz ADWULJAFIUERPW-CYBMUJFWSA-N 0 1 255.361 3.777 20 10 CHCDMN [O-]c1c(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)ccc2ccccc21 ZINC000826539025 1125755592 /nfs/dbraw/zinc/75/55/92/1125755592.db2.gz NLTWXYABVHDATK-YOEHRIQHSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)ccc2ccccc21 ZINC000826539025 1125755597 /nfs/dbraw/zinc/75/55/97/1125755597.db2.gz NLTWXYABVHDATK-YOEHRIQHSA-N 0 1 267.372 3.920 20 10 CHCDMN CN(Cc1cnc(C(C)(C)C)s1)Cc1ccccc1O ZINC000091974545 1125756501 /nfs/dbraw/zinc/75/65/01/1125756501.db2.gz BNOSLWIIINUPHV-UHFFFAOYSA-N 0 1 290.432 3.778 20 10 CHCDMN Cc1cnc(C(C)(C)NCc2ccc(N(C)C)cc2)s1 ZINC000175982464 1126788032 /nfs/dbraw/zinc/78/80/32/1126788032.db2.gz LDMNMNMLZRPCEA-UHFFFAOYSA-N 0 1 289.448 3.542 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C1CC1 ZINC000811513824 1130620465 /nfs/dbraw/zinc/62/04/65/1130620465.db2.gz RSAQBNWXQSKEKS-AWEZNQCLSA-N 0 1 283.774 3.805 20 10 CHCDMN CC(C)c1csc(CN[C@@H](C)c2cc(F)ccc2O)n1 ZINC000185808676 1126902770 /nfs/dbraw/zinc/90/27/70/1126902770.db2.gz CXNCHRJFYULUJQ-JTQLQIEISA-N 0 1 294.395 3.962 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236806965 1131012056 /nfs/dbraw/zinc/01/20/56/1131012056.db2.gz LLDJPRFRDYVILC-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN C[C@@]1(CF)CC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237076942 1131043129 /nfs/dbraw/zinc/04/31/29/1131043129.db2.gz AXNUZIPNHGQRRU-ZDUSSCGKSA-N 0 1 292.181 3.881 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001237619684 1131119885 /nfs/dbraw/zinc/11/98/85/1131119885.db2.gz BKPBDBZJHFHJQS-MRVPVSSYSA-N 0 1 297.679 3.569 20 10 CHCDMN C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc2ccccc2c1[O-] ZINC000698192233 1127185606 /nfs/dbraw/zinc/18/56/06/1127185606.db2.gz VETBCJWKJWAPNA-GXTWGEPZSA-N 0 1 253.345 3.915 20 10 CHCDMN Cc1cc(O)c(C[N@H+]2CCCC23CC3)cc1Br ZINC001237676527 1131126324 /nfs/dbraw/zinc/12/63/24/1131126324.db2.gz KGRHAAZTPAXQIK-UHFFFAOYSA-N 0 1 296.208 3.592 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000783311245 1127363480 /nfs/dbraw/zinc/36/34/80/1127363480.db2.gz UDPFBRNQHMNWRM-JFGNBEQYSA-N 0 1 298.224 3.994 20 10 CHCDMN C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000783311316 1127363526 /nfs/dbraw/zinc/36/35/26/1127363526.db2.gz VHSHPJXETVHWJH-MPPDQPJWSA-N 0 1 263.356 3.858 20 10 CHCDMN C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000783311314 1127363877 /nfs/dbraw/zinc/36/38/77/1127363877.db2.gz VHSHPJXETVHWJH-HNCHTBHHSA-N 0 1 263.356 3.858 20 10 CHCDMN C[C@H](NCc1cc(F)ccc1O)c1c(F)cccc1F ZINC000226585470 1127412334 /nfs/dbraw/zinc/41/23/34/1127412334.db2.gz CEPVZJUFSAEHQS-VIFPVBQESA-N 0 1 281.277 3.660 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001231868394 1127544567 /nfs/dbraw/zinc/54/45/67/1127544567.db2.gz UTBHXSWHKGMAAS-QWHCGFSZSA-N 0 1 279.811 3.976 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001231868394 1127544570 /nfs/dbraw/zinc/54/45/70/1127544570.db2.gz UTBHXSWHKGMAAS-QWHCGFSZSA-N 0 1 279.811 3.976 20 10 CHCDMN C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H]1CCCO1 ZINC000761229653 1127553308 /nfs/dbraw/zinc/55/33/08/1127553308.db2.gz RWIHNFJHSKQPNU-GOSISDBHSA-N 0 1 297.398 3.670 20 10 CHCDMN CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000295965858 1127658659 /nfs/dbraw/zinc/65/86/59/1127658659.db2.gz NIKXYLOWEJPUOC-QWRGUYRKSA-N 0 1 293.798 3.674 20 10 CHCDMN Oc1cccc2c1[C@@H](NCc1c(F)cccc1Cl)CC2 ZINC000297909187 1127711410 /nfs/dbraw/zinc/71/14/10/1127711410.db2.gz WNYJMUNZTMJJBH-AWEZNQCLSA-N 0 1 291.753 3.962 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])c1cn[nH]c1 ZINC000230669588 1127771145 /nfs/dbraw/zinc/77/11/45/1127771145.db2.gz DCYVUZTYZJFNJR-VXGBXAGGSA-N 0 1 281.359 3.680 20 10 CHCDMN C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000296577963 1129222818 /nfs/dbraw/zinc/22/28/18/1129222818.db2.gz UBTPESOIDBLCAL-KBPBESRZSA-N 0 1 287.403 3.605 20 10 CHCDMN Cc1cc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000915789552 1128339874 /nfs/dbraw/zinc/33/98/74/1128339874.db2.gz QQDCWDIWULHTBT-ZIAGYGMSSA-N 0 1 291.435 3.607 20 10 CHCDMN Oc1ccccc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000763411638 1128432998 /nfs/dbraw/zinc/43/29/98/1128432998.db2.gz SCIDCGKXZOOXEC-UHFFFAOYSA-N 0 1 259.393 3.937 20 10 CHCDMN [O-]c1ccccc1C[N@H+](CC1CC1)C1CCCCC1 ZINC000763411638 1128433000 /nfs/dbraw/zinc/43/30/00/1128433000.db2.gz SCIDCGKXZOOXEC-UHFFFAOYSA-N 0 1 259.393 3.937 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000763411638 1128433001 /nfs/dbraw/zinc/43/30/01/1128433001.db2.gz SCIDCGKXZOOXEC-UHFFFAOYSA-N 0 1 259.393 3.937 20 10 CHCDMN Oc1ccc2oc3c(c2c1C[N@@H+]1CC=CCC1)CCCC3 ZINC000778577862 1128561691 /nfs/dbraw/zinc/56/16/91/1128561691.db2.gz WNIRZMYAXGSURC-UHFFFAOYSA-N 0 1 283.371 3.779 20 10 CHCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC=CCC1)CCCC3 ZINC000778577862 1128561692 /nfs/dbraw/zinc/56/16/92/1128561692.db2.gz WNIRZMYAXGSURC-UHFFFAOYSA-N 0 1 283.371 3.779 20 10 CHCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC=CCC1)CCCC3 ZINC000778577862 1128561695 /nfs/dbraw/zinc/56/16/95/1128561695.db2.gz WNIRZMYAXGSURC-UHFFFAOYSA-N 0 1 283.371 3.779 20 10 CHCDMN Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000073007033 1117863143 /nfs/dbraw/zinc/86/31/43/1117863143.db2.gz RPEBVAQKNCNUIU-QMMMGPOBSA-N 0 1 280.755 3.501 20 10 CHCDMN C[C@@H]1CCCCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000211443467 1118047439 /nfs/dbraw/zinc/04/74/39/1118047439.db2.gz UBYWENFTWGWBIV-LLVKDONJSA-N 0 1 253.773 3.810 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cc(F)ccc2O)Cc2ccccc21 ZINC001140059153 1118079893 /nfs/dbraw/zinc/07/98/93/1118079893.db2.gz WCONXVKUPBTXBL-UHFFFAOYSA-N 0 1 285.362 3.825 20 10 CHCDMN CCC[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCCO1 ZINC000769339527 1118099716 /nfs/dbraw/zinc/09/97/16/1118099716.db2.gz RDBWBKXKZBPKIS-HNNXBMFYSA-N 0 1 297.826 3.827 20 10 CHCDMN CCC[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCCO1 ZINC000769339527 1118099721 /nfs/dbraw/zinc/09/97/21/1118099721.db2.gz RDBWBKXKZBPKIS-HNNXBMFYSA-N 0 1 297.826 3.827 20 10 CHCDMN CC(C)CC1([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000706127783 1118151626 /nfs/dbraw/zinc/15/16/26/1118151626.db2.gz KXCYYNBSGZGZAR-UHFFFAOYSA-N 0 1 298.224 3.823 20 10 CHCDMN CCc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)o1 ZINC000765610641 1118182367 /nfs/dbraw/zinc/18/23/67/1118182367.db2.gz WNGJWKQAXQTXSA-LBPRGKRZSA-N 0 1 271.360 3.628 20 10 CHCDMN CC(C)=CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000188444482 1128762153 /nfs/dbraw/zinc/76/21/53/1128762153.db2.gz OFVZNOQDTYFSLJ-SNVBAGLBSA-N 0 1 284.197 3.772 20 10 CHCDMN CN(C)c1ccc(CN[C@H]2CSc3ccccc32)cc1 ZINC000083748777 1118359623 /nfs/dbraw/zinc/35/96/23/1118359623.db2.gz SKOBPGMNTAZTCC-INIZCTEOSA-N 0 1 284.428 3.689 20 10 CHCDMN CC[C@H](C)C[N@H+](CC)Cc1c(C)cc(OC)cc1[O-] ZINC001663672568 1118521597 /nfs/dbraw/zinc/52/15/97/1118521597.db2.gz SYKMXEXBGFPZBV-LBPRGKRZSA-N 0 1 265.397 3.577 20 10 CHCDMN CC[C@H](C)C[N@@H+](CC)Cc1c(C)cc(OC)cc1[O-] ZINC001663672568 1118521601 /nfs/dbraw/zinc/52/16/01/1118521601.db2.gz SYKMXEXBGFPZBV-LBPRGKRZSA-N 0 1 265.397 3.577 20 10 CHCDMN CCOc1cccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1O ZINC000093102888 1118587939 /nfs/dbraw/zinc/58/79/39/1118587939.db2.gz SZCXIMFBQVAAOW-BETUJISGSA-N 0 1 263.381 3.554 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000834901877 1118621365 /nfs/dbraw/zinc/62/13/65/1118621365.db2.gz AGKXPCDEXUYZRW-JMPLFQLZSA-N 0 1 297.826 3.900 20 10 CHCDMN C[C@@H]1CC[C@@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707146233 1118648434 /nfs/dbraw/zinc/64/84/34/1118648434.db2.gz KLNFQHYYTWAKHP-GHMZBOCLSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707146233 1118648435 /nfs/dbraw/zinc/64/84/35/1118648435.db2.gz KLNFQHYYTWAKHP-GHMZBOCLSA-N 0 1 298.224 3.775 20 10 CHCDMN CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140464594 1118736404 /nfs/dbraw/zinc/73/64/04/1118736404.db2.gz WNUUJYMXRANEAS-CYBMUJFWSA-N 0 1 253.773 3.666 20 10 CHCDMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140464594 1118736407 /nfs/dbraw/zinc/73/64/07/1118736407.db2.gz WNUUJYMXRANEAS-CYBMUJFWSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140465217 1118739629 /nfs/dbraw/zinc/73/96/29/1118739629.db2.gz IOKNLQFAHVTCOC-GHMZBOCLSA-N 0 1 253.773 3.524 20 10 CHCDMN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466059 1118745765 /nfs/dbraw/zinc/74/57/65/1118745765.db2.gz VRGCEIYQVAELLU-GFCCVEGCSA-N 0 1 287.790 3.992 20 10 CHCDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466059 1118745770 /nfs/dbraw/zinc/74/57/70/1118745770.db2.gz VRGCEIYQVAELLU-GFCCVEGCSA-N 0 1 287.790 3.992 20 10 CHCDMN CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000161799440 1119385181 /nfs/dbraw/zinc/38/51/81/1119385181.db2.gz WXVXNTVIMPNZIM-MRXNPFEDSA-N 0 1 287.382 3.528 20 10 CHCDMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708424111 1119450640 /nfs/dbraw/zinc/45/06/40/1119450640.db2.gz WUASTDNOGNCRAC-NSHDSACASA-N 0 1 283.362 3.929 20 10 CHCDMN CC(C)OCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168882775 1119483270 /nfs/dbraw/zinc/48/32/70/1119483270.db2.gz RLLQKYFYCKYJQW-CYBMUJFWSA-N 0 1 273.376 3.621 20 10 CHCDMN Cc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000053036507 1119531843 /nfs/dbraw/zinc/53/18/43/1119531843.db2.gz WCDUHWANWYXLBQ-ZDUSSCGKSA-N 0 1 258.365 3.505 20 10 CHCDMN COc1ccc(CNCc2nccc3c2CCCC3)cc1C ZINC000921651034 1120053419 /nfs/dbraw/zinc/05/34/19/1120053419.db2.gz KKIDGMBCVRJEPP-UHFFFAOYSA-N 0 1 296.414 3.567 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922879948 1120617529 /nfs/dbraw/zinc/61/75/29/1120617529.db2.gz BEWPYVWBQUJYSS-CQSZACIVSA-N 0 1 288.778 3.608 20 10 CHCDMN C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc2ccccc2c1[O-] ZINC000756658553 1120673272 /nfs/dbraw/zinc/67/32/72/1120673272.db2.gz KUAISUZJNJVHGF-LBPRGKRZSA-N 0 1 296.345 3.930 20 10 CHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccccc1 ZINC000700351789 1121098815 /nfs/dbraw/zinc/09/88/15/1121098815.db2.gz IAKMUEGSKQRCEP-LBPRGKRZSA-N 0 1 291.778 3.603 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1C=CCC1)c1cc(Br)ccc1[O-] ZINC000700586050 1121107721 /nfs/dbraw/zinc/10/77/21/1121107721.db2.gz GJOPMPBYFYVUBR-WCQYABFASA-N 0 1 296.208 3.914 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2F)Cc2ccccc21 ZINC001137831935 1121180368 /nfs/dbraw/zinc/18/03/68/1121180368.db2.gz TXOFFGPJYUIGKA-GFCCVEGCSA-N 0 1 271.335 3.651 20 10 CHCDMN C[C@H](F)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000702625086 1121205719 /nfs/dbraw/zinc/20/57/19/1121205719.db2.gz XCGMDEOENOIJOI-RYUDHWBXSA-N 0 1 261.340 3.944 20 10 CHCDMN CC(C)O[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000766088346 1121207066 /nfs/dbraw/zinc/20/70/66/1121207066.db2.gz HUXADWRRIIUVRI-GJZGRUSLSA-N 0 1 297.826 3.727 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000706475358 1121431083 /nfs/dbraw/zinc/43/10/83/1121431083.db2.gz HHDJBBQZQLSHFI-AOOOYVTPSA-N 0 1 281.783 3.621 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000706475358 1121431087 /nfs/dbraw/zinc/43/10/87/1121431087.db2.gz HHDJBBQZQLSHFI-AOOOYVTPSA-N 0 1 281.783 3.621 20 10 CHCDMN C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000708600470 1121468569 /nfs/dbraw/zinc/46/85/69/1121468569.db2.gz KUJYIURAKLBBQX-LBPRGKRZSA-N 0 1 293.716 3.820 20 10 CHCDMN Cc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)c(C)c1 ZINC000733325729 1121976901 /nfs/dbraw/zinc/97/69/01/1121976901.db2.gz RCLCQRYFZJLEMZ-UHFFFAOYSA-N 0 1 289.806 3.995 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC001180438279 1121986747 /nfs/dbraw/zinc/98/67/47/1121986747.db2.gz XGUHBEVUSHAGPB-NSHDSACASA-N 0 1 253.773 3.728 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC001180438279 1121986750 /nfs/dbraw/zinc/98/67/50/1121986750.db2.gz XGUHBEVUSHAGPB-NSHDSACASA-N 0 1 253.773 3.728 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)CC2)c1[O-] ZINC000110806793 1122003115 /nfs/dbraw/zinc/00/31/15/1122003115.db2.gz YLOBDYLFXFVYRK-LLVKDONJSA-N 0 1 295.810 3.870 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001181860866 1122087461 /nfs/dbraw/zinc/08/74/61/1122087461.db2.gz OZVPETLKYDXMCH-BETUJISGSA-N 0 1 279.811 3.976 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001181860866 1122087469 /nfs/dbraw/zinc/08/74/69/1122087469.db2.gz OZVPETLKYDXMCH-BETUJISGSA-N 0 1 279.811 3.976 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001181860866 1122087476 /nfs/dbraw/zinc/08/74/76/1122087476.db2.gz OZVPETLKYDXMCH-BETUJISGSA-N 0 1 279.811 3.976 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c(Cl)c1 ZINC001182453727 1122161561 /nfs/dbraw/zinc/16/15/61/1122161561.db2.gz VREIVDASYNLTSK-QJPTWQEYSA-N 0 1 267.800 3.830 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c(Cl)c1 ZINC001182453727 1122161563 /nfs/dbraw/zinc/16/15/63/1122161563.db2.gz VREIVDASYNLTSK-QJPTWQEYSA-N 0 1 267.800 3.830 20 10 CHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000387003251 1122199773 /nfs/dbraw/zinc/19/97/73/1122199773.db2.gz MJJJKFQWCCBGOB-ZDUSSCGKSA-N 0 1 296.208 3.577 20 10 CHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000387003248 1122199822 /nfs/dbraw/zinc/19/98/22/1122199822.db2.gz MJJJKFQWCCBGOB-CYBMUJFWSA-N 0 1 296.208 3.577 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CF)C2)c(Cl)c1 ZINC001183521187 1122225760 /nfs/dbraw/zinc/22/57/60/1122225760.db2.gz VYQBLYKVADYGCZ-LLVKDONJSA-N 0 1 271.763 3.536 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CF)C2)c(Cl)c1 ZINC001183521187 1122225761 /nfs/dbraw/zinc/22/57/61/1122225761.db2.gz VYQBLYKVADYGCZ-LLVKDONJSA-N 0 1 271.763 3.536 20 10 CHCDMN C[C@H]([NH2+]CC1(C)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000273349427 1122229384 /nfs/dbraw/zinc/22/93/84/1122229384.db2.gz BIVAZKIILASBRS-NSHDSACASA-N 0 1 283.799 3.513 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])CCC1(F)F ZINC001203650917 1122414952 /nfs/dbraw/zinc/41/49/52/1122414952.db2.gz GGXNRNZVOLMGER-SNVBAGLBSA-N 0 1 289.753 3.913 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])CCC1(F)F ZINC001203650917 1122414953 /nfs/dbraw/zinc/41/49/53/1122414953.db2.gz GGXNRNZVOLMGER-SNVBAGLBSA-N 0 1 289.753 3.913 20 10 CHCDMN CCN(CC)c1ccc(CN(C)Cc2cccnc2)cc1 ZINC000193144381 1129056405 /nfs/dbraw/zinc/05/64/05/1129056405.db2.gz XJYJFHOVRXSPCI-UHFFFAOYSA-N 0 1 283.419 3.560 20 10 CHCDMN CCC[C@]1(COC)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775205161 1122481354 /nfs/dbraw/zinc/48/13/54/1122481354.db2.gz QBZYFNWCLFPWTK-MRXNPFEDSA-N 0 1 297.826 3.827 20 10 CHCDMN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000775373663 1122532335 /nfs/dbraw/zinc/53/23/35/1122532335.db2.gz ZLGATGURBMWEGK-HOCLYGCPSA-N 0 1 297.826 3.729 20 10 CHCDMN CC[C@H]([NH2+]Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775483074 1122615094 /nfs/dbraw/zinc/61/50/94/1122615094.db2.gz JQUYAYIEONBTCK-ZDUSSCGKSA-N 0 1 265.740 3.880 20 10 CHCDMN CCOCCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775482847 1122615841 /nfs/dbraw/zinc/61/58/41/1122615841.db2.gz DFLZJAHVPOFXNN-ZDUSSCGKSA-N 0 1 271.788 3.513 20 10 CHCDMN CC[C@H]([NH2+]CCCOC(C)C)c1cc(Cl)ccc1[O-] ZINC000775483403 1122616420 /nfs/dbraw/zinc/61/64/20/1122616420.db2.gz TYGYSHUIXMQJJI-AWEZNQCLSA-N 0 1 285.815 3.901 20 10 CHCDMN CC[C@@H]([NH2+]CCCOC(C)C)c1cc(Cl)ccc1[O-] ZINC000775483404 1122616679 /nfs/dbraw/zinc/61/66/79/1122616679.db2.gz TYGYSHUIXMQJJI-CQSZACIVSA-N 0 1 285.815 3.901 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775510010 1122632785 /nfs/dbraw/zinc/63/27/85/1122632785.db2.gz WZMBVZLHOFAZJI-MJVIPROJSA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775514444 1122635888 /nfs/dbraw/zinc/63/58/88/1122635888.db2.gz VYIXVVXBXNGFON-HUBLWGQQSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+]CC1(CCO)CCC1)c1cc(Cl)ccc1[O-] ZINC000775521931 1122638746 /nfs/dbraw/zinc/63/87/46/1122638746.db2.gz FIRYYBFCPUDDAB-CQSZACIVSA-N 0 1 297.826 3.639 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000775527347 1122644823 /nfs/dbraw/zinc/64/48/23/1122644823.db2.gz QZLQYHFIEGCUBD-CMPLNLGQSA-N 0 1 271.813 3.592 20 10 CHCDMN CC[C@H]([NH2+]CCOC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775533226 1122649382 /nfs/dbraw/zinc/64/93/82/1122649382.db2.gz FVYOGZOWANWWMG-ZDUSSCGKSA-N 0 1 285.815 3.901 20 10 CHCDMN CC[C@@H]([NH2+]CCOC(C)C)c1cc(Cl)ccc1[O-] ZINC000775552928 1122661927 /nfs/dbraw/zinc/66/19/27/1122661927.db2.gz ZIFQVZYLPBDKIM-CYBMUJFWSA-N 0 1 271.788 3.511 20 10 CHCDMN C[N@@H+](Cc1ccsc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644533 1122855516 /nfs/dbraw/zinc/85/55/16/1122855516.db2.gz NJYLQRSFPORCEF-UHFFFAOYSA-N 0 1 285.771 3.878 20 10 CHCDMN CC(C)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775653471 1122868625 /nfs/dbraw/zinc/86/86/25/1122868625.db2.gz HPFXWKIVZGMRRZ-UHFFFAOYSA-N 0 1 257.736 3.558 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000775669060 1122882752 /nfs/dbraw/zinc/88/27/52/1122882752.db2.gz DECAAQSVZKRFQA-AWEZNQCLSA-N 0 1 265.784 3.810 20 10 CHCDMN Cc1cccc(CN(C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000775716313 1122922180 /nfs/dbraw/zinc/92/21/80/1122922180.db2.gz TXQCHFDOJBDHNG-UHFFFAOYSA-N 0 1 290.794 3.689 20 10 CHCDMN C[C@@H](NCc1cc(O)ccc1Cl)c1ccccc1O ZINC001197005010 1122942469 /nfs/dbraw/zinc/94/24/69/1122942469.db2.gz WWRSNZGFIMKLPD-SNVBAGLBSA-N 0 1 277.751 3.602 20 10 CHCDMN CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000760041782 1123181035 /nfs/dbraw/zinc/18/10/35/1123181035.db2.gz ZZDFRSPKGLPCFM-LLVKDONJSA-N 0 1 275.726 3.884 20 10 CHCDMN C[C@@H](NCc1cscn1)c1ccc2ccccc2c1O ZINC000108941651 1123233992 /nfs/dbraw/zinc/23/39/92/1123233992.db2.gz JFPLWWUJAOKDIU-LLVKDONJSA-N 0 1 284.384 3.853 20 10 CHCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000850482342 1123273665 /nfs/dbraw/zinc/27/36/65/1123273665.db2.gz OSTMTGOYHZUXGY-NEPJUHHUSA-N 0 1 290.794 3.895 20 10 CHCDMN C[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cscn1 ZINC000850511484 1123278310 /nfs/dbraw/zinc/27/83/10/1123278310.db2.gz GELYEKZPUOCOAT-KKZNHRDASA-N 0 1 292.379 3.887 20 10 CHCDMN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000850515575 1123278693 /nfs/dbraw/zinc/27/86/93/1123278693.db2.gz YYHHPDNHMSKDQC-BPLDGKMQSA-N 0 1 285.387 3.764 20 10 CHCDMN CCO[C@H]1C[C@H]([NH2+][C@H](CC)c2cc(Cl)ccc2[O-])C1 ZINC000850515531 1123278882 /nfs/dbraw/zinc/27/88/82/1123278882.db2.gz YBLKXNMEQURLDY-YRGRVCCFSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc2ccccc2c1[O-] ZINC000850525079 1123281174 /nfs/dbraw/zinc/28/11/74/1123281174.db2.gz KYGCOUWPAYIGCM-DZGCQCFKSA-N 0 1 297.398 3.908 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(Cl)ccc1[O-] ZINC000850535313 1123286972 /nfs/dbraw/zinc/28/69/72/1123286972.db2.gz UWDPDLVNEVRBLC-WZRBSPASSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@H](c1cc(F)ccc1F)N(C)Cc1ccccc1O ZINC000111236017 1123432426 /nfs/dbraw/zinc/43/24/26/1123432426.db2.gz VAVIKVXSYZLKAC-LLVKDONJSA-N 0 1 277.314 3.863 20 10 CHCDMN CC1=C[C@@H](C)C[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000797605476 1123459975 /nfs/dbraw/zinc/45/99/75/1123459975.db2.gz ROTFLKTXLGVVSG-SNVBAGLBSA-N 0 1 296.208 3.553 20 10 CHCDMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccccc1O ZINC000783532659 1123553715 /nfs/dbraw/zinc/55/37/15/1123553715.db2.gz RIWDZUXJAVQOOA-LBPRGKRZSA-N 0 1 288.366 3.766 20 10 CHCDMN CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000776951624 1123612565 /nfs/dbraw/zinc/61/25/65/1123612565.db2.gz XRQKULFJMKHMPA-HUUCEWRRSA-N 0 1 297.826 3.729 20 10 CHCDMN CS[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000117393897 1123728657 /nfs/dbraw/zinc/72/86/57/1123728657.db2.gz SJEOAYYTUSVBKT-QWRGUYRKSA-N 0 1 285.840 3.809 20 10 CHCDMN Oc1cccc(Br)c1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000862406523 1123807252 /nfs/dbraw/zinc/80/72/52/1123807252.db2.gz PIGRJBKXARUKSC-GWCFXTLKSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000862406523 1123807254 /nfs/dbraw/zinc/80/72/54/1123807254.db2.gz PIGRJBKXARUKSC-GWCFXTLKSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000862406523 1123807259 /nfs/dbraw/zinc/80/72/59/1123807259.db2.gz PIGRJBKXARUKSC-GWCFXTLKSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1c(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)ccc2ccccc21 ZINC000862439107 1123810338 /nfs/dbraw/zinc/81/03/38/1123810338.db2.gz HZWNLSXJHVGUSP-CWRNSKLLSA-N 0 1 267.372 3.824 20 10 CHCDMN COC1CCC([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000840793400 1123811102 /nfs/dbraw/zinc/81/11/02/1123811102.db2.gz ZOOQBBCIBGBOCJ-BBCYWQGDSA-N 0 1 293.382 3.627 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccns2)cc1Cl ZINC000862539192 1123818559 /nfs/dbraw/zinc/81/85/59/1123818559.db2.gz JBSBBIKWVKDQLT-SECBINFHSA-N 0 1 282.796 3.661 20 10 CHCDMN CC1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC1 ZINC000083552519 1129151025 /nfs/dbraw/zinc/15/10/25/1129151025.db2.gz JXZVNHSRRWPZGS-UHFFFAOYSA-N 0 1 253.773 3.716 20 10 CHCDMN Cc1cc([C@H](C)NCc2ccc(N(C)C)cc2)oc1C ZINC000282005959 1124008888 /nfs/dbraw/zinc/00/88/88/1124008888.db2.gz DGEFPBHDAQJRTA-ZDUSSCGKSA-N 0 1 272.392 3.813 20 10 CHCDMN COc1cccc(O)c1CNCc1ccc(C(C)(C)C)o1 ZINC000865813976 1124016109 /nfs/dbraw/zinc/01/61/09/1124016109.db2.gz DDGBPGXTTQSHQC-UHFFFAOYSA-N 0 1 289.375 3.581 20 10 CHCDMN C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CS1 ZINC000840958944 1124041627 /nfs/dbraw/zinc/04/16/27/1124041627.db2.gz POTYWRHVJNRHKI-FZMZJTMJSA-N 0 1 273.401 3.529 20 10 CHCDMN C[C@H]([NH2+]CC(C)(C)F)c1ccc2ccccc2c1[O-] ZINC000866408153 1124063556 /nfs/dbraw/zinc/06/35/56/1124063556.db2.gz HACXBEAUGVYMSO-NSHDSACASA-N 0 1 261.340 3.944 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000866498876 1124073596 /nfs/dbraw/zinc/07/35/96/1124073596.db2.gz BXQFZEIBLLRVJQ-BDODKLCJSA-N 0 1 279.689 3.647 20 10 CHCDMN CC[C@H](NCc1ccn(C2CCCC2)n1)c1ccccc1O ZINC000121102538 1124077479 /nfs/dbraw/zinc/07/74/79/1124077479.db2.gz QKOOMTJWGAKXIS-KRWDZBQOSA-N 0 1 299.418 3.945 20 10 CHCDMN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000866635052 1124093196 /nfs/dbraw/zinc/09/31/96/1124093196.db2.gz MHYZCLYWMPPIED-VNHYZAJKSA-N 0 1 287.403 3.746 20 10 CHCDMN Cc1cc(C)c([C@H](C)NCc2ncc(Cl)s2)c(O)c1 ZINC000872113731 1124687474 /nfs/dbraw/zinc/68/74/74/1124687474.db2.gz RXOXXSJKKOTEGV-JTQLQIEISA-N 0 1 296.823 3.970 20 10 CHCDMN CCCOc1ccc(CNCc2ccc(F)cn2)cc1C ZINC000873080674 1124736363 /nfs/dbraw/zinc/73/63/63/1124736363.db2.gz RKCUJZGIHQQAFV-UHFFFAOYSA-N 0 1 288.366 3.608 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124550921 1124772728 /nfs/dbraw/zinc/77/27/28/1124772728.db2.gz DZKPSQWWUGJFSX-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN CCC(CC)[N@@H+](CCOC)Cc1cccc(Cl)c1[O-] ZINC000124544525 1124773736 /nfs/dbraw/zinc/77/37/36/1124773736.db2.gz IIQBZXONSOFNSM-UHFFFAOYSA-N 0 1 285.815 3.683 20 10 CHCDMN Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c(O)c1 ZINC000876738801 1124973199 /nfs/dbraw/zinc/97/31/99/1124973199.db2.gz AZSAGSZCDPWEAS-QGZVFWFLSA-N 0 1 282.387 3.741 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)Cc2ccc(O)cc2)cc1Cl ZINC000825927892 1124995001 /nfs/dbraw/zinc/99/50/01/1124995001.db2.gz JJWHCZPRZGRREG-UHFFFAOYSA-N 0 1 291.778 3.692 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)Cc2ccc(O)cc2)cc1Cl ZINC000825927892 1124995004 /nfs/dbraw/zinc/99/50/04/1124995004.db2.gz JJWHCZPRZGRREG-UHFFFAOYSA-N 0 1 291.778 3.692 20 10 CHCDMN CC[C@](C)(NCc1ccc(C)cc1O)c1nccs1 ZINC000877048958 1125004239 /nfs/dbraw/zinc/00/42/39/1125004239.db2.gz QOZQTWKPGMKGSO-HNNXBMFYSA-N 0 1 276.405 3.572 20 10 CHCDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877530015 1125041408 /nfs/dbraw/zinc/04/14/08/1125041408.db2.gz BQPBPIZGRYPWEA-CQSZACIVSA-N 0 1 292.329 3.649 20 10 CHCDMN CC(=O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000878325835 1125142120 /nfs/dbraw/zinc/14/21/20/1125142120.db2.gz MHFDOGSVRDREFA-OAHLLOKOSA-N 0 1 283.371 3.544 20 10 CHCDMN CC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000878325835 1125142124 /nfs/dbraw/zinc/14/21/24/1125142124.db2.gz MHFDOGSVRDREFA-OAHLLOKOSA-N 0 1 283.371 3.544 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC2(F)F)cc1Cl ZINC000826061867 1125167294 /nfs/dbraw/zinc/16/72/94/1125167294.db2.gz FAQJAVXXQNCMMZ-LLVKDONJSA-N 0 1 289.753 3.879 20 10 CHCDMN CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000826120894 1125225322 /nfs/dbraw/zinc/22/53/22/1125225322.db2.gz LAHXFNZIENBLQA-BZNIZROVSA-N 0 1 297.826 3.647 20 10 CHCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)CC(F)F ZINC000883252164 1125385331 /nfs/dbraw/zinc/38/53/31/1125385331.db2.gz VBFBCBGQLNRFPE-UHFFFAOYSA-N 0 1 277.742 3.817 20 10 CHCDMN Cc1cc(O)c(CNCc2cc(O)ccc2Cl)cc1C ZINC000883324916 1125396894 /nfs/dbraw/zinc/39/68/94/1125396894.db2.gz ITLZGBORSKAGRO-UHFFFAOYSA-N 0 1 291.778 3.658 20 10 CHCDMN Cc1ccc(O)c([C@@H](C)NCc2cc(O)ccc2Cl)c1 ZINC000883326192 1125397105 /nfs/dbraw/zinc/39/71/05/1125397105.db2.gz VDLBGXXUYWGEPV-LLVKDONJSA-N 0 1 291.778 3.910 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(Cl)cc1[O-] ZINC000883357466 1125401198 /nfs/dbraw/zinc/40/11/98/1125401198.db2.gz LYMJEQPSAJQNRW-AAEUAGOBSA-N 0 1 295.810 3.798 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001237808720 1129197553 /nfs/dbraw/zinc/19/75/53/1129197553.db2.gz VZGSXEWKTOLTSV-SNVBAGLBSA-N 0 1 275.726 3.509 20 10 CHCDMN C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000296604035 1129223338 /nfs/dbraw/zinc/22/33/38/1129223338.db2.gz VVSZALOXXDCXEV-KBPBESRZSA-N 0 1 287.403 3.747 20 10 CHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC2(CCC2)C1 ZINC001237949427 1129227107 /nfs/dbraw/zinc/22/71/07/1129227107.db2.gz LRCINGYKEVOIIK-UHFFFAOYSA-N 0 1 269.747 3.561 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000735508587 1129348678 /nfs/dbraw/zinc/34/86/78/1129348678.db2.gz GQGZCVNKZZSCDU-CYBMUJFWSA-N 0 1 291.803 3.982 20 10 CHCDMN CC[N@H+](CCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000092753755 1129405934 /nfs/dbraw/zinc/40/59/34/1129405934.db2.gz RRINFGBIROHCGE-UHFFFAOYSA-N 0 1 281.705 3.820 20 10 CHCDMN CC[N@@H+](CCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000092753755 1129405936 /nfs/dbraw/zinc/40/59/36/1129405936.db2.gz RRINFGBIROHCGE-UHFFFAOYSA-N 0 1 281.705 3.820 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000248487976 1129419345 /nfs/dbraw/zinc/41/93/45/1129419345.db2.gz GLQRBBFBPZODTN-OFQRWUPVSA-N 0 1 299.414 3.747 20 10 CHCDMN Cc1csc([C@@H](C)N[C@@H](C)c2cc(F)ccc2O)n1 ZINC000094618313 1129448176 /nfs/dbraw/zinc/44/81/76/1129448176.db2.gz DIBZUVJEYXYVOX-VHSXEESVSA-N 0 1 280.368 3.708 20 10 CHCDMN Cc1csc([C@H](C)N[C@H](C)c2cc(F)ccc2O)n1 ZINC000094618316 1129448259 /nfs/dbraw/zinc/44/82/59/1129448259.db2.gz DIBZUVJEYXYVOX-ZJUUUORDSA-N 0 1 280.368 3.708 20 10 CHCDMN CC[C@@H](NCc1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000766607013 1129703584 /nfs/dbraw/zinc/70/35/84/1129703584.db2.gz FVPWNFYLNYLYGK-QGZVFWFLSA-N 0 1 287.382 3.528 20 10 CHCDMN Oc1cc2c(cc1CN1CCc3cccc(F)c3C1)CCC2 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C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(F)c(F)c1[O-] ZINC001205216249 1133547185 /nfs/dbraw/zinc/54/71/85/1133547185.db2.gz RHNXNJKHQOKEMU-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001205554646 1133586871 /nfs/dbraw/zinc/58/68/71/1133586871.db2.gz IYMWNOWGHWFQPW-UHFFFAOYSA-N 0 1 295.304 3.750 20 10 CHCDMN C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001206517426 1133712895 /nfs/dbraw/zinc/71/28/95/1133712895.db2.gz SYJPATMLBHDLKH-JTNHKYCSSA-N 0 1 267.800 3.960 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cc1Cl ZINC001206762798 1133745023 /nfs/dbraw/zinc/74/50/23/1133745023.db2.gz PWJBYROYURDSFG-FRRDWIJNSA-N 0 1 279.811 3.880 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCC23CC3)cc1Cl ZINC001207067655 1133764096 /nfs/dbraw/zinc/76/40/96/1133764096.db2.gz UAOVFKNNNLLNNH-AWEZNQCLSA-N 0 1 265.784 3.776 20 10 CHCDMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cccc(Br)c1[O-] ZINC000136819062 1134414639 /nfs/dbraw/zinc/41/46/39/1134414639.db2.gz UTPMLUXQIYZMQH-PWSUYJOCSA-N 0 1 298.224 3.918 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCc2ccccc21 ZINC000404789710 1134949753 /nfs/dbraw/zinc/94/97/53/1134949753.db2.gz NOXKOGMAILICOW-ZDUSSCGKSA-N 0 1 285.362 3.693 20 10 CHCDMN O=C1C=CC(=N[N-]c2cccc[nH+]2)C(O[C@@H]2CCCOC2)=C1 ZINC001227489731 1135840230 /nfs/dbraw/zinc/84/02/30/1135840230.db2.gz PKABNAYETGHOPJ-NIVDNSEKSA-N 0 1 299.330 3.760 20 10 CHCDMN CC(=O)[C@@H](C)OC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227488879 1135840345 /nfs/dbraw/zinc/84/03/45/1135840345.db2.gz JFKKKLBDQYTPQS-IEBXDZTQSA-N 0 1 285.303 3.559 20 10 CHCDMN CC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCC1 ZINC000104438723 186002293 /nfs/dbraw/zinc/00/22/93/186002293.db2.gz BOLXCSASKCBZGK-UHFFFAOYSA-N 0 1 253.773 3.716 20 10 CHCDMN C[C@@H]([NH2+]C1CCSCC1)c1cc(Cl)ccc1[O-] ZINC000185978675 262074209 /nfs/dbraw/zinc/07/42/09/262074209.db2.gz UGOZPMXDKOCFHP-SECBINFHSA-N 0 1 271.813 3.592 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc2ccccc2c1[O-] ZINC000035733327 172385019 /nfs/dbraw/zinc/38/50/19/172385019.db2.gz KISHOLLKQCIINH-NWDGAFQWSA-N 0 1 255.361 3.995 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc2ccccc2c1[O-] ZINC000038044032 174051700 /nfs/dbraw/zinc/05/17/00/174051700.db2.gz DCWDXJCFMJODSX-UONOGXRCSA-N 0 1 285.387 3.623 20 10 CHCDMN CC[C@H](COC)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000079737414 260176927 /nfs/dbraw/zinc/17/69/27/260176927.db2.gz AXJILDIAQNQPLA-TZMCWYRMSA-N 0 1 273.376 3.621 20 10 CHCDMN C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cc(Cl)ccc1[O-] ZINC000185534290 262058608 /nfs/dbraw/zinc/05/86/08/262058608.db2.gz KQRHFUGRCSJOEH-GQANPOSXSA-N 0 1 295.810 3.510 20 10 CHCDMN COC[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000186153764 262312291 /nfs/dbraw/zinc/31/22/91/262312291.db2.gz QCDYXXGRXGGINU-YVEFUNNKSA-N 0 1 285.387 3.621 20 10 CHCDMN C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000377408001 329014372 /nfs/dbraw/zinc/01/43/72/329014372.db2.gz OHDFMOXIBNRVPJ-MGPLVRAMSA-N 0 1 289.762 3.657 20 10 CHCDMN CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000527923638 330296013 /nfs/dbraw/zinc/29/60/13/330296013.db2.gz DDBFKPMACOTNFV-SWLSCSKDSA-N 0 1 297.826 3.903 20 10 CHCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ncccc2F)c(O)c1 ZINC000528035792 330302618 /nfs/dbraw/zinc/30/26/18/330302618.db2.gz KHKGKSWENPOSDI-NEPJUHHUSA-N 0 1 274.339 3.647 20 10 CHCDMN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000528008397 330303533 /nfs/dbraw/zinc/30/35/33/330303533.db2.gz TZKCDTUBMHBFTC-YQEZVOHVSA-N 0 1 283.799 3.508 20 10 CHCDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000194620009 330945974 /nfs/dbraw/zinc/94/59/74/330945974.db2.gz RZRLMNAQGCHTKN-CYBMUJFWSA-N 0 1 299.374 3.512 20 10 CHCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000268724439 334715083 /nfs/dbraw/zinc/71/50/83/334715083.db2.gz KCYKEZFEQVTELT-CYBMUJFWSA-N 0 1 299.374 3.512 20 10 CHCDMN COCCCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000044655479 523177532 /nfs/dbraw/zinc/17/75/32/523177532.db2.gz ZKRHYCUDAIEEMR-CYBMUJFWSA-N 0 1 273.376 3.623 20 10 CHCDMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc(N(C)C)cc2)o1 ZINC000020146021 524969311 /nfs/dbraw/zinc/96/93/11/524969311.db2.gz ZEONXEUHLVAUEL-SUMWQHHRSA-N 0 1 284.403 3.759 20 10 CHCDMN C[C@@]12CC[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]1C2(F)F ZINC000292751287 525911687 /nfs/dbraw/zinc/91/16/87/525911687.db2.gz IMMCFQGMWZPWAS-QWHCGFSZSA-N 0 1 287.737 3.523 20 10 CHCDMN C[C@@]12CC[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]1C2(F)F ZINC000292751287 525911696 /nfs/dbraw/zinc/91/16/96/525911696.db2.gz IMMCFQGMWZPWAS-QWHCGFSZSA-N 0 1 287.737 3.523 20 10 CHCDMN CCOC[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000113923137 1125496613 /nfs/dbraw/zinc/49/66/13/1125496613.db2.gz BMZKDLRIRCWBKD-OAHLLOKOSA-N 0 1 299.414 3.794 20 10 CHCDMN CCOC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000113923137 1125496614 /nfs/dbraw/zinc/49/66/14/1125496614.db2.gz BMZKDLRIRCWBKD-OAHLLOKOSA-N 0 1 299.414 3.794 20 10 CHCDMN CCOC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000113923137 1125496616 /nfs/dbraw/zinc/49/66/16/1125496616.db2.gz BMZKDLRIRCWBKD-OAHLLOKOSA-N 0 1 299.414 3.794 20 10 CHCDMN C[N@@H+](Cc1cc(F)ccc1O)C1CCCCCC1 ZINC000226562006 1121157552 /nfs/dbraw/zinc/15/75/52/1121157552.db2.gz IRFCNNIVBIBTAM-UHFFFAOYSA-N 0 1 251.345 3.686 20 10 CHCDMN Cc1ccoc1C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000814174757 1121849333 /nfs/dbraw/zinc/84/93/33/1121849333.db2.gz JHWMCVWJFJMKMM-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN Cc1ccoc1C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000814174757 1121849339 /nfs/dbraw/zinc/84/93/39/1121849339.db2.gz JHWMCVWJFJMKMM-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN CC[N@H+](Cc1ccoc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001179869519 1121921514 /nfs/dbraw/zinc/92/15/14/1121921514.db2.gz XLYSSKHUTJHJOO-UHFFFAOYSA-N 0 1 279.767 3.969 20 10 CHCDMN CC[N@@H+](Cc1ccoc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001179869519 1121921519 /nfs/dbraw/zinc/92/15/19/1121921519.db2.gz XLYSSKHUTJHJOO-UHFFFAOYSA-N 0 1 279.767 3.969 20 10 CHCDMN CC[C@@H]([NH2+]CCCOCC1CC1)c1cc(Cl)ccc1[O-] ZINC000775484566 1122616210 /nfs/dbraw/zinc/61/62/10/1122616210.db2.gz DYYOLJVCCDIVDB-OAHLLOKOSA-N 0 1 297.826 3.903 20 10 CHCDMN CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775527721 1122644813 /nfs/dbraw/zinc/64/48/13/1122644813.db2.gz SQLCFLJYCFDGOR-SMDDNHRTSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000775701575 1122914854 /nfs/dbraw/zinc/91/48/54/1122914854.db2.gz HBFWCQPIWJUGTJ-LLVKDONJSA-N 0 1 289.803 3.512 20 10 CHCDMN CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000840859957 1123861416 /nfs/dbraw/zinc/86/14/16/1123861416.db2.gz QRCUEBATYREZPY-GDLVEWKHSA-N 0 1 297.826 3.900 20 10 CHCDMN CCc1nc([C@@H](C)NCc2ccc(C)cc2O)cs1 ZINC000877045900 1125001732 /nfs/dbraw/zinc/00/17/32/1125001732.db2.gz FULFMBMJFYKQBS-LLVKDONJSA-N 0 1 276.405 3.570 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001140462944 1131748424 /nfs/dbraw/zinc/74/84/24/1131748424.db2.gz OXRDFZCCESJURO-UHFFFAOYSA-N 0 1 283.774 3.760 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000120213777 1125542449 /nfs/dbraw/zinc/54/24/49/1125542449.db2.gz HOGYPBKJNSSVOD-CMPLNLGQSA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1occc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746850 1125575895 /nfs/dbraw/zinc/57/58/95/1125575895.db2.gz LPQZIZRIBXPOKF-SECBINFHSA-N 0 1 265.740 3.798 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2ncc(Cl)s2)c(O)c1 ZINC000719393610 1129332088 /nfs/dbraw/zinc/33/20/88/1129332088.db2.gz FDQJMORQTHICCN-SECBINFHSA-N 0 1 282.796 3.661 20 10 CHCDMN CCc1cccc(CN[C@H](CC)c2nccs2)c1O ZINC000691449342 1130711362 /nfs/dbraw/zinc/71/13/62/1130711362.db2.gz FBLSVMRBRBQMGS-CYBMUJFWSA-N 0 1 276.405 3.652 20 10 CHCDMN COCCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCCC1 ZINC000185748147 1126902498 /nfs/dbraw/zinc/90/24/98/1126902498.db2.gz LDZVCPMLKPFWRX-ZDUSSCGKSA-N 0 1 295.398 3.779 20 10 CHCDMN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000191655578 1126953370 /nfs/dbraw/zinc/95/33/70/1126953370.db2.gz RZZCKOGAOBSDNJ-YNEHKIRRSA-N 0 1 273.376 3.619 20 10 CHCDMN CC[C@@H]([NH2+]CC(C)(C)COC)c1cc(Cl)ccc1[O-] ZINC000813883032 1130794978 /nfs/dbraw/zinc/79/49/78/1130794978.db2.gz PIOGNXZLSNXWIL-CYBMUJFWSA-N 0 1 285.815 3.759 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCC2(CC2)CC1 ZINC000695695758 1130799126 /nfs/dbraw/zinc/79/91/26/1130799126.db2.gz CIPNXRMQSJBVIT-UHFFFAOYSA-N 0 1 265.784 3.858 20 10 CHCDMN Cc1ccc(O)c([C@H](C)N[C@H](C)c2cscn2)c1 ZINC000697819211 1130864023 /nfs/dbraw/zinc/86/40/23/1130864023.db2.gz JQASNEUQQSTBMZ-WDEREUQCSA-N 0 1 262.378 3.569 20 10 CHCDMN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2cscn2)c1 ZINC000697819209 1130864048 /nfs/dbraw/zinc/86/40/48/1130864048.db2.gz JQASNEUQQSTBMZ-MNOVXSKESA-N 0 1 262.378 3.569 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271436412 1127082023 /nfs/dbraw/zinc/08/20/23/1127082023.db2.gz BQFCUQXAGVXDIE-DYVFJYSZSA-N 0 1 298.434 3.594 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)o1 ZINC000271528423 1127088504 /nfs/dbraw/zinc/08/85/04/1127088504.db2.gz RMBYHLQHLBHWRV-CQSZACIVSA-N 0 1 272.392 3.813 20 10 CHCDMN C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078524 1131048189 /nfs/dbraw/zinc/04/81/89/1131048189.db2.gz UGTSRYSNWMMFJH-MRVPVSSYSA-N 0 1 260.164 3.683 20 10 CHCDMN CN1CCCc2cc(CNCc3ccc(Cl)o3)ccc21 ZINC000058477204 1127351180 /nfs/dbraw/zinc/35/11/80/1127351180.db2.gz JDSVGJUKFPDPLG-UHFFFAOYSA-N 0 1 290.794 3.605 20 10 CHCDMN C[C@@H](NCc1cc(F)ccc1O)c1c(F)cccc1F ZINC000226585467 1127412214 /nfs/dbraw/zinc/41/22/14/1127412214.db2.gz CEPVZJUFSAEHQS-SECBINFHSA-N 0 1 281.277 3.660 20 10 CHCDMN C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293558097 1127505455 /nfs/dbraw/zinc/50/54/55/1127505455.db2.gz HTCAVWIIGRCXOP-SNVBAGLBSA-N 0 1 294.757 3.773 20 10 CHCDMN CCCc1nc(C)c(CN[C@@H](C)c2cc(F)ccc2O)o1 ZINC000293685836 1127512836 /nfs/dbraw/zinc/51/28/36/1127512836.db2.gz NKXBKYCKESGEGT-JTQLQIEISA-N 0 1 292.354 3.631 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CC=CCC2)c1O ZINC000761217411 1127536687 /nfs/dbraw/zinc/53/66/87/1127536687.db2.gz UZSPJCGJQCGIKY-LBPRGKRZSA-N 0 1 295.810 3.842 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CC=CCC2)c1[O-] ZINC000761217411 1127536690 /nfs/dbraw/zinc/53/66/90/1127536690.db2.gz UZSPJCGJQCGIKY-LBPRGKRZSA-N 0 1 295.810 3.842 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CC=CCC2)c1[O-] ZINC000761217411 1127536693 /nfs/dbraw/zinc/53/66/93/1127536693.db2.gz UZSPJCGJQCGIKY-LBPRGKRZSA-N 0 1 295.810 3.842 20 10 CHCDMN COc1cc([O-])c(C[N@H+](C)C[C@@H]2CC2(C)C)cc1Cl ZINC001232270084 1127653954 /nfs/dbraw/zinc/65/39/54/1127653954.db2.gz SMNDOAHVNJXPEE-NSHDSACASA-N 0 1 283.799 3.532 20 10 CHCDMN COc1cc([O-])c(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1Cl ZINC001232270084 1127653956 /nfs/dbraw/zinc/65/39/56/1127653956.db2.gz SMNDOAHVNJXPEE-NSHDSACASA-N 0 1 283.799 3.532 20 10 CHCDMN C[C@@H]1CCCC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237934219 1129222151 /nfs/dbraw/zinc/22/21/51/1129222151.db2.gz JBJVKPNBHXDHCY-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN C[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1F ZINC000777967749 1128352641 /nfs/dbraw/zinc/35/26/41/1128352641.db2.gz ZAMAMLSNMCDXTO-FZMZJTMJSA-N 0 1 295.398 3.575 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1[O-] ZINC000779089657 1128726669 /nfs/dbraw/zinc/72/66/69/1128726669.db2.gz VDXZVYGFVZWRIV-UGFHNGPFSA-N 0 1 297.826 3.637 20 10 CHCDMN CSCCCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000185163353 1117775943 /nfs/dbraw/zinc/77/59/43/1117775943.db2.gz IMMAFAXYBBSMTA-UHFFFAOYSA-N 0 1 273.829 3.669 20 10 CHCDMN CC(C)C1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186100003 1117992751 /nfs/dbraw/zinc/99/27/51/1117992751.db2.gz OPSKVSVREVBUMG-NSHDSACASA-N 0 1 251.345 3.618 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCc2ccccc2CC1 ZINC000211409240 1118027280 /nfs/dbraw/zinc/02/72/80/1118027280.db2.gz VYRFASDMNNTTBY-UHFFFAOYSA-N 0 1 287.790 3.646 20 10 CHCDMN C[C@H]1CSCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179663767 1128754450 /nfs/dbraw/zinc/75/44/50/1128754450.db2.gz MVMQSBLATFQPPP-QMMMGPOBSA-N 0 1 292.231 3.636 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2C)c1O ZINC000252854016 1118550239 /nfs/dbraw/zinc/55/02/39/1118550239.db2.gz KPFGFBCITUUHPG-WDEREUQCSA-N 0 1 283.799 3.675 20 10 CHCDMN CC[C@H](C)C[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000093251805 1118593720 /nfs/dbraw/zinc/59/37/20/1118593720.db2.gz WMBHZYMOWUYRKP-NSHDSACASA-N 0 1 281.371 3.602 20 10 CHCDMN C[C@@H]1CC[C@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707146234 1118648378 /nfs/dbraw/zinc/64/83/78/1118648378.db2.gz KLNFQHYYTWAKHP-MNOVXSKESA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707146234 1118648380 /nfs/dbraw/zinc/64/83/80/1118648380.db2.gz KLNFQHYYTWAKHP-MNOVXSKESA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000309587831 1119522992 /nfs/dbraw/zinc/52/29/92/1119522992.db2.gz SQJNWIPLYVMSRD-PTRXPTGYSA-N 0 1 284.197 3.604 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000756562055 1120522548 /nfs/dbraw/zinc/52/25/48/1120522548.db2.gz FDLFNUPBRMQHTJ-TZMCWYRMSA-N 0 1 285.362 3.912 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Cl)C(C1CC1)C1CC1 ZINC000123647886 1120555591 /nfs/dbraw/zinc/55/55/91/1120555591.db2.gz XLOXDTBTNIVIHT-UHFFFAOYSA-N 0 1 265.784 3.666 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C(C1CC1)C1CC1 ZINC000123647886 1120555596 /nfs/dbraw/zinc/55/55/96/1120555596.db2.gz XLOXDTBTNIVIHT-UHFFFAOYSA-N 0 1 265.784 3.666 20 10 CHCDMN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000314201722 1120905113 /nfs/dbraw/zinc/90/51/13/1120905113.db2.gz QELSTISMLNZLTH-INIZCTEOSA-N 0 1 295.430 3.923 20 10 CHCDMN C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc2ccccc2c1[O-] ZINC000185368891 1120910705 /nfs/dbraw/zinc/91/07/05/1120910705.db2.gz BVLZCAOZTDLOGE-UONOGXRCSA-N 0 1 298.430 3.679 20 10 CHCDMN Cc1cc(CNCc2ccccn2)c(C)n1-c1ccccc1 ZINC000314382076 1120937083 /nfs/dbraw/zinc/93/70/83/1120937083.db2.gz QUQOBJGDTHDVBB-UHFFFAOYSA-N 0 1 291.398 3.779 20 10 CHCDMN CO[C@@H](C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000273617857 1120973321 /nfs/dbraw/zinc/97/33/21/1120973321.db2.gz YCSOSONNEIMJNT-QWHCGFSZSA-N 0 1 273.376 3.621 20 10 CHCDMN CC1(C)CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000218963136 1120991979 /nfs/dbraw/zinc/99/19/79/1120991979.db2.gz NRIWCHOCKXYWKZ-LBPRGKRZSA-N 0 1 298.224 3.823 20 10 CHCDMN C[C@@H]([NH2+]CC[C@H](C)F)c1ccc2ccccc2c1[O-] ZINC000702625084 1121206161 /nfs/dbraw/zinc/20/61/61/1121206161.db2.gz XCGMDEOENOIJOI-NWDGAFQWSA-N 0 1 261.340 3.944 20 10 CHCDMN CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000766088347 1121207211 /nfs/dbraw/zinc/20/72/11/1121207211.db2.gz HUXADWRRIIUVRI-HUUCEWRRSA-N 0 1 297.826 3.727 20 10 CHCDMN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000766088345 1121207689 /nfs/dbraw/zinc/20/76/89/1121207689.db2.gz HUXADWRRIIUVRI-CABCVRRESA-N 0 1 297.826 3.727 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1cc(F)ccc1[O-] ZINC000706226655 1121420142 /nfs/dbraw/zinc/42/01/42/1121420142.db2.gz SDSWRBHGIMQVAW-RYUDHWBXSA-N 0 1 263.356 3.762 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@H](C)C(C)C ZINC000706652499 1121434727 /nfs/dbraw/zinc/43/47/27/1121434727.db2.gz KLMOHIFDHSPQRZ-LLVKDONJSA-N 0 1 285.815 3.921 20 10 CHCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H](C)C(C)C ZINC000706652499 1121434731 /nfs/dbraw/zinc/43/47/31/1121434731.db2.gz KLMOHIFDHSPQRZ-LLVKDONJSA-N 0 1 285.815 3.921 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H](C)C(C)C ZINC000706652499 1121434734 /nfs/dbraw/zinc/43/47/34/1121434734.db2.gz KLMOHIFDHSPQRZ-LLVKDONJSA-N 0 1 285.815 3.921 20 10 CHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccccc1F ZINC001203357002 1121806827 /nfs/dbraw/zinc/80/68/27/1121806827.db2.gz CHOOQVDWINRUNH-UHFFFAOYSA-N 0 1 286.394 3.914 20 10 CHCDMN CC[C@@H](NCc1ccc(N(C)CC)cc1)c1nccs1 ZINC000773839020 1121952365 /nfs/dbraw/zinc/95/23/65/1121952365.db2.gz OQTGPGTTWKSRJA-OAHLLOKOSA-N 0 1 289.448 3.840 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC001180198580 1121965401 /nfs/dbraw/zinc/96/54/01/1121965401.db2.gz DWXFECKJFCCYCM-NXEZZACHSA-N 0 1 271.763 3.663 20 10 CHCDMN Cc1ccccc1OCC[NH2+]Cc1c([O-])cccc1Cl ZINC000733325048 1121976873 /nfs/dbraw/zinc/97/68/73/1121976873.db2.gz UIWLSZVNYXLVOC-UHFFFAOYSA-N 0 1 291.778 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+]C/C=C\c1ccccc1 ZINC001180332189 1121980938 /nfs/dbraw/zinc/98/09/38/1121980938.db2.gz OMJIFTJYOHGSDN-DAXSKMNVSA-N 0 1 273.763 3.849 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC(C)=C(C)C2)c(Cl)c1 ZINC001181284488 1122045847 /nfs/dbraw/zinc/04/58/47/1122045847.db2.gz BERBBVLOBQAXTI-UHFFFAOYSA-N 0 1 265.784 3.896 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC(C)=C(C)C2)c(Cl)c1 ZINC001181284488 1122045854 /nfs/dbraw/zinc/04/58/54/1122045854.db2.gz BERBBVLOBQAXTI-UHFFFAOYSA-N 0 1 265.784 3.896 20 10 CHCDMN Cc1ccc(O)c(CNCc2c(F)ccc(F)c2Cl)c1 ZINC001182960147 1122197156 /nfs/dbraw/zinc/19/71/56/1122197156.db2.gz OYRKIMAJTMPZDA-UHFFFAOYSA-N 0 1 297.732 3.922 20 10 CHCDMN C/C=C/C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001183168707 1122211943 /nfs/dbraw/zinc/21/19/43/1122211943.db2.gz AHFYLVADGLGLBD-IBUXWKBASA-N 0 1 263.356 3.710 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(CCF)CC1 ZINC001183248858 1122215303 /nfs/dbraw/zinc/21/53/03/1122215303.db2.gz RPAZXHJJCCOOOW-UHFFFAOYSA-N 0 1 271.763 3.617 20 10 CHCDMN Cc1cnccc1CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273528120 1122237273 /nfs/dbraw/zinc/23/72/73/1122237273.db2.gz VURWIHQLRIVJKW-LBPRGKRZSA-N 0 1 290.794 3.642 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)cc1Cl ZINC001183822051 1122242192 /nfs/dbraw/zinc/24/21/92/1122242192.db2.gz AUGTUBVTEVLQDS-RETIQXCHSA-N 0 1 279.811 3.736 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc2ccccc2c1[O-] ZINC000319798444 1122411918 /nfs/dbraw/zinc/41/19/18/1122411918.db2.gz ANXLDSVOVFWBLO-LZWOXQAQSA-N 0 1 299.414 3.747 20 10 CHCDMN CCOc1ccc(C[N@H+](CC2CCC2)C(C)C)c([O-])c1 ZINC000775175389 1122466319 /nfs/dbraw/zinc/46/63/19/1122466319.db2.gz FBOVKUSARGJGBP-UHFFFAOYSA-N 0 1 277.408 3.801 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC2CCC2)C(C)C)c([O-])c1 ZINC000775175389 1122466321 /nfs/dbraw/zinc/46/63/21/1122466321.db2.gz FBOVKUSARGJGBP-UHFFFAOYSA-N 0 1 277.408 3.801 20 10 CHCDMN CC[C@@H]([NH2+]CCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775483467 1122616596 /nfs/dbraw/zinc/61/65/96/1122616596.db2.gz WNXQZECDRKBSGV-OAHLLOKOSA-N 0 1 290.794 3.724 20 10 CHCDMN CC[C@H]([NH2+]Cc1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775489768 1122620289 /nfs/dbraw/zinc/62/02/89/1122620289.db2.gz SBERKTNJKQQFQI-AWEZNQCLSA-N 0 1 294.782 3.891 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775490648 1122620355 /nfs/dbraw/zinc/62/03/55/1122620355.db2.gz CVUJNVFPFIBKDF-RISCZKNCSA-N 0 1 283.799 3.513 20 10 CHCDMN CC[C@@H]([NH2+]CCc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000775493273 1122622624 /nfs/dbraw/zinc/62/26/24/1122622624.db2.gz WWFJRZWMOLBZJE-OAHLLOKOSA-N 0 1 290.794 3.724 20 10 CHCDMN CC[C@H]([NH2+]CCCSC)c1cc(Cl)ccc1[O-] ZINC000775508633 1122629627 /nfs/dbraw/zinc/62/96/27/1122629627.db2.gz WAMROXKZJLHQBA-LBPRGKRZSA-N 0 1 273.829 3.839 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000775508579 1122629675 /nfs/dbraw/zinc/62/96/75/1122629675.db2.gz CVEDUGRDNDCINM-QMTHXVAHSA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@@H]([NH2+]CCc1nccs1)c1cc(Cl)ccc1[O-] ZINC000775500630 1122629914 /nfs/dbraw/zinc/62/99/14/1122629914.db2.gz VLYXRTKRVQTPKH-GFCCVEGCSA-N 0 1 296.823 3.786 20 10 CHCDMN CC[C@@H]([NH2+]CC(C)(C)OC)c1cc(Cl)ccc1[O-] ZINC000775513188 1122633643 /nfs/dbraw/zinc/63/36/43/1122633643.db2.gz HNQFEPMQWBPURV-GFCCVEGCSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@H]([NH2+]C[C@]1(C)CCCO1)c1cc(Cl)ccc1[O-] ZINC000775514141 1122634383 /nfs/dbraw/zinc/63/43/83/1122634383.db2.gz XEYAHOMBODMLNG-ZFWWWQNUSA-N 0 1 283.799 3.655 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cc(Cl)ccc1[O-] ZINC000775514140 1122634441 /nfs/dbraw/zinc/63/44/41/1122634441.db2.gz XEYAHOMBODMLNG-UKRRQHHQSA-N 0 1 283.799 3.655 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cccc(F)n1)c1cc(Cl)ccc1[O-] ZINC000775523248 1122638506 /nfs/dbraw/zinc/63/85/06/1122638506.db2.gz GSRAJKNFHCFNNZ-CYBMUJFWSA-N 0 1 294.757 3.821 20 10 CHCDMN CC[C@@H]([NH2+]C1CCSCC1)c1cc(Cl)ccc1[O-] ZINC000775519399 1122638964 /nfs/dbraw/zinc/63/89/64/1122638964.db2.gz NLNIKQRRIQORJG-CYBMUJFWSA-N 0 1 285.840 3.982 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775548485 1122659280 /nfs/dbraw/zinc/65/92/80/1122659280.db2.gz SZETVYNIHMMDIJ-HUBLWGQQSA-N 0 1 297.826 3.901 20 10 CHCDMN CO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)CC1(C)C ZINC000295121635 1122742486 /nfs/dbraw/zinc/74/24/86/1122742486.db2.gz XLRXMKYGLXPDIX-SFHVURJKSA-N 0 1 299.414 3.792 20 10 CHCDMN CO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CC1(C)C ZINC000295121635 1122742492 /nfs/dbraw/zinc/74/24/92/1122742492.db2.gz XLRXMKYGLXPDIX-SFHVURJKSA-N 0 1 299.414 3.792 20 10 CHCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1(C)C ZINC000295121635 1122742496 /nfs/dbraw/zinc/74/24/96/1122742496.db2.gz XLRXMKYGLXPDIX-SFHVURJKSA-N 0 1 299.414 3.792 20 10 CHCDMN CC(C)[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CC1 ZINC000775656137 1122869365 /nfs/dbraw/zinc/86/93/65/1122869365.db2.gz AYRMHLNZZGKZEA-UHFFFAOYSA-N 0 1 271.763 3.805 20 10 CHCDMN CCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775690291 1122910048 /nfs/dbraw/zinc/91/00/48/1122910048.db2.gz PMLPYKMXTNFZHL-UHFFFAOYSA-N 0 1 259.752 3.805 20 10 CHCDMN CC[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775689220 1122911422 /nfs/dbraw/zinc/91/14/22/1122911422.db2.gz AVDJLTCJEAMQHZ-UHFFFAOYSA-N 0 1 294.757 3.602 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000775690861 1122912983 /nfs/dbraw/zinc/91/29/83/1122912983.db2.gz YQZSPALKRGWOHF-UHFFFAOYSA-N 0 1 291.753 3.743 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000776174780 1123101838 /nfs/dbraw/zinc/10/18/38/1123101838.db2.gz GINKZSMIBGNGFR-ZDUSSCGKSA-N 0 1 287.790 3.865 20 10 CHCDMN CCCC[C@@H](CC)C[N@H+]1CCc2cccc(O)c2C1 ZINC001201568286 1123125937 /nfs/dbraw/zinc/12/59/37/1123125937.db2.gz QHGSNDCNOZANSS-CQSZACIVSA-N 0 1 261.409 3.967 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C1CCOCC1 ZINC000776230882 1123163428 /nfs/dbraw/zinc/16/34/28/1123163428.db2.gz BOSISMHEVBLUHR-OAHLLOKOSA-N 0 1 297.826 3.649 20 10 CHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000776253076 1123179382 /nfs/dbraw/zinc/17/93/82/1123179382.db2.gz NSIXGBYSNFEELR-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC[C@]2(C)CC2(F)F)c(Cl)c1 ZINC000850380982 1123261372 /nfs/dbraw/zinc/26/13/72/1123261372.db2.gz SGLNFCURTOJNLF-CYBMUJFWSA-N 0 1 289.753 3.879 20 10 CHCDMN COC1CC(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000850482779 1123273980 /nfs/dbraw/zinc/27/39/80/1123273980.db2.gz RELDNBLJGDGVPB-ZBOXLXRLSA-N 0 1 283.799 3.511 20 10 CHCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CCC(O)CC2)c1[O-] ZINC000850553351 1123290233 /nfs/dbraw/zinc/29/02/33/1123290233.db2.gz WJAUCAZDRKGHQV-LKSINWNRSA-N 0 1 297.826 3.556 20 10 CHCDMN C[C@@H]([NH2+]CC1=CCCC1)c1ccc(Cl)cc1[O-] ZINC000850556224 1123291164 /nfs/dbraw/zinc/29/11/64/1123291164.db2.gz DRTSBRULMCVKTF-SNVBAGLBSA-N 0 1 251.757 3.807 20 10 CHCDMN COC1(C)CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000271660142 1129114861 /nfs/dbraw/zinc/11/48/61/1129114861.db2.gz XMRWHRQBKSUEMF-UHFFFAOYSA-N 0 1 285.387 3.546 20 10 CHCDMN CCN(Cc1cc(C2CC2)no1)Cc1ccc(N(C)C)cc1 ZINC000851721712 1123374696 /nfs/dbraw/zinc/37/46/96/1123374696.db2.gz PKESGKAYAQDFMF-UHFFFAOYSA-N 0 1 299.418 3.640 20 10 CHCDMN COc1cccc(CN(C)Cc2ccccc2O)c1Cl ZINC000851841472 1123384327 /nfs/dbraw/zinc/38/43/27/1123384327.db2.gz SQOOHBPQQZYSEM-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CCCCO2)CC1 ZINC000895654080 1123501496 /nfs/dbraw/zinc/50/14/96/1123501496.db2.gz ONUFSLCDCNKUAY-UHFFFAOYSA-N 0 1 295.810 3.581 20 10 CHCDMN Cc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c(C)o1 ZINC000113330329 1123521363 /nfs/dbraw/zinc/52/13/63/1123521363.db2.gz WPJCWTZICSUPAD-LBPRGKRZSA-N 0 1 290.382 3.952 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc2ccccc21 ZINC000895848597 1123521474 /nfs/dbraw/zinc/52/14/74/1123521474.db2.gz SEKLUKUBRXQVRZ-QAPCUYQASA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc2ccccc21 ZINC000895848597 1123521476 /nfs/dbraw/zinc/52/14/76/1123521476.db2.gz SEKLUKUBRXQVRZ-QAPCUYQASA-N 0 1 297.398 3.546 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)CC2CCCC2)c1[O-] ZINC000228631248 1123634647 /nfs/dbraw/zinc/63/46/47/1123634647.db2.gz LHMYCYVFXDZCCK-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)CC2CCCC2)c1[O-] ZINC000228631248 1123634649 /nfs/dbraw/zinc/63/46/49/1123634649.db2.gz LHMYCYVFXDZCCK-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN C[C@@H](C[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000116879167 1123704034 /nfs/dbraw/zinc/70/40/34/1123704034.db2.gz ZFWSULUOMRJSAM-AWEZNQCLSA-N 0 1 255.361 3.628 20 10 CHCDMN CC(C)[N@H+](Cc1c([O-])cccc1Br)C1CC1 ZINC000862223110 1123793392 /nfs/dbraw/zinc/79/33/92/1123793392.db2.gz NZJQJSITYCWSDC-UHFFFAOYSA-N 0 1 284.197 3.528 20 10 CHCDMN CC(C)[N@@H+](Cc1c([O-])cccc1Br)C1CC1 ZINC000862223110 1123793393 /nfs/dbraw/zinc/79/33/93/1123793393.db2.gz NZJQJSITYCWSDC-UHFFFAOYSA-N 0 1 284.197 3.528 20 10 CHCDMN Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])nc1C ZINC000840782337 1123797686 /nfs/dbraw/zinc/79/76/86/1123797686.db2.gz ACMMIHSDBZKHFQ-GFCCVEGCSA-N 0 1 290.794 3.908 20 10 CHCDMN COCCC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000862438213 1123809976 /nfs/dbraw/zinc/80/99/76/1123809976.db2.gz YFDQSBFYZUISOW-UHFFFAOYSA-N 0 1 299.414 3.794 20 10 CHCDMN COC1CCC([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000840793401 1123811067 /nfs/dbraw/zinc/81/10/67/1123811067.db2.gz ZOOQBBCIBGBOCJ-DLOFLVKXSA-N 0 1 293.382 3.627 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H](C)CCOC)c1cc(Cl)ccc1[O-] ZINC000840836223 1123838827 /nfs/dbraw/zinc/83/88/27/1123838827.db2.gz VWEFAKUCUYVICX-FZMZJTMJSA-N 0 1 285.815 3.759 20 10 CHCDMN COc1cc(Cl)ccc1NCc1ccc(F)c(F)c1O ZINC000864032567 1123911332 /nfs/dbraw/zinc/91/13/32/1123911332.db2.gz QIEHGABIWPXLDN-UHFFFAOYSA-N 0 1 299.704 3.945 20 10 CHCDMN CCc1ccc(NCc2ccc(F)c(F)c2O)cc1OC ZINC000864038299 1123912655 /nfs/dbraw/zinc/91/26/55/1123912655.db2.gz LUBFIIFLZGBPPL-UHFFFAOYSA-N 0 1 293.313 3.854 20 10 CHCDMN Oc1c(CNc2ccccc2OCCF)ccc(F)c1F ZINC000864038740 1123912988 /nfs/dbraw/zinc/91/29/88/1123912988.db2.gz UUWOOENPNMAPRG-UHFFFAOYSA-N 0 1 297.276 3.631 20 10 CHCDMN C[C@@H]([NH2+]CC(C)(C)F)c1cc(Br)ccc1[O-] ZINC000866409302 1124064403 /nfs/dbraw/zinc/06/44/03/1124064403.db2.gz XZKAFLRZUUOYIP-MRVPVSSYSA-N 0 1 290.176 3.553 20 10 CHCDMN CC[C@@H](NCc1ccn(C2CCCC2)n1)c1ccccc1O ZINC000121102659 1124077054 /nfs/dbraw/zinc/07/70/54/1124077054.db2.gz QKOOMTJWGAKXIS-QGZVFWFLSA-N 0 1 299.418 3.945 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(Cl)cc1[O-] ZINC000872108970 1124685124 /nfs/dbraw/zinc/68/51/24/1124685124.db2.gz ZORNIJYGFAYDPJ-GPMKHBRKSA-N 0 1 295.810 3.654 20 10 CHCDMN Oc1ccccc1C[N@@H+](CCC[C@H]1CCO1)C1CCCC1 ZINC000876720757 1124972286 /nfs/dbraw/zinc/97/22/86/1124972286.db2.gz CGIBWYGSSRZMQX-KRWDZBQOSA-N 0 1 289.419 3.706 20 10 CHCDMN [O-]c1ccccc1C[N@H+](CCC[C@H]1CCO1)C1CCCC1 ZINC000876720757 1124972292 /nfs/dbraw/zinc/97/22/92/1124972292.db2.gz CGIBWYGSSRZMQX-KRWDZBQOSA-N 0 1 289.419 3.706 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](CCC[C@H]1CCO1)C1CCCC1 ZINC000876720757 1124972295 /nfs/dbraw/zinc/97/22/95/1124972295.db2.gz CGIBWYGSSRZMQX-KRWDZBQOSA-N 0 1 289.419 3.706 20 10 CHCDMN CCC(CC)c1cc(CNCc2c(C)cccc2O)on1 ZINC000877063260 1125004120 /nfs/dbraw/zinc/00/41/20/1125004120.db2.gz HLASSVSVSMGEOG-UHFFFAOYSA-N 0 1 288.391 3.882 20 10 CHCDMN CC[C@@H](C)n1ncc(NCc2ccc(F)c(F)c2O)c1C ZINC000877474635 1125031688 /nfs/dbraw/zinc/03/16/88/1125031688.db2.gz YNYOTMBCFRESNK-SECBINFHSA-N 0 1 295.333 3.758 20 10 CHCDMN Oc1cccc2c1CN(Cc1ccc(C(F)F)cc1)C2 ZINC000877702939 1125066171 /nfs/dbraw/zinc/06/61/71/1125066171.db2.gz KTIPRJGJFWGSKN-UHFFFAOYSA-N 0 1 275.298 3.846 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127366871 1125087129 /nfs/dbraw/zinc/08/71/29/1125087129.db2.gz DWOKBXJRZUDSGC-CQSZACIVSA-N 0 1 276.767 3.711 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127366871 1125087135 /nfs/dbraw/zinc/08/71/35/1125087135.db2.gz DWOKBXJRZUDSGC-CQSZACIVSA-N 0 1 276.767 3.711 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000211442694 1125306162 /nfs/dbraw/zinc/30/61/62/1125306162.db2.gz MTUKZRQVZJZBKJ-FZMZJTMJSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000211442694 1125306166 /nfs/dbraw/zinc/30/61/66/1125306166.db2.gz MTUKZRQVZJZBKJ-FZMZJTMJSA-N 0 1 265.784 3.810 20 10 CHCDMN CSc1ccc(CNCc2ccc(N(C)C)cc2C)o1 ZINC000883003263 1125367250 /nfs/dbraw/zinc/36/72/50/1125367250.db2.gz HBFFGEMMDSYODO-UHFFFAOYSA-N 0 1 290.432 3.666 20 10 CHCDMN Oc1cccc2c1[C@H](N[C@@H]1c3ccccc3CC[C@@H]1F)CC2 ZINC000883378015 1125404736 /nfs/dbraw/zinc/40/47/36/1125404736.db2.gz XVHFLYFTZQYFHA-FRQCXROJSA-N 0 1 297.373 3.995 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)C(F)F)c1cccc(Cl)c1[O-] ZINC000883400127 1125408783 /nfs/dbraw/zinc/40/87/83/1125408783.db2.gz FHNFBLYEHJZYMD-GMSGAONNSA-N 0 1 263.715 3.740 20 10 CHCDMN CN(C)c1ccc(CNc2cc3c(cn2)CCCC3)cc1F ZINC001202561027 1125430229 /nfs/dbraw/zinc/43/02/29/1125430229.db2.gz PIJVCZARUGIPPQ-UHFFFAOYSA-N 0 1 299.393 3.778 20 10 CHCDMN CSC(C)(C)C[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC001258347584 1129232590 /nfs/dbraw/zinc/23/25/90/1129232590.db2.gz XGYSWVBEPDCKJX-GFCCVEGCSA-N 0 1 267.438 3.744 20 10 CHCDMN C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000038095431 1129336300 /nfs/dbraw/zinc/33/63/00/1129336300.db2.gz RJHXNUFPDCEZJB-UKRRQHHQSA-N 0 1 285.387 3.765 20 10 CHCDMN CCN(CC)c1ccc(CN(C)Cc2cccc(C)n2)cc1 ZINC000736946181 1129382051 /nfs/dbraw/zinc/38/20/51/1129382051.db2.gz WTRNIQWGGNMBCK-UHFFFAOYSA-N 0 1 297.446 3.868 20 10 CHCDMN CO[C@@H](C)C[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000795752560 1129446826 /nfs/dbraw/zinc/44/68/26/1129446826.db2.gz UGABURQZTGOABX-LBPRGKRZSA-N 0 1 299.370 3.758 20 10 CHCDMN CO[C@@H](C)C[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000795752560 1129446828 /nfs/dbraw/zinc/44/68/28/1129446828.db2.gz UGABURQZTGOABX-LBPRGKRZSA-N 0 1 299.370 3.758 20 10 CHCDMN C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000720911172 1129720586 /nfs/dbraw/zinc/72/05/86/1129720586.db2.gz HJMMOHRTANERMT-VIFPVBQESA-N 0 1 273.298 3.617 20 10 CHCDMN CCOc1ccc(C[N@H+](C)C2CCCCC2)c([O-])c1 ZINC000768139631 1129836982 /nfs/dbraw/zinc/83/69/82/1129836982.db2.gz VGOIZLIBKQWLKL-UHFFFAOYSA-N 0 1 263.381 3.555 20 10 CHCDMN CCOc1ccc(C[N@@H+](C)C2CCCCC2)c([O-])c1 ZINC000768139631 1129836987 /nfs/dbraw/zinc/83/69/87/1129836987.db2.gz VGOIZLIBKQWLKL-UHFFFAOYSA-N 0 1 263.381 3.555 20 10 CHCDMN CCOc1ccc(C[N@H+]2CCC[C@H]2CC(C)C)c(O)c1 ZINC000768316321 1129851959 /nfs/dbraw/zinc/85/19/59/1129851959.db2.gz CLIHFDJFPZJKRU-HNNXBMFYSA-N 0 1 277.408 3.801 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000800274138 1129861013 /nfs/dbraw/zinc/86/10/13/1129861013.db2.gz KCEHQMHGZLJCDY-SNVBAGLBSA-N 0 1 289.753 3.961 20 10 CHCDMN Cc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)oc1C ZINC000800475221 1129875670 /nfs/dbraw/zinc/87/56/70/1129875670.db2.gz VLMKZKVFMYSZLY-GFCCVEGCSA-N 0 1 290.382 3.952 20 10 CHCDMN C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000801732428 1129941399 /nfs/dbraw/zinc/94/13/99/1129941399.db2.gz KLXQAPISWBBURV-CLLJXQQHSA-N 0 1 297.826 3.729 20 10 CHCDMN O=C(Nc1ccc2ccccc2c1)c1c(F)ccc(O)c1O ZINC000790065295 1130288736 /nfs/dbraw/zinc/28/87/36/1130288736.db2.gz LDXUPTALKWEZMI-UHFFFAOYSA-N 0 1 297.285 3.642 20 10 CHCDMN Cc1cc(Cl)cc(CN2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000790930502 1130338724 /nfs/dbraw/zinc/33/87/24/1130338724.db2.gz DCBOVXJSHIUCPO-CQSZACIVSA-N 0 1 297.826 3.601 20 10 CHCDMN CC(C)[C@H]1[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1(C)C ZINC001206040247 1130389745 /nfs/dbraw/zinc/38/97/45/1130389745.db2.gz PNALVZLRWLTMNX-CQSZACIVSA-N 0 1 269.335 3.537 20 10 CHCDMN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792164798 1130433851 /nfs/dbraw/zinc/43/38/51/1130433851.db2.gz FGHFPWPHXLXSAK-BDAKNGLRSA-N 0 1 289.803 3.511 20 10 CHCDMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792157419 1130434455 /nfs/dbraw/zinc/43/44/55/1130434455.db2.gz WLZLFEDWMRQBHU-VIFPVBQESA-N 0 1 257.736 3.559 20 10 CHCDMN C[N@@H+](CCc1cccs1)Cc1c([O-])ccc(Cl)c1F ZINC000792170795 1130436468 /nfs/dbraw/zinc/43/64/68/1130436468.db2.gz XLBBUCICNSQDEE-UHFFFAOYSA-N 0 1 299.798 3.921 20 10 CHCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)CC1CCC1 ZINC000793352324 1130549364 /nfs/dbraw/zinc/54/93/64/1130549364.db2.gz LHUUYSAVSAIRKT-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN CC[N@H+](Cc1c([O-])cccc1Cl)CC1CCC1 ZINC000793352324 1130549367 /nfs/dbraw/zinc/54/93/67/1130549367.db2.gz LHUUYSAVSAIRKT-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN C/C=C(\CC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000811528209 1130615269 /nfs/dbraw/zinc/61/52/69/1130615269.db2.gz AQIDTJGOOIQIAR-FPYGCLRLSA-N 0 1 288.174 3.672 20 10 CHCDMN C[C@H](Nc1cc2c(cn1)CCCC2)c1cc(F)ccc1O ZINC000812739193 1130709829 /nfs/dbraw/zinc/70/98/29/1130709829.db2.gz MTVGYTVLXTUGMH-NSHDSACASA-N 0 1 286.350 3.978 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000781902602 1130746746 /nfs/dbraw/zinc/74/67/46/1130746746.db2.gz RBCRTFSNFPDNRR-LBPRGKRZSA-N 0 1 298.224 3.838 20 10 CHCDMN CC(=O)[C@H]1CCCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235678105 1130767129 /nfs/dbraw/zinc/76/71/29/1130767129.db2.gz JJQWGIZLJXDQRX-MRXNPFEDSA-N 0 1 289.419 3.633 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Cl)ccc1[O-] ZINC000783310565 1130815771 /nfs/dbraw/zinc/81/57/71/1130815771.db2.gz PMQSEDCLCCQKIA-TZMCWYRMSA-N 0 1 281.783 3.779 20 10 CHCDMN Cc1ccoc1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000814175449 1130834131 /nfs/dbraw/zinc/83/41/31/1130834131.db2.gz 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3.952 20 10 CHCDMN CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000846202765 1131699909 /nfs/dbraw/zinc/69/99/09/1131699909.db2.gz QZDPWMUPBIIPQV-PSOPSSQASA-N 0 1 283.799 3.654 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001140342327 1131703432 /nfs/dbraw/zinc/70/34/32/1131703432.db2.gz DGEXTHHYMWBWOF-UHFFFAOYSA-N 0 1 295.810 3.579 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001140342327 1131703436 /nfs/dbraw/zinc/70/34/36/1131703436.db2.gz DGEXTHHYMWBWOF-UHFFFAOYSA-N 0 1 295.810 3.579 20 10 CHCDMN CC[C@](C)(C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])OC ZINC000834883162 1131717415 /nfs/dbraw/zinc/71/74/15/1131717415.db2.gz ZOWPICLAQJKAPE-IINYFYTJSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[N@@H+](Cc1cc(F)cc(OC)c1)Cc1ccccc1O ZINC001140484102 1131761054 /nfs/dbraw/zinc/76/10/54/1131761054.db2.gz JYFIKAWBZQBHHC-UHFFFAOYSA-N 0 1 289.350 3.562 20 10 CHCDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CC1(C)C ZINC001171285840 1131799022 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COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)CC2)cc1Cl ZINC001232263825 1132445266 /nfs/dbraw/zinc/44/52/66/1132445266.db2.gz APVHAWIFCIGABZ-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)CC2)cc1Cl ZINC001232263825 1132445270 /nfs/dbraw/zinc/44/52/70/1132445270.db2.gz APVHAWIFCIGABZ-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN Oc1cc(O)c(C[N@H+]2CCC3(CCCC3)C2)cc1Cl ZINC001232269133 1132446393 /nfs/dbraw/zinc/44/63/93/1132446393.db2.gz WNWOYDVSJMDAGQ-UHFFFAOYSA-N 0 1 281.783 3.517 20 10 CHCDMN [O-]c1cc(O)c(C[N@@H+]2CCC3(CCCC3)C2)cc1Cl ZINC001232269133 1132446394 /nfs/dbraw/zinc/44/63/94/1132446394.db2.gz WNWOYDVSJMDAGQ-UHFFFAOYSA-N 0 1 281.783 3.517 20 10 CHCDMN [O-]c1cc(O)c(C[N@H+]2CCC3(CCCC3)C2)cc1Cl ZINC001232269133 1132446397 /nfs/dbraw/zinc/44/63/97/1132446397.db2.gz WNWOYDVSJMDAGQ-UHFFFAOYSA-N 0 1 281.783 3.517 20 10 CHCDMN CN(Cc1csc(Cl)c1)Cc1ccccc1O ZINC001142775745 1132446406 /nfs/dbraw/zinc/44/64/06/1132446406.db2.gz KMABGBXGYVQPAU-UHFFFAOYSA-N 0 1 267.781 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[O-]c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001233451510 1132624556 /nfs/dbraw/zinc/62/45/56/1132624556.db2.gz NBXQVYYKSBLXFN-PHIMTYICSA-N 0 1 285.309 3.643 20 10 CHCDMN Cc1c[nH+]ccc1Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001174538739 1132899003 /nfs/dbraw/zinc/89/90/03/1132899003.db2.gz OIIRJRRPRBZWIE-UHFFFAOYSA-N 0 1 283.158 3.876 20 10 CHCDMN COc1ccnc(NCc2cc3ccccc3cc2O)c1 ZINC001160207296 1132945665 /nfs/dbraw/zinc/94/56/65/1132945665.db2.gz VZAWJPMZJGBOGH-UHFFFAOYSA-N 0 1 280.327 3.561 20 10 CHCDMN Cc1cc(C)c(CNc2cc(C)c(C)cn2)c(O)c1 ZINC001160811085 1132982836 /nfs/dbraw/zinc/98/28/36/1132982836.db2.gz FDGGJYQJWKSPJT-UHFFFAOYSA-N 0 1 256.349 3.633 20 10 CHCDMN CC1(C)C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203572386 1133341364 /nfs/dbraw/zinc/34/13/64/1133341364.db2.gz YGQNQNSZXYVZKP-UHFFFAOYSA-N 0 1 260.164 3.541 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001203652054 1133347276 /nfs/dbraw/zinc/34/72/76/1133347276.db2.gz ZSHXDEXJIMECHR-SKDRFNHKSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001203652054 1133347280 /nfs/dbraw/zinc/34/72/80/1133347280.db2.gz ZSHXDEXJIMECHR-SKDRFNHKSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(c2ccccc2)C1 ZINC001203664291 1133351945 /nfs/dbraw/zinc/35/19/45/1133351945.db2.gz WJFTXBABJHISLN-UHFFFAOYSA-N 0 1 273.763 3.645 20 10 CHCDMN CCC[N@H+](Cc1c([O-])ccc(Cl)c1F)CC1CC1 ZINC001204153195 1133412644 /nfs/dbraw/zinc/41/26/44/1133412644.db2.gz BVPUQFYBBZYMHG-UHFFFAOYSA-N 0 1 271.763 3.807 20 10 CHCDMN CC(C)CC[NH+](CCC(C)C)Cc1ccc(O)cc1[O-] ZINC001204277624 1133427364 /nfs/dbraw/zinc/42/73/64/1133427364.db2.gz HDXGKTRBYJMKGY-UHFFFAOYSA-N 0 1 279.424 3.992 20 10 CHCDMN CC(C)[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001204299159 1133432837 /nfs/dbraw/zinc/43/28/37/1133432837.db2.gz QOLJPJHFZIGWRV-LBPRGKRZSA-N 0 1 283.362 3.929 20 10 CHCDMN FC1(F)CC2(CN(Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204320287 1133437036 /nfs/dbraw/zinc/43/70/36/1133437036.db2.gz RFLTXAYSTPMALS-UHFFFAOYSA-N 0 1 292.373 3.518 20 10 CHCDMN CCCCC1CCN(Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204347006 1133438395 /nfs/dbraw/zinc/43/83/95/1133438395.db2.gz KQCZQILOFUSTSO-UHFFFAOYSA-N 0 1 293.407 3.509 20 10 CHCDMN CC(C)Oc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001204458206 1133449971 /nfs/dbraw/zinc/44/99/71/1133449971.db2.gz WPGMCHQKXCAYDZ-UHFFFAOYSA-N 0 1 297.398 3.738 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC001206005711 1133641095 /nfs/dbraw/zinc/64/10/95/1133641095.db2.gz PPYZQZJMHBUZIM-CQSZACIVSA-N 0 1 289.762 3.528 20 10 CHCDMN CC(C)[C@H]1N(Cc2cc(F)c(N(C)C)cc2F)CC1(C)C ZINC001206040947 1133646142 /nfs/dbraw/zinc/64/61/42/1133646142.db2.gz QRXYWZJUPQVAHA-MRXNPFEDSA-N 0 1 296.405 3.897 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc2ccccc2c1[O-] ZINC000038044030 174051369 /nfs/dbraw/zinc/05/13/69/174051369.db2.gz DCWDXJCFMJODSX-KBPBESRZSA-N 0 1 285.387 3.623 20 10 CHCDMN CC[C@H](COC)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000079758228 260176185 /nfs/dbraw/zinc/17/61/85/260176185.db2.gz AXJILDIAQNQPLA-GXTWGEPZSA-N 0 1 273.376 3.621 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(Cl)ccc1[O-] ZINC000184845549 262031078 /nfs/dbraw/zinc/03/10/78/262031078.db2.gz JSOIYQYCKJDTOH-MNOVXSKESA-N 0 1 276.767 3.852 20 10 CHCDMN CCc1nc([C@H](C)N[C@H](C)c2cc(F)ccc2O)cs1 ZINC000185427198 262054284 /nfs/dbraw/zinc/05/42/84/262054284.db2.gz NRBKNZBDTTVXBA-ZJUUUORDSA-N 0 1 294.395 3.962 20 10 CHCDMN Cc1ccc(O)c([C@@H](C)NCc2nc(C3CC3)cs2)c1 ZINC000186117304 262080001 /nfs/dbraw/zinc/08/00/01/262080001.db2.gz PPODJHJJHFVDFK-LLVKDONJSA-N 0 1 288.416 3.885 20 10 CHCDMN CCOCCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000186116184 262080065 /nfs/dbraw/zinc/08/00/65/262080065.db2.gz BGEOGTBAFZNUHF-CYBMUJFWSA-N 0 1 295.398 3.779 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281607688 328240269 /nfs/dbraw/zinc/24/02/69/328240269.db2.gz KLQOFDJKUDCROS-VIFPVBQESA-N 0 1 275.726 3.571 20 10 CHCDMN COCCC1CC[NH+]([C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000527935869 330298102 /nfs/dbraw/zinc/29/81/02/330298102.db2.gz MVFAFOWOGABDDX-LBPRGKRZSA-N 0 1 297.826 3.855 20 10 CHCDMN Cc1ncccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000527983409 330298432 /nfs/dbraw/zinc/29/84/32/330298432.db2.gz AAIXWNOHSNDOJQ-NSHDSACASA-N 0 1 276.767 3.600 20 10 CHCDMN C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000528003896 330300349 /nfs/dbraw/zinc/30/03/49/330300349.db2.gz PBUSEUASCXHYLF-DMZJWBPISA-N 0 1 283.799 3.508 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(Cl)cc1[O-] ZINC000528038145 330303325 /nfs/dbraw/zinc/30/33/25/330303325.db2.gz QUOCTTLDFXAMFV-UWVGGRQHSA-N 0 1 294.757 3.992 20 10 CHCDMN C[C@H](N[C@@H](C)c1ncccc1F)c1ccc(Cl)cc1O ZINC000528038145 330303326 /nfs/dbraw/zinc/30/33/26/330303326.db2.gz QUOCTTLDFXAMFV-UWVGGRQHSA-N 0 1 294.757 3.992 20 10 CHCDMN CCc1cnc(CN[C@@H](CC)c2ccccc2O)s1 ZINC000156090092 330718923 /nfs/dbraw/zinc/71/89/23/330718923.db2.gz NWGZLTKTQZCPDA-ZDUSSCGKSA-N 0 1 276.405 3.652 20 10 CHCDMN CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000094936316 522509658 /nfs/dbraw/zinc/50/96/58/522509658.db2.gz BAEKVJVUDXQGJY-KGLIPLIRSA-N 0 1 287.403 3.605 20 10 CHCDMN C[C@H](Cc1ccsc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000049154916 524762158 /nfs/dbraw/zinc/76/21/58/524762158.db2.gz VBYXZGGIELBVNE-SNVBAGLBSA-N 0 1 281.808 3.828 20 10 CHCDMN CCC[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000019480547 567877758 /nfs/dbraw/zinc/87/77/58/567877758.db2.gz LCXIVURDZVYPGJ-LLVKDONJSA-N 0 1 272.186 3.605 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)[C@@H](C)C1 ZINC000707145799 1118648135 /nfs/dbraw/zinc/64/81/35/1118648135.db2.gz HJJZHDSLWDVUJY-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)[C@@H](C)C1 ZINC000707145799 1118648137 /nfs/dbraw/zinc/64/81/37/1118648137.db2.gz HJJZHDSLWDVUJY-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN CC[C@@H]([NH2+]CCN(CC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775499413 1122627909 /nfs/dbraw/zinc/62/79/09/1122627909.db2.gz CXYKKNBNAREFLU-OAHLLOKOSA-N 0 1 296.842 3.571 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)(C)C ZINC000775659502 1122872230 /nfs/dbraw/zinc/87/22/30/1122872230.db2.gz IJNBJVZNACELNF-UHFFFAOYSA-N 0 1 259.752 3.663 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc(F)ccc1F ZINC000105496126 1123054224 /nfs/dbraw/zinc/05/42/24/1123054224.db2.gz KTPRMJQVFHJZQY-UHFFFAOYSA-N 0 1 283.705 3.614 20 10 CHCDMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876590159 1124964364 /nfs/dbraw/zinc/96/43/64/1124964364.db2.gz UDKQBMNDVFQEMQ-SECBINFHSA-N 0 1 283.343 3.925 20 10 CHCDMN CN(Cc1cc(Cl)nc(Cl)c1)Cc1ccccc1O ZINC000109772051 1125362139 /nfs/dbraw/zinc/36/21/39/1125362139.db2.gz PIQMPSQSUVXEDU-UHFFFAOYSA-N 0 1 297.185 3.726 20 10 CHCDMN CCC(CC)(CCO)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825321149 1131506397 /nfs/dbraw/zinc/50/63/97/1131506397.db2.gz SZCIOAZLNOUMTR-UHFFFAOYSA-N 0 1 299.842 3.632 20 10 CHCDMN CC[C@H]([NH2+]CC1(CC)COC1)c1cc(Cl)ccc1[O-] ZINC000834898464 1131721701 /nfs/dbraw/zinc/72/17/01/1131721701.db2.gz DKSLDMJLUYGHQY-ZDUSSCGKSA-N 0 1 283.799 3.513 20 10 CHCDMN CCC[N@@H+](Cc1c([O-])cc(F)cc1F)[C@@H](C)CC ZINC001140579929 1131805088 /nfs/dbraw/zinc/80/50/88/1131805088.db2.gz MUYYCICUMUAHTG-JTQLQIEISA-N 0 1 257.324 3.681 20 10 CHCDMN Cc1cc(O)c(CN2CCC[C@@](C)(F)C2)cc1Cl ZINC001231867380 1132383138 /nfs/dbraw/zinc/38/31/38/1132383138.db2.gz JVZQMAKZWOXEEY-CQSZACIVSA-N 0 1 271.763 3.678 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233761368 1132674849 /nfs/dbraw/zinc/67/48/49/1132674849.db2.gz TUOBAKNMANUMMU-NSHDSACASA-N 0 1 289.297 3.665 20 10 CHCDMN C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743610 1125568874 /nfs/dbraw/zinc/56/88/74/1125568874.db2.gz IRSLPNZIVHZYNZ-GHMZBOCLSA-N 0 1 279.767 3.920 20 10 CHCDMN CCCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134902527 1125569995 /nfs/dbraw/zinc/56/99/95/1125569995.db2.gz OFNOMJZINCGGQB-VIFPVBQESA-N 0 1 272.186 3.605 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)ccc2ccccc21 ZINC000897506279 1125595852 /nfs/dbraw/zinc/59/58/52/1125595852.db2.gz XSZMREPTMKWGHU-WMZOPIPTSA-N 0 1 297.398 3.593 20 10 CHCDMN Cc1ccc2nc(C[N@H+](C)Cc3ccccc3O)ccc2c1 ZINC001137217289 1125599752 /nfs/dbraw/zinc/59/97/52/1125599752.db2.gz RNVOGDDXIDZBAP-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000769328507 1129902566 /nfs/dbraw/zinc/90/25/66/1129902566.db2.gz JBUIZISCSBMMOK-ZDUSSCGKSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000769328507 1129902567 /nfs/dbraw/zinc/90/25/67/1129902567.db2.gz JBUIZISCSBMMOK-ZDUSSCGKSA-N 0 1 296.208 3.529 20 10 CHCDMN Cc1cc(Cl)cc(CN2CCO[C@H](C(C)(C)C)C2)c1O ZINC000790930498 1130339221 /nfs/dbraw/zinc/33/92/21/1130339221.db2.gz DCBOVXJSHIUCPO-AWEZNQCLSA-N 0 1 297.826 3.601 20 10 CHCDMN C[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237617208 1131118741 /nfs/dbraw/zinc/11/87/41/1131118741.db2.gz NBJLDSSNIDNBKM-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(Cl)ccc1[O-] ZINC000818356924 1131211911 /nfs/dbraw/zinc/21/19/11/1131211911.db2.gz SPXYNVMWOQKRDY-DGCLKSJQSA-N 0 1 251.757 3.639 20 10 CHCDMN CC[N@@H+](Cc1ccncc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000294069407 1127547028 /nfs/dbraw/zinc/54/70/28/1127547028.db2.gz YIDKTXKMEIYHGJ-UHFFFAOYSA-N 0 1 294.757 3.602 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc2ccccc2c1[O-] ZINC000230669591 1127771084 /nfs/dbraw/zinc/77/10/84/1127771084.db2.gz DCYVUZTYZJFNJR-NWDGAFQWSA-N 0 1 281.359 3.680 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000373231441 1127830200 /nfs/dbraw/zinc/83/02/00/1127830200.db2.gz XUGPZOVXDRZHCO-LLVKDONJSA-N 0 1 277.751 3.628 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC001233074688 1127923554 /nfs/dbraw/zinc/92/35/54/1127923554.db2.gz SSRBBMRRWIYDBX-MNOVXSKESA-N 0 1 269.335 3.538 20 10 CHCDMN C[C@@H]([NH2+]CC1CCC1)c1ccc(Br)cc1[O-] ZINC000134915748 1128127953 /nfs/dbraw/zinc/12/79/53/1128127953.db2.gz PBIOQWHIFSGTSP-SECBINFHSA-N 0 1 284.197 3.605 20 10 CHCDMN C[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000252180554 1128129824 /nfs/dbraw/zinc/12/98/24/1128129824.db2.gz PYNDCJHKCHYMQX-SUNKGSAMSA-N 0 1 267.800 3.960 20 10 CHCDMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000914785247 1128244630 /nfs/dbraw/zinc/24/46/30/1128244630.db2.gz VPPCSRGCGZZAQF-UKRRQHHQSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@@H]1CCC[C@@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000914785247 1128244632 /nfs/dbraw/zinc/24/46/32/1128244632.db2.gz VPPCSRGCGZZAQF-UKRRQHHQSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000914785247 1128244635 /nfs/dbraw/zinc/24/46/35/1128244635.db2.gz VPPCSRGCGZZAQF-UKRRQHHQSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@@H]1CC[C@]2(CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)C1 ZINC000781585509 1128569087 /nfs/dbraw/zinc/56/90/87/1128569087.db2.gz GOYDXGNFMNBJGY-KUHUBIRLSA-N 0 1 296.414 3.953 20 10 CHCDMN C[C@@H]1CC[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)C1 ZINC000781585509 1128569089 /nfs/dbraw/zinc/56/90/89/1128569089.db2.gz GOYDXGNFMNBJGY-KUHUBIRLSA-N 0 1 296.414 3.953 20 10 CHCDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2O)cc1 ZINC000155171534 1128661486 /nfs/dbraw/zinc/66/14/86/1128661486.db2.gz QBJVTNAYXWFHGA-KRWDZBQOSA-N 0 1 283.371 3.738 20 10 CHCDMN CN(Cc1ccc(Cl)s1)Cc1cc(F)ccc1O ZINC000778994374 1128674395 /nfs/dbraw/zinc/67/43/95/1128674395.db2.gz CFRKPZJWQYMFHJ-UHFFFAOYSA-N 0 1 285.771 3.878 20 10 CHCDMN Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000779010496 1128676991 /nfs/dbraw/zinc/67/69/91/1128676991.db2.gz WWWZBHDMNPNSHP-SFHVURJKSA-N 0 1 281.399 3.908 20 10 CHCDMN CCN(CC)c1ccc(CNCc2ccc(C)o2)cc1 ZINC000048327007 1128699520 /nfs/dbraw/zinc/69/95/20/1128699520.db2.gz GIELCGLUGHNVHZ-UHFFFAOYSA-N 0 1 272.392 3.724 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1[O-] ZINC000779089654 1128727148 /nfs/dbraw/zinc/72/71/48/1128727148.db2.gz VDXZVYGFVZWRIV-BYCMXARLSA-N 0 1 297.826 3.637 20 10 CHCDMN CC(C)=CCN(Cc1ccco1)Cc1ccccc1O ZINC000072952731 1117852883 /nfs/dbraw/zinc/85/28/83/1117852883.db2.gz LDRKQQUKOLAGKE-UHFFFAOYSA-N 0 1 271.360 3.954 20 10 CHCDMN C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1cc(F)ccc1[O-] ZINC000185829593 1117914090 /nfs/dbraw/zinc/91/40/90/1117914090.db2.gz PVQRICXYYLIYQF-MLGOLLRUSA-N 0 1 295.398 3.513 20 10 CHCDMN C[C@H]1CCCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000705477090 1117973352 /nfs/dbraw/zinc/97/33/52/1117973352.db2.gz LJZWTYPWCPJRRZ-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@H]1CCCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000705477090 1117973353 /nfs/dbraw/zinc/97/33/53/1117973353.db2.gz LJZWTYPWCPJRRZ-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN C[N@H+](Cc1cc(Br)ccc1O)CC1CCCC1 ZINC000211500707 1118067058 /nfs/dbraw/zinc/06/70/58/1118067058.db2.gz HAFGULNQRPIWFT-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])CC1CCCC1 ZINC000211500707 1118067061 /nfs/dbraw/zinc/06/70/61/1118067061.db2.gz HAFGULNQRPIWFT-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN C[N@H+](Cc1cc(Br)ccc1[O-])CC1CCCC1 ZINC000211500707 1118067064 /nfs/dbraw/zinc/06/70/64/1118067064.db2.gz HAFGULNQRPIWFT-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000211564861 1118074746 /nfs/dbraw/zinc/07/47/46/1118074746.db2.gz DIVBQGAHOYJBMM-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000211564861 1118074751 /nfs/dbraw/zinc/07/47/51/1118074751.db2.gz DIVBQGAHOYJBMM-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c(C)c1 ZINC000765259487 1118141120 /nfs/dbraw/zinc/14/11/20/1118141120.db2.gz FEPKLVMHPGJXLK-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000179887057 1128765344 /nfs/dbraw/zinc/76/53/44/1128765344.db2.gz KLOPKZSBIYJIAC-ZDUSSCGKSA-N 0 1 277.364 3.930 20 10 CHCDMN C[C@H]([NH2+]CC1(C2CC2)CCC1)c1cc(F)ccc1[O-] ZINC000186156618 1118198652 /nfs/dbraw/zinc/19/86/52/1118198652.db2.gz OPMXZRKDSQGKKP-NSHDSACASA-N 0 1 263.356 3.762 20 10 CHCDMN COc1ccc(CN[C@H](C)c2cnc(C)s2)cc1C ZINC000090407131 1118212115 /nfs/dbraw/zinc/21/21/15/1118212115.db2.gz CPQLLPZGLDYGTJ-LLVKDONJSA-N 0 1 276.405 3.619 20 10 CHCDMN Cc1cc(C)cc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000693172145 1118319114 /nfs/dbraw/zinc/31/91/14/1118319114.db2.gz YZPQIWARUGJHOL-UHFFFAOYSA-N 0 1 275.779 3.952 20 10 CHCDMN C[C@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707135418 1118641177 /nfs/dbraw/zinc/64/11/77/1118641177.db2.gz SITMCVRUCZPDMH-JTQLQIEISA-N 0 1 284.197 3.529 20 10 CHCDMN C[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707135418 1118641179 /nfs/dbraw/zinc/64/11/79/1118641179.db2.gz SITMCVRUCZPDMH-JTQLQIEISA-N 0 1 284.197 3.529 20 10 CHCDMN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1c([O-])cccc1Br ZINC000707138796 1118642723 /nfs/dbraw/zinc/64/27/23/1118642723.db2.gz HODGWVMYVMZYHB-GHMZBOCLSA-N 0 1 298.224 3.918 20 10 CHCDMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1c([O-])cccc1Br ZINC000707138796 1118642725 /nfs/dbraw/zinc/64/27/25/1118642725.db2.gz HODGWVMYVMZYHB-GHMZBOCLSA-N 0 1 298.224 3.918 20 10 CHCDMN CCC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000707145005 1118647476 /nfs/dbraw/zinc/64/74/76/1118647476.db2.gz DICVRVABMCCLNP-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1c([O-])cccc1Br ZINC000707146236 1118648253 /nfs/dbraw/zinc/64/82/53/1118648253.db2.gz KLNFQHYYTWAKHP-WDEREUQCSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c([O-])cccc1Br ZINC000707146236 1118648256 /nfs/dbraw/zinc/64/82/56/1118648256.db2.gz KLNFQHYYTWAKHP-WDEREUQCSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@H]1CCC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000226646791 1119255805 /nfs/dbraw/zinc/25/58/05/1119255805.db2.gz KJJDTBUTIJDDQR-RYUDHWBXSA-N 0 1 267.800 3.962 20 10 CHCDMN Cc1ccc(O)c(CN2CCc3cccc(Cl)c3C2)c1 ZINC001140623667 1119295363 /nfs/dbraw/zinc/29/53/63/1119295363.db2.gz OQIHJEJMCOSSNT-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]3C3CC3)c2c1 ZINC000728562917 1119344996 /nfs/dbraw/zinc/34/49/96/1119344996.db2.gz RIYNNONZSGSHQA-SFHVURJKSA-N 0 1 297.398 3.928 20 10 CHCDMN Cc1cnc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3C)s1 ZINC000230664067 1119413001 /nfs/dbraw/zinc/41/30/01/1119413001.db2.gz VEOXKQXTQDYYJK-PWSUYJOCSA-N 0 1 288.416 3.804 20 10 CHCDMN C[C@@H](NCc1ccn(C2CCCC2)n1)c1ccccc1O ZINC000179900402 1119792235 /nfs/dbraw/zinc/79/22/35/1119792235.db2.gz KYDOMZSYAMRVLS-CYBMUJFWSA-N 0 1 285.391 3.555 20 10 CHCDMN CCCC[N@@H+](CCOCC(C)C)Cc1ccccc1O ZINC000801594676 1128890587 /nfs/dbraw/zinc/89/05/87/1128890587.db2.gz KGTGABDRUZHESX-UHFFFAOYSA-N 0 1 279.424 3.667 20 10 CHCDMN Cc1cccc(CN(C)Cc2cc(F)c(F)c(F)c2)c1O ZINC000181011697 1120286692 /nfs/dbraw/zinc/28/66/92/1120286692.db2.gz CUKSMMUEFANAMN-UHFFFAOYSA-N 0 1 295.304 3.750 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000689880406 1120351654 /nfs/dbraw/zinc/35/16/54/1120351654.db2.gz GNYACUJBCDKFAZ-NSHDSACASA-N 0 1 271.763 3.617 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000689880406 1120351658 /nfs/dbraw/zinc/35/16/58/1120351658.db2.gz GNYACUJBCDKFAZ-NSHDSACASA-N 0 1 271.763 3.617 20 10 CHCDMN C[C@H](NCc1cscn1)c1cc2c(cc1O)CCCC2 ZINC000185246606 1120374189 /nfs/dbraw/zinc/37/41/89/1120374189.db2.gz PYUJMZCXOVCLCF-NSHDSACASA-N 0 1 288.416 3.578 20 10 CHCDMN CCCC[N@@H+](Cc1c(C)noc1C)Cc1ccccc1O ZINC000282394163 1120613068 /nfs/dbraw/zinc/61/30/68/1120613068.db2.gz HBDCXVFDXGAXMP-UHFFFAOYSA-N 0 1 288.391 3.799 20 10 CHCDMN COc1ccc(CN[C@H]2CCCc3cccnc32)cc1C ZINC000922881002 1120617265 /nfs/dbraw/zinc/61/72/65/1120617265.db2.gz YYPWBMXAEGMVOK-INIZCTEOSA-N 0 1 282.387 3.566 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1O)Cc1cc(C)ccc1O ZINC000092705038 1120964163 /nfs/dbraw/zinc/96/41/63/1120964163.db2.gz DURFEHVQVZSJCW-UHFFFAOYSA-N 0 1 285.387 3.818 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000228557413 1120970186 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CC[C@H]([NH2+]Cc1ncccc1F)c1cc(Cl)ccc1[O-] ZINC000775523194 1122638563 /nfs/dbraw/zinc/63/85/63/1122638563.db2.gz DWKKSNDFRPOEBA-ZDUSSCGKSA-N 0 1 294.757 3.821 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Cl)ccc1[O-] ZINC000775522934 1122639632 /nfs/dbraw/zinc/63/96/32/1122639632.db2.gz BYHGELQOQKIYFD-ZANVPECISA-N 0 1 279.771 3.571 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000775527537 1122644381 /nfs/dbraw/zinc/64/43/81/1122644381.db2.gz QZLQYHFIEGCUBD-PWSUYJOCSA-N 0 1 271.813 3.592 20 10 CHCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nc(C)cs2)c1 ZINC000080273402 1129080016 /nfs/dbraw/zinc/08/00/16/1129080016.db2.gz IIBXYNQPVZSJSB-MNOVXSKESA-N 0 1 292.404 3.578 20 10 CHCDMN Cc1ccc(CN(C)Cc2cc(Cl)cc(C)c2O)o1 ZINC000775642463 1122851439 /nfs/dbraw/zinc/85/14/39/1122851439.db2.gz KUXHOBYUEJRRNA-UHFFFAOYSA-N 0 1 279.767 3.887 20 10 CHCDMN COc1ccc(O)c(CN(C)Cc2ccc(Cl)s2)c1 ZINC000775645624 1122854200 /nfs/dbraw/zinc/85/42/00/1122854200.db2.gz CEMBGAMHOHBYHB-UHFFFAOYSA-N 0 1 297.807 3.748 20 10 CHCDMN CCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775651305 1122864260 /nfs/dbraw/zinc/86/42/60/1122864260.db2.gz MHDLNLQRMCZEKS-SECBINFHSA-N 0 1 259.752 3.805 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC000775689302 1122909224 /nfs/dbraw/zinc/90/92/24/1122909224.db2.gz CJUPYXUZPXEIIP-UHFFFAOYSA-N 0 1 283.774 3.951 20 10 CHCDMN Cc1cc(Cl)cc(C[N@H+]2CCC3(CCC3)C2)c1O ZINC000775701269 1122911763 /nfs/dbraw/zinc/91/17/63/1122911763.db2.gz QCDWNHSCKPLGEC-UHFFFAOYSA-N 0 1 265.784 3.730 20 10 CHCDMN CC(=O)c1cc(F)cc(C[NH2+]C(C(C)C)C(C)C)c1[O-] ZINC000776027044 1123042877 /nfs/dbraw/zinc/04/28/77/1123042877.db2.gz XJSGJYAVNQEFCP-UHFFFAOYSA-N 0 1 281.371 3.504 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1Cc2ccccc2C1 ZINC000776175054 1123102587 /nfs/dbraw/zinc/10/25/87/1123102587.db2.gz FYICMIVVEJPCFX-UHFFFAOYSA-N 0 1 287.790 3.550 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC12CCC(CC1)C2 ZINC001201794809 1123150626 /nfs/dbraw/zinc/15/06/26/1123150626.db2.gz JGRFDLSIZIAOMI-UHFFFAOYSA-N 0 1 265.784 3.716 20 10 CHCDMN CC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000850483242 1123274489 /nfs/dbraw/zinc/27/44/89/1123274489.db2.gz VLCKEIUTWODJKD-YPMHNXCESA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000850494848 1123275056 /nfs/dbraw/zinc/27/50/56/1123275056.db2.gz SXTPXMFCOHXCHT-DGCLKSJQSA-N 0 1 296.842 3.569 20 10 CHCDMN CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000850523339 1123280245 /nfs/dbraw/zinc/28/02/45/1123280245.db2.gz GRWJSSJMLZZKPN-OCCSQVGLSA-N 0 1 295.810 3.798 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000850539150 1123287804 /nfs/dbraw/zinc/28/78/04/1123287804.db2.gz BEFXVKYZAOTNCQ-NOZJJQNGSA-N 0 1 253.773 3.885 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(Cl)cc1[O-] ZINC000850534042 1123286007 /nfs/dbraw/zinc/28/60/07/1123286007.db2.gz FSZRHRKZCGTOOB-NQBHXWOUSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000850539152 1123287790 /nfs/dbraw/zinc/28/77/90/1123287790.db2.gz BEFXVKYZAOTNCQ-RNCFNFMXSA-N 0 1 253.773 3.885 20 10 CHCDMN C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc2ccccc2c1[O-] ZINC000850544935 1123289150 /nfs/dbraw/zinc/28/91/50/1123289150.db2.gz KRSZEYYESRKFOK-DZGCQCFKSA-N 0 1 299.414 3.605 20 10 CHCDMN CC[C@H]([NH2+]CC1CCC(O)CC1)c1cc(Cl)ccc1[O-] ZINC000850553700 1123290674 /nfs/dbraw/zinc/29/06/74/1123290674.db2.gz AVYGLUGQZMOACM-HGMXIMQMSA-N 0 1 297.826 3.637 20 10 CHCDMN COc1ccc(Cl)cc1CN(C)Cc1ccccc1O ZINC000109769176 1123326610 /nfs/dbraw/zinc/32/66/10/1123326610.db2.gz YCBBDYVNTFBWNC-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN C[C@H](c1ccc(F)cc1F)N(C)Cc1ccccc1O ZINC000109773824 1123326773 /nfs/dbraw/zinc/32/67/73/1123326773.db2.gz DEQVJTDEPKFVFL-LLVKDONJSA-N 0 1 277.314 3.863 20 10 CHCDMN C[C@H](NCc1c(F)cc(F)c(F)c1F)c1ccccc1O ZINC000797585734 1123396183 /nfs/dbraw/zinc/39/61/83/1123396183.db2.gz MOBJRLDBTICJIJ-QMMMGPOBSA-N 0 1 299.267 3.799 20 10 CHCDMN [O-]c1c(C[NH2+]C2CCC3(COC3)CC2)ccc2ccccc21 ZINC000895695343 1123506624 /nfs/dbraw/zinc/50/66/24/1123506624.db2.gz VDBPPTLZPRSMQQ-UHFFFAOYSA-N 0 1 297.398 3.594 20 10 CHCDMN Oc1ccccc1CN(Cc1cscn1)C1CCCC1 ZINC000113506126 1123529807 /nfs/dbraw/zinc/52/98/07/1123529807.db2.gz IIQNYSWJFHLLLR-UHFFFAOYSA-N 0 1 288.416 3.794 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000857067688 1123584226 /nfs/dbraw/zinc/58/42/26/1123584226.db2.gz DTUCCLSOSAMCLX-UHFFFAOYSA-N 0 1 293.819 3.782 20 10 CHCDMN Cc1ccc(O)c(CNCc2ncc(C(C)(C)C)s2)c1 ZINC000858239999 1123639289 /nfs/dbraw/zinc/63/92/89/1123639289.db2.gz YOFUSACIDJSQDG-UHFFFAOYSA-N 0 1 290.432 3.744 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000862239194 1123794263 /nfs/dbraw/zinc/79/42/63/1123794263.db2.gz YRSKCCXCBCZWBM-ZDUSSCGKSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]1C1CC1 ZINC000862239194 1123794265 /nfs/dbraw/zinc/79/42/65/1123794265.db2.gz YRSKCCXCBCZWBM-ZDUSSCGKSA-N 0 1 296.208 3.529 20 10 CHCDMN Cc1ccc(CNCc2c(F)cc(C)cc2F)c(O)c1 ZINC000897213035 1123846952 /nfs/dbraw/zinc/84/69/52/1123846952.db2.gz MYCJNIFSAGOHKR-UHFFFAOYSA-N 0 1 277.314 3.577 20 10 CHCDMN CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000840859959 1123862095 /nfs/dbraw/zinc/86/20/95/1123862095.db2.gz QRCUEBATYREZPY-USBNGQNGSA-N 0 1 297.826 3.900 20 10 CHCDMN COc1cc(C)c(NCc2ccc(F)c(F)c2O)cc1F ZINC000864033128 1123911308 /nfs/dbraw/zinc/91/13/08/1123911308.db2.gz ZWRHJTKJPCZAOO-UHFFFAOYSA-N 0 1 297.276 3.739 20 10 CHCDMN CCc1nc(CN[C@H](CC)c2ccc(C)cc2O)cs1 ZINC000794803616 1123952881 /nfs/dbraw/zinc/95/28/81/1123952881.db2.gz BINFMFBRGRGMKS-CQSZACIVSA-N 0 1 290.432 3.960 20 10 CHCDMN C[C@H]([NH2+]CCC1(C)CC1)c1ccc(Br)cc1[O-] ZINC000794829995 1123962682 /nfs/dbraw/zinc/96/26/82/1123962682.db2.gz XEYJUBQPKKBKLX-JTQLQIEISA-N 0 1 298.224 3.996 20 10 CHCDMN CC(C)[N@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000121320292 1124024978 /nfs/dbraw/zinc/02/49/78/1124024978.db2.gz 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/nfs/dbraw/zinc/04/35/93/1125043593.db2.gz RRAOFKJHKCJCTB-QGZVFWFLSA-N 0 1 282.387 3.679 20 10 CHCDMN Cc1ccc(CN[C@H](CF)c2ccc(F)cc2)c(O)c1 ZINC000877758526 1125073750 /nfs/dbraw/zinc/07/37/50/1125073750.db2.gz HFCOJXHNFWQPPU-OAHLLOKOSA-N 0 1 277.314 3.640 20 10 CHCDMN CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877795429 1125079534 /nfs/dbraw/zinc/07/95/34/1125079534.db2.gz KPERXHWFRBECDX-INIZCTEOSA-N 0 1 299.414 3.528 20 10 CHCDMN CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877795429 1125079543 /nfs/dbraw/zinc/07/95/43/1125079543.db2.gz KPERXHWFRBECDX-INIZCTEOSA-N 0 1 299.414 3.528 20 10 CHCDMN CSC[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000130932156 1125370606 /nfs/dbraw/zinc/37/06/06/1125370606.db2.gz JZPQYUXUILRUAC-CQSZACIVSA-N 0 1 287.428 3.873 20 10 CHCDMN Cc1ccccc1C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000799389312 1129207358 /nfs/dbraw/zinc/20/73/58/1129207358.db2.gz AINDSOKXXZLDFD-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN Cc1ccccc1C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000799389312 1129207363 /nfs/dbraw/zinc/20/73/63/1129207363.db2.gz AINDSOKXXZLDFD-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000296633512 1129223580 /nfs/dbraw/zinc/22/35/80/1129223580.db2.gz XNOSIUGAVQRCAD-OLZOCXBDSA-N 0 1 287.403 3.746 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc(F)ccc1[O-] ZINC000282671428 1129278440 /nfs/dbraw/zinc/27/84/40/1129278440.db2.gz JESPQTRCTFVDNI-LRDDRELGSA-N 0 1 293.382 3.531 20 10 CHCDMN C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000378855570 1129284151 /nfs/dbraw/zinc/28/41/51/1129284151.db2.gz JZCXVPQEEZEZFO-BDAKNGLRSA-N 0 1 290.176 3.553 20 10 CHCDMN Cc1ccc(O)c([C@H](C)NCc2ncc(Cl)s2)c1 ZINC000719392875 1129331675 /nfs/dbraw/zinc/33/16/75/1129331675.db2.gz DBXVYIVPPFBXOC-VIFPVBQESA-N 0 1 282.796 3.661 20 10 CHCDMN C[C@H]([N@@H+](C)Cc1cccc(Br)c1[O-])C1(C)CC1 ZINC000091900660 1129374088 /nfs/dbraw/zinc/37/40/88/1129374088.db2.gz IJHKYAGVPNORCZ-JTQLQIEISA-N 0 1 298.224 3.775 20 10 CHCDMN CN(C)c1ccc(CN(C)Cc2cccc(F)c2)cc1F ZINC000768159391 1129835890 /nfs/dbraw/zinc/83/58/90/1129835890.db2.gz DPECICKLEYKQCU-UHFFFAOYSA-N 0 1 290.357 3.663 20 10 CHCDMN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000381327060 1129837497 /nfs/dbraw/zinc/83/74/97/1129837497.db2.gz RLBYDOWJDMBQOD-AUTRQRHGSA-N 0 1 284.197 3.604 20 10 CHCDMN CCOc1ccc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000768263576 1129847988 /nfs/dbraw/zinc/84/79/88/1129847988.db2.gz VCHOFLNPIBZLTP-DZGCQCFKSA-N 0 1 277.408 3.801 20 10 CHCDMN CCOc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000768263576 1129847994 /nfs/dbraw/zinc/84/79/94/1129847994.db2.gz VCHOFLNPIBZLTP-DZGCQCFKSA-N 0 1 277.408 3.801 20 10 CHCDMN CN(C)c1ccc(CN2CCC[C@H]2c2ccccn2)cc1F ZINC000768354956 1129853065 /nfs/dbraw/zinc/85/30/65/1129853065.db2.gz LCPDNNNVFYKJCJ-SFHVURJKSA-N 0 1 299.393 3.624 20 10 CHCDMN CCN(CC)c1ccc(CN(C)Cc2ccoc2)cc1F ZINC000769005285 1129888614 /nfs/dbraw/zinc/88/86/14/1129888614.db2.gz QJGYNKPGZWTCKI-UHFFFAOYSA-N 0 1 290.382 3.897 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC=CCC1 ZINC000769201087 1129896585 /nfs/dbraw/zinc/89/65/85/1129896585.db2.gz QQTIZYHKEXXJLJ-HNNXBMFYSA-N 0 1 259.393 3.961 20 10 CHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC=CCC1 ZINC000769201087 1129896588 /nfs/dbraw/zinc/89/65/88/1129896588.db2.gz QQTIZYHKEXXJLJ-HNNXBMFYSA-N 0 1 259.393 3.961 20 10 CHCDMN CC[C@@H]([NH2+]CCCOC(F)F)c1cc(Cl)ccc1[O-] ZINC000800989730 1129902939 /nfs/dbraw/zinc/90/29/39/1129902939.db2.gz ITZSNFUXBAHZLM-LLVKDONJSA-N 0 1 293.741 3.716 20 10 CHCDMN CCN(CC)c1ccc(CN(C)Cc2ccc[nH]2)cc1F ZINC000769542324 1129914597 /nfs/dbraw/zinc/91/45/97/1129914597.db2.gz GBSCDGHQWFJWNW-UHFFFAOYSA-N 0 1 289.398 3.632 20 10 CHCDMN C[C@@H]([N@@H+](C)Cc1cc(Br)ccc1[O-])C1(C)CC1 ZINC000770288131 1129943996 /nfs/dbraw/zinc/94/39/96/1129943996.db2.gz FWQKUHNNBIJGHU-SNVBAGLBSA-N 0 1 298.224 3.775 20 10 CHCDMN CN(Cc1ccoc1)Cc1ccc(N2CCCCC2)cc1 ZINC000771935399 1129996287 /nfs/dbraw/zinc/99/62/87/1129996287.db2.gz RDGVURLHIQXLMQ-UHFFFAOYSA-N 0 1 284.403 3.902 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1cncs1 ZINC000903312138 1130151489 /nfs/dbraw/zinc/15/14/89/1130151489.db2.gz SORDFAGHZXGCKT-RKDXNWHRSA-N 0 1 282.796 3.914 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1cc(Cl)ccc1[O-] ZINC000903382836 1130169012 /nfs/dbraw/zinc/16/90/12/1130169012.db2.gz JNOJYQNMXKXHNQ-XHDPSFHLSA-N 0 1 295.810 3.798 20 10 CHCDMN Cc1cc(C)nc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000788452255 1130187249 /nfs/dbraw/zinc/18/72/49/1130187249.db2.gz WVGOBTFBKDZJCT-UHFFFAOYSA-N 0 1 298.173 3.718 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CC=CCC1 ZINC000753575584 1130218365 /nfs/dbraw/zinc/21/83/65/1130218365.db2.gz HWHJMVDFCVMSOX-LBPRGKRZSA-N 0 1 265.784 3.834 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CC=CCC1 ZINC000753575584 1130218371 /nfs/dbraw/zinc/21/83/71/1130218371.db2.gz HWHJMVDFCVMSOX-LBPRGKRZSA-N 0 1 265.784 3.834 20 10 CHCDMN CC(C)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789944677 1130282731 /nfs/dbraw/zinc/28/27/31/1130282731.db2.gz VYSOCIMBUYDFFX-UHFFFAOYSA-N 0 1 289.306 3.613 20 10 CHCDMN C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])O1 ZINC000827251703 1130530182 /nfs/dbraw/zinc/53/01/82/1130530182.db2.gz LGFNZJHJDUMGJS-CZUORRHYSA-N 0 1 285.387 3.593 20 10 CHCDMN CC(C)(C)c1ccc(CN2CCc3cccc(O)c3C2)[nH]1 ZINC001137379596 1130543636 /nfs/dbraw/zinc/54/36/36/1130543636.db2.gz XKAOLRKBFIBTPO-UHFFFAOYSA-N 0 1 284.403 3.576 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513832 1130619576 /nfs/dbraw/zinc/61/95/76/1130619576.db2.gz SBOHIQCVSZYRNH-HNNXBMFYSA-N 0 1 277.795 3.810 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1C1CC1 ZINC000811514007 1130620430 /nfs/dbraw/zinc/62/04/30/1130620430.db2.gz ZNEOGHGPDRXAQA-AWEZNQCLSA-N 0 1 265.784 3.666 20 10 CHCDMN Cc1ccc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000759185530 1130642111 /nfs/dbraw/zinc/64/21/11/1130642111.db2.gz MXATXJKWIWKEMP-UHFFFAOYSA-N 0 1 290.794 3.774 20 10 CHCDMN CC[C@@H]([NH2+]CCCCF)c1cc(Cl)ccc1[O-] ZINC000812735373 1130710176 /nfs/dbraw/zinc/71/01/76/1130710176.db2.gz CJMPOGOFJHUEBH-GFCCVEGCSA-N 0 1 259.752 3.836 20 10 CHCDMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1ccc(F)cc1O ZINC000812739503 1130710654 /nfs/dbraw/zinc/71/06/54/1130710654.db2.gz SGFNMSTUMUAZTP-LLVKDONJSA-N 0 1 286.350 3.978 20 10 CHCDMN CCC1([NH2+]Cc2ccc(Br)cc2[O-])CCC1 ZINC000691425736 1130711464 /nfs/dbraw/zinc/71/14/64/1130711464.db2.gz DVCOKGKKGBSWJA-UHFFFAOYSA-N 0 1 284.197 3.577 20 10 CHCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(Br)c1[O-] ZINC001235295663 1130730797 /nfs/dbraw/zinc/73/07/97/1130730797.db2.gz ZDUFBPHQLPIJFH-MRVPVSSYSA-N 0 1 290.176 3.524 20 10 CHCDMN C[N@@H+](Cc1cc(F)cc(Br)c1[O-])C(C)(C)C ZINC001235300561 1130732919 /nfs/dbraw/zinc/73/29/19/1130732919.db2.gz AEUXYHSVJHSATL-UHFFFAOYSA-N 0 1 290.176 3.524 20 10 CHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000781899333 1130747336 /nfs/dbraw/zinc/74/73/36/1130747336.db2.gz IPOIFQBIRYHDBJ-JTQLQIEISA-N 0 1 298.224 3.695 20 10 CHCDMN CC(C)c1nc(CSc2ncc(C(C)(C)C)s2)n[nH]1 ZINC000813572144 1130776351 /nfs/dbraw/zinc/77/63/51/1130776351.db2.gz KSEAOAUWFOOZSV-UHFFFAOYSA-N 0 1 296.465 3.974 20 10 CHCDMN CC[C@H]1CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000814178974 1130834173 /nfs/dbraw/zinc/83/41/73/1130834173.db2.gz LEWIDJDWILYUTM-JTQLQIEISA-N 0 1 260.164 3.683 20 10 CHCDMN C[C@]12CC[N@H+](Cc3cc(Cl)ccc3[O-])C[C@H]1C2(F)F ZINC000814169645 1130837987 /nfs/dbraw/zinc/83/79/87/1130837987.db2.gz LKIIQUCVHXQLIT-OLZOCXBDSA-N 0 1 287.737 3.523 20 10 CHCDMN C[C@]12CC[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@H]1C2(F)F ZINC000814169645 1130837995 /nfs/dbraw/zinc/83/79/95/1130837995.db2.gz LKIIQUCVHXQLIT-OLZOCXBDSA-N 0 1 287.737 3.523 20 10 CHCDMN CC[C@H]([NH2+]CC1(O)CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775500094 1130878826 /nfs/dbraw/zinc/87/88/26/1130878826.db2.gz OGPCHTSHONKLPY-AWEZNQCLSA-N 0 1 297.826 3.782 20 10 CHCDMN Cc1occc1CN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000815022864 1130950846 /nfs/dbraw/zinc/95/08/46/1130950846.db2.gz BHFUTWFQVMUNAC-UHFFFAOYSA-N 0 1 272.392 3.594 20 10 CHCDMN CCC[N@@H+](Cc1ccc(CC)cn1)Cc1ccccc1O ZINC000815055415 1130952074 /nfs/dbraw/zinc/95/20/74/1130952074.db2.gz ZSVRYQWIKPAMFR-UHFFFAOYSA-N 0 1 284.403 3.762 20 10 CHCDMN Cc1csc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)n1 ZINC000815088072 1130957720 /nfs/dbraw/zinc/95/77/20/1130957720.db2.gz ALGIOLZVTBTWAK-CYBMUJFWSA-N 0 1 289.448 3.677 20 10 CHCDMN CC1=C[C@@H](C)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000797605465 1130999173 /nfs/dbraw/zinc/99/91/73/1130999173.db2.gz RNOBGMVDKBCXEI-SECBINFHSA-N 0 1 269.747 3.583 20 10 CHCDMN CCc1ccc(CN2CCC[C@H]2c2cc(C)on2)c(O)c1 ZINC001236784627 1131007507 /nfs/dbraw/zinc/00/75/07/1131007507.db2.gz XIVDQPHISNTCBP-INIZCTEOSA-N 0 1 286.375 3.588 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC3(CCCC3)C2)c(Cl)c1 ZINC001236799273 1131009745 /nfs/dbraw/zinc/00/97/45/1131009745.db2.gz LPSCBFXMWCJHJG-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC3(CCCC3)C2)c(Cl)c1 ZINC001236799273 1131009749 /nfs/dbraw/zinc/00/97/49/1131009749.db2.gz LPSCBFXMWCJHJG-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN COc1cc([O-])c(C[NH+]2CCC(C(C)C)CC2)c(Cl)c1 ZINC001236802608 1131010640 /nfs/dbraw/zinc/01/06/40/1131010640.db2.gz JOJUYYIVEDSZJQ-UHFFFAOYSA-N 0 1 297.826 3.922 20 10 CHCDMN COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C)c([O-])c1Cl ZINC001236811077 1131011826 /nfs/dbraw/zinc/01/18/26/1131011826.db2.gz GJCHJVANPLLCGQ-QWRGUYRKSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1ccc(C[N@H+]2CCCC3(CCC3)C2)c([O-])c1Cl ZINC001236810857 1131011898 /nfs/dbraw/zinc/01/18/98/1131011898.db2.gz YOZHUGXEGBFMFY-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN COc1cc([O-])c(C[NH+]2CC3(C2)CCCCC3)c(Cl)c1 ZINC001236807762 1131012696 /nfs/dbraw/zinc/01/26/96/1131012696.db2.gz ITSIESGJYZQEQN-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)c([O-])c1Cl ZINC001236813841 1131014074 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ZINC001236836173 1131018680 /nfs/dbraw/zinc/01/86/80/1131018680.db2.gz YYGLUJTVTGDBFW-UHFFFAOYSA-N 0 1 299.414 3.935 20 10 CHCDMN COCC[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236841627 1131022069 /nfs/dbraw/zinc/02/20/69/1131022069.db2.gz MTLCVYAONOJNHF-SFHVURJKSA-N 0 1 299.414 3.936 20 10 CHCDMN COCC[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236841627 1131022076 /nfs/dbraw/zinc/02/20/76/1131022076.db2.gz MTLCVYAONOJNHF-SFHVURJKSA-N 0 1 299.414 3.936 20 10 CHCDMN CCOc1ccc(C[N@H+]2CCC3(C2)CCCCC3)c(O)c1 ZINC001237047266 1131040154 /nfs/dbraw/zinc/04/01/54/1131040154.db2.gz KQFFSFDWLRNAIQ-UHFFFAOYSA-N 0 1 289.419 3.947 20 10 CHCDMN CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC001237049447 1131040398 /nfs/dbraw/zinc/04/03/98/1131040398.db2.gz FUBSUEJEONLPCZ-UONOGXRCSA-N 0 1 277.408 3.659 20 10 CHCDMN CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC001237049447 1131040405 /nfs/dbraw/zinc/04/04/05/1131040405.db2.gz FUBSUEJEONLPCZ-UONOGXRCSA-N 0 1 277.408 3.659 20 10 CHCDMN CC(C)c1ccc(C[N@@H+](C(C)C)C2CCOCC2)c([O-])c1 ZINC001237050895 1131040423 /nfs/dbraw/zinc/04/04/23/1131040423.db2.gz FQMUFWGCMWBBKK-UHFFFAOYSA-N 0 1 291.435 3.905 20 10 CHCDMN CC(C)c1ccc(C[N@H+](C(C)C)C2CCOCC2)c([O-])c1 ZINC001237050895 1131040429 /nfs/dbraw/zinc/04/04/29/1131040429.db2.gz FQMUFWGCMWBBKK-UHFFFAOYSA-N 0 1 291.435 3.905 20 10 CHCDMN CC(C)c1ccc(CN2CCC[C@@H]2c2ncccn2)c(O)c1 ZINC001237051534 1131040814 /nfs/dbraw/zinc/04/08/14/1131040814.db2.gz MUYITKSMFYBNIO-MRXNPFEDSA-N 0 1 297.402 3.643 20 10 CHCDMN CCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816486343 1131098075 /nfs/dbraw/zinc/09/80/75/1131098075.db2.gz YTIPPHVXVCVCIX-UHFFFAOYSA-N 0 1 257.736 3.559 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1C ZINC000816520445 1131102266 /nfs/dbraw/zinc/10/22/66/1131102266.db2.gz PRZBPLSCZLNKTC-CHWSQXEVSA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1C ZINC000816520445 1131102270 /nfs/dbraw/zinc/10/22/70/1131102270.db2.gz PRZBPLSCZLNKTC-CHWSQXEVSA-N 0 1 255.361 3.776 20 10 CHCDMN CC[N@@H+](Cc1ccoc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816500721 1131102459 /nfs/dbraw/zinc/10/24/59/1131102459.db2.gz FCASEOHXHJSDSK-UHFFFAOYSA-N 0 1 283.730 3.800 20 10 CHCDMN Cc1cccc(O)c1CN(C)Cc1ccc(F)cc1F ZINC001237491671 1131103438 /nfs/dbraw/zinc/10/34/38/1131103438.db2.gz MFIQIABROGJVEZ-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN CC[N@@H+](Cc1ccc2ccccc2c1O)C1CCC1 ZINC000816514222 1131103847 /nfs/dbraw/zinc/10/38/47/1131103847.db2.gz QCTRQVDXUGTNAY-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])C1CCC1 ZINC000816514222 1131103848 /nfs/dbraw/zinc/10/38/48/1131103848.db2.gz QCTRQVDXUGTNAY-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])C1CCC1 ZINC000816514222 1131103853 /nfs/dbraw/zinc/10/38/53/1131103853.db2.gz QCTRQVDXUGTNAY-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCCCC1 ZINC000816536815 1131105593 /nfs/dbraw/zinc/10/55/93/1131105593.db2.gz KPHCLKSVPUYORH-HNNXBMFYSA-N 0 1 298.430 3.509 20 10 CHCDMN [O-]c1c(C[NH2+]Cc2ccc(Cl)nc2)ccc2ccccc21 ZINC000816536455 1131106063 /nfs/dbraw/zinc/10/60/63/1131106063.db2.gz YAKOTAXITBIESV-UHFFFAOYSA-N 0 1 298.773 3.884 20 10 CHCDMN CC[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCCC1 ZINC000816534442 1131106090 /nfs/dbraw/zinc/10/60/90/1131106090.db2.gz IWHXPZCVIYFYHP-QGZVFWFLSA-N 0 1 298.430 3.509 20 10 CHCDMN CC(C)[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552256 1131107192 /nfs/dbraw/zinc/10/71/92/1131107192.db2.gz GLLWNPRJJSERBX-ZDUSSCGKSA-N 0 1 257.377 3.927 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CCS1 ZINC000816591479 1131107963 /nfs/dbraw/zinc/10/79/63/1131107963.db2.gz GBJFMJMAATVXCP-ZDUSSCGKSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CCS1 ZINC000816591479 1131107966 /nfs/dbraw/zinc/10/79/66/1131107966.db2.gz GBJFMJMAATVXCP-ZDUSSCGKSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CCS1 ZINC000816591479 1131107969 /nfs/dbraw/zinc/10/79/69/1131107969.db2.gz GBJFMJMAATVXCP-ZDUSSCGKSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCC[C@H]1O ZINC000816555724 1131111333 /nfs/dbraw/zinc/11/13/33/1131111333.db2.gz OGKFACAKEMINFT-MJGOQNOKSA-N 0 1 299.414 3.576 20 10 CHCDMN C[N@H+](CCc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816569058 1131112519 /nfs/dbraw/zinc/11/25/19/1131112519.db2.gz YHIWKKQHYZWRGQ-UHFFFAOYSA-N 0 1 292.382 3.615 20 10 CHCDMN C[N@@H+](CCc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816569058 1131112522 /nfs/dbraw/zinc/11/25/22/1131112522.db2.gz YHIWKKQHYZWRGQ-UHFFFAOYSA-N 0 1 292.382 3.615 20 10 CHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CC1CC1)C1CCC1 ZINC000816597216 1131113830 /nfs/dbraw/zinc/11/38/30/1131113830.db2.gz JOJMOPXNBCUWLX-UHFFFAOYSA-N 0 1 283.774 3.949 20 10 CHCDMN CC1=C[C@H](C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816597639 1131114129 /nfs/dbraw/zinc/11/41/29/1131114129.db2.gz AAPUCSKLQYTZTB-VIFPVBQESA-N 0 1 269.747 3.583 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](CC1CC1)C1CC1 ZINC001237623211 1131119711 /nfs/dbraw/zinc/11/97/11/1131119711.db2.gz KEEMAUWDAVAUJO-UHFFFAOYSA-N 0 1 269.747 3.559 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001237798513 1131140786 /nfs/dbraw/zinc/14/07/86/1131140786.db2.gz HKZRUYXASCQISO-PHIMTYICSA-N 0 1 283.774 3.807 20 10 CHCDMN C[C@H]1c2cccn2CCN1Cc1cc(F)cc(Cl)c1O ZINC001237800806 1131140815 /nfs/dbraw/zinc/14/08/15/1131140815.db2.gz BUGBOIDXKUKFBK-JTQLQIEISA-N 0 1 294.757 3.563 20 10 CHCDMN C[C@@H]1c2cccn2CCN1Cc1cc(F)cc(Cl)c1O ZINC001237800809 1131140926 /nfs/dbraw/zinc/14/09/26/1131140926.db2.gz BUGBOIDXKUKFBK-SNVBAGLBSA-N 0 1 294.757 3.563 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799068 1131141222 /nfs/dbraw/zinc/14/12/22/1131141222.db2.gz NRDVMBLDYHWOKP-LLVKDONJSA-N 0 1 257.736 3.559 20 10 CHCDMN OCC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000817419366 1131161417 /nfs/dbraw/zinc/16/14/17/1131161417.db2.gz USDAZABOGSQUDC-HNNXBMFYSA-N 0 1 299.414 3.530 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC[C@H](CCO)CC2)ccc2ccccc21 ZINC000817419366 1131161419 /nfs/dbraw/zinc/16/14/19/1131161419.db2.gz USDAZABOGSQUDC-HNNXBMFYSA-N 0 1 299.414 3.530 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCC[C@H](CCO)CC2)ccc2ccccc21 ZINC000817419366 1131161423 /nfs/dbraw/zinc/16/14/23/1131161423.db2.gz USDAZABOGSQUDC-HNNXBMFYSA-N 0 1 299.414 3.530 20 10 CHCDMN Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC001238065822 1131166174 /nfs/dbraw/zinc/16/61/74/1131166174.db2.gz BJUHSKKXESYRQB-SWLSCSKDSA-N 0 1 263.356 3.604 20 10 CHCDMN C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc2ccccc2c1[O-] ZINC000817585269 1131173254 /nfs/dbraw/zinc/17/32/54/1131173254.db2.gz DWNHKLUKERTABC-CQSZACIVSA-N 0 1 299.414 3.891 20 10 CHCDMN Cc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc(C)n1 ZINC000817590448 1131175502 /nfs/dbraw/zinc/17/55/02/1131175502.db2.gz XJHMSULSJDYYJF-GFCCVEGCSA-N 0 1 290.794 3.908 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CCCC2(CCCC2)C1 ZINC001137832950 1131420621 /nfs/dbraw/zinc/42/06/21/1131420621.db2.gz NGESOHISOQDZBS-UHFFFAOYSA-N 0 1 263.356 3.688 20 10 CHCDMN CC[C@H](C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000824597668 1131475999 /nfs/dbraw/zinc/47/59/99/1131475999.db2.gz WEWVXVCKGXWSAG-SUMWQHHRSA-N 0 1 287.403 3.696 20 10 CHCDMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(N2CCCCC2)cc1 ZINC001138215733 1131478131 /nfs/dbraw/zinc/47/81/31/1131478131.db2.gz RRPHEELARQYUCR-GDBMZVCRSA-N 0 1 276.399 3.609 20 10 CHCDMN CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000824798545 1131485252 /nfs/dbraw/zinc/48/52/52/1131485252.db2.gz DRWMZJHQDZJLMG-BLLLJJGKSA-N 0 1 297.826 3.586 20 10 CHCDMN COc1cccc(CN2CC3(CCC3)[C@@H]2c2ccco2)c1O ZINC000825103432 1131496281 /nfs/dbraw/zinc/49/62/81/1131496281.db2.gz FGEBBNMPTWMNBS-KRWDZBQOSA-N 0 1 299.370 3.721 20 10 CHCDMN Oc1cccc(Cl)c1CNc1ccc2c(n1)CCC2 ZINC000825124696 1131500241 /nfs/dbraw/zinc/50/02/41/1131500241.db2.gz WNJPHWVKZOTPDW-UHFFFAOYSA-N 0 1 274.751 3.541 20 10 CHCDMN COCCC(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825514934 1131514299 /nfs/dbraw/zinc/51/42/99/1131514299.db2.gz UKCYOSRQWYJBEX-UHFFFAOYSA-N 0 1 285.815 3.506 20 10 CHCDMN Oc1ccccc1CN1CCc2cc(Cl)ccc2C1 ZINC000792179606 1131624498 /nfs/dbraw/zinc/62/44/98/1131624498.db2.gz IDIVUIMVGOPQRJ-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN CC[N@H+](Cc1ccccc1F)Cc1c(F)ccc(F)c1[O-] ZINC001139686260 1131629222 /nfs/dbraw/zinc/62/92/22/1131629222.db2.gz ROQFKSCBDCXRFI-UHFFFAOYSA-N 0 1 295.304 3.832 20 10 CHCDMN CC[N@@H+](Cc1ccccc1F)Cc1c(F)ccc(F)c1[O-] ZINC001139686260 1131629224 /nfs/dbraw/zinc/62/92/24/1131629224.db2.gz ROQFKSCBDCXRFI-UHFFFAOYSA-N 0 1 295.304 3.832 20 10 CHCDMN C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(F)ccc1O ZINC001140055200 1131659868 /nfs/dbraw/zinc/65/98/68/1131659868.db2.gz NNHGSUIMVDWDJP-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN Cc1ccc(CNCc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000845928144 1131671099 /nfs/dbraw/zinc/67/10/99/1131671099.db2.gz ADZFSNYJSDVTOZ-UHFFFAOYSA-N 0 1 287.790 3.873 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC12CCCC2 ZINC000845998281 1131677018 /nfs/dbraw/zinc/67/70/18/1131677018.db2.gz BEBTWYZKSYHCTE-UHFFFAOYSA-N 0 1 251.757 3.564 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1scnc1C1CC1 ZINC000846055096 1131685523 /nfs/dbraw/zinc/68/55/23/1131685523.db2.gz IQGYUNLEMJUVSH-UHFFFAOYSA-N 0 1 294.807 3.669 20 10 CHCDMN C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc2ccccc2c1[O-] ZINC000846209131 1131695773 /nfs/dbraw/zinc/69/57/73/1131695773.db2.gz AFCFLMIENHMPCB-CQSZACIVSA-N 0 1 299.414 3.749 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)COCC1CC1)c1cc(Cl)ccc1[O-] ZINC000846205527 1131696083 /nfs/dbraw/zinc/69/60/83/1131696083.db2.gz QFGJIBWYSSIKHO-ABAIWWIYSA-N 0 1 297.826 3.901 20 10 CHCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)CCC1(F)F ZINC001140338116 1131702697 /nfs/dbraw/zinc/70/26/97/1131702697.db2.gz VSHJFYZUDSVVPH-UHFFFAOYSA-N 0 1 289.753 3.913 20 10 CHCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)CCC1(F)F ZINC001140338116 1131702700 /nfs/dbraw/zinc/70/27/00/1131702700.db2.gz VSHJFYZUDSVVPH-UHFFFAOYSA-N 0 1 289.753 3.913 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCC2(CCC2)C1 ZINC001140342807 1131704757 /nfs/dbraw/zinc/70/47/57/1131704757.db2.gz ZAMIRNBQGHBGMG-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCC2(CCC2)C1 ZINC001140342807 1131704760 /nfs/dbraw/zinc/70/47/60/1131704760.db2.gz ZAMIRNBQGHBGMG-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000834876783 1131715828 /nfs/dbraw/zinc/71/58/28/1131715828.db2.gz OTPWQXBOEGBKEL-GXFFZTMASA-N 0 1 285.815 3.636 20 10 CHCDMN CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCO1 ZINC000834884620 1131717462 /nfs/dbraw/zinc/71/74/62/1131717462.db2.gz AAUOMQPHOTWHSC-DCGLDWPTSA-N 0 1 295.398 3.633 20 10 CHCDMN CC[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000834885116 1131718868 /nfs/dbraw/zinc/71/88/68/1131718868.db2.gz SZLGMIIZZFEAEF-UHFFFAOYSA-N 0 1 292.382 3.963 20 10 CHCDMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000834885116 1131718870 /nfs/dbraw/zinc/71/88/70/1131718870.db2.gz SZLGMIIZZFEAEF-UHFFFAOYSA-N 0 1 292.382 3.963 20 10 CHCDMN C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000834906459 1131728460 /nfs/dbraw/zinc/72/84/60/1131728460.db2.gz WVTHKGQTZYJSEH-NEPJUHHUSA-N 0 1 283.799 3.513 20 10 CHCDMN C[N@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1[O-] ZINC001140461029 1131748000 /nfs/dbraw/zinc/74/80/00/1131748000.db2.gz BURVVIVASIGAKI-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1[O-] ZINC001140461029 1131748006 /nfs/dbraw/zinc/74/80/06/1131748006.db2.gz BURVVIVASIGAKI-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140463108 1131748977 /nfs/dbraw/zinc/74/89/77/1131748977.db2.gz SOMMIQVHWMQHPV-TXEJJXNPSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140463108 1131748980 /nfs/dbraw/zinc/74/89/80/1131748980.db2.gz SOMMIQVHWMQHPV-TXEJJXNPSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001140465430 1131750307 /nfs/dbraw/zinc/75/03/07/1131750307.db2.gz NAGBPWHMYKRBBB-SMDDNHRTSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001140465430 1131750313 /nfs/dbraw/zinc/75/03/13/1131750313.db2.gz NAGBPWHMYKRBBB-SMDDNHRTSA-N 0 1 265.784 3.810 20 10 CHCDMN Cc1ccccc1C[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140465927 1131750688 /nfs/dbraw/zinc/75/06/88/1131750688.db2.gz WHHDMLZIUVBBJQ-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1ccccc1C[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140465927 1131750691 /nfs/dbraw/zinc/75/06/91/1131750691.db2.gz WHHDMLZIUVBBJQ-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCc2ccccc2C1 ZINC001140583819 1131806981 /nfs/dbraw/zinc/80/69/81/1131806981.db2.gz UPBXVDMJGACDIE-UHFFFAOYSA-N 0 1 289.325 3.619 20 10 CHCDMN CC[N@@H+](Cc1ccc(F)cc1)Cc1c([O-])cc(F)cc1F ZINC001140583978 1131809208 /nfs/dbraw/zinc/80/92/08/1131809208.db2.gz AIRSKAMEEMXXRM-UHFFFAOYSA-N 0 1 295.304 3.832 20 10 CHCDMN Cc1ccc(CN(C)Cc2ccccc2Cl)c(O)c1 ZINC001140949716 1131968801 /nfs/dbraw/zinc/96/88/01/1131968801.db2.gz JHKVMJOSSUKKRT-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc2ccccc2c1[O-] ZINC000715220331 1131980635 /nfs/dbraw/zinc/98/06/35/1131980635.db2.gz AKTUDJAGSGGHIL-IAQYHMDHSA-N 0 1 253.345 3.749 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc2ccccc2c1[O-] ZINC000715220330 1131981664 /nfs/dbraw/zinc/98/16/64/1131981664.db2.gz AKTUDJAGSGGHIL-ABAIWWIYSA-N 0 1 253.345 3.749 20 10 CHCDMN Cc1ccncc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001141035157 1131990865 /nfs/dbraw/zinc/99/08/65/1131990865.db2.gz JQPYHBAATGJJGK-UHFFFAOYSA-N 0 1 295.430 3.622 20 10 CHCDMN Oc1ccc(Cl)c(F)c1CN1CC(CC(F)(F)F)C1 ZINC000839139053 1132182915 /nfs/dbraw/zinc/18/29/15/1132182915.db2.gz XDSOUVWSFPUKAO-UHFFFAOYSA-N 0 1 297.679 3.569 20 10 CHCDMN C[N@@H+](Cc1c(O)ccc2ccncc21)C1CC(C)(C)C1 ZINC000840164829 1132247968 /nfs/dbraw/zinc/24/79/68/1132247968.db2.gz VXVLDFXITOPNKU-UHFFFAOYSA-N 0 1 270.376 3.561 20 10 CHCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C1CC(C)(C)C1 ZINC000840164829 1132247971 /nfs/dbraw/zinc/24/79/71/1132247971.db2.gz VXVLDFXITOPNKU-UHFFFAOYSA-N 0 1 270.376 3.561 20 10 CHCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C1CC(C)(C)C1 ZINC000840164829 1132247974 /nfs/dbraw/zinc/24/79/74/1132247974.db2.gz VXVLDFXITOPNKU-UHFFFAOYSA-N 0 1 270.376 3.561 20 10 CHCDMN C[C@@H]1CC(C)(C)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000840182634 1132248773 /nfs/dbraw/zinc/24/87/73/1132248773.db2.gz HVMNPYBEFWJPGV-GFCCVEGCSA-N 0 1 270.376 3.561 20 10 CHCDMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000840182634 1132248779 /nfs/dbraw/zinc/24/87/79/1132248779.db2.gz HVMNPYBEFWJPGV-GFCCVEGCSA-N 0 1 270.376 3.561 20 10 CHCDMN CCO[C@H]1C[C@@H]([NH2+][C@H](CC)c2cc(Cl)ccc2[O-])C1 ZINC000840764694 1132284460 /nfs/dbraw/zinc/28/44/60/1132284460.db2.gz YBLKXNMEQURLDY-MBNYWOFBSA-N 0 1 283.799 3.654 20 10 CHCDMN COC1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000840791673 1132287701 /nfs/dbraw/zinc/28/77/01/1132287701.db2.gz BPIWHNLQPCGTMD-QFWMXSHPSA-N 0 1 283.799 3.654 20 10 CHCDMN CCn1ccc(CN[C@@H](C)c2ccc3ccccc3c2O)n1 ZINC000840841531 1132292266 /nfs/dbraw/zinc/29/22/66/1132292266.db2.gz VMMSMVXASXUPCJ-ZDUSSCGKSA-N 0 1 295.386 3.613 20 10 CHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@H](CO)C2)c1[O-] ZINC000840893376 1132305837 /nfs/dbraw/zinc/30/58/37/1132305837.db2.gz GNAIOVYMHIKOEV-OBJOEFQTSA-N 0 1 297.826 3.556 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCNc2ccccc2)c(Cl)c1 ZINC000840906370 1132308079 /nfs/dbraw/zinc/30/80/79/1132308079.db2.gz XPRGYGALFFCZBT-UHFFFAOYSA-N 0 1 290.794 3.556 20 10 CHCDMN Cc1csc([C@@H](C)NCc2ccc(N(C)C)cc2C)n1 ZINC000840931542 1132309821 /nfs/dbraw/zinc/30/98/21/1132309821.db2.gz HPOZEVMWRXMPOC-CYBMUJFWSA-N 0 1 289.448 3.677 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCO[C@H](C3CCC3)C2)ccc2ccccc21 ZINC000840954158 1132313415 /nfs/dbraw/zinc/31/34/15/1132313415.db2.gz HTRKNQITUKOBMV-SFHVURJKSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CCO[C@H](C3CCC3)C2)ccc2ccccc21 ZINC000840954158 1132313423 /nfs/dbraw/zinc/31/34/23/1132313423.db2.gz HTRKNQITUKOBMV-SFHVURJKSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000840954737 1132313816 /nfs/dbraw/zinc/31/38/16/1132313816.db2.gz NHZKYRDDLIOLFL-UHFFFAOYSA-N 0 1 297.851 3.907 20 10 CHCDMN COCC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231588118 1132318099 /nfs/dbraw/zinc/31/80/99/1132318099.db2.gz IQJCLAKTGSTGEW-INIZCTEOSA-N 0 1 299.414 3.936 20 10 CHCDMN COCC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231588118 1132318105 /nfs/dbraw/zinc/31/81/05/1132318105.db2.gz IQJCLAKTGSTGEW-INIZCTEOSA-N 0 1 299.414 3.936 20 10 CHCDMN Cc1cc(C)c(CN(C)Cc2cnc(Cl)s2)c(O)c1 ZINC001231842988 1132375666 /nfs/dbraw/zinc/37/56/66/1132375666.db2.gz RFUMFISOTUNFEV-UHFFFAOYSA-N 0 1 296.823 3.751 20 10 CHCDMN Cc1cc(C)c(C[N@H+]2CCC[C@@H]2c2nccs2)c(O)c1 ZINC001231846872 1132377762 /nfs/dbraw/zinc/37/77/62/1132377762.db2.gz RQRWRTCVZPQDHJ-CQSZACIVSA-N 0 1 288.416 3.803 20 10 CHCDMN Cc1cc(C)c(CN2CCC[C@@H]2c2nccs2)c(O)c1 ZINC001231846872 1132377772 /nfs/dbraw/zinc/37/77/72/1132377772.db2.gz RQRWRTCVZPQDHJ-CQSZACIVSA-N 0 1 288.416 3.803 20 10 CHCDMN CCC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C1CCOCC1 ZINC001231870268 1132382861 /nfs/dbraw/zinc/38/28/61/1132382861.db2.gz QUUIAHHZTFQNSI-UHFFFAOYSA-N 0 1 297.826 3.745 20 10 CHCDMN CCC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C1CCOCC1 ZINC001231870268 1132382870 /nfs/dbraw/zinc/38/28/70/1132382870.db2.gz QUUIAHHZTFQNSI-UHFFFAOYSA-N 0 1 297.826 3.745 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2C[C@H](C)CC23CC3)cc1Cl ZINC001231869948 1132384830 /nfs/dbraw/zinc/38/48/30/1132384830.db2.gz BQBSYCFDGBKEQR-SNVBAGLBSA-N 0 1 265.784 3.728 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)CC23CC3)cc1Cl ZINC001231869948 1132384833 /nfs/dbraw/zinc/38/48/33/1132384833.db2.gz BQBSYCFDGBKEQR-SNVBAGLBSA-N 0 1 265.784 3.728 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)CC23CC3)cc1Cl ZINC001231869948 1132384841 /nfs/dbraw/zinc/38/48/41/1132384841.db2.gz BQBSYCFDGBKEQR-SNVBAGLBSA-N 0 1 265.784 3.728 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1Cl ZINC001231867990 1132385364 /nfs/dbraw/zinc/38/53/64/1132385364.db2.gz OZVPETLKYDXMCH-CHWSQXEVSA-N 0 1 279.811 3.976 20 10 CHCDMN COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841743034 1132388026 /nfs/dbraw/zinc/38/80/26/1132388026.db2.gz BOQYKROFVCNABJ-LLVKDONJSA-N 0 1 291.778 3.905 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000841743134 1132388645 /nfs/dbraw/zinc/38/86/45/1132388645.db2.gz CTYYDKACWIMJOF-QWRGUYRKSA-N 0 1 276.767 3.852 20 10 CHCDMN [O-]c1c(C[NH+]2CC3(CCC3)C2)ccc2ccccc21 ZINC001231879590 1132388923 /nfs/dbraw/zinc/38/89/23/1132388923.db2.gz JKIYASIJUKHMEV-UHFFFAOYSA-N 0 1 253.345 3.531 20 10 CHCDMN CCC[N@H+](Cc1ccc2ccccc2c1[O-])C1CCOCC1 ZINC001231883333 1132389114 /nfs/dbraw/zinc/38/91/14/1132389114.db2.gz OQPRRMZDJNHZHF-UHFFFAOYSA-N 0 1 299.414 3.936 20 10 CHCDMN CCC[N@@H+](Cc1ccc2ccccc2c1[O-])C1CCOCC1 ZINC001231883333 1132389122 /nfs/dbraw/zinc/38/91/22/1132389122.db2.gz OQPRRMZDJNHZHF-UHFFFAOYSA-N 0 1 299.414 3.936 20 10 CHCDMN CCCO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231882151 1132390686 /nfs/dbraw/zinc/39/06/86/1132390686.db2.gz LVSYKISBGCNGCG-MRXNPFEDSA-N 0 1 285.387 3.546 20 10 CHCDMN CCCO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231882151 1132390693 /nfs/dbraw/zinc/39/06/93/1132390693.db2.gz LVSYKISBGCNGCG-MRXNPFEDSA-N 0 1 285.387 3.546 20 10 CHCDMN CCc1cnc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841755675 1132391891 /nfs/dbraw/zinc/39/18/91/1132391891.db2.gz QSFDKHQWOXXWPB-SECBINFHSA-N 0 1 296.823 3.915 20 10 CHCDMN CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)(C)C ZINC000841756179 1132392726 /nfs/dbraw/zinc/39/27/26/1132392726.db2.gz USXCGUDSGUMFEM-QMTHXVAHSA-N 0 1 285.815 3.757 20 10 CHCDMN CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841758876 1132394341 /nfs/dbraw/zinc/39/43/41/1132394341.db2.gz VRKUSLJRNXEDKY-YHAQOWFVSA-N 0 1 283.799 3.510 20 10 CHCDMN [O-]c1cc(O)c(C[NH+]2CCC3(CCCC3)CC2)cc1Cl ZINC001232258113 1132444084 /nfs/dbraw/zinc/44/40/84/1132444084.db2.gz QICPMVOSTWJMOJ-UHFFFAOYSA-N 0 1 295.810 3.907 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c([O-])cc2O)CCC[C@@H]1C ZINC001232258635 1132444950 /nfs/dbraw/zinc/44/49/50/1132444950.db2.gz BNRWHEIZFDZROZ-QWRGUYRKSA-N 0 1 283.799 3.619 20 10 CHCDMN C[C@H]1C[N@H+](Cc2cc(Cl)c([O-])cc2O)CCC[C@@H]1C ZINC001232258635 1132444953 /nfs/dbraw/zinc/44/49/53/1132444953.db2.gz BNRWHEIZFDZROZ-QWRGUYRKSA-N 0 1 283.799 3.619 20 10 CHCDMN COc1cc([O-])c(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC001232269485 1132447537 /nfs/dbraw/zinc/44/75/37/1132447537.db2.gz BXPNENKLGCLAPQ-GHMZBOCLSA-N 0 1 283.799 3.532 20 10 CHCDMN C[C@@H]([NH2+]CC1CCC(F)CC1)c1cc(F)ccc1[O-] ZINC000842929298 1132478161 /nfs/dbraw/zinc/47/81/61/1132478161.db2.gz OQWZAOFVWGZLGN-VOMCLLRMSA-N 0 1 269.335 3.710 20 10 CHCDMN CC(C)(C)c1cccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001143104535 1132502162 /nfs/dbraw/zinc/50/21/62/1132502162.db2.gz UXSAGVYWKWBGDZ-PBHICJAKSA-N 0 1 297.389 3.962 20 10 CHCDMN CC(C)(C)c1cccc(CN2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001143104535 1132502170 /nfs/dbraw/zinc/50/21/70/1132502170.db2.gz UXSAGVYWKWBGDZ-PBHICJAKSA-N 0 1 297.389 3.962 20 10 CHCDMN Cc1ccc2c(c1)CC[N@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233079912 1132570281 /nfs/dbraw/zinc/57/02/81/1132570281.db2.gz NGQGWQIAULFEHY-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN CC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000132250800 1132579206 /nfs/dbraw/zinc/57/92/06/1132579206.db2.gz SLMCNTJLSSYFKB-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000132250800 1132579214 /nfs/dbraw/zinc/57/92/14/1132579214.db2.gz SLMCNTJLSSYFKB-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC[C@H](F)CC2)cccc1C(F)(F)F ZINC001233415916 1132618405 /nfs/dbraw/zinc/61/84/05/1132618405.db2.gz OBSKGXIRRUCTRG-NSHDSACASA-N 0 1 291.288 3.735 20 10 CHCDMN CC[C@@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416255 1132619100 /nfs/dbraw/zinc/61/91/00/1132619100.db2.gz BPKJFFOZKAOPTN-SECBINFHSA-N 0 1 261.287 3.641 20 10 CHCDMN C[N@@H+](Cc1ccc(C(F)(F)F)cc1[O-])C[C@@H]1CC1(C)C ZINC001233454664 1132626495 /nfs/dbraw/zinc/62/64/95/1132626495.db2.gz DXPSZEPDRWTHRZ-LBPRGKRZSA-N 0 1 287.325 3.889 20 10 CHCDMN C[N@H+](Cc1ccc(C(F)(F)F)cc1[O-])C[C@@H]1CC1(C)C ZINC001233454664 1132626498 /nfs/dbraw/zinc/62/64/98/1132626498.db2.gz DXPSZEPDRWTHRZ-LBPRGKRZSA-N 0 1 287.325 3.889 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233761368 1132674840 /nfs/dbraw/zinc/67/48/40/1132674840.db2.gz TUOBAKNMANUMMU-NSHDSACASA-N 0 1 289.297 3.665 20 10 CHCDMN CC[C@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233761368 1132674843 /nfs/dbraw/zinc/67/48/43/1132674843.db2.gz TUOBAKNMANUMMU-NSHDSACASA-N 0 1 289.297 3.665 20 10 CHCDMN C[N@@H+](Cc1ccccc1O)C12CC3CC(CC(C3)C1)C2 ZINC001203555833 1133338506 /nfs/dbraw/zinc/33/85/06/1133338506.db2.gz HBKNZLHPEGNQNO-UHFFFAOYSA-N 0 1 271.404 3.793 20 10 CHCDMN C[N@H+](Cc1ccccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001203555833 1133338509 /nfs/dbraw/zinc/33/85/09/1133338509.db2.gz HBKNZLHPEGNQNO-UHFFFAOYSA-N 0 1 271.404 3.793 20 10 CHCDMN C[N@@H+](Cc1ccccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001203555833 1133338516 /nfs/dbraw/zinc/33/85/16/1133338516.db2.gz HBKNZLHPEGNQNO-UHFFFAOYSA-N 0 1 271.404 3.793 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC[C@H]1C=CCC1 ZINC001203554137 1133338563 /nfs/dbraw/zinc/33/85/63/1133338563.db2.gz WUGADQOOTRDOCT-LBPRGKRZSA-N 0 1 265.784 3.882 20 10 CHCDMN Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203555572 1133338762 /nfs/dbraw/zinc/33/87/62/1133338762.db2.gz DRCFREUXWALKNL-KRWDZBQOSA-N 0 1 297.398 3.744 20 10 CHCDMN CC1CC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203574013 1133340326 /nfs/dbraw/zinc/34/03/26/1133340326.db2.gz JNMLGHGGDMINDX-UHFFFAOYSA-N 0 1 274.191 3.929 20 10 CHCDMN C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203574504 1133341259 /nfs/dbraw/zinc/34/12/59/1133341259.db2.gz YQXMZZOUJHGBLV-KWQFWETISA-N 0 1 292.181 3.879 20 10 CHCDMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203574504 1133341264 /nfs/dbraw/zinc/34/12/64/1133341264.db2.gz YQXMZZOUJHGBLV-KWQFWETISA-N 0 1 292.181 3.879 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001203651465 1133347720 /nfs/dbraw/zinc/34/77/20/1133347720.db2.gz PRCNKKSPVLVSMT-UHFFFAOYSA-N 0 1 283.774 3.760 20 10 CHCDMN C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001204164132 1133411999 /nfs/dbraw/zinc/41/19/99/1133411999.db2.gz YNCPEHMOBPNXPL-QWRGUYRKSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001204164132 1133412002 /nfs/dbraw/zinc/41/20/02/1133412002.db2.gz YNCPEHMOBPNXPL-QWRGUYRKSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@H]1[C@@H](C)[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC001206342871 1133692414 /nfs/dbraw/zinc/69/24/14/1133692414.db2.gz MRHLZOWJTJKEBH-OPRDCNLKSA-N 0 1 271.763 3.661 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC001206490343 1133708752 /nfs/dbraw/zinc/70/87/52/1133708752.db2.gz MAJIVXBXKSRAAS-AWEZNQCLSA-N 0 1 295.810 3.627 20 10 CHCDMN Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001209516204 1134033007 /nfs/dbraw/zinc/03/30/07/1134033007.db2.gz CPJUGMZBYUBPQS-YTQUADARSA-N 0 1 298.405 3.884 20 10 CHCDMN Cc1ccc(C)n1-c1ccc(CN2CC(C(F)F)C2)cc1 ZINC001209519705 1134034069 /nfs/dbraw/zinc/03/40/69/1134034069.db2.gz GBFNKOLASSMWLD-UHFFFAOYSA-N 0 1 290.357 3.791 20 10 CHCDMN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc2ccccc2c1[O-] ZINC000020125767 171009065 /nfs/dbraw/zinc/00/90/65/171009065.db2.gz QVXLRLOZWGGLIP-CYBMUJFWSA-N 0 1 286.419 3.536 20 10 CHCDMN C[C@@H]([NH2+]Cc1cccnc1)c1ccc2ccccc2c1[O-] ZINC000020140784 171027588 /nfs/dbraw/zinc/02/75/88/171027588.db2.gz YJAVGXYYXPCKBV-CYBMUJFWSA-N 0 1 278.355 3.791 20 10 CHCDMN COc1ccnc(NCc2c(C)c3ccccc3n2C)c1 ZINC000352534797 227035381 /nfs/dbraw/zinc/03/53/81/227035381.db2.gz JGHQOJQOLRZBOI-UHFFFAOYSA-N 0 1 281.359 3.502 20 10 CHCDMN CCc1nc([C@H](C)N[C@@H](C)c2cc(F)ccc2O)cs1 ZINC000185427159 262054226 /nfs/dbraw/zinc/05/42/26/262054226.db2.gz NRBKNZBDTTVXBA-UWVGGRQHSA-N 0 1 294.395 3.962 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185782176 262070677 /nfs/dbraw/zinc/07/06/77/262070677.db2.gz QRNMFAKVDPLQTI-WDEREUQCSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185782159 262070719 /nfs/dbraw/zinc/07/07/19/262070719.db2.gz QRNMFAKVDPLQTI-QWRGUYRKSA-N 0 1 283.799 3.511 20 10 CHCDMN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186519408 262096155 /nfs/dbraw/zinc/09/61/55/262096155.db2.gz QSZKQLBNYLOJNH-MXKYZYEVSA-N 0 1 285.387 3.523 20 10 CHCDMN Cc1cc([C@H]2CCCN2Cc2cc(C)c(C)cc2O)no1 ZINC000369991627 267281855 /nfs/dbraw/zinc/28/18/55/267281855.db2.gz TXPNRFLZIUSCMW-MRXNPFEDSA-N 0 1 286.375 3.643 20 10 CHCDMN C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000377408004 329014319 /nfs/dbraw/zinc/01/43/19/329014319.db2.gz OHDFMOXIBNRVPJ-QLJPJBMISA-N 0 1 289.762 3.657 20 10 CHCDMN C[C@H]1C[C@H]([NH2+]CC2CC=CC2)c2c1c(F)ccc2[O-] ZINC000527951658 330294406 /nfs/dbraw/zinc/29/44/06/330294406.db2.gz RJPQXFQEPAFKKM-GWCFXTLKSA-N 0 1 261.340 3.635 20 10 CHCDMN CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000527923640 330296077 /nfs/dbraw/zinc/29/60/77/330296077.db2.gz DDBFKPMACOTNFV-WFASDCNBSA-N 0 1 297.826 3.903 20 10 CHCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ncccc2F)c(O)c1C ZINC000528035046 330302432 /nfs/dbraw/zinc/30/24/32/330302432.db2.gz DJBXMIPAKOXOSH-OLZOCXBDSA-N 0 1 288.366 3.955 20 10 CHCDMN CC[C@@H](N[C@@H](C)c1ncccc1F)c1ccccc1O ZINC000528036239 330302676 /nfs/dbraw/zinc/30/26/76/330302676.db2.gz QBQOZVYZEZLMGA-SMDDNHRTSA-N 0 1 274.339 3.728 20 10 CHCDMN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000230661812 333320163 /nfs/dbraw/zinc/32/01/63/333320163.db2.gz ZGBPQDYBECLOPU-SCLBCKFNSA-N 0 1 287.403 3.747 20 10 CHCDMN CCCN(Cc1nc(C)cs1)Cc1ccccc1O ZINC000088602563 521694060 /nfs/dbraw/zinc/69/40/60/521694060.db2.gz ASWCBBQSFHMKCK-UHFFFAOYSA-N 0 1 276.405 3.569 20 10 CHCDMN CN(C)c1ccc(CNCc2ccco2)c(C(F)(F)F)c1 ZINC000279907564 522208605 /nfs/dbraw/zinc/20/86/05/522208605.db2.gz LSOGJDQDZWPFPB-UHFFFAOYSA-N 0 1 298.308 3.654 20 10 CHCDMN C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000297411097 524503656 /nfs/dbraw/zinc/50/36/56/524503656.db2.gz UAZAZFQHMHOCTK-KGLIPLIRSA-N 0 1 287.403 3.605 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc2ccccc2c1[O-] ZINC000042812030 525387865 /nfs/dbraw/zinc/38/78/65/525387865.db2.gz RRPOGFUDVOIKIR-ZFWWWQNUSA-N 0 1 285.387 3.765 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736940935 599767839 /nfs/dbraw/zinc/76/78/39/599767839.db2.gz VQWNJKQIQYGBPM-CYBMUJFWSA-N 0 1 299.370 3.618 20 10 CHCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C ZINC000162897536 1120923667 /nfs/dbraw/zinc/92/36/67/1120923667.db2.gz AADSSOBQWGMYGS-QWRGUYRKSA-N 0 1 253.773 3.524 20 10 CHCDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@H](C)C(C)C ZINC001180043667 1121942111 /nfs/dbraw/zinc/94/21/11/1121942111.db2.gz WODWLKMJSVUZQZ-LLVKDONJSA-N 0 1 255.789 3.912 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775663644 1122874811 /nfs/dbraw/zinc/87/48/11/1122874811.db2.gz QEVWMWYYIBELTB-LLVKDONJSA-N 0 1 257.736 3.559 20 10 CHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000825537279 1123219604 /nfs/dbraw/zinc/21/96/04/1123219604.db2.gz UGVFYAJFYLRJPQ-UHFFFAOYSA-N 0 1 296.208 3.531 20 10 CHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCCC2(CC2)C1 ZINC000825537279 1123219607 /nfs/dbraw/zinc/21/96/07/1123219607.db2.gz UGVFYAJFYLRJPQ-UHFFFAOYSA-N 0 1 296.208 3.531 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000131818462 1125410401 /nfs/dbraw/zinc/41/04/01/1125410401.db2.gz CHEPATDYEKKAMP-PHIMTYICSA-N 0 1 253.773 3.524 20 10 CHCDMN CCC[C@@H]1CCCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139683356 1131628074 /nfs/dbraw/zinc/62/80/74/1131628074.db2.gz LVJLQOCOBFYRHT-LLVKDONJSA-N 0 1 269.335 3.825 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140462206 1131748840 /nfs/dbraw/zinc/74/88/40/1131748840.db2.gz AKDOIHLNVAPKHL-NWDGAFQWSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140462206 1131748845 /nfs/dbraw/zinc/74/88/45/1131748845.db2.gz AKDOIHLNVAPKHL-NWDGAFQWSA-N 0 1 265.784 3.668 20 10 CHCDMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451279 1132624702 /nfs/dbraw/zinc/62/47/02/1132624702.db2.gz DXUHNSWBYDVYPG-SNVBAGLBSA-N 0 1 273.298 3.785 20 10 CHCDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451279 1132624705 /nfs/dbraw/zinc/62/47/05/1132624705.db2.gz DXUHNSWBYDVYPG-SNVBAGLBSA-N 0 1 273.298 3.785 20 10 CHCDMN Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841746306 1125570964 /nfs/dbraw/zinc/57/09/64/1125570964.db2.gz YFVCZMMXQOMQAQ-LLVKDONJSA-N 0 1 276.767 3.600 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000134957864 1125571462 /nfs/dbraw/zinc/57/14/62/1125571462.db2.gz UZIDCXPKQQTGEZ-QWHCGFSZSA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000134957864 1125571469 /nfs/dbraw/zinc/57/14/69/1125571469.db2.gz UZIDCXPKQQTGEZ-QWHCGFSZSA-N 0 1 255.361 3.776 20 10 CHCDMN CCC(C)(C)OCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757643 1125596615 /nfs/dbraw/zinc/59/66/15/1125596615.db2.gz OEPOVWNBPJXOLK-LLVKDONJSA-N 0 1 285.815 3.901 20 10 CHCDMN CO[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000293669340 1129179580 /nfs/dbraw/zinc/17/95/80/1129179580.db2.gz JHJVEAVNCJPFHE-PXAZEXFGSA-N 0 1 285.387 3.621 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000790702049 1130326800 /nfs/dbraw/zinc/32/68/00/1130326800.db2.gz PYTAELOBBIKBDS-HIFRSBDPSA-N 0 1 299.842 3.882 20 10 CHCDMN CC[C@@](C)(NCc1cc(C)c(C)cc1O)c1nccs1 ZINC000174419931 1126770247 /nfs/dbraw/zinc/77/02/47/1126770247.db2.gz QBHWNTCFCCUPDH-MRXNPFEDSA-N 0 1 290.432 3.881 20 10 CHCDMN Cc1ncsc1CN(C)Cc1cc(Cl)cc(C)c1O ZINC000180038907 1126838762 /nfs/dbraw/zinc/83/87/62/1126838762.db2.gz BLZFKDBMHJQWDI-UHFFFAOYSA-N 0 1 296.823 3.751 20 10 CHCDMN C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000783308226 1130815608 /nfs/dbraw/zinc/81/56/08/1130815608.db2.gz CJLLIKCIHGSVOR-SCVCMEIPSA-N 0 1 253.773 3.885 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(Cl)o1 ZINC000698049105 1127014936 /nfs/dbraw/zinc/01/49/36/1127014936.db2.gz LQFSNEQGPJYZTC-UHFFFAOYSA-N 0 1 272.131 3.582 20 10 CHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cncs1 ZINC000268786728 1127023778 /nfs/dbraw/zinc/02/37/78/1127023778.db2.gz BOXHIUHPCKGFKO-ZDUSSCGKSA-N 0 1 287.432 3.594 20 10 CHCDMN Cc1nc(CN[C@H](C)c2c(C)cc(C)cc2O)cs1 ZINC000815561303 1130999831 /nfs/dbraw/zinc/99/98/31/1130999831.db2.gz DAZWVMFWTUDMAN-LLVKDONJSA-N 0 1 276.405 3.625 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C(C)C)c(Cl)c1 ZINC001236808620 1131011134 /nfs/dbraw/zinc/01/11/34/1131011134.db2.gz QBTCXMKYKGWCTJ-AWEZNQCLSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C(C)C)c(Cl)c1 ZINC001236808620 1131011139 /nfs/dbraw/zinc/01/11/39/1131011139.db2.gz QBTCXMKYKGWCTJ-AWEZNQCLSA-N 0 1 283.799 3.675 20 10 CHCDMN CC(C)C[N@@H+](C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237078000 1131048208 /nfs/dbraw/zinc/04/82/08/1131048208.db2.gz MBPUSYCVIXJDAH-UHFFFAOYSA-N 0 1 262.180 3.787 20 10 CHCDMN CC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237126106 1131054412 /nfs/dbraw/zinc/05/44/12/1131054412.db2.gz JAYJGCPDALAVEW-SNVBAGLBSA-N 0 1 271.763 3.949 20 10 CHCDMN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237126106 1131054415 /nfs/dbraw/zinc/05/44/15/1131054415.db2.gz JAYJGCPDALAVEW-SNVBAGLBSA-N 0 1 271.763 3.949 20 10 CHCDMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237126106 1131054418 /nfs/dbraw/zinc/05/44/18/1131054418.db2.gz JAYJGCPDALAVEW-SNVBAGLBSA-N 0 1 271.763 3.949 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C2(CC2)C1 ZINC001237623272 1131118565 /nfs/dbraw/zinc/11/85/65/1131118565.db2.gz KSWZLODHSBVGFI-SECBINFHSA-N 0 1 269.747 3.559 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001237617252 1131119864 /nfs/dbraw/zinc/11/98/64/1131119864.db2.gz ORQYKYNUXNVTEK-LLVKDONJSA-N 0 1 275.726 3.509 20 10 CHCDMN C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1C ZINC000816647952 1131120803 /nfs/dbraw/zinc/12/08/03/1131120803.db2.gz BEFTYIXJOBLPFP-QWRGUYRKSA-N 0 1 286.341 3.612 20 10 CHCDMN CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000224422524 1127261822 /nfs/dbraw/zinc/26/18/22/1127261822.db2.gz UHDXPESHTYVRSP-JCURWCKSSA-N 0 1 285.387 3.764 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000287373487 1127302458 /nfs/dbraw/zinc/30/24/58/1127302458.db2.gz HYDATGNFFWOVES-DZKIICNBSA-N 0 1 299.414 3.869 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000287373499 1127302782 /nfs/dbraw/zinc/30/27/82/1127302782.db2.gz HYDATGNFFWOVES-OFQRWUPVSA-N 0 1 299.414 3.869 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228175128 1127537141 /nfs/dbraw/zinc/53/71/41/1127537141.db2.gz AMKSISZJCGELTM-SMDDNHRTSA-N 0 1 265.784 3.810 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc1Cl ZINC001231870794 1127544520 /nfs/dbraw/zinc/54/45/20/1127544520.db2.gz UFQOUVPCTDFWLR-ZYHUDNBSSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C[C@H]2C)cc1Cl ZINC001231870794 1127544523 /nfs/dbraw/zinc/54/45/23/1127544523.db2.gz UFQOUVPCTDFWLR-ZYHUDNBSSA-N 0 1 267.800 3.974 20 10 CHCDMN Oc1c(Cl)cccc1CN1CCC[C@H](F)C(F)(F)C1 ZINC001231910186 1127548710 /nfs/dbraw/zinc/54/87/10/1127548710.db2.gz ZMWRGHZNLFDLFK-NSHDSACASA-N 0 1 293.716 3.615 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1[O-] ZINC000228627015 1127576297 /nfs/dbraw/zinc/57/62/97/1127576297.db2.gz NTNZMYICGNEYAQ-JTQLQIEISA-N 0 1 285.815 3.921 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1[O-] ZINC000228627015 1127576300 /nfs/dbraw/zinc/57/63/00/1127576300.db2.gz NTNZMYICGNEYAQ-JTQLQIEISA-N 0 1 285.815 3.921 20 10 CHCDMN CC[C@H]([NH2+]CCC1CC1)c1cc(Br)ccc1[O-] ZINC000088454372 1127937582 /nfs/dbraw/zinc/93/75/82/1127937582.db2.gz SUDGEWHFQXGHNY-ZDUSSCGKSA-N 0 1 298.224 3.996 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)C1CC1)c1cc(Br)ccc1[O-] ZINC000134911236 1128115305 /nfs/dbraw/zinc/11/53/05/1128115305.db2.gz ODLPJSHVCBVSKT-IUCAKERBSA-N 0 1 284.197 3.604 20 10 CHCDMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000762140986 1128273237 /nfs/dbraw/zinc/27/32/37/1128273237.db2.gz MGNNGHVEWKETPK-CYBMUJFWSA-N 0 1 282.387 3.705 20 10 CHCDMN C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000762140986 1128273239 /nfs/dbraw/zinc/27/32/39/1128273239.db2.gz MGNNGHVEWKETPK-CYBMUJFWSA-N 0 1 282.387 3.705 20 10 CHCDMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000762140986 1128273240 /nfs/dbraw/zinc/27/32/40/1128273240.db2.gz MGNNGHVEWKETPK-CYBMUJFWSA-N 0 1 282.387 3.705 20 10 CHCDMN C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cc(Cl)ccc1[O-] ZINC000762784777 1128318261 /nfs/dbraw/zinc/31/82/61/1128318261.db2.gz ZEGWSGPJWNSRMZ-LLVKDONJSA-N 0 1 287.790 3.864 20 10 CHCDMN C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1cc(F)ccc1[O-] ZINC000324606570 1128390043 /nfs/dbraw/zinc/39/00/43/1128390043.db2.gz BJRZXUUFPGHJAE-HWPZZCPQSA-N 0 1 263.356 3.761 20 10 CHCDMN C[C@H]1c2ccsc2CCN1Cc1cc(F)ccc1O ZINC000778995534 1128674421 /nfs/dbraw/zinc/67/44/21/1128674421.db2.gz ZBNLVSWCSSGRQI-JTQLQIEISA-N 0 1 277.364 3.712 20 10 CHCDMN CN(C)c1ccc(CN(Cc2ccco2)C2CC2)cc1 ZINC000920258297 1128674680 /nfs/dbraw/zinc/67/46/80/1128674680.db2.gz MAGJRAYGYPRZMM-UHFFFAOYSA-N 0 1 270.376 3.510 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000728196649 1117868791 /nfs/dbraw/zinc/86/87/91/1117868791.db2.gz OIGBARGTYUSALY-QGZVFWFLSA-N 0 1 282.387 3.705 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000728196649 1117868797 /nfs/dbraw/zinc/86/87/97/1117868797.db2.gz OIGBARGTYUSALY-QGZVFWFLSA-N 0 1 282.387 3.705 20 10 CHCDMN COc1cnccc1[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000188784416 1128765420 /nfs/dbraw/zinc/76/54/20/1128765420.db2.gz FZOPBZKCVNAPFZ-KGLIPLIRSA-N 0 1 299.418 3.568 20 10 CHCDMN CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079352809 1118305716 /nfs/dbraw/zinc/30/57/16/1118305716.db2.gz STRARDFBOFUOEY-CYBMUJFWSA-N 0 1 293.382 3.746 20 10 CHCDMN CN(C)c1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000083748775 1118359306 /nfs/dbraw/zinc/35/93/06/1118359306.db2.gz SKOBPGMNTAZTCC-MRXNPFEDSA-N 0 1 284.428 3.689 20 10 CHCDMN Cc1ccc(CNCc2ccc(N3CCCCC3)cc2)o1 ZINC000049949235 1118385134 /nfs/dbraw/zinc/38/51/34/1118385134.db2.gz QNWMSRLIVUVDPJ-UHFFFAOYSA-N 0 1 284.403 3.868 20 10 CHCDMN C[C@@H]1CCCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707136584 1118641043 /nfs/dbraw/zinc/64/10/43/1118641043.db2.gz TTXVBQVBFLZLEE-LLVKDONJSA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@@H]1CCCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707136584 1118641046 /nfs/dbraw/zinc/64/10/46/1118641046.db2.gz TTXVBQVBFLZLEE-LLVKDONJSA-N 0 1 298.224 3.777 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC2CCC1CC2 ZINC000707138741 1118642890 /nfs/dbraw/zinc/64/28/90/1118642890.db2.gz FXTOUIJXTHVADW-UHFFFAOYSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC2CCC1CC2 ZINC000707138741 1118642892 /nfs/dbraw/zinc/64/28/92/1118642892.db2.gz FXTOUIJXTHVADW-UHFFFAOYSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cccc(Br)c1C[NH+]1CCCCCCC1 ZINC000707153050 1118650865 /nfs/dbraw/zinc/65/08/65/1118650865.db2.gz RZXTUTKSPXFOQZ-UHFFFAOYSA-N 0 1 298.224 3.921 20 10 CHCDMN Oc1ccccc1CN[C@H](c1ccco1)c1ccccc1 ZINC000041640172 1118949176 /nfs/dbraw/zinc/94/91/76/1118949176.db2.gz NEYHBCBFELWCRO-SFHVURJKSA-N 0 1 279.339 3.864 20 10 CHCDMN C[C@@H](NCc1nc(C2CC2)cs1)c1ccccc1O ZINC000183619256 1118988917 /nfs/dbraw/zinc/98/89/17/1118988917.db2.gz SGBRUKJODPWPOF-SNVBAGLBSA-N 0 1 274.389 3.577 20 10 CHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001140583604 1119154273 /nfs/dbraw/zinc/15/42/73/1119154273.db2.gz NHZXPOXZMKXHQN-ABAIWWIYSA-N 0 1 281.346 3.825 20 10 CHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001140583606 1119154791 /nfs/dbraw/zinc/15/47/91/1119154791.db2.gz NHZXPOXZMKXHQN-NHYWBVRUSA-N 0 1 281.346 3.825 20 10 CHCDMN CCC1(C[NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000226614893 1119227370 /nfs/dbraw/zinc/22/73/70/1119227370.db2.gz HQNXVNLRKHKVCS-UHFFFAOYSA-N 0 1 251.345 3.591 20 10 CHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(F)nc1 ZINC000225942220 1119248070 /nfs/dbraw/zinc/24/80/70/1119248070.db2.gz ZJPLSKVWSVLTCW-UHFFFAOYSA-N 0 1 287.121 3.845 20 10 CHCDMN C[C@@H]([NH2+]CC(C)(C)C)c1ccc(Br)cc1[O-] ZINC000309567316 1120127995 /nfs/dbraw/zinc/12/79/95/1120127995.db2.gz MNJYOSSKINSQGJ-SECBINFHSA-N 0 1 286.213 3.851 20 10 CHCDMN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000309587829 1120132136 /nfs/dbraw/zinc/13/21/36/1120132136.db2.gz SQJNWIPLYVMSRD-AUTRQRHGSA-N 0 1 284.197 3.604 20 10 CHCDMN CCC(CC)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756339556 1120212009 /nfs/dbraw/zinc/21/20/09/1120212009.db2.gz BBDJYMXNCWSASQ-SKDRFNHKSA-N 0 1 251.345 3.858 20 10 CHCDMN C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000756421473 1120336436 /nfs/dbraw/zinc/33/64/36/1120336436.db2.gz ZVXNUSXGWWQSNX-OLZOCXBDSA-N 0 1 296.842 3.571 20 10 CHCDMN CCc1ccc([C@H]2CN(Cc3ccccc3O)CCO2)cc1 ZINC000191665428 1120525995 /nfs/dbraw/zinc/52/59/95/1120525995.db2.gz YNYLWWBSHCNXRL-LJQANCHMSA-N 0 1 297.398 3.528 20 10 CHCDMN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCC(F)(F)CC1 ZINC000690837750 1120588697 /nfs/dbraw/zinc/58/86/97/1120588697.db2.gz AWPJSFJMYNYZAS-JTQLQIEISA-N 0 1 287.325 3.835 20 10 CHCDMN CSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000093558739 1120822501 /nfs/dbraw/zinc/82/25/01/1120822501.db2.gz WAVZUPRYAXUFQB-JTQLQIEISA-N 0 1 273.829 3.619 20 10 CHCDMN CSCC[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000093558739 1120822505 /nfs/dbraw/zinc/82/25/05/1120822505.db2.gz WAVZUPRYAXUFQB-JTQLQIEISA-N 0 1 273.829 3.619 20 10 CHCDMN CSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000093558739 1120822508 /nfs/dbraw/zinc/82/25/08/1120822508.db2.gz WAVZUPRYAXUFQB-JTQLQIEISA-N 0 1 273.829 3.619 20 10 CHCDMN COC1(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CCC1 ZINC000186509357 1120920634 /nfs/dbraw/zinc/92/06/34/1120920634.db2.gz VJJLDZYCOIHAQR-CYBMUJFWSA-N 0 1 285.387 3.765 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C ZINC000162897536 1120923663 /nfs/dbraw/zinc/92/36/63/1120923663.db2.gz AADSSOBQWGMYGS-QWRGUYRKSA-N 0 1 253.773 3.524 20 10 CHCDMN CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273617859 1120973179 /nfs/dbraw/zinc/97/31/79/1120973179.db2.gz YCSOSONNEIMJNT-STQMWFEESA-N 0 1 273.376 3.621 20 10 CHCDMN CO[C@H](C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273617855 1120973293 /nfs/dbraw/zinc/97/32/93/1120973293.db2.gz YCSOSONNEIMJNT-OLZOCXBDSA-N 0 1 273.376 3.621 20 10 CHCDMN CCC[N@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000728903421 1121173478 /nfs/dbraw/zinc/17/34/78/1121173478.db2.gz YLPMWRUNBFEWRH-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN CCC[N@@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000728903421 1121173481 /nfs/dbraw/zinc/17/34/81/1121173481.db2.gz YLPMWRUNBFEWRH-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2F)Cc2ccccc21 ZINC001137831936 1121180402 /nfs/dbraw/zinc/18/04/02/1121180402.db2.gz TXOFFGPJYUIGKA-LBPRGKRZSA-N 0 1 271.335 3.651 20 10 CHCDMN CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000766089319 1121210297 /nfs/dbraw/zinc/21/02/97/1121210297.db2.gz QAPKBNUDGCWRSH-HUUCEWRRSA-N 0 1 297.826 3.727 20 10 CHCDMN C[C@@H](NCc1cc(F)ccc1F)c1cc(F)ccc1O ZINC000094618218 1121215885 /nfs/dbraw/zinc/21/58/85/1121215885.db2.gz NZGKVLWFIFNGGD-SECBINFHSA-N 0 1 281.277 3.660 20 10 CHCDMN Cc1ccc(C)c(NCc2ccc(F)c(F)c2O)c1 ZINC000703310821 1121246590 /nfs/dbraw/zinc/24/65/90/1121246590.db2.gz XVOADJNKLAESBR-UHFFFAOYSA-N 0 1 263.287 3.899 20 10 CHCDMN Cc1cc(F)ccc1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000094950715 1121247653 /nfs/dbraw/zinc/24/76/53/1121247653.db2.gz ZLVDYJCOCIGPSA-UHFFFAOYSA-N 0 1 293.769 3.825 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237121022 1128980728 /nfs/dbraw/zinc/98/07/28/1128980728.db2.gz JYJNNXKZMPLLAM-AOOOYVTPSA-N 0 1 271.763 3.948 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237121022 1128980732 /nfs/dbraw/zinc/98/07/32/1128980732.db2.gz JYJNNXKZMPLLAM-AOOOYVTPSA-N 0 1 271.763 3.948 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1cc(F)ccc1[O-] ZINC000706226657 1121420178 /nfs/dbraw/zinc/42/01/78/1121420178.db2.gz SDSWRBHGIMQVAW-VXGBXAGGSA-N 0 1 263.356 3.762 20 10 CHCDMN C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1cc(F)ccc1[O-] ZINC000688499440 1129004133 /nfs/dbraw/zinc/00/41/33/1129004133.db2.gz BFKBQMVYYUPUME-SECBINFHSA-N 0 1 273.298 3.760 20 10 CHCDMN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@H]1CCOC1 ZINC000730259799 1121799515 /nfs/dbraw/zinc/79/95/15/1121799515.db2.gz DFJZCVXAZPYFQT-ZDUSSCGKSA-N 0 1 297.354 3.512 20 10 CHCDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@H]1CCOC1 ZINC000730259799 1121799517 /nfs/dbraw/zinc/79/95/17/1121799517.db2.gz DFJZCVXAZPYFQT-ZDUSSCGKSA-N 0 1 297.354 3.512 20 10 CHCDMN CCN(C)c1ccc(CN[C@H](C)c2c(C)noc2C)cc1 ZINC000773815101 1121880756 /nfs/dbraw/zinc/88/07/56/1121880756.db2.gz YQOSKABGCZOBIF-GFCCVEGCSA-N 0 1 287.407 3.598 20 10 CHCDMN C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC001180057490 1121943820 /nfs/dbraw/zinc/94/38/20/1121943820.db2.gz GEMNJVSVENPUMB-NSHDSACASA-N 0 1 279.380 3.656 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccccc1 ZINC001180143169 1121953263 /nfs/dbraw/zinc/95/32/63/1121953263.db2.gz UYGMGNRSBXIGTN-MEDUHNTESA-N 0 1 289.325 3.863 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC001180198582 1121965582 /nfs/dbraw/zinc/96/55/82/1121965582.db2.gz DWXFECKJFCCYCM-VHSXEESVSA-N 0 1 271.763 3.663 20 10 CHCDMN CC[C@@H](C)C[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC001180262413 1121969268 /nfs/dbraw/zinc/96/92/68/1121969268.db2.gz UOJJKTUMZMTSDD-SNVBAGLBSA-N 0 1 255.789 3.832 20 10 CHCDMN CC[C@@H](C)C[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001180262413 1121969273 /nfs/dbraw/zinc/96/92/73/1121969273.db2.gz UOJJKTUMZMTSDD-SNVBAGLBSA-N 0 1 255.789 3.832 20 10 CHCDMN CC[C@@H](C)C[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001180262413 1121969276 /nfs/dbraw/zinc/96/92/76/1121969276.db2.gz UOJJKTUMZMTSDD-SNVBAGLBSA-N 0 1 255.789 3.832 20 10 CHCDMN COC1(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000815642082 1121972099 /nfs/dbraw/zinc/97/20/99/1121972099.db2.gz QYOXVRLYOUGFQG-LLVKDONJSA-N 0 1 283.799 3.655 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1c([O-])ccc(Cl)c1F ZINC001180614113 1122000646 /nfs/dbraw/zinc/00/06/46/1122000646.db2.gz WQGNMUOAXJPNCN-UHFFFAOYSA-N 0 1 271.763 3.807 20 10 CHCDMN CCOC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC001181391283 1122054268 /nfs/dbraw/zinc/05/42/68/1122054268.db2.gz WMXAIBSOMFNTEZ-AWEZNQCLSA-N 0 1 285.815 3.505 20 10 CHCDMN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000272034712 1122188414 /nfs/dbraw/zinc/18/84/14/1122188414.db2.gz UYMQQNSWSKWSCK-QWHCGFSZSA-N 0 1 297.826 3.729 20 10 CHCDMN Oc1cccc2sc(CN3Cc4cccc(O)c4C3)cc21 ZINC001183455688 1122224944 /nfs/dbraw/zinc/22/49/44/1122224944.db2.gz VZDXZSVUDZEDQC-UHFFFAOYSA-N 0 1 297.379 3.828 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000273491821 1122236773 /nfs/dbraw/zinc/23/67/73/1122236773.db2.gz OKIKZCKABGZJPX-DGCLKSJQSA-N 0 1 295.810 3.798 20 10 CHCDMN Cc1ncc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000273563801 1122238775 /nfs/dbraw/zinc/23/87/75/1122238775.db2.gz IUKTVUGQFOVGGE-MRVPVSSYSA-N 0 1 282.796 3.661 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001203582034 1122252318 /nfs/dbraw/zinc/25/23/18/1122252318.db2.gz NFKPVZSTPVAXPS-JWYUURKGSA-N 0 1 290.165 3.631 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc2ccccc2c1[O-] ZINC000319798434 1122411966 /nfs/dbraw/zinc/41/19/66/1122411966.db2.gz ANXLDSVOVFWBLO-DZKIICNBSA-N 0 1 299.414 3.747 20 10 CHCDMN CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000775373661 1122532405 /nfs/dbraw/zinc/53/24/05/1122532405.db2.gz ZLGATGURBMWEGK-GOEBONIOSA-N 0 1 297.826 3.729 20 10 CHCDMN COc1cccc(F)c1[C@H](C)N[C@H](C)c1ccccc1O ZINC000183533433 1129061106 /nfs/dbraw/zinc/06/11/06/1129061106.db2.gz PSCRNVLYHKQOMX-NEPJUHHUSA-N 0 1 289.350 3.952 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cccc(C)n1)c1cc(Cl)ccc1[O-] ZINC000775490315 1122620426 /nfs/dbraw/zinc/62/04/26/1122620426.db2.gz BQPGRCFHBPCTMK-OAHLLOKOSA-N 0 1 290.794 3.990 20 10 CHCDMN CCOCCCC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775491321 1122622275 /nfs/dbraw/zinc/62/22/75/1122622275.db2.gz IDQZJHDMGDWAGZ-CQSZACIVSA-N 0 1 285.815 3.903 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775501746 1122628465 /nfs/dbraw/zinc/62/84/65/1122628465.db2.gz KTDWBYZGDNWZGU-XHDPSFHLSA-N 0 1 296.842 3.569 20 10 CHCDMN CC[C@H]([NH2+]CCCC(C)(C)CO)c1cc(Cl)ccc1[O-] ZINC000775508602 1122630127 /nfs/dbraw/zinc/63/01/27/1122630127.db2.gz DJKUZILHXYLRAV-AWEZNQCLSA-N 0 1 299.842 3.885 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000775510940 1122633158 /nfs/dbraw/zinc/63/31/58/1122633158.db2.gz BGPYOPZJOOKZIB-DGCLKSJQSA-N 0 1 285.840 3.982 20 10 CHCDMN CC[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000775509611 1122633337 /nfs/dbraw/zinc/63/33/37/1122633337.db2.gz STDVXJOOFSFBTI-WFASDCNBSA-N 0 1 296.842 3.571 20 10 CHCDMN CC[C@H](C[C@H](C)CO)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513276 1122633660 /nfs/dbraw/zinc/63/36/60/1122633660.db2.gz PLVVRBQJFXNPCX-NJZAAPMLSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCCS1)c1cc(Cl)ccc1[O-] ZINC000775512315 1122633878 /nfs/dbraw/zinc/63/38/78/1122633878.db2.gz JBJKVQJMYYZUHB-AAEUAGOBSA-N 0 1 285.840 3.982 20 10 CHCDMN CC[C@H]([NH2+]CC(CC)(CC)CO)c1cc(Cl)ccc1[O-] ZINC000775523532 1122640966 /nfs/dbraw/zinc/64/09/66/1122640966.db2.gz JVUZGHLXFZIQHP-AWEZNQCLSA-N 0 1 299.842 3.885 20 10 CHCDMN CC[C@H]([NH2+]CC1(C)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775524564 1122642949 /nfs/dbraw/zinc/64/29/49/1122642949.db2.gz CFFUWGSQFLVTKH-AWEZNQCLSA-N 0 1 297.826 3.903 20 10 CHCDMN CC(C)(C)CC(C)(C)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193625052 1122702322 /nfs/dbraw/zinc/70/23/22/1122702322.db2.gz DNRMHKVIRLABHM-UHFFFAOYSA-N 0 1 299.798 3.696 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCCCC1 ZINC000775639322 1122844503 /nfs/dbraw/zinc/84/45/03/1122844503.db2.gz TWSWANNKJSVDOD-UHFFFAOYSA-N 0 1 271.763 3.949 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000775662945 1122873884 /nfs/dbraw/zinc/87/38/84/1122873884.db2.gz XASOPRPBILTNHY-QMTHXVAHSA-N 0 1 283.774 3.949 20 10 CHCDMN Cc1cc(Cl)cc(CN2CCc3ccsc3C2)c1O ZINC000775699704 1122912126 /nfs/dbraw/zinc/91/21/26/1122912126.db2.gz CBPZJQCQZGRKFO-UHFFFAOYSA-N 0 1 293.819 3.974 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCc2ccsc2C1 ZINC000775701350 1122912263 /nfs/dbraw/zinc/91/22/63/1122912263.db2.gz SFVHVUYQCHEEEA-UHFFFAOYSA-N 0 1 297.782 3.805 20 10 CHCDMN CC(C)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCC1 ZINC000775716034 1122922117 /nfs/dbraw/zinc/92/21/17/1122922117.db2.gz PKEXELOCQKSGTK-UHFFFAOYSA-N 0 1 271.763 3.948 20 10 CHCDMN Cc1cccc(CNCc2cc(-c3ccccc3)on2)c1O ZINC000776151828 1123084175 /nfs/dbraw/zinc/08/41/75/1123084175.db2.gz WIDMIWOSMXISAK-UHFFFAOYSA-N 0 1 294.354 3.645 20 10 CHCDMN COc1ccc2c(c1)c1c(n2C)CC[N@H+](CC(C)(C)C)C1 ZINC001201440539 1123104642 /nfs/dbraw/zinc/10/46/42/1123104642.db2.gz RPEWNLZSBKVMSJ-UHFFFAOYSA-N 0 1 286.419 3.591 20 10 CHCDMN COc1ccc2c(c1)c1c(n2C)CCN(CC(C)(C)C)C1 ZINC001201440539 1123104643 /nfs/dbraw/zinc/10/46/43/1123104643.db2.gz RPEWNLZSBKVMSJ-UHFFFAOYSA-N 0 1 286.419 3.591 20 10 CHCDMN C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000776207914 1123146085 /nfs/dbraw/zinc/14/60/85/1123146085.db2.gz RIBCIGCHSSDZND-NSHDSACASA-N 0 1 293.769 3.906 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(Br)ccc1[O-] ZINC000850507191 1123277110 /nfs/dbraw/zinc/27/71/10/1123277110.db2.gz DOONKBVDHDCJHK-MWLCHTKSSA-N 0 1 282.181 3.524 20 10 CHCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2cscn2)c(O)c1C ZINC000850511499 1123277658 /nfs/dbraw/zinc/27/76/58/1123277658.db2.gz GTUZBSLCDNCBRM-NEPJUHHUSA-N 0 1 276.405 3.877 20 10 CHCDMN C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc2ccccc2c1[O-] ZINC000850525082 1123281122 /nfs/dbraw/zinc/28/11/22/1123281122.db2.gz KYGCOUWPAYIGCM-ZFWWWQNUSA-N 0 1 297.398 3.908 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000850572009 1123295059 /nfs/dbraw/zinc/29/50/59/1123295059.db2.gz XWFBOJUCPNBLEP-FZMZJTMJSA-N 0 1 297.826 3.901 20 10 CHCDMN Cc1cc(Cl)cc(C[N@H+]2CCC23CCCC3)c1O ZINC001237681081 1129123356 /nfs/dbraw/zinc/12/33/56/1129123356.db2.gz KYJBBYBHTWPOOM-UHFFFAOYSA-N 0 1 265.784 3.873 20 10 CHCDMN Cc1cccc(CN[C@@H]2c3ccccc3CC[C@H]2F)c1O ZINC000895693153 1123505589 /nfs/dbraw/zinc/50/55/89/1123505589.db2.gz YZTRBBDJPMDXRJ-IAGOWNOFSA-N 0 1 285.362 3.816 20 10 CHCDMN CS[C@@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000117393893 1123728608 /nfs/dbraw/zinc/72/86/08/1123728608.db2.gz SJEOAYYTUSVBKT-WDEREUQCSA-N 0 1 285.840 3.809 20 10 CHCDMN C[C@H]1C[NH+](Cc2cc(Cl)ccc2[O-])C[C@H](C)C1(F)F ZINC000862443421 1123812163 /nfs/dbraw/zinc/81/21/63/1123812163.db2.gz OWZJEDGKOZVMJV-UWVGGRQHSA-N 0 1 289.753 3.769 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2cccnc2F)cc1 ZINC000794837843 1123982213 /nfs/dbraw/zinc/98/22/13/1123982213.db2.gz VWDCIBHLFUVFSD-CYBMUJFWSA-N 0 1 287.382 3.528 20 10 CHCDMN Cc1ccc(O)c(CN[C@@H](CF)c2ccc(F)cc2)c1 ZINC000865823072 1124017495 /nfs/dbraw/zinc/01/74/95/1124017495.db2.gz RGTHMEVZNLNUEQ-HNNXBMFYSA-N 0 1 277.314 3.640 20 10 CHCDMN CCc1onc(C)c1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000897336924 1124074915 /nfs/dbraw/zinc/07/49/15/1124074915.db2.gz RNVWRCLFABLVDF-UHFFFAOYSA-N 0 1 294.782 3.503 20 10 CHCDMN CCCOc1ccc(CNCc2c(C)noc2C)cc1C ZINC000873023531 1124734557 /nfs/dbraw/zinc/73/45/57/1124734557.db2.gz ZNOPCESTQLODMF-UHFFFAOYSA-N 0 1 288.391 3.678 20 10 CHCDMN CCCOc1ccc(CN[C@H](CO)c2ccccc2)cc1C ZINC000873051841 1124736499 /nfs/dbraw/zinc/73/64/99/1124736499.db2.gz IETPLCYUDOBJGA-GOSISDBHSA-N 0 1 299.414 3.607 20 10 CHCDMN C[C@@H]([N@@H+](C)Cc1cccc(Cl)c1[O-])C(C)(C)C ZINC000124540880 1124772631 /nfs/dbraw/zinc/77/26/31/1124772631.db2.gz JMMZIWMJEDZTCS-SNVBAGLBSA-N 0 1 255.789 3.912 20 10 CHCDMN Oc1c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)ccc2ccccc21 ZINC000877736839 1125070219 /nfs/dbraw/zinc/07/02/19/1125070219.db2.gz DMMCXCNUEVCIHF-HZPDHXFCSA-N 0 1 299.439 3.730 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)ccc2ccccc21 ZINC000877736839 1125070229 /nfs/dbraw/zinc/07/02/29/1125070229.db2.gz DMMCXCNUEVCIHF-HZPDHXFCSA-N 0 1 299.439 3.730 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)ccc2ccccc21 ZINC000877736839 1125070236 /nfs/dbraw/zinc/07/02/36/1125070236.db2.gz DMMCXCNUEVCIHF-HZPDHXFCSA-N 0 1 299.439 3.730 20 10 CHCDMN C[C@@H](c1ccco1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000131076537 1125373831 /nfs/dbraw/zinc/37/38/31/1125373831.db2.gz ZHHZAJXVWFXJKM-JTQLQIEISA-N 0 1 265.740 3.832 20 10 CHCDMN C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000131076537 1125373833 /nfs/dbraw/zinc/37/38/33/1125373833.db2.gz ZHHZAJXVWFXJKM-JTQLQIEISA-N 0 1 265.740 3.832 20 10 CHCDMN CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000883272173 1125389744 /nfs/dbraw/zinc/38/97/44/1125389744.db2.gz FSIFLZODDJTPGK-UMVBOHGHSA-N 0 1 285.387 3.621 20 10 CHCDMN CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000883272174 1125390249 /nfs/dbraw/zinc/39/02/49/1125390249.db2.gz FSIFLZODDJTPGK-YDHLFZDLSA-N 0 1 285.387 3.621 20 10 CHCDMN Oc1ccccc1CN[C@H]1c2ccccc2CC[C@H]1F ZINC000883382436 1125406987 /nfs/dbraw/zinc/40/69/87/1125406987.db2.gz GXMQXJHCVYUVTP-WBVHZDCISA-N 0 1 271.335 3.507 20 10 CHCDMN CCOc1cccc(C[N@@H+](CC)C2CCCCC2)c1O ZINC000131773603 1125409581 /nfs/dbraw/zinc/40/95/81/1125409581.db2.gz QZHSSGGZWALFEH-UHFFFAOYSA-N 0 1 277.408 3.946 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000131818462 1125410400 /nfs/dbraw/zinc/41/04/00/1125410400.db2.gz CHEPATDYEKKAMP-PHIMTYICSA-N 0 1 253.773 3.524 20 10 CHCDMN CSC(C)(C)C[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC001258347585 1129232394 /nfs/dbraw/zinc/23/23/94/1129232394.db2.gz XGYSWVBEPDCKJX-LBPRGKRZSA-N 0 1 267.438 3.744 20 10 CHCDMN Cc1ccc(O)c(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000093660756 1129427090 /nfs/dbraw/zinc/42/70/90/1129427090.db2.gz SFCNRSSYPWFHJT-MAUKXSAKSA-N 0 1 297.398 3.663 20 10 CHCDMN CCOCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000741784111 1129452890 /nfs/dbraw/zinc/45/28/90/1129452890.db2.gz GPYIMLRKIMQNGZ-UHFFFAOYSA-N 0 1 277.408 3.563 20 10 CHCDMN CCOCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000741784111 1129452891 /nfs/dbraw/zinc/45/28/91/1129452891.db2.gz GPYIMLRKIMQNGZ-UHFFFAOYSA-N 0 1 277.408 3.563 20 10 CHCDMN Cc1cccc(F)c1C[NH2+]Cc1c([O-])cccc1Cl ZINC000742381038 1129473114 /nfs/dbraw/zinc/47/31/14/1129473114.db2.gz NKGINAWQHWYCSA-UHFFFAOYSA-N 0 1 279.742 3.783 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cc(F)ccc1[O-] ZINC000252814284 1129598018 /nfs/dbraw/zinc/59/80/18/1129598018.db2.gz SUQZTVGAAMNWOX-NQBHXWOUSA-N 0 1 251.345 3.761 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000305467224 1129641457 /nfs/dbraw/zinc/64/14/57/1129641457.db2.gz KPAISPYJPKZXSR-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC000305467224 1129641461 /nfs/dbraw/zinc/64/14/61/1129641461.db2.gz KPAISPYJPKZXSR-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1cc(Br)ccc1C[NH2+]C1CCCCC1 ZINC000691426863 1129754047 /nfs/dbraw/zinc/75/40/47/1129754047.db2.gz LXTAGUWAMMAQLS-UHFFFAOYSA-N 0 1 284.197 3.577 20 10 CHCDMN [O-]c1cc(Br)ccc1C[NH2+]C1CC2(CCC2)C1 ZINC000691441849 1129787472 /nfs/dbraw/zinc/78/74/72/1129787472.db2.gz BORBAGVEIOCUPB-UHFFFAOYSA-N 0 1 296.208 3.577 20 10 CHCDMN Cc1nc([C@H](C)NCCCSc2nccs2)cs1 ZINC000772864541 1131402751 /nfs/dbraw/zinc/40/27/51/1131402751.db2.gz LJZQCLLOXGTABK-VIFPVBQESA-N 0 1 299.490 3.741 20 10 CHCDMN CC[C@@H]([NH2+]CC1(COC)CCC1)c1cc(Cl)ccc1[O-] ZINC000800493072 1129879482 /nfs/dbraw/zinc/87/94/82/1129879482.db2.gz ILCUCHXHYZYJAT-CQSZACIVSA-N 0 1 297.826 3.903 20 10 CHCDMN CCSCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000800492124 1129879830 /nfs/dbraw/zinc/87/98/30/1129879830.db2.gz CAQIFDVUIVGYMQ-SNVBAGLBSA-N 0 1 273.829 3.839 20 10 CHCDMN Oc1c(F)cc(Cl)cc1CN1CCCC[C@H]1C(F)F ZINC000800532991 1129882427 /nfs/dbraw/zinc/88/24/27/1129882427.db2.gz BSRNCTUBKHIEPK-NSHDSACASA-N 0 1 293.716 3.804 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000769328504 1129902209 /nfs/dbraw/zinc/90/22/09/1129902209.db2.gz JBUIZISCSBMMOK-CYBMUJFWSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000769328504 1129902212 /nfs/dbraw/zinc/90/22/12/1129902212.db2.gz JBUIZISCSBMMOK-CYBMUJFWSA-N 0 1 296.208 3.529 20 10 CHCDMN CCOc1ccc(C[N@H+](CC)C[C@@H](C)CC)c([O-])c1 ZINC000769538790 1129916641 /nfs/dbraw/zinc/91/66/41/1129916641.db2.gz WPKNUUHLVMENBR-ZDUSSCGKSA-N 0 1 265.397 3.659 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC)C[C@@H](C)CC)c([O-])c1 ZINC000769538790 1129916644 /nfs/dbraw/zinc/91/66/44/1129916644.db2.gz WPKNUUHLVMENBR-ZDUSSCGKSA-N 0 1 265.397 3.659 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H](C)C1 ZINC000801594986 1129931273 /nfs/dbraw/zinc/93/12/73/1129931273.db2.gz TVTPTSJYNJEVCU-CVEARBPZSA-N 0 1 291.435 3.809 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H](C)C1 ZINC000801594986 1129931275 /nfs/dbraw/zinc/93/12/75/1129931275.db2.gz TVTPTSJYNJEVCU-CVEARBPZSA-N 0 1 291.435 3.809 20 10 CHCDMN Oc1ccccc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000770505369 1129948164 /nfs/dbraw/zinc/94/81/64/1129948164.db2.gz RLXCCXVKKGBTBB-OAHLLOKOSA-N 0 1 273.763 3.993 20 10 CHCDMN Oc1ccccc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000770505368 1129948398 /nfs/dbraw/zinc/94/83/98/1129948398.db2.gz RLXCCXVKKGBTBB-HNNXBMFYSA-N 0 1 273.763 3.993 20 10 CHCDMN Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000770747703 1129958155 /nfs/dbraw/zinc/95/81/55/1129958155.db2.gz CKCYFHJXLPFIFF-LLVKDONJSA-N 0 1 276.767 3.600 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000786160151 1130080828 /nfs/dbraw/zinc/08/08/28/1130080828.db2.gz FIECYCALPRHMRC-UHFFFAOYSA-N 0 1 286.762 3.817 20 10 CHCDMN [O-]c1ccccc1C[N@H+](C[C@@H]1CCSC1)C1CCCC1 ZINC000787164768 1130134948 /nfs/dbraw/zinc/13/49/48/1130134948.db2.gz ODEIZMHEJIONNY-AWEZNQCLSA-N 0 1 291.460 3.890 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCSC1)C1CCCC1 ZINC000787164768 1130134951 /nfs/dbraw/zinc/13/49/51/1130134951.db2.gz ODEIZMHEJIONNY-AWEZNQCLSA-N 0 1 291.460 3.890 20 10 CHCDMN C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000903262954 1130139315 /nfs/dbraw/zinc/13/93/15/1130139315.db2.gz HTPSHOLTVUXEBC-XUJVJEKNSA-N 0 1 297.826 3.637 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cncs1 ZINC000903312136 1130152209 /nfs/dbraw/zinc/15/22/09/1130152209.db2.gz SORDFAGHZXGCKT-DTWKUNHWSA-N 0 1 282.796 3.914 20 10 CHCDMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001462123268 1130198714 /nfs/dbraw/zinc/19/87/14/1130198714.db2.gz ATGXFJBSBPHUES-SKDRFNHKSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001170112114 1130263960 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[O-]c1c(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc2ccccc21 ZINC000825134153 1131499746 /nfs/dbraw/zinc/49/97/46/1131499746.db2.gz WCNPWICGVMIWIQ-IBGZPJMESA-N 0 1 297.398 3.548 20 10 CHCDMN COc1ccc2[nH]cc(C[N@@H+](C)Cc3ccccc3O)c2c1 ZINC001138509893 1131514003 /nfs/dbraw/zinc/51/40/03/1131514003.db2.gz HXIBPJIHNSBGCB-UHFFFAOYSA-N 0 1 296.370 3.514 20 10 CHCDMN Cc1cccc(Cl)c1CN(C)Cc1ccccc1O ZINC001138721616 1131541701 /nfs/dbraw/zinc/54/17/01/1131541701.db2.gz BBKNCGYTRVTINY-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cn1ccc2ccc(C[N@@H+](C)Cc3ccccc3O)cc21 ZINC001139206620 1131596687 /nfs/dbraw/zinc/59/66/87/1131596687.db2.gz GZYKKDNMAZMTGA-UHFFFAOYSA-N 0 1 280.371 3.516 20 10 CHCDMN CCCC[N@@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144298310 1131612790 /nfs/dbraw/zinc/61/27/90/1131612790.db2.gz BDWLJQOKMNZSPY-UHFFFAOYSA-N 0 1 290.176 3.526 20 10 CHCDMN Cc1cc(C[N@H+]2CCc3cc(F)ccc3C2)ccc1N(C)C ZINC001139673820 1131628240 /nfs/dbraw/zinc/62/82/40/1131628240.db2.gz LAWLNKOLAVFXBO-UHFFFAOYSA-N 0 1 298.405 3.758 20 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AKGHFFBFUUZFBD-UHFFFAOYSA-N 0 1 289.394 3.932 20 10 CHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001140055601 1131659885 /nfs/dbraw/zinc/65/98/85/1131659885.db2.gz MISZKXIVVILGOB-MRXNPFEDSA-N 0 1 299.389 3.986 20 10 CHCDMN Cc1ccc(C)c(CN(C)Cc2cccc(F)c2F)c1O ZINC001140184884 1131674489 /nfs/dbraw/zinc/67/44/89/1131674489.db2.gz JLKNHOZRVQMHBY-UHFFFAOYSA-N 0 1 291.341 3.919 20 10 CHCDMN C[C@H]([NH2+]CCCC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834818757 1131707248 /nfs/dbraw/zinc/70/72/48/1131707248.db2.gz OPBSXOWOSNSBFN-LBPRGKRZSA-N 0 1 297.826 3.903 20 10 CHCDMN CC[C@@H](NCc1nccn1CC)c1cc(Cl)ccc1O ZINC000834878422 1131716414 /nfs/dbraw/zinc/71/64/14/1131716414.db2.gz CPAZVKMYXROWGE-CYBMUJFWSA-N 0 1 293.798 3.503 20 10 CHCDMN CC[C@@H]([NH2+]Cc1nccn1CC)c1cc(Cl)ccc1[O-] ZINC000834878422 1131716416 /nfs/dbraw/zinc/71/64/16/1131716416.db2.gz CPAZVKMYXROWGE-CYBMUJFWSA-N 0 1 293.798 3.503 20 10 CHCDMN Cc1cc(C)c([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)c(O)c1 ZINC000834892117 1131720722 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1131750512 /nfs/dbraw/zinc/75/05/12/1131750512.db2.gz QQZRYDAAWASVJX-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN C[N@@H+](CCc1ccccc1F)Cc1ccc(Cl)cc1[O-] ZINC001140464456 1131750518 /nfs/dbraw/zinc/75/05/18/1131750518.db2.gz QQZRYDAAWASVJX-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001140465995 1131750867 /nfs/dbraw/zinc/75/08/67/1131750867.db2.gz XYGZIWSCOFCZBB-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001140465995 1131750875 /nfs/dbraw/zinc/75/08/75/1131750875.db2.gz XYGZIWSCOFCZBB-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001140464318 1131751121 /nfs/dbraw/zinc/75/11/21/1131751121.db2.gz LDJWEXZIIKPJSG-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC001140464318 1131751127 /nfs/dbraw/zinc/75/11/27/1131751127.db2.gz LDJWEXZIIKPJSG-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]1c1ccccc1 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Cc1ccc(CN2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001140950681 1131969640 /nfs/dbraw/zinc/96/96/40/1131969640.db2.gz CKAMTHWVGXLIGZ-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)c(O)c1 ZINC001140955477 1131971108 /nfs/dbraw/zinc/97/11/08/1131971108.db2.gz YWYOZHWAZWOMMF-UHFFFAOYSA-N 0 1 259.393 3.857 20 10 CHCDMN COCC[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000840836237 1132292604 /nfs/dbraw/zinc/29/26/04/1132292604.db2.gz WFBKPPHNFMLGSI-PWSUYJOCSA-N 0 1 285.815 3.677 20 10 CHCDMN C[N@@H+](Cc1ccccc1O)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172724173 1132297358 /nfs/dbraw/zinc/29/73/58/1132297358.db2.gz KVDIQTPUOSOXNQ-MRXNPFEDSA-N 0 1 287.790 3.645 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cc(Cl)ccc1[O-] ZINC000840876149 1132300338 /nfs/dbraw/zinc/30/03/38/1132300338.db2.gz MRKCJJGJKUSSLU-ZWKOPEQDSA-N 0 1 271.763 3.977 20 10 CHCDMN CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001172922624 1132363572 /nfs/dbraw/zinc/36/35/72/1132363572.db2.gz 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[O-]c1c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)ccc2ccccc21 ZINC001231877985 1132388950 /nfs/dbraw/zinc/38/89/50/1132388950.db2.gz CMYLTBQBYVAFLN-GASCZTMLSA-N 0 1 267.372 3.777 20 10 CHCDMN [O-]c1c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccc2ccccc21 ZINC001231877985 1132388957 /nfs/dbraw/zinc/38/89/57/1132388957.db2.gz CMYLTBQBYVAFLN-GASCZTMLSA-N 0 1 267.372 3.777 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)ccc2ccccc21 ZINC001231878801 1132389599 /nfs/dbraw/zinc/38/95/99/1132389599.db2.gz UTRGFOLCMIPYHF-MAUKXSAKSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)ccc2ccccc21 ZINC001231878801 1132389611 /nfs/dbraw/zinc/38/96/11/1132389611.db2.gz UTRGFOLCMIPYHF-MAUKXSAKSA-N 0 1 297.398 3.546 20 10 CHCDMN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC001231883203 1132390002 /nfs/dbraw/zinc/39/00/02/1132390002.db2.gz MLWDTSKPNZXZAC-SJPCQFCGSA-N 0 1 297.398 3.687 20 10 CHCDMN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1[O-] ZINC001231883203 1132390010 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C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC001231911046 1132399397 /nfs/dbraw/zinc/39/93/97/1132399397.db2.gz ZQMPTCGRBROQCL-NEPJUHHUSA-N 0 1 267.800 3.914 20 10 CHCDMN CC[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC001173269551 1132434246 /nfs/dbraw/zinc/43/42/46/1132434246.db2.gz XHPKJESXGIZMAX-GWCFXTLKSA-N 0 1 298.224 3.823 20 10 CHCDMN COc1cc([O-])c(C[N@@H+](CC2CC2)C(C)C)cc1Cl ZINC001232264263 1132444350 /nfs/dbraw/zinc/44/43/50/1132444350.db2.gz GTPVJIKRACVIHV-UHFFFAOYSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCCC3(CCC3)C2)cc1Cl ZINC001232271178 1132447075 /nfs/dbraw/zinc/44/70/75/1132447075.db2.gz PMLSIZGPUYTDAA-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCCC3(CCC3)C2)cc1Cl ZINC001232271178 1132447080 /nfs/dbraw/zinc/44/70/80/1132447080.db2.gz PMLSIZGPUYTDAA-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001173278295 1132453786 /nfs/dbraw/zinc/45/37/86/1132453786.db2.gz 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C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000527925207 330296555 /nfs/dbraw/zinc/29/65/55/330296555.db2.gz IJEZJULSIRSTED-NEPJUHHUSA-N 0 1 283.799 3.513 20 10 CHCDMN COCCC1CC[NH+]([C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000527930919 330297362 /nfs/dbraw/zinc/29/73/62/330297362.db2.gz ACLIKQIIXBGNRD-GFCCVEGCSA-N 0 1 297.826 3.855 20 10 CHCDMN Cc1ncccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000527986175 330298741 /nfs/dbraw/zinc/29/87/41/330298741.db2.gz JLYWXNKRKOJYHO-NSHDSACASA-N 0 1 276.767 3.600 20 10 CHCDMN C[C@@H](N[C@@H](C)c1ncccc1F)c1cc(Cl)ccc1O ZINC000528034937 330302465 /nfs/dbraw/zinc/30/24/65/330302465.db2.gz BYLNUMHRQSZHIA-ZJUUUORDSA-N 0 1 294.757 3.992 20 10 CHCDMN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ncccc2F)c1 ZINC000528034995 330302483 /nfs/dbraw/zinc/30/24/83/330302483.db2.gz CRIVSWUDKRPZMZ-RYUDHWBXSA-N 0 1 274.339 3.647 20 10 CHCDMN CC[C@H](N[C@@H](C)c1ncccc1F)c1ccccc1O ZINC000528036238 330302627 /nfs/dbraw/zinc/30/26/27/330302627.db2.gz QBQOZVYZEZLMGA-FZMZJTMJSA-N 0 1 274.339 3.728 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2nc(C)cs2)cc1 ZINC000126210130 520284170 /nfs/dbraw/zinc/28/41/70/520284170.db2.gz ARRAAYYWVCCRQR-CYBMUJFWSA-N 0 1 289.448 3.758 20 10 CHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000035136786 520908115 /nfs/dbraw/zinc/90/81/15/520908115.db2.gz MQWFRMNIPFAQKJ-AWEZNQCLSA-N 0 1 272.392 3.977 20 10 CHCDMN CN(C)c1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1F ZINC000127462141 522176815 /nfs/dbraw/zinc/17/68/15/522176815.db2.gz CFYYMEHSBAZCSH-QGZVFWFLSA-N 0 1 287.382 3.557 20 10 CHCDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000290432466 522965901 /nfs/dbraw/zinc/96/59/01/522965901.db2.gz LKSMCMIGAAZYGN-OAHLLOKOSA-N 0 1 274.339 3.509 20 10 CHCDMN COCCCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000044655476 523177196 /nfs/dbraw/zinc/17/71/96/523177196.db2.gz ZKRHYCUDAIEEMR-ZDUSSCGKSA-N 0 1 273.376 3.623 20 10 CHCDMN CSCCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000069434185 525484369 /nfs/dbraw/zinc/48/43/69/525484369.db2.gz MGRZXUYJXNSZNG-GFCCVEGCSA-N 0 1 275.417 3.949 20 10 CHCDMN COc1cccc(CN(C)[C@@H](C)c2ccccc2F)c1O ZINC000129727119 525916386 /nfs/dbraw/zinc/91/63/86/525916386.db2.gz UKKXBQMQSSRHHI-LBPRGKRZSA-N 0 1 289.350 3.733 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000289699426 526327184 /nfs/dbraw/zinc/32/71/84/526327184.db2.gz FYMGTIRQDLTLAE-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278366488 526364059 /nfs/dbraw/zinc/36/40/59/526364059.db2.gz KCTUURRCRVTJJJ-SECBINFHSA-N 0 1 293.716 3.820 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278366488 526364064 /nfs/dbraw/zinc/36/40/64/526364064.db2.gz KCTUURRCRVTJJJ-SECBINFHSA-N 0 1 293.716 3.820 20 10 CHCDMN CSCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000069430842 1118572602 /nfs/dbraw/zinc/57/26/02/1118572602.db2.gz APWLSWGVJWJXSV-LLVKDONJSA-N 0 1 261.390 3.559 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])CCC1(F)F ZINC001140461890 1118720462 /nfs/dbraw/zinc/72/04/62/1118720462.db2.gz WZQVLUYPEDOYFO-JTQLQIEISA-N 0 1 289.753 3.913 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])CCC1(F)F ZINC001140461890 1118720463 /nfs/dbraw/zinc/72/04/63/1118720463.db2.gz WZQVLUYPEDOYFO-JTQLQIEISA-N 0 1 289.753 3.913 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000113314198 1125494636 /nfs/dbraw/zinc/49/46/36/1125494636.db2.gz PYNNFTNXQWYWCS-GFCCVEGCSA-N 0 1 276.355 3.644 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000689882078 1120436450 /nfs/dbraw/zinc/43/64/50/1120436450.db2.gz MDZMFWIIDATQAV-LLVKDONJSA-N 0 1 271.763 3.617 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000689882078 1120436453 /nfs/dbraw/zinc/43/64/53/1120436453.db2.gz MDZMFWIIDATQAV-LLVKDONJSA-N 0 1 271.763 3.617 20 10 CHCDMN CC[C@@H]([NH2+]CCCCOC)c1cc(Cl)ccc1[O-] ZINC000775488158 1122616999 /nfs/dbraw/zinc/61/69/99/1122616999.db2.gz MXIVWFNGKPZCIH-CYBMUJFWSA-N 0 1 271.788 3.513 20 10 CHCDMN CC[C@@H](C)N(C)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775501927 1122628680 /nfs/dbraw/zinc/62/86/80/1122628680.db2.gz URDPIWVHSUYVPP-DOMZBBRYSA-N 0 1 298.858 3.817 20 10 CHCDMN C[C@@]1(F)CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000824471820 1131470822 /nfs/dbraw/zinc/47/08/22/1131470822.db2.gz HZUHCQBKUKCREL-CYBMUJFWSA-N 0 1 275.726 3.509 20 10 CHCDMN C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824471820 1131470826 /nfs/dbraw/zinc/47/08/26/1131470826.db2.gz HZUHCQBKUKCREL-CYBMUJFWSA-N 0 1 275.726 3.509 20 10 CHCDMN C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824471820 1131470828 /nfs/dbraw/zinc/47/08/28/1131470828.db2.gz HZUHCQBKUKCREL-CYBMUJFWSA-N 0 1 275.726 3.509 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cc(Cl)ccc1[O-] ZINC000883272206 1125390051 /nfs/dbraw/zinc/39/00/51/1125390051.db2.gz GUADRYDTXROLDW-MPKXVKKWSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)CC1(Cl)Cl ZINC000824765851 1131482416 /nfs/dbraw/zinc/48/24/16/1131482416.db2.gz PTFJLWHPWLRIDQ-LLVKDONJSA-N 0 1 294.609 3.719 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)C)cc1Cl ZINC001231870077 1132385329 /nfs/dbraw/zinc/38/53/29/1132385329.db2.gz IMELNVMFVWQJHT-AWEZNQCLSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C(C)C)cc1Cl ZINC001231870077 1132385337 /nfs/dbraw/zinc/38/53/37/1132385337.db2.gz IMELNVMFVWQJHT-AWEZNQCLSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C(C)C)cc1Cl ZINC001231870077 1132385344 /nfs/dbraw/zinc/38/53/44/1132385344.db2.gz IMELNVMFVWQJHT-AWEZNQCLSA-N 0 1 267.800 3.974 20 10 CHCDMN CO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)(C)C ZINC000841756177 1132391959 /nfs/dbraw/zinc/39/19/59/1132391959.db2.gz USXCGUDSGUMFEM-HZMBPMFUSA-N 0 1 285.815 3.757 20 10 CHCDMN CCC(CC)[N@@H+](CC)Cc1cc(Cl)c(O)cc1[O-] ZINC001232262866 1132444124 /nfs/dbraw/zinc/44/41/24/1132444124.db2.gz UGNUEXRNRWYJOV-UHFFFAOYSA-N 0 1 271.788 3.762 20 10 CHCDMN Cc1csc(C(C)(C)NCc2ccc(N(C)C)cc2)n1 ZINC000116382083 1125510424 /nfs/dbraw/zinc/51/04/24/1125510424.db2.gz LZWHMMHUQUHJCC-UHFFFAOYSA-N 0 1 289.448 3.542 20 10 CHCDMN C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(Cl)cc1[O-] ZINC000886684701 1125709578 /nfs/dbraw/zinc/70/95/78/1125709578.db2.gz QFLWLWIGGHAYPO-VIFPVBQESA-N 0 1 292.766 3.762 20 10 CHCDMN CCC/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684531 1130780079 /nfs/dbraw/zinc/78/00/79/1130780079.db2.gz RFIIQKXMDGHXJJ-PLNGDYQASA-N 0 1 288.174 3.672 20 10 CHCDMN CCc1cnc(CN[C@@H](C)c2c(C)cc(C)cc2O)s1 ZINC000284307307 1126982594 /nfs/dbraw/zinc/98/25/94/1126982594.db2.gz ZALNLEMWUZARDR-LBPRGKRZSA-N 0 1 290.432 3.879 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000797126900 1130964015 /nfs/dbraw/zinc/96/40/15/1130964015.db2.gz BTXXVDMZSOTDGK-XDTLVQLUSA-N 0 1 253.773 3.885 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000797126898 1130964351 /nfs/dbraw/zinc/96/43/51/1130964351.db2.gz BTXXVDMZSOTDGK-TVYUQYBPSA-N 0 1 253.773 3.885 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1O)Cc1cnccc1C ZINC000269594789 1127042152 /nfs/dbraw/zinc/04/21/52/1127042152.db2.gz JDNAIUNCWWSZRZ-UHFFFAOYSA-N 0 1 270.376 3.508 20 10 CHCDMN C[C@@H](NCc1ccc(Cl)o1)c1ccc(N(C)C)cc1 ZINC000698115829 1127083455 /nfs/dbraw/zinc/08/34/55/1127083455.db2.gz JOOBFNGCOITHKS-LLVKDONJSA-N 0 1 278.783 3.850 20 10 CHCDMN Cc1cc([C@H](C)NCc2ccc3c(c2)CCO3)c(C)o1 ZINC000044729992 1127158904 /nfs/dbraw/zinc/15/89/04/1127158904.db2.gz ANKSIFLCQQAFFZ-LBPRGKRZSA-N 0 1 271.360 3.682 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001237809181 1131142475 /nfs/dbraw/zinc/14/24/75/1131142475.db2.gz ZSSBSYKTFYXMKO-SNVBAGLBSA-N 0 1 275.726 3.509 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001237809181 1131142478 /nfs/dbraw/zinc/14/24/78/1131142478.db2.gz ZSSBSYKTFYXMKO-SNVBAGLBSA-N 0 1 275.726 3.509 20 10 CHCDMN Cc1ccc(O)c([C@H](C)N[C@H](C)c2c(F)cncc2F)c1 ZINC000285731454 1127241328 /nfs/dbraw/zinc/24/13/28/1127241328.db2.gz QTYWWSGWYCKREH-WDEREUQCSA-N 0 1 292.329 3.786 20 10 CHCDMN COCCC(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000760894219 1127319625 /nfs/dbraw/zinc/31/96/25/1127319625.db2.gz KCVBADBSHFOUQG-YPMHNXCESA-N 0 1 295.398 3.732 20 10 CHCDMN COC[C@H](CC(C)(C)C)[NH2+]Cc1c([O-])cccc1Cl ZINC001308449206 1127384362 /nfs/dbraw/zinc/38/43/62/1127384362.db2.gz RJXMEXRXWOLVGM-NSHDSACASA-N 0 1 285.815 3.586 20 10 CHCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000226767118 1127422989 /nfs/dbraw/zinc/42/29/89/1127422989.db2.gz LBMRESNWGQMCGQ-SNVBAGLBSA-N 0 1 298.224 3.823 20 10 CHCDMN C[C@@H]([NH2+]Cc1ccoc1)c1ccc2ccccc2c1[O-] ZINC000168737666 1127464280 /nfs/dbraw/zinc/46/42/80/1127464280.db2.gz BGCKPCFTPRVPSI-GFCCVEGCSA-N 0 1 267.328 3.989 20 10 CHCDMN C[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000293678744 1127512204 /nfs/dbraw/zinc/51/22/04/1127512204.db2.gz NBQNIBYHFMFXAZ-QMMMGPOBSA-N 0 1 275.726 3.742 20 10 CHCDMN Cc1ccoc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000293785212 1127520358 /nfs/dbraw/zinc/52/03/58/1127520358.db2.gz UCKJTQLOJFWVPT-JTQLQIEISA-N 0 1 265.740 3.798 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000228598927 1127569770 /nfs/dbraw/zinc/56/97/70/1127569770.db2.gz AJDQWRFASVJKTE-SNVBAGLBSA-N 0 1 271.788 3.531 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000228598927 1127569773 /nfs/dbraw/zinc/56/97/73/1127569773.db2.gz AJDQWRFASVJKTE-SNVBAGLBSA-N 0 1 271.788 3.531 20 10 CHCDMN Cc1ncsc1CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000296640929 1127680383 /nfs/dbraw/zinc/68/03/83/1127680383.db2.gz YARGXENFALQBRD-SECBINFHSA-N 0 1 296.823 3.704 20 10 CHCDMN CSCCCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000229517937 1127692737 /nfs/dbraw/zinc/69/27/37/1127692737.db2.gz JBMPBPIILBKMTI-UHFFFAOYSA-N 0 1 273.829 3.669 20 10 CHCDMN C[C@H]([NH2+]CCc1nccs1)c1ccc2ccccc2c1[O-] ZINC000063133431 1127797933 /nfs/dbraw/zinc/79/79/33/1127797933.db2.gz DMICIVVYILQBJO-LBPRGKRZSA-N 0 1 298.411 3.895 20 10 CHCDMN C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451834 1127967466 /nfs/dbraw/zinc/96/74/66/1127967466.db2.gz AUNPPORSOKOUSR-CYBMUJFWSA-N 0 1 291.288 3.735 20 10 CHCDMN C[C@@]1(F)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451834 1127967469 /nfs/dbraw/zinc/96/74/69/1127967469.db2.gz AUNPPORSOKOUSR-CYBMUJFWSA-N 0 1 291.288 3.735 20 10 CHCDMN C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451834 1127967473 /nfs/dbraw/zinc/96/74/73/1127967473.db2.gz AUNPPORSOKOUSR-CYBMUJFWSA-N 0 1 291.288 3.735 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000252151798 1128115608 /nfs/dbraw/zinc/11/56/08/1128115608.db2.gz MPKSUGGPLSTEDZ-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000252151798 1128115609 /nfs/dbraw/zinc/11/56/09/1128115609.db2.gz MPKSUGGPLSTEDZ-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000252178072 1128129162 /nfs/dbraw/zinc/12/91/62/1128129162.db2.gz PKNQACNRWZBPEN-MNOVXSKESA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000252178072 1128129164 /nfs/dbraw/zinc/12/91/64/1128129164.db2.gz PKNQACNRWZBPEN-MNOVXSKESA-N 0 1 253.773 3.666 20 10 CHCDMN Clc1ccc(-c2n[nH]c(Sc3nccs3)n2)cc1 ZINC000914862854 1128255610 /nfs/dbraw/zinc/25/56/10/1128255610.db2.gz UBIFCFIEKHKWPQ-UHFFFAOYSA-N 0 1 294.792 3.733 20 10 CHCDMN CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000927133369 1128221234 /nfs/dbraw/zinc/22/12/34/1128221234.db2.gz CITJDOIEFNMLMQ-SECBINFHSA-N 0 1 294.782 3.755 20 10 CHCDMN C[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1F ZINC000777967748 1128352194 /nfs/dbraw/zinc/35/21/94/1128352194.db2.gz ZAMAMLSNMCDXTO-BXUZGUMPSA-N 0 1 295.398 3.575 20 10 CHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000779021058 1128684528 /nfs/dbraw/zinc/68/45/28/1128684528.db2.gz QQOZUANLJKSUFP-QGZVFWFLSA-N 0 1 275.367 3.854 20 10 CHCDMN CC1CCC(C)([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000779075704 1128719672 /nfs/dbraw/zinc/71/96/72/1128719672.db2.gz YTFVQIWZDBQCNQ-UHFFFAOYSA-N 0 1 251.345 3.590 20 10 CHCDMN CCc1nc(CN[C@H](C)c2cc(C)ccc2O)cs1 ZINC000185397078 1117819860 /nfs/dbraw/zinc/81/98/60/1117819860.db2.gz GEBNBUUIQQDDGL-LLVKDONJSA-N 0 1 276.405 3.570 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000748084892 1117940272 /nfs/dbraw/zinc/94/02/72/1117940272.db2.gz XXLMGULHIUEDQS-CYBMUJFWSA-N 0 1 270.376 3.562 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000748084892 1117940274 /nfs/dbraw/zinc/94/02/74/1117940274.db2.gz XXLMGULHIUEDQS-CYBMUJFWSA-N 0 1 270.376 3.562 20 10 CHCDMN CC(C)SCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000806167743 1118025461 /nfs/dbraw/zinc/02/54/61/1118025461.db2.gz IEIJSOHLXYLULJ-JTQLQIEISA-N 0 1 273.829 3.838 20 10 CHCDMN C[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000211433305 1118029975 /nfs/dbraw/zinc/02/99/75/1118029975.db2.gz DVQCITIBAWBIHS-LLVKDONJSA-N 0 1 253.773 3.810 20 10 CHCDMN C[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000211433305 1118029979 /nfs/dbraw/zinc/02/99/79/1118029979.db2.gz DVQCITIBAWBIHS-LLVKDONJSA-N 0 1 253.773 3.810 20 10 CHCDMN Cc1cccc(CN2CCc3[nH]c4ccccc4c3C2)c1O ZINC000179643049 1128752058 /nfs/dbraw/zinc/75/20/58/1128752058.db2.gz CSBXJIUEUMGZLO-UHFFFAOYSA-N 0 1 292.382 3.740 20 10 CHCDMN Cc1cc(CN2CCO[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000765098291 1118134887 /nfs/dbraw/zinc/13/48/87/1118134887.db2.gz GITHWOWKYGYYHN-KBPBESRZSA-N 0 1 291.435 3.607 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000180101962 1128774637 /nfs/dbraw/zinc/77/46/37/1128774637.db2.gz RDYQEPHMFVTKHG-UHFFFAOYSA-N 0 1 260.164 3.683 20 10 CHCDMN Oc1ccccc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000092866769 1118496721 /nfs/dbraw/zinc/49/67/21/1118496721.db2.gz NYHMIWWFGKENJQ-UHFFFAOYSA-N 0 1 271.360 3.930 20 10 CHCDMN CCCCC[N@H+](C)Cc1c([O-])cccc1Br ZINC000707142466 1118648853 /nfs/dbraw/zinc/64/88/53/1118648853.db2.gz IVIWXWCWJGISMH-UHFFFAOYSA-N 0 1 286.213 3.777 20 10 CHCDMN CCCCC[N@@H+](C)Cc1c([O-])cccc1Br ZINC000707142466 1118648856 /nfs/dbraw/zinc/64/88/56/1118648856.db2.gz IVIWXWCWJGISMH-UHFFFAOYSA-N 0 1 286.213 3.777 20 10 CHCDMN CCC(CC)[N@H+](C)Cc1c([O-])cccc1Br ZINC000707142863 1118649057 /nfs/dbraw/zinc/64/90/57/1118649057.db2.gz KGYHCOWZIMLNTM-UHFFFAOYSA-N 0 1 286.213 3.775 20 10 CHCDMN CCC(CC)[N@@H+](C)Cc1c([O-])cccc1Br ZINC000707142863 1118649059 /nfs/dbraw/zinc/64/90/59/1118649059.db2.gz KGYHCOWZIMLNTM-UHFFFAOYSA-N 0 1 286.213 3.775 20 10 CHCDMN CC(C)[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707152894 1118651140 /nfs/dbraw/zinc/65/11/40/1118651140.db2.gz QTVQNQMVRDTYLH-ZDUSSCGKSA-N 0 1 298.224 3.775 20 10 CHCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707152894 1118651142 /nfs/dbraw/zinc/65/11/42/1118651142.db2.gz QTVQNQMVRDTYLH-ZDUSSCGKSA-N 0 1 298.224 3.775 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001140461596 1118719541 /nfs/dbraw/zinc/71/95/41/1118719541.db2.gz NDGMTBCEEUTRIS-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001140461596 1118719544 /nfs/dbraw/zinc/71/95/44/1118719544.db2.gz NDGMTBCEEUTRIS-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC001140463216 1118722941 /nfs/dbraw/zinc/72/29/41/1118722941.db2.gz WAKSOFQNLFZHQQ-UHFFFAOYSA-N 0 1 295.810 3.579 20 10 CHCDMN CCC[N@@H+](CCOCc1ccccc1)Cc1ccccc1O ZINC001167521889 1118986172 /nfs/dbraw/zinc/98/61/72/1118986172.db2.gz MADOGPHNCHVGRC-UHFFFAOYSA-N 0 1 299.414 3.821 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C[C@H]1C ZINC001140582932 1119148379 /nfs/dbraw/zinc/14/83/79/1119148379.db2.gz PWMMAOURNXFHKK-WDEREUQCSA-N 0 1 269.335 3.538 20 10 CHCDMN Cc1ccc(O)c(CN2CCc3cc(Cl)ccc3C2)c1 ZINC001140623622 1119295105 /nfs/dbraw/zinc/29/51/05/1119295105.db2.gz YLVRWCOBOYKJST-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN CC(C)C1(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000227833573 1119308758 /nfs/dbraw/zinc/30/87/58/1119308758.db2.gz VQKXNQXOXHJPQC-UHFFFAOYSA-N 0 1 298.224 3.681 20 10 CHCDMN C[C@@H](c1nc2ccccc2o1)N(C)Cc1ccccc1O ZINC000181171246 1128840945 /nfs/dbraw/zinc/84/09/45/1128840945.db2.gz ZPEUKKCVZVFEMP-LBPRGKRZSA-N 0 1 282.343 3.726 20 10 CHCDMN C[C@@H](N[C@H](C)c1ccc(Cl)cc1O)c1cscn1 ZINC000850512209 1119963505 /nfs/dbraw/zinc/96/35/05/1119963505.db2.gz YGEJJQOOLYLYMB-RKDXNWHRSA-N 0 1 282.796 3.914 20 10 CHCDMN C[C@@H]([NH2+]CCCCF)c1cc(Br)ccc1[O-] ZINC000309475625 1120303043 /nfs/dbraw/zinc/30/30/43/1120303043.db2.gz RVXILUIXUSCUOP-SECBINFHSA-N 0 1 290.176 3.555 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000756562052 1120522709 /nfs/dbraw/zinc/52/27/09/1120522709.db2.gz FDLFNUPBRMQHTJ-JSGCOSHPSA-N 0 1 285.362 3.912 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000756562051 1120523046 /nfs/dbraw/zinc/52/30/46/1120523046.db2.gz FDLFNUPBRMQHTJ-GXTWGEPZSA-N 0 1 285.362 3.912 20 10 CHCDMN CCCCN(Cc1nc(C)cs1)Cc1ccccc1O ZINC000282461858 1120689202 /nfs/dbraw/zinc/68/92/02/1120689202.db2.gz MWIKMKXNCRKOFA-UHFFFAOYSA-N 0 1 290.432 3.959 20 10 CHCDMN CCN(CC)c1ccc(CNCc2ccc(C)c(C)n2)cc1 ZINC000313948881 1120822291 /nfs/dbraw/zinc/82/22/91/1120822291.db2.gz PMGQLKWZVATAET-UHFFFAOYSA-N 0 1 297.446 3.834 20 10 CHCDMN CCN(CC)c1ccc(CNCc2ccccc2F)cc1 ZINC000020545940 1120894652 /nfs/dbraw/zinc/89/46/52/1120894652.db2.gz OZFBBQZXDKOBHW-UHFFFAOYSA-N 0 1 286.394 3.962 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000228557391 1120969705 /nfs/dbraw/zinc/96/97/05/1120969705.db2.gz CNILKSJFFKQRKM-OLZOCXBDSA-N 0 1 287.428 3.949 20 10 CHCDMN CC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000399369839 1120982406 /nfs/dbraw/zinc/98/24/06/1120982406.db2.gz UONCVXLDNQGZQD-AWEZNQCLSA-N 0 1 253.773 3.668 20 10 CHCDMN CC[C@@]1(C)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000399369839 1120982408 /nfs/dbraw/zinc/98/24/08/1120982408.db2.gz UONCVXLDNQGZQD-AWEZNQCLSA-N 0 1 253.773 3.668 20 10 CHCDMN CC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000399369839 1120982409 /nfs/dbraw/zinc/98/24/09/1120982409.db2.gz UONCVXLDNQGZQD-AWEZNQCLSA-N 0 1 253.773 3.668 20 10 CHCDMN COC[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(C)C ZINC000086683216 1121029872 /nfs/dbraw/zinc/02/98/72/1121029872.db2.gz AUHJOALZCLSJEZ-SUMWQHHRSA-N 0 1 287.403 3.867 20 10 CHCDMN CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000773425722 1121090697 /nfs/dbraw/zinc/09/06/97/1121090697.db2.gz BMDYHNXHBVIGAY-LLVKDONJSA-N 0 1 290.794 3.854 20 10 CHCDMN CCCC[N@H+](CC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228562357 1121188444 /nfs/dbraw/zinc/18/84/44/1121188444.db2.gz PWCPTUNHCMTQQY-UHFFFAOYSA-N 0 1 271.788 3.676 20 10 CHCDMN CCCC[N@@H+](CC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228562357 1121188448 /nfs/dbraw/zinc/18/84/48/1121188448.db2.gz PWCPTUNHCMTQQY-UHFFFAOYSA-N 0 1 271.788 3.676 20 10 CHCDMN Oc1c(CNc2ccc(F)c(F)c2)ccc(F)c1F ZINC000703340416 1121246737 /nfs/dbraw/zinc/24/67/37/1121246737.db2.gz IZKBRMLQRUNPRF-UHFFFAOYSA-N 0 1 271.213 3.561 20 10 CHCDMN CCc1cc(CN[C@H](CC)c2ccc(N(C)C)cc2)on1 ZINC000766133931 1121301494 /nfs/dbraw/zinc/30/14/94/1121301494.db2.gz FNWGHVPGRNKICW-QGZVFWFLSA-N 0 1 287.407 3.544 20 10 CHCDMN Cc1ccoc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000274789061 1121391197 /nfs/dbraw/zinc/39/11/97/1121391197.db2.gz MBCQDBFSZOZTBF-ZDUSSCGKSA-N 0 1 258.365 3.505 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001137837760 1121405417 /nfs/dbraw/zinc/40/54/17/1121405417.db2.gz TWZDCFPZOYRIAL-MRXNPFEDSA-N 0 1 271.335 3.868 20 10 CHCDMN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000708485198 1121468692 /nfs/dbraw/zinc/46/86/92/1121468692.db2.gz JDPQWOXHOPUFNO-MRXNPFEDSA-N 0 1 259.393 3.937 20 10 CHCDMN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000708485198 1121468696 /nfs/dbraw/zinc/46/86/96/1121468696.db2.gz JDPQWOXHOPUFNO-MRXNPFEDSA-N 0 1 259.393 3.937 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCC(C)(C)C)c(Cl)c1 ZINC001177231214 1121719549 /nfs/dbraw/zinc/71/95/49/1121719549.db2.gz GGXHGKRERQJBIW-UHFFFAOYSA-N 0 1 255.789 3.880 20 10 CHCDMN CCC[C@H](C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC001179468950 1121881879 /nfs/dbraw/zinc/88/18/79/1121881879.db2.gz VCPBBFHLMRNJLX-NSHDSACASA-N 0 1 255.789 3.962 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCC(C)(C)O2)c(Cl)c1 ZINC001179740363 1121904934 /nfs/dbraw/zinc/90/49/34/1121904934.db2.gz MLPQHNUJCIRWBS-LBPRGKRZSA-N 0 1 297.826 3.791 20 10 CHCDMN Cc1cccc2[nH]c(C[N@H+](C)Cc3ccccc3O)cc21 ZINC001180239340 1121968036 /nfs/dbraw/zinc/96/80/36/1121968036.db2.gz IJZRMTROJWLMJD-UHFFFAOYSA-N 0 1 280.371 3.814 20 10 CHCDMN CC(C)[C@@H](C)[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC001180478910 1121988811 /nfs/dbraw/zinc/98/88/11/1121988811.db2.gz DVXLPGXRJFDDSR-SNVBAGLBSA-N 0 1 269.335 3.679 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1(C)C ZINC001180672165 1122004820 /nfs/dbraw/zinc/00/48/20/1122004820.db2.gz GKYYTSLABQOROL-SNVBAGLBSA-N 0 1 269.335 3.538 20 10 CHCDMN CC1CC(C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC001183035686 1122200814 /nfs/dbraw/zinc/20/08/14/1122200814.db2.gz IUMQUONOLVTBEP-UHFFFAOYSA-N 0 1 255.361 3.681 20 10 CHCDMN Cc1csc([C@H](C)C[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000273341143 1122229029 /nfs/dbraw/zinc/22/90/29/1122229029.db2.gz AJBITWQWJLLRIB-SECBINFHSA-N 0 1 296.823 3.704 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000273491819 1122236254 /nfs/dbraw/zinc/23/62/54/1122236254.db2.gz OKIKZCKABGZJPX-AAEUAGOBSA-N 0 1 295.810 3.798 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc2ccccc2c1[O-] ZINC000319798472 1122411684 /nfs/dbraw/zinc/41/16/84/1122411684.db2.gz ANXLDSVOVFWBLO-SQWLQELKSA-N 0 1 299.414 3.747 20 10 CHCDMN CC[C@@H]([NH2+]Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775483073 1122615123 /nfs/dbraw/zinc/61/51/23/1122615123.db2.gz JQUYAYIEONBTCK-CYBMUJFWSA-N 0 1 265.740 3.880 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCCN1CC)c1cc(Cl)ccc1[O-] ZINC000775482815 1122615344 /nfs/dbraw/zinc/61/53/44/1122615344.db2.gz CCIOFTJAYDIHGF-ZFWWWQNUSA-N 0 1 296.842 3.571 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000775488560 1122620151 /nfs/dbraw/zinc/62/01/51/1122620151.db2.gz IZBFUZIMWYLEGE-CWSCBRNRSA-N 0 1 253.773 3.742 20 10 CHCDMN CC[C@@H]([NH2+]CCCCCOC)c1cc(Cl)ccc1[O-] ZINC000775497139 1122626840 /nfs/dbraw/zinc/62/68/40/1122626840.db2.gz NBYVFDOEZJYOGG-CQSZACIVSA-N 0 1 285.815 3.903 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)CN(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775498053 1122626877 /nfs/dbraw/zinc/62/68/77/1122626877.db2.gz GNGOBCVSVMHQGO-IUODEOHRSA-N 0 1 298.858 3.817 20 10 CHCDMN CC[C@H](C)N(C)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775501948 1122628880 /nfs/dbraw/zinc/62/88/80/1122628880.db2.gz URDPIWVHSUYVPP-WFASDCNBSA-N 0 1 298.858 3.817 20 10 CHCDMN CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503609 1122631611 /nfs/dbraw/zinc/63/16/11/1122631611.db2.gz KSEDVZKPZXCNHT-WPGHFRTFSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@H]([NH2+]Cc1ccc(F)cn1)c1cc(Cl)ccc1[O-] ZINC000775513403 1122632097 /nfs/dbraw/zinc/63/20/97/1122632097.db2.gz IDPVAQQODGDXKY-AWEZNQCLSA-N 0 1 294.757 3.821 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775514392 1122635796 /nfs/dbraw/zinc/63/57/96/1122635796.db2.gz USSYYNJNVLJBQC-NHYWBVRUSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Cl)ccc1[O-] ZINC000775522933 1122639742 /nfs/dbraw/zinc/63/97/42/1122639742.db2.gz BYHGELQOQKIYFD-TVQRCGJNSA-N 0 1 279.771 3.571 20 10 CHCDMN CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1cc(Cl)ccc1[O-] ZINC000775524924 1122641748 /nfs/dbraw/zinc/64/17/48/1122641748.db2.gz CTXHIXYCCDHGLL-GXTWGEPZSA-N 0 1 285.815 3.637 20 10 CHCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc(C)cs2)c1 ZINC000080273394 1129079984 /nfs/dbraw/zinc/07/99/84/1129079984.db2.gz IIBXYNQPVZSJSB-QWRGUYRKSA-N 0 1 292.404 3.578 20 10 CHCDMN Cc1csc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000080272826 1129079590 /nfs/dbraw/zinc/07/95/90/1129079590.db2.gz DDHUNIYPNQKNLI-CHWSQXEVSA-N 0 1 289.448 3.929 20 10 CHCDMN CCC[C@H](C)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000775642083 1122849990 /nfs/dbraw/zinc/84/99/90/1122849990.db2.gz AIWCGKFZDZKXTQ-RDJZCZTQSA-N 0 1 291.435 3.809 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCc2sccc2C1 ZINC000775647836 1122856596 /nfs/dbraw/zinc/85/65/96/1122856596.db2.gz CJNFZIRUUCEPDT-UHFFFAOYSA-N 0 1 297.782 3.805 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCc2sccc2C1 ZINC000775647836 1122856597 /nfs/dbraw/zinc/85/65/97/1122856597.db2.gz CJNFZIRUUCEPDT-UHFFFAOYSA-N 0 1 297.782 3.805 20 10 CHCDMN Oc1c(F)cc(Cl)cc1CN1CCc2sccc2C1 ZINC000775647836 1122856602 /nfs/dbraw/zinc/85/66/02/1122856602.db2.gz CJNFZIRUUCEPDT-UHFFFAOYSA-N 0 1 297.782 3.805 20 10 CHCDMN C[C@@H](C1CC1)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775653246 1122868502 /nfs/dbraw/zinc/86/85/02/1122868502.db2.gz BAJHAPJSPPNCIC-VIFPVBQESA-N 0 1 283.774 3.948 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000775726631 1122927263 /nfs/dbraw/zinc/92/72/63/1122927263.db2.gz YEYKQEXWWVSFGM-HNNXBMFYSA-N 0 1 287.790 3.863 20 10 CHCDMN CN(C)c1ccc(CNCc2cscc2Cl)cc1F ZINC000776115476 1123061303 /nfs/dbraw/zinc/06/13/03/1123061303.db2.gz XSEHKVFFPIDCCQ-UHFFFAOYSA-N 0 1 298.814 3.896 20 10 CHCDMN C[N@H+](Cc1c([O-])ccc2ccccc21)C1CCCC1 ZINC000105993657 1123096163 /nfs/dbraw/zinc/09/61/63/1123096163.db2.gz VWELODQCARVCRY-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)C1CCCC1 ZINC000105993657 1123096168 /nfs/dbraw/zinc/09/61/68/1123096168.db2.gz VWELODQCARVCRY-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOC1CCCCCC1 ZINC000776175090 1123102425 /nfs/dbraw/zinc/10/24/25/1123102425.db2.gz HBGKVAGOEVHUIY-UHFFFAOYSA-N 0 1 297.826 3.875 20 10 CHCDMN COC[C@H]1CCCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825536687 1123221660 /nfs/dbraw/zinc/22/16/60/1123221660.db2.gz LHYYMPVRSDDNLB-ZDUSSCGKSA-N 0 1 297.826 3.603 20 10 CHCDMN COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825536687 1123221662 /nfs/dbraw/zinc/22/16/62/1123221662.db2.gz LHYYMPVRSDDNLB-ZDUSSCGKSA-N 0 1 297.826 3.603 20 10 CHCDMN C[C@@H]([NH2+]CCc1cccnc1)c1ccc2ccccc2c1[O-] ZINC000193709813 1129107198 /nfs/dbraw/zinc/10/71/98/1129107198.db2.gz QHAHMBGKBWVZDZ-CQSZACIVSA-N 0 1 292.382 3.834 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c(Cl)c1 ZINC000850394523 1123261926 /nfs/dbraw/zinc/26/19/26/1123261926.db2.gz VMNQOIVCYYSYDI-GFCCVEGCSA-N 0 1 289.753 3.735 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000850481925 1123273132 /nfs/dbraw/zinc/27/31/32/1123273132.db2.gz OQJJSJLLFSBDFI-YPMHNXCESA-N 0 1 296.842 3.569 20 10 CHCDMN C[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cscn1 ZINC000850511486 1123278049 /nfs/dbraw/zinc/27/80/49/1123278049.db2.gz GELYEKZPUOCOAT-YWVKMMECSA-N 0 1 292.379 3.887 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(Cl)ccc1[O-] ZINC000850535311 1123286759 /nfs/dbraw/zinc/28/67/59/1123286759.db2.gz UWDPDLVNEVRBLC-NQBHXWOUSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@@H]([NH2+]CCCc1ccco1)c1cc(Cl)ccc1[O-] ZINC000850569402 1123294084 /nfs/dbraw/zinc/29/40/84/1123294084.db2.gz CSQSKLQOMSZKII-LLVKDONJSA-N 0 1 279.767 3.922 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000273534636 1129126543 /nfs/dbraw/zinc/12/65/43/1129126543.db2.gz XECQLVUGNYPRIW-IPYPFGDCSA-N 0 1 285.387 3.764 20 10 CHCDMN C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000020551999 1123648139 /nfs/dbraw/zinc/64/81/39/1123648139.db2.gz VWRLTNOVDQSWPU-GFCCVEGCSA-N 0 1 275.779 3.939 20 10 CHCDMN Oc1ccc(Cl)cc1CN1CCc2ccsc2C1 ZINC000127062318 1123690513 /nfs/dbraw/zinc/69/05/13/1123690513.db2.gz UAKQHKZGKWIGLO-UHFFFAOYSA-N 0 1 279.792 3.665 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCc2ccsc2C1 ZINC000127062318 1123690517 /nfs/dbraw/zinc/69/05/17/1123690517.db2.gz UAKQHKZGKWIGLO-UHFFFAOYSA-N 0 1 279.792 3.665 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCc2ccsc2C1 ZINC000127062318 1123690521 /nfs/dbraw/zinc/69/05/21/1123690521.db2.gz UAKQHKZGKWIGLO-UHFFFAOYSA-N 0 1 279.792 3.665 20 10 CHCDMN CN(C)c1ccc(/C=C\CN2CC(Cc3ccco3)C2)cc1 ZINC000862487158 1123814257 /nfs/dbraw/zinc/81/42/57/1123814257.db2.gz NNCPCZFUAIJKCA-HYXAFXHYSA-N 0 1 296.414 3.533 20 10 CHCDMN CCc1ccc(CNCc2c(C)c3ccccc3n2C)o1 ZINC000475196058 1123821305 /nfs/dbraw/zinc/82/13/05/1123821305.db2.gz YMJLAYIVRWSDMC-UHFFFAOYSA-N 0 1 282.387 3.932 20 10 CHCDMN CC[C@H]([NH2+]C[C@H](C)CCOC)c1cc(Cl)ccc1[O-] ZINC000840836224 1123838172 /nfs/dbraw/zinc/83/81/72/1123838172.db2.gz VWEFAKUCUYVICX-RISCZKNCSA-N 0 1 285.815 3.759 20 10 CHCDMN Oc1c(CNc2cccc3cccnc32)ccc(F)c1F ZINC000864018608 1123909844 /nfs/dbraw/zinc/90/98/44/1123909844.db2.gz ZBPNPXRXRGXSTJ-UHFFFAOYSA-N 0 1 286.281 3.831 20 10 CHCDMN Cc1ccc(CNCc2c(O)cc(C)cc2Cl)o1 ZINC000865723974 1124007862 /nfs/dbraw/zinc/00/78/62/1124007862.db2.gz YITBCPQJIJXHNT-UHFFFAOYSA-N 0 1 265.740 3.545 20 10 CHCDMN Cc1ccc(O)c(CN[C@H](CF)c2ccc(F)cc2)c1 ZINC000865823074 1124017685 /nfs/dbraw/zinc/01/76/85/1124017685.db2.gz RGTHMEVZNLNUEQ-OAHLLOKOSA-N 0 1 277.314 3.640 20 10 CHCDMN C[C@H]([NH2+]CC[C@@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000866403497 1124063823 /nfs/dbraw/zinc/06/38/23/1124063823.db2.gz QOIZZLQBUPBFNZ-WDEREUQCSA-N 0 1 285.840 3.839 20 10 CHCDMN CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1cc(Cl)ccc1[O-] ZINC000866472562 1124069009 /nfs/dbraw/zinc/06/90/09/1124069009.db2.gz BDYDOCYDHLGPCC-CYBMUJFWSA-N 0 1 294.757 3.821 20 10 CHCDMN COC(C)(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000866504170 1124073830 /nfs/dbraw/zinc/07/38/30/1124073830.db2.gz AETUDMDJWXUIJJ-JTQLQIEISA-N 0 1 271.788 3.511 20 10 CHCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccco1 ZINC000122758315 1124529125 /nfs/dbraw/zinc/52/91/25/1124529125.db2.gz CNVNMLJILBYMMV-ZDUSSCGKSA-N 0 1 258.365 3.505 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000310780064 1124910272 /nfs/dbraw/zinc/91/02/72/1124910272.db2.gz FIHOWEZFWVXIMA-RYUDHWBXSA-N 0 1 265.784 3.668 20 10 CHCDMN CCc1nc(C)c(CNCc2cc(Cl)c(C)cc2O)o1 ZINC000825992148 1125063124 /nfs/dbraw/zinc/06/31/24/1125063124.db2.gz SAYTYOXMIRHJAH-UHFFFAOYSA-N 0 1 294.782 3.503 20 10 CHCDMN CCOc1cccc(F)c1CN[C@H](C)c1ccccc1O ZINC000877757814 1125074588 /nfs/dbraw/zinc/07/45/88/1125074588.db2.gz WBTZNIWNBFBLME-GFCCVEGCSA-N 0 1 289.350 3.781 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000211470078 1125306348 /nfs/dbraw/zinc/30/63/48/1125306348.db2.gz XOXFXVWVMDAPGB-RISCZKNCSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000211470078 1125306351 /nfs/dbraw/zinc/30/63/51/1125306351.db2.gz XOXFXVWVMDAPGB-RISCZKNCSA-N 0 1 265.784 3.810 20 10 CHCDMN C[C@@H](c1ccco1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000131066122 1125373198 /nfs/dbraw/zinc/37/31/98/1125373198.db2.gz XPIHOVLKKGRNRC-LBPRGKRZSA-N 0 1 276.355 3.678 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCCOC1 ZINC000883353586 1125400202 /nfs/dbraw/zinc/40/02/02/1125400202.db2.gz XXEWIPKXASMTEJ-JMSVASOKSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[N@@H+](Cc1cccc(Br)c1[O-])C1CCCC1 ZINC000132156491 1125415223 /nfs/dbraw/zinc/41/52/23/1125415223.db2.gz BMRQGXOLMODYEY-UHFFFAOYSA-N 0 1 298.224 3.919 20 10 CHCDMN C[C@H](F)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000378855574 1129283862 /nfs/dbraw/zinc/28/38/62/1129283862.db2.gz 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C[C@]1(CF)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231879668 1132389928 /nfs/dbraw/zinc/38/99/28/1132389928.db2.gz MZSVACGCKVMYGW-QGZVFWFLSA-N 0 1 273.351 3.727 20 10 CHCDMN [O-]c1c(C[NH+]2CC3(C2)CCCC3)ccc2ccccc21 ZINC001231879940 1132390408 /nfs/dbraw/zinc/39/04/08/1132390408.db2.gz XMQMEYQURXKTBX-UHFFFAOYSA-N 0 1 267.372 3.921 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cncc(F)c1 ZINC000841752763 1132392497 /nfs/dbraw/zinc/39/24/97/1132392497.db2.gz HRZDLWUVEIUBNI-UWVGGRQHSA-N 0 1 294.757 3.992 20 10 CHCDMN CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841756513 1132393057 /nfs/dbraw/zinc/39/30/57/1132393057.db2.gz WNNVADQODZLWHW-UVWXRNBGSA-N 0 1 297.826 3.900 20 10 CHCDMN C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(Cl)cc1[O-] ZINC000841758979 1132394660 /nfs/dbraw/zinc/39/46/60/1132394660.db2.gz WLQLESLBKIVNJL-MRVPVSSYSA-N 0 1 263.715 3.742 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001231911825 1132398675 /nfs/dbraw/zinc/39/86/75/1132398675.db2.gz OCRIJFDRJXIQNR-SNVBAGLBSA-N 0 1 275.726 3.523 20 10 CHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])Cc1cccc(F)c1F ZINC001231914590 1132399078 /nfs/dbraw/zinc/39/90/78/1132399078.db2.gz POQCWPOKPBJBRI-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1C ZINC001142530310 1132404934 /nfs/dbraw/zinc/40/49/34/1132404934.db2.gz CNWDRRRCEPUJNE-UHFFFAOYSA-N 0 1 291.341 3.919 20 10 CHCDMN CCC(CC)[N@H+](CC)Cc1cc(Cl)c(O)cc1[O-] ZINC001232262866 1132444118 /nfs/dbraw/zinc/44/41/18/1132444118.db2.gz UGNUEXRNRWYJOV-UHFFFAOYSA-N 0 1 271.788 3.762 20 10 CHCDMN COc1cc([O-])c(C[N@H+](C)Cc2ccccc2)cc1Cl ZINC001232263640 1132445162 /nfs/dbraw/zinc/44/51/62/1132445162.db2.gz CARHQDXOWPLHSQ-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN COc1cc([O-])c(C[N@@H+](C)Cc2ccccc2)cc1Cl ZINC001232263640 1132445166 /nfs/dbraw/zinc/44/51/66/1132445166.db2.gz CARHQDXOWPLHSQ-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269871 1132446984 /nfs/dbraw/zinc/44/69/84/1132446984.db2.gz LNFGNGMVTAFWNY-LBPRGKRZSA-N 0 1 283.799 3.819 20 10 CHCDMN CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269871 1132446988 /nfs/dbraw/zinc/44/69/88/1132446988.db2.gz LNFGNGMVTAFWNY-LBPRGKRZSA-N 0 1 283.799 3.819 20 10 CHCDMN COc1cc([O-])c(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1Cl ZINC001232266590 1132447595 /nfs/dbraw/zinc/44/75/95/1132447595.db2.gz PLWHVYIKGYPSHS-RYUDHWBXSA-N 0 1 295.810 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)cc1Cl ZINC001232264947 1132447618 /nfs/dbraw/zinc/44/76/18/1132447618.db2.gz PDNGOFVVJKSUEY-MNOVXSKESA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1Cl ZINC001232264947 1132447620 /nfs/dbraw/zinc/44/76/20/1132447620.db2.gz PDNGOFVVJKSUEY-MNOVXSKESA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)cc1Cl ZINC001232267102 1132447706 /nfs/dbraw/zinc/44/77/06/1132447706.db2.gz WIXUZAURVWWOFK-VXGBXAGGSA-N 0 1 297.826 3.922 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)cc1Cl ZINC001232267102 1132447710 /nfs/dbraw/zinc/44/77/10/1132447710.db2.gz WIXUZAURVWWOFK-VXGBXAGGSA-N 0 1 297.826 3.922 20 10 CHCDMN COCC1(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000842890674 1132473910 /nfs/dbraw/zinc/47/39/10/1132473910.db2.gz JLDFUNOWIYVDRV-LLVKDONJSA-N 0 1 283.799 3.513 20 10 CHCDMN CC(C)[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143112626 1132505058 /nfs/dbraw/zinc/50/50/58/1132505058.db2.gz XTGZNLMUEIKJBL-INIZCTEOSA-N 0 1 291.435 3.547 20 10 CHCDMN CC[N@@H+](Cc1cc(C)cc(OC)c1)Cc1ccccc1O ZINC001143159478 1132509594 /nfs/dbraw/zinc/50/95/94/1132509594.db2.gz DNROSZCCSQKMKA-UHFFFAOYSA-N 0 1 285.387 3.731 20 10 CHCDMN C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001233077708 1132570658 /nfs/dbraw/zinc/57/06/58/1132570658.db2.gz XDUOZRAXFCNFBB-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN C[N@@H+](Cc1cccc(Cl)c1)Cc1c([O-])ccc(F)c1F ZINC001233334613 1132603581 /nfs/dbraw/zinc/60/35/81/1132603581.db2.gz NPTYUICARVVOMW-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416107 1132619460 /nfs/dbraw/zinc/61/94/60/1132619460.db2.gz WKFMTLCOVRXFJB-SNVBAGLBSA-N 0 1 273.298 3.643 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001233451511 1132625020 /nfs/dbraw/zinc/62/50/20/1132625020.db2.gz NBXQVYYKSBLXFN-QWRGUYRKSA-N 0 1 285.309 3.643 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455142 1132625484 /nfs/dbraw/zinc/62/54/84/1132625484.db2.gz XYEANVNDKVJNFA-PHIMTYICSA-N 0 1 287.325 3.889 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455142 1132625491 /nfs/dbraw/zinc/62/54/91/1132625491.db2.gz XYEANVNDKVJNFA-PHIMTYICSA-N 0 1 287.325 3.889 20 10 CHCDMN CCC[N@H+](CC)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451461 1132625534 /nfs/dbraw/zinc/62/55/34/1132625534.db2.gz LKNXNKVEUKNYKO-UHFFFAOYSA-N 0 1 261.287 3.643 20 10 CHCDMN CCC[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451461 1132625537 /nfs/dbraw/zinc/62/55/37/1132625537.db2.gz LKNXNKVEUKNYKO-UHFFFAOYSA-N 0 1 261.287 3.643 20 10 CHCDMN CCCCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727267 1132671589 /nfs/dbraw/zinc/67/15/89/1132671589.db2.gz LICMWQPELGTOCX-UHFFFAOYSA-N 0 1 291.313 3.913 20 10 CHCDMN CCCCC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727267 1132671593 /nfs/dbraw/zinc/67/15/93/1132671593.db2.gz LICMWQPELGTOCX-UHFFFAOYSA-N 0 1 291.313 3.913 20 10 CHCDMN Cc1c[nH+]ccc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001174539706 1132899500 /nfs/dbraw/zinc/89/95/00/1132899500.db2.gz QEKXCCFDGPQILZ-UHFFFAOYSA-N 0 1 269.131 3.568 20 10 CHCDMN CC(C)[NH+](Cc1cc(Br)ccc1[O-])C(C)C ZINC001203635172 1133347027 /nfs/dbraw/zinc/34/70/27/1133347027.db2.gz MVWFGYRGULHDKI-UHFFFAOYSA-N 0 1 286.213 3.774 20 10 CHCDMN Cc1ccc2[nH]c(NCc3ccc(N(C)C)c(F)c3)nc2c1 ZINC001203478533 1133332653 /nfs/dbraw/zinc/33/26/53/1133332653.db2.gz CXDWXFLSMXWCHT-UHFFFAOYSA-N 0 1 298.365 3.689 20 10 CHCDMN COc1cccc([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)c1 ZINC001203561372 1133339934 /nfs/dbraw/zinc/33/99/34/1133339934.db2.gz SYASYSHNJNCPQC-INIZCTEOSA-N 0 1 297.398 3.780 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC12CC2 ZINC001203571004 1133340142 /nfs/dbraw/zinc/34/01/42/1133340142.db2.gz DKRWXLAQSXIEDT-UHFFFAOYSA-N 0 1 272.175 3.827 20 10 CHCDMN Oc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1O ZINC001203881095 1133378721 /nfs/dbraw/zinc/37/87/21/1133378721.db2.gz DHHVMNLSLIXJEC-HNNXBMFYSA-N 0 1 287.334 3.574 20 10 CHCDMN Cn1cc(C[N@@H+](C)Cc2ccccc2O)c2ccccc21 ZINC001204319281 1133436949 /nfs/dbraw/zinc/43/69/49/1133436949.db2.gz MVVYFCNYPIAEMO-UHFFFAOYSA-N 0 1 280.371 3.516 20 10 CHCDMN CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001204388369 1133441886 /nfs/dbraw/zinc/44/18/86/1133441886.db2.gz BKANOOCJZIKCSB-LLVKDONJSA-N 0 1 253.773 3.586 20 10 CHCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001204388369 1133441889 /nfs/dbraw/zinc/44/18/89/1133441889.db2.gz BKANOOCJZIKCSB-LLVKDONJSA-N 0 1 253.773 3.586 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCc2c1cccc2O ZINC001206005709 1133640963 /nfs/dbraw/zinc/64/09/63/1133640963.db2.gz PPYZQZJMHBUZIM-AWEZNQCLSA-N 0 1 289.762 3.528 20 10 CHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC(OC(C)(C)C)C1 ZINC001206335317 1133692080 /nfs/dbraw/zinc/69/20/80/1133692080.db2.gz GDTSKBWGAIJSEA-UHFFFAOYSA-N 0 1 297.826 3.824 20 10 CHCDMN CN1CC=C(Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC001208836794 1133950348 /nfs/dbraw/zinc/95/03/48/1133950348.db2.gz BCBCDMDACYXBOQ-UHFFFAOYSA-N 0 1 292.382 3.549 20 10 CHCDMN COc1ccc(C[NH+]2CCCCCCCC2)c([O-])c1 ZINC000322293991 1135664838 /nfs/dbraw/zinc/66/48/38/1135664838.db2.gz YHBKKRCVYQVLTF-UHFFFAOYSA-N 0 1 263.381 3.557 20 10 CHCDMN COC[C@H](C)OC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227488894 1135839883 /nfs/dbraw/zinc/83/98/83/1135839883.db2.gz JMSDTINCWFTDES-SHYALIGYSA-N 0 1 287.319 3.616 20 10 CHCDMN C[C@@H]([NH2+]Cc1ccco1)c1ccc2ccccc2c1[O-] ZINC000022174219 171369418 /nfs/dbraw/zinc/36/94/18/171369418.db2.gz IIYVWNHAXMWTMB-GFCCVEGCSA-N 0 1 267.328 3.989 20 10 CHCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1F ZINC000037363179 260094668 /nfs/dbraw/zinc/09/46/68/260094668.db2.gz GOKHWXNXRNIACR-NSHDSACASA-N 0 1 289.325 3.751 20 10 CHCDMN COCC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000081709687 260184723 /nfs/dbraw/zinc/18/47/23/260184723.db2.gz NLFSGZKLPMSMSR-QWHCGFSZSA-N 0 1 273.376 3.621 20 10 CHCDMN CCN(C)c1ccc([C@H](C)NCc2ccco2)cc1 ZINC000152029588 261058441 /nfs/dbraw/zinc/05/84/41/261058441.db2.gz UPRVPWAWPKJRAE-ZDUSSCGKSA-N 0 1 258.365 3.587 20 10 CHCDMN COc1cc(Cl)cc(CN(C)Cc2ccc(C)o2)c1O ZINC000184673343 262026153 /nfs/dbraw/zinc/02/61/53/262026153.db2.gz CHXXWQFXBTUSPP-UHFFFAOYSA-N 0 1 295.766 3.588 20 10 CHCDMN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000184836361 262030545 /nfs/dbraw/zinc/03/05/45/262030545.db2.gz LFMARUWZJRDERY-NSHDSACASA-N 0 1 291.778 3.905 20 10 CHCDMN Cc1noc(C)c1CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185395778 262052783 /nfs/dbraw/zinc/05/27/83/262052783.db2.gz JXCFVJYCINLXFY-VIFPVBQESA-N 0 1 294.782 3.544 20 10 CHCDMN C[C@H](NCc1nc(C2CC2)cs1)c1cc(F)ccc1O ZINC000186117720 262079673 /nfs/dbraw/zinc/07/96/73/262079673.db2.gz AWIVKYDMSQETAB-VIFPVBQESA-N 0 1 292.379 3.716 20 10 CHCDMN Cc1ccc([C@H](C)NCc2nc(C3CC3)cs2)c(O)c1 ZINC000186117557 262080254 /nfs/dbraw/zinc/08/02/54/262080254.db2.gz PKMUOCKLRAVSTC-NSHDSACASA-N 0 1 288.416 3.885 20 10 CHCDMN C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000186515104 262096104 /nfs/dbraw/zinc/09/61/04/262096104.db2.gz YCANDAKMZMTIHR-AAEUAGOBSA-N 0 1 283.799 3.655 20 10 CHCDMN CCCO[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180180573 329218347 /nfs/dbraw/zinc/21/83/47/329218347.db2.gz MBFRNRVAHXGIOQ-CQSZACIVSA-N 0 1 297.826 3.827 20 10 CHCDMN C[C@H]([NH2+]CC1CC=CC1)c1cc(Cl)ccc1[O-] ZINC000527952411 330294460 /nfs/dbraw/zinc/29/44/60/330294460.db2.gz VFFXCTSDNZWGLB-JTQLQIEISA-N 0 1 251.757 3.662 20 10 CHCDMN Cc1ncccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000527983400 330298397 /nfs/dbraw/zinc/29/83/97/330298397.db2.gz AAIXWNOHSNDOJQ-LLVKDONJSA-N 0 1 276.767 3.600 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000230667647 333320344 /nfs/dbraw/zinc/32/03/44/333320344.db2.gz CRXMAJSUWQSBDJ-YPMHNXCESA-N 0 1 273.401 3.702 20 10 CHCDMN CC[C@H](N[C@@H](C)c1nnc(C)s1)c1ccc(C)cc1O ZINC000280126268 522703057 /nfs/dbraw/zinc/70/30/57/522703057.db2.gz ORGKINCXGNHVPP-GWCFXTLKSA-N 0 1 291.420 3.662 20 10 CHCDMN COc1ccc(CNCc2ccc3c(n2)CCCC3)cc1C ZINC000277695353 524072912 /nfs/dbraw/zinc/07/29/12/524072912.db2.gz KVHTWUCHRNZCIA-UHFFFAOYSA-N 0 1 296.414 3.567 20 10 CHCDMN Cc1cccc(CN2CC(C)(C)[C@@H]2c2cccnc2)c1O ZINC000292757603 524385775 /nfs/dbraw/zinc/38/57/75/524385775.db2.gz JDIBQWRDVSUTHH-KRWDZBQOSA-N 0 1 282.387 3.679 20 10 CHCDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(N(C)C)cc2)o1 ZINC000020146018 525342865 /nfs/dbraw/zinc/34/28/65/525342865.db2.gz ZEONXEUHLVAUEL-DYVFJYSZSA-N 0 1 284.403 3.759 20 10 CHCDMN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2c(F)cncc2F)c1 ZINC000285731437 525362480 /nfs/dbraw/zinc/36/24/80/525362480.db2.gz QTYWWSGWYCKREH-GHMZBOCLSA-N 0 1 292.329 3.786 20 10 CHCDMN Cc1ccc([C@H](C)NCc2ccc3c(c2)CCCN3C)o1 ZINC000050286562 525928651 /nfs/dbraw/zinc/92/86/51/525928651.db2.gz ZUMGZNTWBRIKGU-AWEZNQCLSA-N 0 1 284.403 3.821 20 10 CHCDMN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707145802 1118648217 /nfs/dbraw/zinc/64/82/17/1118648217.db2.gz HJJZHDSLWDVUJY-WDEREUQCSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c([O-])cccc1Br ZINC000707145802 1118648219 /nfs/dbraw/zinc/64/82/19/1118648219.db2.gz HJJZHDSLWDVUJY-WDEREUQCSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)[C@@H]1C ZINC000707147310 1118648209 /nfs/dbraw/zinc/64/82/09/1118648209.db2.gz YHBHIUDHHFLRGD-GHMZBOCLSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)[C@@H]1C ZINC000707147310 1118648211 /nfs/dbraw/zinc/64/82/11/1118648211.db2.gz YHBHIUDHHFLRGD-GHMZBOCLSA-N 0 1 298.224 3.775 20 10 CHCDMN CC1(C)C(C[NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000127347493 1119362823 /nfs/dbraw/zinc/36/28/23/1119362823.db2.gz MOPHZZLUDXOSDX-UHFFFAOYSA-N 0 1 267.800 3.817 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1cc(F)ccc1[O-] ZINC000706226651 1121419093 /nfs/dbraw/zinc/41/90/93/1121419093.db2.gz SDSWRBHGIMQVAW-NEPJUHHUSA-N 0 1 263.356 3.762 20 10 CHCDMN C[N@@H+](CCC1CCCCC1)Cc1cccc(F)c1[O-] ZINC001180093730 1121940742 /nfs/dbraw/zinc/94/07/42/1121940742.db2.gz VRBXXZGPPHCGGY-UHFFFAOYSA-N 0 1 265.372 3.934 20 10 CHCDMN CC[C@H]([NH2+]CCCCOC)c1cc(Cl)ccc1[O-] ZINC000775488159 1122616201 /nfs/dbraw/zinc/61/62/01/1122616201.db2.gz MXIVWFNGKPZCIH-ZDUSSCGKSA-N 0 1 271.788 3.513 20 10 CHCDMN CC[C@H]([NH2+]CCN(CC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775499412 1122628014 /nfs/dbraw/zinc/62/80/14/1122628014.db2.gz CXYKKNBNAREFLU-HNNXBMFYSA-N 0 1 296.842 3.571 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000689884737 1125286687 /nfs/dbraw/zinc/28/66/87/1125286687.db2.gz XKOFMCBAQMZGLU-LLVKDONJSA-N 0 1 271.763 3.617 20 10 CHCDMN CC[N@@H+](Cc1cccs1)Cc1c([O-])cc(F)cc1F ZINC001140584192 1131808991 /nfs/dbraw/zinc/80/89/91/1131808991.db2.gz HTLAXQQEBVPCFW-UHFFFAOYSA-N 0 1 283.343 3.754 20 10 CHCDMN Cc1cc([O-])c(C[NH+](C(C)C)C(C)C)cc1Cl ZINC001231866254 1132380220 /nfs/dbraw/zinc/38/02/20/1132380220.db2.gz BDMGDIRIYHFLPZ-UHFFFAOYSA-N 0 1 255.789 3.973 20 10 CHCDMN Cc1ncsc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746651 1132390950 /nfs/dbraw/zinc/39/09/50/1132390950.db2.gz JSNKQEWVSPAGHJ-MRVPVSSYSA-N 0 1 282.796 3.661 20 10 CHCDMN Oc1c(Cl)cccc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001231910185 1132398950 /nfs/dbraw/zinc/39/89/50/1132398950.db2.gz ZMWRGHZNLFDLFK-LLVKDONJSA-N 0 1 293.716 3.615 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001231910351 1132400389 /nfs/dbraw/zinc/40/03/89/1132400389.db2.gz MFQYDVVOHNJTLD-PHIMTYICSA-N 0 1 287.737 3.523 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@H]2C)cc1Cl ZINC001232264949 1132446617 /nfs/dbraw/zinc/44/66/17/1132446617.db2.gz PDNGOFVVJKSUEY-WDEREUQCSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1Cl ZINC001232264949 1132446621 /nfs/dbraw/zinc/44/66/21/1132446621.db2.gz PDNGOFVVJKSUEY-WDEREUQCSA-N 0 1 283.799 3.675 20 10 CHCDMN C[C@H]([NH2+]CC1CCC(F)CC1)c1cc(F)ccc1[O-] ZINC000842929295 1132477484 /nfs/dbraw/zinc/47/74/84/1132477484.db2.gz OQWZAOFVWGZLGN-UNXYVOJBSA-N 0 1 269.335 3.710 20 10 CHCDMN C[C@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415908 1132617619 /nfs/dbraw/zinc/61/76/19/1132617619.db2.gz NXGVJULQIXYLRM-JTQLQIEISA-N 0 1 273.298 3.785 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CC2(C)C)c1[O-] ZINC001206809788 1133751431 /nfs/dbraw/zinc/75/14/31/1133751431.db2.gz MFAJTXYPYVOGEI-LLVKDONJSA-N 0 1 283.799 3.532 20 10 CHCDMN CCOC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841753800 1125591585 /nfs/dbraw/zinc/59/15/85/1125591585.db2.gz WOAYGEAGYPUBBR-BXUZGUMPSA-N 0 1 285.815 3.757 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)ccc2ccccc21 ZINC000897506276 1125595292 /nfs/dbraw/zinc/59/52/92/1125595292.db2.gz XSZMREPTMKWGHU-AEFFLSMTSA-N 0 1 297.398 3.593 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)C2(C)CCCC2)c1[O-] ZINC000720387844 1129526932 /nfs/dbraw/zinc/52/69/32/1129526932.db2.gz PRVNINWBWVQRTR-UHFFFAOYSA-N 0 1 283.799 3.819 20 10 CHCDMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000384283159 1129905756 /nfs/dbraw/zinc/90/57/56/1129905756.db2.gz OTRASADWMMJYME-GWCFXTLKSA-N 0 1 283.799 3.675 20 10 CHCDMN C[C@H](NCc1nc(C(C)(C)C)cs1)c1ccccc1O ZINC000179891986 1126836115 /nfs/dbraw/zinc/83/61/15/1126836115.db2.gz KEOATADWNSQFOU-NSHDSACASA-N 0 1 290.432 3.997 20 10 CHCDMN CC[C@@](C)(NCc1cccc(C)c1O)c1nccs1 ZINC000182371447 1126870966 /nfs/dbraw/zinc/87/09/66/1126870966.db2.gz WWQXUIXTJPQBTM-OAHLLOKOSA-N 0 1 276.405 3.572 20 10 CHCDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000183713554 1126890641 /nfs/dbraw/zinc/89/06/41/1126890641.db2.gz ACEJVXSPJVGJOP-NSHDSACASA-N 0 1 276.767 3.634 20 10 CHCDMN C[C@@H](Nc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1O ZINC000187859005 1126915580 /nfs/dbraw/zinc/91/55/80/1126915580.db2.gz GUCPDNYVEGAVNI-SECBINFHSA-N 0 1 291.297 3.778 20 10 CHCDMN CCC(CC)[N@H+](CC)Cc1c(C)cc(OC)cc1[O-] ZINC001236811307 1131012088 /nfs/dbraw/zinc/01/20/88/1131012088.db2.gz OIEAYWZVDXMXHJ-UHFFFAOYSA-N 0 1 265.397 3.720 20 10 CHCDMN CCC(CC)[N@@H+](CC)Cc1c(C)cc(OC)cc1[O-] ZINC001236811307 1131012092 /nfs/dbraw/zinc/01/20/92/1131012092.db2.gz OIEAYWZVDXMXHJ-UHFFFAOYSA-N 0 1 265.397 3.720 20 10 CHCDMN C[C@@H]1C[C@@H](C)C[NH+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125458 1131055979 /nfs/dbraw/zinc/05/59/79/1131055979.db2.gz CAIZAZIZLJAFNK-NXEZZACHSA-N 0 1 271.763 3.663 20 10 CHCDMN CSCCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816599408 1131114555 /nfs/dbraw/zinc/11/45/55/1131114555.db2.gz LOFFWDYTPIMFPA-UHFFFAOYSA-N 0 1 275.417 3.730 20 10 CHCDMN CSCCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816599408 1131114557 /nfs/dbraw/zinc/11/45/57/1131114557.db2.gz LOFFWDYTPIMFPA-UHFFFAOYSA-N 0 1 275.417 3.730 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237947509 1131155064 /nfs/dbraw/zinc/15/50/64/1131155064.db2.gz QIUVRLSLORTTJW-AOOOYVTPSA-N 0 1 271.763 3.948 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000287373494 1127302335 /nfs/dbraw/zinc/30/23/35/1127302335.db2.gz HYDATGNFFWOVES-IJEWVQPXSA-N 0 1 299.414 3.869 20 10 CHCDMN C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000783311312 1127363420 /nfs/dbraw/zinc/36/34/20/1127363420.db2.gz VHSHPJXETVHWJH-DCQANWLSSA-N 0 1 263.356 3.858 20 10 CHCDMN COC(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168824081 1127471081 /nfs/dbraw/zinc/47/10/81/1127471081.db2.gz XHLLHUPAFGTNAS-LBPRGKRZSA-N 0 1 273.376 3.621 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CC=CCC2)c1O ZINC000761217409 1127536401 /nfs/dbraw/zinc/53/64/01/1127536401.db2.gz UZSPJCGJQCGIKY-GFCCVEGCSA-N 0 1 295.810 3.842 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CC=CCC2)c1[O-] ZINC000761217409 1127536405 /nfs/dbraw/zinc/53/64/05/1127536405.db2.gz UZSPJCGJQCGIKY-GFCCVEGCSA-N 0 1 295.810 3.842 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CC=CCC2)c1[O-] ZINC000761217409 1127536408 /nfs/dbraw/zinc/53/64/08/1127536408.db2.gz UZSPJCGJQCGIKY-GFCCVEGCSA-N 0 1 295.810 3.842 20 10 CHCDMN C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000230672527 1127771149 /nfs/dbraw/zinc/77/11/49/1127771149.db2.gz PXXDEJIQSDOXCA-KGLIPLIRSA-N 0 1 285.387 3.623 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000373231442 1127830269 /nfs/dbraw/zinc/83/02/69/1127830269.db2.gz XUGPZOVXDRZHCO-NSHDSACASA-N 0 1 277.751 3.628 20 10 CHCDMN CCCN(Cc1ccccc1O)Cc1ccncc1Cl ZINC000174374074 1127889784 /nfs/dbraw/zinc/88/97/84/1127889784.db2.gz OFDIMUPKZSIBMZ-UHFFFAOYSA-N 0 1 290.794 3.853 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc2ccccc2c1[O-] ZINC000296604039 1129223719 /nfs/dbraw/zinc/22/37/19/1129223719.db2.gz VVSZALOXXDCXEV-UONOGXRCSA-N 0 1 287.403 3.747 20 10 CHCDMN CC[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])OC ZINC000290214329 1127939018 /nfs/dbraw/zinc/93/90/18/1127939018.db2.gz QEBIBHBLDLMEHJ-GXTWGEPZSA-N 0 1 273.376 3.621 20 10 CHCDMN CC[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])OC ZINC000290214332 1127939251 /nfs/dbraw/zinc/93/92/51/1127939251.db2.gz QEBIBHBLDLMEHJ-OCCSQVGLSA-N 0 1 273.376 3.621 20 10 CHCDMN C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000252180556 1128129456 /nfs/dbraw/zinc/12/94/56/1128129456.db2.gz PYNDCJHKCHYMQX-UHIISALHSA-N 0 1 267.800 3.960 20 10 CHCDMN CC(C)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C1CC1 ZINC000324229946 1128160511 /nfs/dbraw/zinc/16/05/11/1128160511.db2.gz GXWMJOBWRWZBDS-MEBBXXQBSA-N 0 1 251.345 3.617 20 10 CHCDMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000914785246 1128244379 /nfs/dbraw/zinc/24/43/79/1128244379.db2.gz VPPCSRGCGZZAQF-HIFRSBDPSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@@H]1CCC[C@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000914785246 1128244381 /nfs/dbraw/zinc/24/43/81/1128244381.db2.gz VPPCSRGCGZZAQF-HIFRSBDPSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000914785246 1128244384 /nfs/dbraw/zinc/24/43/84/1128244384.db2.gz VPPCSRGCGZZAQF-HIFRSBDPSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@@H]([NH2+]C1CC(C)C1)c1ccc(Br)cc1[O-] ZINC000134934292 1128234656 /nfs/dbraw/zinc/23/46/56/1128234656.db2.gz FFRSUAATSZBCKE-INWMGODYSA-N 0 1 284.197 3.604 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000762650723 1128313207 /nfs/dbraw/zinc/31/32/07/1128313207.db2.gz RJKYXXXICACUCT-SWHYSGLUSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@H](NCc1nccs1)c1ccc2ccccc2c1O ZINC000041011678 1128533666 /nfs/dbraw/zinc/53/36/66/1128533666.db2.gz DHSJLVGUSWVCNO-NSHDSACASA-N 0 1 284.384 3.853 20 10 CHCDMN Cn1ccc(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000156411763 1128635740 /nfs/dbraw/zinc/63/57/40/1128635740.db2.gz AYSQEOLQOJOYDK-UHFFFAOYSA-N 0 1 296.370 3.526 20 10 CHCDMN C[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779022445 1128685344 /nfs/dbraw/zinc/68/53/44/1128685344.db2.gz BTCNNIBOSJUDMT-SFHVURJKSA-N 0 1 285.362 3.695 20 10 CHCDMN CCOCCC1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000130723017 1128685490 /nfs/dbraw/zinc/68/54/90/1128685490.db2.gz HJBUAYWJKIDYBD-UHFFFAOYSA-N 0 1 297.826 3.732 20 10 CHCDMN COc1cccc(C[N@@H+](C(C)C)C2CCCCC2)c1O ZINC000159770447 1128726696 /nfs/dbraw/zinc/72/66/96/1128726696.db2.gz AFYYMBICYBRFKX-UHFFFAOYSA-N 0 1 277.408 3.944 20 10 CHCDMN COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])cc1 ZINC000159859236 1128733789 /nfs/dbraw/zinc/73/37/89/1128733789.db2.gz JYCZHPPADLWWMN-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])cc1 ZINC000159859236 1128733795 /nfs/dbraw/zinc/73/37/95/1128733795.db2.gz JYCZHPPADLWWMN-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN C[C@@H]([NH2+]C1CC=CC1)c1ccc(Br)cc1[O-] ZINC000134929602 1118082143 /nfs/dbraw/zinc/08/21/43/1118082143.db2.gz KZRSWXJPYMHASN-SECBINFHSA-N 0 1 282.181 3.524 20 10 CHCDMN CC[C@H]([NH2+]CCC1(COC)CC1)c1cc(Cl)ccc1[O-] ZINC000842890506 1118157771 /nfs/dbraw/zinc/15/77/71/1118157771.db2.gz FZAGECVBBHYOKL-AWEZNQCLSA-N 0 1 297.826 3.903 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCSc1ccccc1 ZINC000083551540 1118356419 /nfs/dbraw/zinc/35/64/19/1118356419.db2.gz JRASVDVZIDRXQX-UHFFFAOYSA-N 0 1 293.819 3.928 20 10 CHCDMN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)oc1C ZINC001204538363 1118452509 /nfs/dbraw/zinc/45/25/09/1118452509.db2.gz BJFCPAXPWILEMN-UHFFFAOYSA-N 0 1 272.392 3.594 20 10 CHCDMN CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000834906590 1118623537 /nfs/dbraw/zinc/62/35/37/1118623537.db2.gz XVRJOZNSBJUGIQ-SWLSCSKDSA-N 0 1 297.826 3.903 20 10 CHCDMN C[C@@H]1C[C@@H](C)C[NH+](Cc2c([O-])cccc2Br)C1 ZINC000707145858 1118648039 /nfs/dbraw/zinc/64/80/39/1118648039.db2.gz JJWUYTCHYYMASP-GHMZBOCLSA-N 0 1 298.224 3.633 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001140461594 1118719897 /nfs/dbraw/zinc/71/98/97/1118719897.db2.gz NDGMTBCEEUTRIS-HNNXBMFYSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001140461594 1118719899 /nfs/dbraw/zinc/71/98/99/1118719899.db2.gz NDGMTBCEEUTRIS-HNNXBMFYSA-N 0 1 288.778 3.778 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1[O-] ZINC000224709119 1119176527 /nfs/dbraw/zinc/17/65/27/1119176527.db2.gz HYIDYVMAVRGNDD-MNOVXSKESA-N 0 1 295.810 3.869 20 10 CHCDMN CC(C)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000307772405 1119361810 /nfs/dbraw/zinc/36/18/10/1119361810.db2.gz IEFFEDOYDVIRDK-LBPRGKRZSA-N 0 1 267.800 3.914 20 10 CHCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000162912118 1120003949 /nfs/dbraw/zinc/00/39/49/1120003949.db2.gz FFLOXTHCYPDINO-DTWKUNHWSA-N 0 1 274.191 3.929 20 10 CHCDMN C[C@H](NCc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000107929133 1120062601 /nfs/dbraw/zinc/06/26/01/1120062601.db2.gz ZFTYJTHYGDAHIH-LBPRGKRZSA-N 0 1 290.357 3.882 20 10 CHCDMN CCC[N@H+](Cc1ccc(OC)c(Cl)c1[O-])CC(C)C ZINC001236809197 1128896701 /nfs/dbraw/zinc/89/67/01/1128896701.db2.gz KEZPJNGQLZWRRY-UHFFFAOYSA-N 0 1 285.815 3.922 20 10 CHCDMN CC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236808672 1128896874 /nfs/dbraw/zinc/89/68/74/1128896874.db2.gz IALIQJCLNQWDKP-LBPRGKRZSA-N 0 1 283.799 3.819 20 10 CHCDMN Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000180244989 1120269265 /nfs/dbraw/zinc/26/92/65/1120269265.db2.gz ZHWXOMFJNGMJJX-INIZCTEOSA-N 0 1 288.366 3.597 20 10 CHCDMN CC(C)OCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184863386 1120364062 /nfs/dbraw/zinc/36/40/62/1120364062.db2.gz FMHBACSYSZEKBM-NSHDSACASA-N 0 1 271.788 3.511 20 10 CHCDMN c1ccc([C@H](NCc2ccc3c(c2)CCCO3)C2CC2)nc1 ZINC000922583438 1120557553 /nfs/dbraw/zinc/55/75/53/1120557553.db2.gz XPSJKEHGGFVSEP-LJQANCHMSA-N 0 1 294.398 3.648 20 10 CHCDMN CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756606153 1120595655 /nfs/dbraw/zinc/59/56/55/1120595655.db2.gz VXBMAZZACBQRHO-MLGOLLRUSA-N 0 1 299.842 3.883 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922845306 1120612740 /nfs/dbraw/zinc/61/27/40/1120612740.db2.gz LZQNCNSKDGBMHC-ZDUSSCGKSA-N 0 1 297.851 3.954 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922879230 1120617217 /nfs/dbraw/zinc/61/72/17/1120617217.db2.gz GAGKMHDGYGUTIU-CQSZACIVSA-N 0 1 288.778 3.608 20 10 CHCDMN [O-]c1ccc(F)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000191443140 1128933027 /nfs/dbraw/zinc/93/30/27/1128933027.db2.gz YTTIACFTWINZIX-UHFFFAOYSA-N 0 1 275.367 3.590 20 10 CHCDMN CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185434106 1120911590 /nfs/dbraw/zinc/91/15/90/1120911590.db2.gz ZLSZNWIZNXLKCN-SCLBCKFNSA-N 0 1 287.403 3.603 20 10 CHCDMN CO[C@H](C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000273617852 1120973628 /nfs/dbraw/zinc/97/36/28/1120973628.db2.gz YCSOSONNEIMJNT-CHWSQXEVSA-N 0 1 273.376 3.621 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000702770083 1121212459 /nfs/dbraw/zinc/21/24/59/1121212459.db2.gz PRRYQKKVLGOPHA-UHFFFAOYSA-N 0 1 275.726 3.667 20 10 CHCDMN CCC[NH+](CCC)Cc1c([O-])ccc(F)c1Cl ZINC001237121835 1128979229 /nfs/dbraw/zinc/97/92/29/1128979229.db2.gz PVYNUVVKPUAVIO-UHFFFAOYSA-N 0 1 259.752 3.807 20 10 CHCDMN CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])CCS1 ZINC001207675692 1121395127 /nfs/dbraw/zinc/39/51/27/1121395127.db2.gz QKJHDZSGIYGALS-LBPRGKRZSA-N 0 1 285.840 3.809 20 10 CHCDMN C[N@@H+](C/C=C/c1ccccc1)Cc1c([O-])cccc1F ZINC001137838687 1121421229 /nfs/dbraw/zinc/42/12/29/1121421229.db2.gz HNIBNQYBDQXERW-RMKNXTFCSA-N 0 1 271.335 3.677 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CC2(C)C)c(Cl)c1 ZINC001179468541 1121882091 /nfs/dbraw/zinc/88/20/91/1121882091.db2.gz GSUDJLAFDCCUON-OAHLLOKOSA-N 0 1 267.800 3.880 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC(C)(C)O2)c(Cl)c1 ZINC001179740362 1121904654 /nfs/dbraw/zinc/90/46/54/1121904654.db2.gz MLPQHNUJCIRWBS-GFCCVEGCSA-N 0 1 297.826 3.791 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC001180198583 1121964462 /nfs/dbraw/zinc/96/44/62/1121964462.db2.gz DWXFECKJFCCYCM-ZJUUUORDSA-N 0 1 271.763 3.663 20 10 CHCDMN C[N@@H+](CCCc1ccc(F)c(F)c1)Cc1ccccc1O ZINC001180238755 1121967798 /nfs/dbraw/zinc/96/77/98/1121967798.db2.gz AACGZTWHIGGIMS-UHFFFAOYSA-N 0 1 291.341 3.735 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@H](C3CC3)C2)ccc2ccccc21 ZINC000816516591 1122026596 /nfs/dbraw/zinc/02/65/96/1122026596.db2.gz KMHNDLSRAJGPMO-HNNXBMFYSA-N 0 1 267.372 3.777 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@H](C3CC3)C2)ccc2ccccc21 ZINC000816516591 1122026603 /nfs/dbraw/zinc/02/66/03/1122026603.db2.gz KMHNDLSRAJGPMO-HNNXBMFYSA-N 0 1 267.372 3.777 20 10 CHCDMN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001183311354 1122217141 /nfs/dbraw/zinc/21/71/41/1122217141.db2.gz APACLZLTQBVPAU-IAGOWNOFSA-N 0 1 285.362 3.957 20 10 CHCDMN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000273482405 1122235676 /nfs/dbraw/zinc/23/56/76/1122235676.db2.gz MGVVBLHMWWBDQO-DETPVDSQSA-N 0 1 297.826 3.900 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001203650910 1122415033 /nfs/dbraw/zinc/41/50/33/1122415033.db2.gz GEFWCXJNLALZRC-RYUDHWBXSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001203650910 1122415036 /nfs/dbraw/zinc/41/50/36/1122415036.db2.gz GEFWCXJNLALZRC-RYUDHWBXSA-N 0 1 265.784 3.668 20 10 CHCDMN C[C@@H](NCc1cc(-c2ccccc2)on1)c1ccccc1O ZINC000183481019 1129057930 /nfs/dbraw/zinc/05/79/30/1129057930.db2.gz PGKBCLWVLUHGIT-CYBMUJFWSA-N 0 1 294.354 3.898 20 10 CHCDMN C[C@H](NCc1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000775363331 1122528613 /nfs/dbraw/zinc/52/86/13/1122528613.db2.gz MVRGCSRWHVKKSN-LBPRGKRZSA-N 0 1 289.810 3.652 20 10 CHCDMN CCOCCCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775491320 1122622637 /nfs/dbraw/zinc/62/26/37/1122622637.db2.gz IDQZJHDMGDWAGZ-AWEZNQCLSA-N 0 1 285.815 3.903 20 10 CHCDMN CC[C@H](NCc1nccs1)c1cc(Cl)ccc1O ZINC000775494107 1122625023 /nfs/dbraw/zinc/62/50/23/1122625023.db2.gz YCSVTPJXQNXXTH-NSHDSACASA-N 0 1 282.796 3.743 20 10 CHCDMN CC[C@H]([NH2+]Cc1nccs1)c1cc(Cl)ccc1[O-] ZINC000775494107 1122625025 /nfs/dbraw/zinc/62/50/25/1122625025.db2.gz YCSVTPJXQNXXTH-NSHDSACASA-N 0 1 282.796 3.743 20 10 CHCDMN CC[C@H]([NH2+]CC[C@@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000775502531 1122631395 /nfs/dbraw/zinc/63/13/95/1122631395.db2.gz XGOQMAQCLLBVEV-MFKMUULPSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@H]([NH2+]CCc1ccncc1)c1cc(Cl)ccc1[O-] ZINC000775513764 1122634700 /nfs/dbraw/zinc/63/47/00/1122634700.db2.gz MASMYCWACJZPSR-HNNXBMFYSA-N 0 1 290.794 3.724 20 10 CHCDMN CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775522609 1122639861 /nfs/dbraw/zinc/63/98/61/1122639861.db2.gz VPWFPNUDJNTOBV-JSGCOSHPSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@H]([NH2+]Cc1cnn(CC)c1)c1cc(Cl)ccc1[O-] ZINC000775524427 1122642596 /nfs/dbraw/zinc/64/25/96/1122642596.db2.gz PZJCDCFSJNHCRG-AWEZNQCLSA-N 0 1 293.798 3.503 20 10 CHCDMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc(C)cs2)c1 ZINC000080273396 1129079490 /nfs/dbraw/zinc/07/94/90/1129079490.db2.gz IIBXYNQPVZSJSB-GHMZBOCLSA-N 0 1 292.404 3.578 20 10 CHCDMN C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(Cl)c1[O-] ZINC000775658276 1122868771 /nfs/dbraw/zinc/86/87/71/1122868771.db2.gz NATDPKKWSMPDDV-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775663645 1122877438 /nfs/dbraw/zinc/87/74/38/1122877438.db2.gz QEVWMWYYIBELTB-NSHDSACASA-N 0 1 257.736 3.559 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000775693201 1122910553 /nfs/dbraw/zinc/91/05/53/1122910553.db2.gz VQCSDAZWZJCOCK-JTQLQIEISA-N 0 1 295.741 3.767 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000775700661 1122914334 /nfs/dbraw/zinc/91/43/34/1122914334.db2.gz MCUOZUGQQLAYDH-UHFFFAOYSA-N 0 1 291.753 3.743 20 10 CHCDMN CCN(CC)c1ccc(CN2CCn3cccc3[C@H]2C)cc1 ZINC001203942460 1123041649 /nfs/dbraw/zinc/04/16/49/1123041649.db2.gz RFKUMPNIGOWQMR-MRXNPFEDSA-N 0 1 297.446 3.911 20 10 CHCDMN COc1cccc(Cl)c1CNCc1cc(C)ccc1O ZINC000188280246 1123056637 /nfs/dbraw/zinc/05/66/37/1123056637.db2.gz RDBDTNZBPKSOMF-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN CC[C@H](C)CN1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001201511337 1123113839 /nfs/dbraw/zinc/11/38/39/1123113839.db2.gz JIELUBMRVDDWHH-ZDUSSCGKSA-N 0 1 286.419 3.591 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846108293 1123146731 /nfs/dbraw/zinc/14/67/31/1123146731.db2.gz OHZLJXOEWGRYEP-CYBMUJFWSA-N 0 1 287.737 3.667 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846108293 1123146736 /nfs/dbraw/zinc/14/67/36/1123146736.db2.gz OHZLJXOEWGRYEP-CYBMUJFWSA-N 0 1 287.737 3.667 20 10 CHCDMN CC(F)(F)C(C)(C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000696588086 1123216458 /nfs/dbraw/zinc/21/64/58/1123216458.db2.gz XFVARQRHSCAOMT-UHFFFAOYSA-N 0 1 277.742 3.817 20 10 CHCDMN C[C@H]([NH2+]CCCOC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000850526946 1123282062 /nfs/dbraw/zinc/28/20/62/1123282062.db2.gz UBQVJZQBVBYWDX-NSHDSACASA-N 0 1 285.815 3.901 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(Cl)cc1[O-] ZINC000850534041 1123285881 /nfs/dbraw/zinc/28/58/81/1123285881.db2.gz FSZRHRKZCGTOOB-MDZLAQPJSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(Cl)cc1[O-] ZINC000850553199 1123290043 /nfs/dbraw/zinc/29/00/43/1123290043.db2.gz TZJMQSLDDJEHIC-PELKAZGASA-N 0 1 289.753 3.988 20 10 CHCDMN C[C@@H]([NH2+]CC1SCCS1)c1cc(Cl)ccc1[O-] ZINC000850560215 1123291741 /nfs/dbraw/zinc/29/17/41/1123291741.db2.gz JQNZOQJAORAPGT-MRVPVSSYSA-N 0 1 289.853 3.502 20 10 CHCDMN CC[C@H]1COCCN1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000738084048 1123518208 /nfs/dbraw/zinc/51/82/08/1123518208.db2.gz JTGDMTKJTTWKLK-HNNXBMFYSA-N 0 1 291.435 3.609 20 10 CHCDMN Cc1cc(N(C)C)ccc1CNCc1cc(F)ccc1F ZINC000115629236 1123619865 /nfs/dbraw/zinc/61/98/65/1123619865.db2.gz UUKPAMLCSLZBOM-UHFFFAOYSA-N 0 1 290.357 3.629 20 10 CHCDMN C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000858548963 1123661678 /nfs/dbraw/zinc/66/16/78/1123661678.db2.gz YCUWOITWIIHLAO-PNPHSEOMSA-N 0 1 297.398 3.764 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000691828604 1123694474 /nfs/dbraw/zinc/69/44/74/1123694474.db2.gz AOKYUNSZQLFIMI-AWEZNQCLSA-N 0 1 295.810 3.627 20 10 CHCDMN Cc1ncc(CNCc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000862276803 1123797216 /nfs/dbraw/zinc/79/72/16/1123797216.db2.gz DXSRIONWUKCLJE-UHFFFAOYSA-N 0 1 299.418 3.509 20 10 CHCDMN CN(C)c1ccc(/C=C/CN2CC(Cc3ccco3)C2)cc1 ZINC000862487157 1123813860 /nfs/dbraw/zinc/81/38/60/1123813860.db2.gz NNCPCZFUAIJKCA-HWKANZROSA-N 0 1 296.414 3.533 20 10 CHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000083551386 1129150121 /nfs/dbraw/zinc/15/01/21/1129150121.db2.gz QPXYQKCDVYLZEM-LBPRGKRZSA-N 0 1 275.779 3.939 20 10 CHCDMN CCOc1ccc(NCc2ccc(F)c(F)c2O)c(C)c1 ZINC000864018376 1123910292 /nfs/dbraw/zinc/91/02/92/1123910292.db2.gz FFZIVZALYPRJFE-UHFFFAOYSA-N 0 1 293.313 3.990 20 10 CHCDMN C[C@H]1CC2(CCC2)C[N@@H+]1Cc1c([O-])cccc1Cl ZINC000763646852 1129156185 /nfs/dbraw/zinc/15/61/85/1129156185.db2.gz KVQUSRQEDAUHMV-NSHDSACASA-N 0 1 265.784 3.810 20 10 CHCDMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1c([O-])cccc1Cl ZINC000763646852 1129156186 /nfs/dbraw/zinc/15/61/86/1129156186.db2.gz KVQUSRQEDAUHMV-NSHDSACASA-N 0 1 265.784 3.810 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cccnc1F)c1cc(Cl)ccc1[O-] ZINC000794832711 1123970082 /nfs/dbraw/zinc/97/00/82/1123970082.db2.gz DCIUWIFRBXHMFV-CYBMUJFWSA-N 0 1 294.757 3.821 20 10 CHCDMN Cc1cc(O)c(CN[C@H](CF)c2ccc(F)cc2)cc1C ZINC000865823083 1124017854 /nfs/dbraw/zinc/01/78/54/1124017854.db2.gz RLQFQXRDIKGYOL-MRXNPFEDSA-N 0 1 291.341 3.949 20 10 CHCDMN C[C@@H]([NH2+]CC(C)(C)F)c1ccc2ccccc2c1[O-] ZINC000866408152 1124063494 /nfs/dbraw/zinc/06/34/94/1124063494.db2.gz HACXBEAUGVYMSO-LLVKDONJSA-N 0 1 261.340 3.944 20 10 CHCDMN Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000866478785 1124069917 /nfs/dbraw/zinc/06/99/17/1124069917.db2.gz MNNLMIOQFZRSIL-SNVBAGLBSA-N 0 1 265.740 3.798 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000872133191 1124692527 /nfs/dbraw/zinc/69/25/27/1124692527.db2.gz LLUBFNSDTKJVQP-UKRRQHHQSA-N 0 1 298.434 3.653 20 10 CHCDMN CCN(C)c1ccc([C@H](C)N[C@H](C)c2nccnc2C)cc1 ZINC000872133189 1124692836 /nfs/dbraw/zinc/69/28/36/1124692836.db2.gz LLUBFNSDTKJVQP-DZGCQCFKSA-N 0 1 298.434 3.653 20 10 CHCDMN CCC(CC)c1cc(CNCc2ccc(C)cc2O)on1 ZINC000877063188 1125002773 /nfs/dbraw/zinc/00/27/73/1125002773.db2.gz GCZIEPWNRWJWAG-UHFFFAOYSA-N 0 1 288.391 3.882 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCC2(F)CCC2)cc1Cl ZINC000825935490 1125012664 /nfs/dbraw/zinc/01/26/64/1125012664.db2.gz VVPTUQCOPPWPPM-UHFFFAOYSA-N 0 1 271.763 3.726 20 10 CHCDMN [O-]c1c(C[NH2+]CC[C@@H]2CCSC2)ccc2ccccc21 ZINC000877662186 1125058889 /nfs/dbraw/zinc/05/88/89/1125058889.db2.gz NERKUKCQCPPMNW-CYBMUJFWSA-N 0 1 287.428 3.778 20 10 CHCDMN CSC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000877663590 1125061086 /nfs/dbraw/zinc/06/10/86/1125061086.db2.gz VQXGNFLRMDWKGS-UHFFFAOYSA-N 0 1 287.428 3.873 20 10 CHCDMN Oc1cccc2c1CN(Cc1ccc(OC(F)F)cc1)C2 ZINC000877704006 1125066150 /nfs/dbraw/zinc/06/61/50/1125066150.db2.gz VYXLZRHKILSRNT-UHFFFAOYSA-N 0 1 291.297 3.509 20 10 CHCDMN CCc1cccc(CN[C@@H](CF)c2ccc(F)cc2)c1O ZINC000877758471 1125075679 /nfs/dbraw/zinc/07/56/79/1125075679.db2.gz CEMVJHAIUBEORU-INIZCTEOSA-N 0 1 291.341 3.894 20 10 CHCDMN Cc1ccc(CN[C@@H](C)c2cc(F)ccc2O)c(Cl)n1 ZINC000883301520 1125392289 /nfs/dbraw/zinc/39/22/89/1125392289.db2.gz BLSLURNWRBLOPV-JTQLQIEISA-N 0 1 294.757 3.739 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCCOC1 ZINC000883353585 1125400415 /nfs/dbraw/zinc/40/04/15/1125400415.db2.gz XXEWIPKXASMTEJ-HUBLWGQQSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)C(F)F)c1cccc(Cl)c1[O-] ZINC000883400129 1125408701 /nfs/dbraw/zinc/40/87/01/1125408701.db2.gz FHNFBLYEHJZYMD-XCBNKYQSSA-N 0 1 263.715 3.740 20 10 CHCDMN C[C@@H]1C[C@@H](C)C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000131818847 1125410274 /nfs/dbraw/zinc/41/02/74/1125410274.db2.gz 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CC[C@H]([NH2+]CC(C)(C)COC)c1cc(Cl)ccc1[O-] ZINC000813883033 1130794468 /nfs/dbraw/zinc/79/44/68/1130794468.db2.gz PIOGNXZLSNXWIL-ZDUSSCGKSA-N 0 1 285.815 3.759 20 10 CHCDMN CCOc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c(O)c1 ZINC000783593501 1130842122 /nfs/dbraw/zinc/84/21/22/1130842122.db2.gz VBBDMHKRGCMZIH-IAOVAPTHSA-N 0 1 289.419 3.801 20 10 CHCDMN CC1=C[C@@H](C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000797605704 1130998487 /nfs/dbraw/zinc/99/84/87/1130998487.db2.gz VAVPOVIKMPYRRM-SECBINFHSA-N 0 1 269.747 3.583 20 10 CHCDMN CC1=C[C@H](C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000797605705 1130998565 /nfs/dbraw/zinc/99/85/65/1130998565.db2.gz VAVPOVIKMPYRRM-VIFPVBQESA-N 0 1 269.747 3.583 20 10 CHCDMN CCc1ccc(CN2CCC[C@@H]2c2cc(C)on2)c(O)c1 ZINC001236784628 1131006505 /nfs/dbraw/zinc/00/65/05/1131006505.db2.gz XIVDQPHISNTCBP-MRXNPFEDSA-N 0 1 286.375 3.588 20 10 CHCDMN C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC1CC1 ZINC001236793686 1131008539 /nfs/dbraw/zinc/00/85/39/1131008539.db2.gz 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ZINC001231868950 1132384506 /nfs/dbraw/zinc/38/45/06/1132384506.db2.gz IRHLGBDXHPRRKH-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)Cc2ccccc2)cc1Cl ZINC001231868950 1132384514 /nfs/dbraw/zinc/38/45/14/1132384514.db2.gz IRHLGBDXHPRRKH-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)Cc2ccccc2)cc1Cl ZINC001231868950 1132384519 /nfs/dbraw/zinc/38/45/19/1132384519.db2.gz IRHLGBDXHPRRKH-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001231868660 1132385191 /nfs/dbraw/zinc/38/51/91/1132385191.db2.gz VXIXPTNGMULSBJ-LBPRGKRZSA-N 0 1 271.763 3.678 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001231868660 1132385197 /nfs/dbraw/zinc/38/51/97/1132385197.db2.gz VXIXPTNGMULSBJ-LBPRGKRZSA-N 0 1 271.763 3.678 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001231868660 1132385204 /nfs/dbraw/zinc/38/52/04/1132385204.db2.gz VXIXPTNGMULSBJ-LBPRGKRZSA-N 0 1 271.763 3.678 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2CC3CCC(CC3)C2)cc1Cl ZINC001231869972 1132385726 /nfs/dbraw/zinc/38/57/26/1132385726.db2.gz CRDFEODVSJDKLY-UHFFFAOYSA-N 0 1 279.811 3.976 20 10 CHCDMN C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841751190 1132389054 /nfs/dbraw/zinc/38/90/54/1132389054.db2.gz MILRQXZGGSHEHP-ABAIWWIYSA-N 0 1 297.826 3.637 20 10 CHCDMN [O-]c1c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)ccc2ccccc21 ZINC001231879359 1132389348 /nfs/dbraw/zinc/38/93/48/1132389348.db2.gz CLTHLDPGQOKVGS-HIFRSBDPSA-N 0 1 289.325 3.632 20 10 CHCDMN [O-]c1c(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)ccc2ccccc21 ZINC001231879359 1132389356 /nfs/dbraw/zinc/38/93/56/1132389356.db2.gz CLTHLDPGQOKVGS-HIFRSBDPSA-N 0 1 289.325 3.632 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc2ccccc21 ZINC001231879346 1132390320 /nfs/dbraw/zinc/39/03/20/1132390320.db2.gz CGPTXAFTCKNZNF-CRAIPNDOSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc2ccccc21 ZINC001231879346 1132390328 /nfs/dbraw/zinc/39/03/28/1132390328.db2.gz CGPTXAFTCKNZNF-CRAIPNDOSA-N 0 1 297.398 3.546 20 10 CHCDMN C[C@H]([NH2+]CCOC1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841748686 1132390461 /nfs/dbraw/zinc/39/04/61/1132390461.db2.gz YDTFVSUMUCOLRA-NSHDSACASA-N 0 1 283.799 3.655 20 10 CHCDMN [O-]c1c(C[N@H+](CC2CC2)C2CC2)ccc2ccccc21 ZINC001231883328 1132391471 /nfs/dbraw/zinc/39/14/71/1132391471.db2.gz OJDKDTYDOUDZEX-UHFFFAOYSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1c(C[N@@H+](CC2CC2)C2CC2)ccc2ccccc21 ZINC001231883328 1132391477 /nfs/dbraw/zinc/39/14/77/1132391477.db2.gz OJDKDTYDOUDZEX-UHFFFAOYSA-N 0 1 267.372 3.920 20 10 CHCDMN CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841756510 1132392044 /nfs/dbraw/zinc/39/20/44/1132392044.db2.gz WNNVADQODZLWHW-GDLVEWKHSA-N 0 1 297.826 3.900 20 10 CHCDMN C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(Cl)cc1[O-] ZINC000841759245 1132393275 /nfs/dbraw/zinc/39/32/75/1132393275.db2.gz XSDTWPFEIRBTOC-OUJBWJOFSA-N 0 1 291.782 3.599 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(OC2CCC2)CC1 ZINC000841889067 1132401942 /nfs/dbraw/zinc/40/19/42/1132401942.db2.gz ZMHURZZSIKBFDW-UHFFFAOYSA-N 0 1 295.810 3.579 20 10 CHCDMN CC1(CC(F)F)CN(Cc2c(O)cccc2Cl)C1 ZINC000843425103 1132532200 /nfs/dbraw/zinc/53/22/00/1132532200.db2.gz WDOBHKHELQOTQU-UHFFFAOYSA-N 0 1 275.726 3.523 20 10 CHCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000133716298 1132602910 /nfs/dbraw/zinc/60/29/10/1132602910.db2.gz KBABVAXFGHJEAR-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000133716298 1132602908 /nfs/dbraw/zinc/60/29/08/1132602908.db2.gz KBABVAXFGHJEAR-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001233332249 1132603110 /nfs/dbraw/zinc/60/31/10/1132603110.db2.gz FCHKYGZZVGWHNM-CYBMUJFWSA-N 0 1 289.325 3.660 20 10 CHCDMN C[N@@H+](CCCc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233334396 1132604264 /nfs/dbraw/zinc/60/42/64/1132604264.db2.gz FCEGDRYQNSCFTI-UHFFFAOYSA-N 0 1 291.341 3.735 20 10 CHCDMN CC[N@@H+](Cc1c([O-])ccc(F)c1F)C1CCCCC1 ZINC001233331632 1132604433 /nfs/dbraw/zinc/60/44/33/1132604433.db2.gz DUDPPQJHWQJPMK-UHFFFAOYSA-N 0 1 269.335 3.825 20 10 CHCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCCC2(CCCC2)C1 ZINC001233332641 1132605104 /nfs/dbraw/zinc/60/51/04/1132605104.db2.gz SAZMKZMQWGHPHZ-UHFFFAOYSA-N 0 1 281.346 3.827 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](CF)C2)cccc1C(F)(F)F ZINC001233418321 1132617700 /nfs/dbraw/zinc/61/77/00/1132617700.db2.gz BMROIXANRGXZGU-JTQLQIEISA-N 0 1 291.288 3.593 20 10 CHCDMN [O-]c1c(C[NH+]2CCCCCC2)cccc1OC(F)(F)F ZINC001233728334 1132671518 /nfs/dbraw/zinc/67/15/18/1132671518.db2.gz VWYWGUZAMKIFTO-UHFFFAOYSA-N 0 1 289.297 3.667 20 10 CHCDMN CCCC[N@@H+](CC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727127 1132671628 /nfs/dbraw/zinc/67/16/28/1132671628.db2.gz IZCVYTIXLGHZND-UHFFFAOYSA-N 0 1 291.313 3.913 20 10 CHCDMN CCCC[N@H+](CC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727127 1132671624 /nfs/dbraw/zinc/67/16/24/1132671624.db2.gz IZCVYTIXLGHZND-UHFFFAOYSA-N 0 1 291.313 3.913 20 10 CHCDMN COc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c(O)c1 ZINC001203620391 1133345566 /nfs/dbraw/zinc/34/55/66/1133345566.db2.gz DAXDQGCXJCMELO-CYBMUJFWSA-N 0 1 283.371 3.520 20 10 CHCDMN CC1(C)C[N@H+](Cc2cc(Cl)ccc2[O-])CCC1(F)F ZINC001203651383 1133347657 /nfs/dbraw/zinc/34/76/57/1133347657.db2.gz NCDUBLWAZGLSCS-UHFFFAOYSA-N 0 1 289.753 3.913 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[O-])CCC1(F)F ZINC001203651383 1133347660 /nfs/dbraw/zinc/34/76/60/1133347660.db2.gz NCDUBLWAZGLSCS-UHFFFAOYSA-N 0 1 289.753 3.913 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@H+](CC1CC1)C1CC1 ZINC001203650253 1133347869 /nfs/dbraw/zinc/34/78/69/1133347869.db2.gz OZGHOAUXLMFPTF-UHFFFAOYSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@@H+](CC1CC1)C1CC1 ZINC001203650253 1133347876 /nfs/dbraw/zinc/34/78/76/1133347876.db2.gz OZGHOAUXLMFPTF-UHFFFAOYSA-N 0 1 296.208 3.529 20 10 CHCDMN Oc1ccc(Cl)cc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001203664761 1133351626 /nfs/dbraw/zinc/35/16/26/1133351626.db2.gz VPBUTGGRXFVZSL-UHFFFAOYSA-N 0 1 277.751 3.803 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+](Cc1ccco1)C1CC1 ZINC001203664761 1133351629 /nfs/dbraw/zinc/35/16/29/1133351629.db2.gz VPBUTGGRXFVZSL-UHFFFAOYSA-N 0 1 277.751 3.803 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001203664761 1133351635 /nfs/dbraw/zinc/35/16/35/1133351635.db2.gz VPBUTGGRXFVZSL-UHFFFAOYSA-N 0 1 277.751 3.803 20 10 CHCDMN Oc1ccc(Cl)cc1CN(Cc1ccco1)C1CC1 ZINC001203664761 1133351640 /nfs/dbraw/zinc/35/16/40/1133351640.db2.gz VPBUTGGRXFVZSL-UHFFFAOYSA-N 0 1 277.751 3.803 20 10 CHCDMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(O)c(O)c1 ZINC001203880455 1133378175 /nfs/dbraw/zinc/37/81/75/1133378175.db2.gz SFDQIJLSKGNLPI-MRXNPFEDSA-N 0 1 283.371 3.607 20 10 CHCDMN C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001204164131 1133411609 /nfs/dbraw/zinc/41/16/09/1133411609.db2.gz YNCPEHMOBPNXPL-MNOVXSKESA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001204164131 1133411610 /nfs/dbraw/zinc/41/16/10/1133411610.db2.gz YNCPEHMOBPNXPL-MNOVXSKESA-N 0 1 253.773 3.666 20 10 CHCDMN CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(F)c1[O-] ZINC001205254344 1133550387 /nfs/dbraw/zinc/55/03/87/1133550387.db2.gz ZGJORNOSLBMNMM-INIZCTEOSA-N 0 1 285.362 3.868 20 10 CHCDMN COC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCCCC1 ZINC001205443242 1133578102 /nfs/dbraw/zinc/57/81/02/1133578102.db2.gz ZGGRZCDZZBMNPT-UHFFFAOYSA-N 0 1 297.826 3.793 20 10 CHCDMN CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001206224976 1133672718 /nfs/dbraw/zinc/67/27/18/1133672718.db2.gz XOMYWTSOGQGCBJ-DGCLKSJQSA-N 0 1 253.773 3.570 20 10 CHCDMN Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1F ZINC001206517343 1133713343 /nfs/dbraw/zinc/71/33/43/1133713343.db2.gz REWGPEMJQGZVSS-UHFFFAOYSA-N 0 1 279.742 3.783 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CC2(C)C)c1[O-] ZINC001206809788 1133751427 /nfs/dbraw/zinc/75/14/27/1133751427.db2.gz MFAJTXYPYVOGEI-LLVKDONJSA-N 0 1 283.799 3.532 20 10 CHCDMN Cc1cc(Nc2ccc(F)cc2O)c2ccccc2n1 ZINC001210013992 1134122724 /nfs/dbraw/zinc/12/27/24/1134122724.db2.gz ASTBKQJJAARDSF-UHFFFAOYSA-N 0 1 268.291 3.553 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCc2ccccc21 ZINC000404789707 1134949481 /nfs/dbraw/zinc/94/94/81/1134949481.db2.gz NOXKOGMAILICOW-CYBMUJFWSA-N 0 1 285.362 3.693 20 10 CHCDMN O=C1C=CC(=N[N-]c2cccc[nH+]2)C(OC[C@H]2CCCO2)=C1 ZINC001227488265 1135840303 /nfs/dbraw/zinc/84/03/03/1135840303.db2.gz FHODYYDFLPQVFF-NIVDNSEKSA-N 0 1 299.330 3.760 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc2ccccc2c1[O-] ZINC000035733329 172384473 /nfs/dbraw/zinc/38/44/73/172384473.db2.gz KISHOLLKQCIINH-VXGBXAGGSA-N 0 1 255.361 3.995 20 10 CHCDMN C[C@H]([NH2+]CC1CCC1)c1ccc2ccccc2c1[O-] ZINC000037180090 173013017 /nfs/dbraw/zinc/01/30/17/173013017.db2.gz TURCJEWSAQXDKR-LBPRGKRZSA-N 0 1 255.361 3.996 20 10 CHCDMN COc1ccc(O)c(CN[C@H](C)c2c(F)cccc2F)c1 ZINC000037771991 260116308 /nfs/dbraw/zinc/11/63/08/260116308.db2.gz KIXSRSVXSRMGRT-SNVBAGLBSA-N 0 1 293.313 3.530 20 10 CHCDMN CCOCCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185070883 262040484 /nfs/dbraw/zinc/04/04/84/262040484.db2.gz MFFYNIDSLKJDEL-LLVKDONJSA-N 0 1 271.788 3.513 20 10 CHCDMN CCc1nc([C@@H](C)N[C@H](C)c2cc(F)ccc2O)cs1 ZINC000185427179 262053797 /nfs/dbraw/zinc/05/37/97/262053797.db2.gz NRBKNZBDTTVXBA-NXEZZACHSA-N 0 1 294.395 3.962 20 10 CHCDMN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185438926 262054071 /nfs/dbraw/zinc/05/40/71/262054071.db2.gz DDRSNLBTGONYTA-DCGLDWPTSA-N 0 1 287.403 3.603 20 10 CHCDMN COCCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000186133890 262081292 /nfs/dbraw/zinc/08/12/92/262081292.db2.gz PESLXTRHDXQREW-NSHDSACASA-N 0 1 283.799 3.513 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000230667643 333320356 /nfs/dbraw/zinc/32/03/56/333320356.db2.gz CRXMAJSUWQSBDJ-WCQYABFASA-N 0 1 273.401 3.702 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000273534653 334766710 /nfs/dbraw/zinc/76/67/10/334766710.db2.gz XECQLVUGNYPRIW-VNHYZAJKSA-N 0 1 285.387 3.764 20 10 CHCDMN COc1ccc(C)cc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000079249401 523852767 /nfs/dbraw/zinc/85/27/67/523852767.db2.gz STEITIMCBVELDM-CQSZACIVSA-N 0 1 297.398 3.789 20 10 CHCDMN Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000050225166 524584035 /nfs/dbraw/zinc/58/40/35/524584035.db2.gz HJZCQOAEKYMVCC-UHFFFAOYSA-N 0 1 267.781 3.705 20 10 CHCDMN C[C@@]12CC[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]1C2(F)F ZINC000292817711 525912573 /nfs/dbraw/zinc/91/25/73/525912573.db2.gz PNIAVRXZIWPXEM-WCQYABFASA-N 0 1 287.737 3.523 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1C ZINC000251608592 1125469100 /nfs/dbraw/zinc/46/91/00/1125469100.db2.gz BZRFDNOIEJTVHA-MNOVXSKESA-N 0 1 298.224 3.775 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1C2CCCC1CCC2 ZINC000707157534 1121450278 /nfs/dbraw/zinc/45/02/78/1121450278.db2.gz XPNNNBAJDVZDHE-UHFFFAOYSA-N 0 1 265.784 3.953 20 10 CHCDMN CC(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001179974144 1121932918 /nfs/dbraw/zinc/93/29/18/1121932918.db2.gz KIFNRMAJLXERPS-LLVKDONJSA-N 0 1 253.773 3.524 20 10 CHCDMN CC(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001179974144 1121932924 /nfs/dbraw/zinc/93/29/24/1121932924.db2.gz KIFNRMAJLXERPS-LLVKDONJSA-N 0 1 253.773 3.524 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001203580349 1122251084 /nfs/dbraw/zinc/25/10/84/1122251084.db2.gz NFKPVZSTPVAXPS-VIRWGQHYSA-N 0 1 290.165 3.631 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])CCC1(F)F ZINC001203650915 1122414873 /nfs/dbraw/zinc/41/48/73/1122414873.db2.gz GGXNRNZVOLMGER-JTQLQIEISA-N 0 1 289.753 3.913 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])CCC1(F)F ZINC001203650915 1122414875 /nfs/dbraw/zinc/41/48/75/1122414875.db2.gz GGXNRNZVOLMGER-JTQLQIEISA-N 0 1 289.753 3.913 20 10 CHCDMN C[N@H+](Cc1ccc(Cl)cc1[O-])CC1CCCC1 ZINC001140465595 1131750712 /nfs/dbraw/zinc/75/07/12/1131750712.db2.gz NYTXJAUGRZGBIS-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000842927890 1132477295 /nfs/dbraw/zinc/47/72/95/1132477295.db2.gz GOAOHEAGTICRAJ-YGOYTEALSA-N 0 1 271.813 3.590 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC12CC2 ZINC001233451393 1132624525 /nfs/dbraw/zinc/62/45/25/1132624525.db2.gz IWTIKLMBULJMHY-UHFFFAOYSA-N 0 1 271.282 3.539 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCCC12CC2 ZINC001233451393 1132624532 /nfs/dbraw/zinc/62/45/32/1132624532.db2.gz IWTIKLMBULJMHY-UHFFFAOYSA-N 0 1 271.282 3.539 20 10 CHCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000251983473 1125530580 /nfs/dbraw/zinc/53/05/80/1125530580.db2.gz YVTIHNGCIJUMQJ-JTNHKYCSSA-N 0 1 267.800 3.960 20 10 CHCDMN CC[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134906499 1125570103 /nfs/dbraw/zinc/57/01/03/1125570103.db2.gz FWDCCVOSVGASAR-DTWKUNHWSA-N 0 1 272.186 3.604 20 10 CHCDMN CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841755525 1125592485 /nfs/dbraw/zinc/59/24/85/1125592485.db2.gz IHNDGUOIAAIRLV-WDEREUQCSA-N 0 1 293.798 3.674 20 10 CHCDMN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000136819854 1125647550 /nfs/dbraw/zinc/64/75/50/1125647550.db2.gz ANPCJPKVEYGTCG-MFKMUULPSA-N 0 1 253.773 3.809 20 10 CHCDMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000136819854 1125647555 /nfs/dbraw/zinc/64/75/55/1125647555.db2.gz ANPCJPKVEYGTCG-MFKMUULPSA-N 0 1 253.773 3.809 20 10 CHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000793231495 1130532200 /nfs/dbraw/zinc/53/22/00/1130532200.db2.gz OPZYBCNIWWCXGU-WPRPVWTQSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2ccccc2O)[C@H]1c1ccccc1 ZINC000245585646 1129213032 /nfs/dbraw/zinc/21/30/32/1129213032.db2.gz DKAZEJLOWUVRGO-CXAGYDPISA-N 0 1 253.345 3.585 20 10 CHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cncs2)cc1 ZINC000268900134 1127027681 /nfs/dbraw/zinc/02/76/81/1127027681.db2.gz WFZYTGXPQJHHLI-ZDUSSCGKSA-N 0 1 289.448 3.840 20 10 CHCDMN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000270665620 1127059714 /nfs/dbraw/zinc/05/97/14/1127059714.db2.gz PHFCZVMSNGVLAD-IAQYHMDHSA-N 0 1 297.826 3.729 20 10 CHCDMN CC[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236801121 1131012308 /nfs/dbraw/zinc/01/23/08/1131012308.db2.gz DDZIJPNIZQHODW-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN CC[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236801121 1131012313 /nfs/dbraw/zinc/01/23/13/1131012313.db2.gz DDZIJPNIZQHODW-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000028890772 1127096584 /nfs/dbraw/zinc/09/65/84/1127096584.db2.gz WKDYXUGHDSLNJQ-UHFFFAOYSA-N 0 1 278.355 3.572 20 10 CHCDMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000028890772 1127096587 /nfs/dbraw/zinc/09/65/87/1127096587.db2.gz WKDYXUGHDSLNJQ-UHFFFAOYSA-N 0 1 278.355 3.572 20 10 CHCDMN Cc1nnc([C@@H](C)N[C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000274150155 1127109940 /nfs/dbraw/zinc/10/99/40/1127109940.db2.gz FGJSIUDYEICJOF-GHMZBOCLSA-N 0 1 291.420 3.581 20 10 CHCDMN CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000760655457 1127146376 /nfs/dbraw/zinc/14/63/76/1127146376.db2.gz YGTQEIQOBNCUFH-SNVBAGLBSA-N 0 1 281.705 3.866 20 10 CHCDMN CCc1ccc(CNCc2ccc(N(CC)CC)cc2)o1 ZINC000760657153 1127149832 /nfs/dbraw/zinc/14/98/32/1127149832.db2.gz PFNMCUJUMNWVKN-UHFFFAOYSA-N 0 1 286.419 3.978 20 10 CHCDMN Cc1cc(C)c(O)c(CN(C)Cc2cc(Cl)cn2C)c1 ZINC000164485940 1127167881 /nfs/dbraw/zinc/16/78/81/1127167881.db2.gz MXMWMCJLSVOZQT-UHFFFAOYSA-N 0 1 292.810 3.633 20 10 CHCDMN CSCCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552090 1131109631 /nfs/dbraw/zinc/10/96/31/1131109631.db2.gz AJUUTXJYNMAOAW-UHFFFAOYSA-N 0 1 275.417 3.778 20 10 CHCDMN [O-]c1c(C[NH2+]CCC(F)(F)F)ccc2ccccc21 ZINC000816554034 1131110243 /nfs/dbraw/zinc/11/02/43/1131110243.db2.gz NGQITVPILSGGAQ-UHFFFAOYSA-N 0 1 269.266 3.587 20 10 CHCDMN CCC(CC)[N@@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950693 1131154533 /nfs/dbraw/zinc/15/45/33/1131154533.db2.gz YYPYWJNNLBUPJU-UHFFFAOYSA-N 0 1 259.752 3.805 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])CC1CCC(=O)CC1 ZINC000295411305 1127642085 /nfs/dbraw/zinc/64/20/85/1127642085.db2.gz SPTHBQGUQVLJBE-UHFFFAOYSA-N 0 1 289.419 3.754 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])CC1CCC(=O)CC1 ZINC000295411305 1127642087 /nfs/dbraw/zinc/64/20/87/1127642087.db2.gz SPTHBQGUQVLJBE-UHFFFAOYSA-N 0 1 289.419 3.754 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCCCC[C@@H]2C)cc1Cl ZINC001232264056 1127653693 /nfs/dbraw/zinc/65/36/93/1127653693.db2.gz DPFLEONZJDKBBX-NSHDSACASA-N 0 1 283.799 3.819 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCCCC[C@@H]2C)cc1Cl ZINC001232264056 1127653695 /nfs/dbraw/zinc/65/36/95/1127653695.db2.gz DPFLEONZJDKBBX-NSHDSACASA-N 0 1 283.799 3.819 20 10 CHCDMN [O-]c1c(F)cccc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001138128557 1127767538 /nfs/dbraw/zinc/76/75/38/1127767538.db2.gz RFTWUZGRKGYQDY-UHFFFAOYSA-N 0 1 283.346 3.821 20 10 CHCDMN CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000230660056 1127772009 /nfs/dbraw/zinc/77/20/09/1127772009.db2.gz SYCVKNABKBPLRG-HIFRSBDPSA-N 0 1 287.403 3.603 20 10 CHCDMN CCC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233334874 1127953058 /nfs/dbraw/zinc/95/30/58/1127953058.db2.gz XKMDKISJGPHUFX-LLVKDONJSA-N 0 1 269.335 3.825 20 10 CHCDMN CN(Cc1ccco1)Cc1ccc(N2CCCCC2)cc1 ZINC000155244572 1128602972 /nfs/dbraw/zinc/60/29/72/1128602972.db2.gz HTIPNXMJFUIBND-UHFFFAOYSA-N 0 1 284.403 3.902 20 10 CHCDMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779005611 1128676482 /nfs/dbraw/zinc/67/64/82/1128676482.db2.gz MASWOEHAOJSAJP-CQSZACIVSA-N 0 1 285.362 3.829 20 10 CHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000779021056 1128684613 /nfs/dbraw/zinc/68/46/13/1128684613.db2.gz QQOZUANLJKSUFP-KRWDZBQOSA-N 0 1 275.367 3.854 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000211394551 1118024858 /nfs/dbraw/zinc/02/48/58/1118024858.db2.gz GRTAKSSLKHDWKH-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC000211394551 1118024862 /nfs/dbraw/zinc/02/48/62/1118024862.db2.gz GRTAKSSLKHDWKH-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC000211394551 1118024866 /nfs/dbraw/zinc/02/48/66/1118024866.db2.gz GRTAKSSLKHDWKH-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1F ZINC000779151209 1128752905 /nfs/dbraw/zinc/75/29/05/1128752905.db2.gz VSMHNPYEGFYKIQ-MAUKXSAKSA-N 0 1 290.426 3.857 20 10 CHCDMN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1F ZINC000779151206 1128753107 /nfs/dbraw/zinc/75/31/07/1128753107.db2.gz VSMHNPYEGFYKIQ-CRAIPNDOSA-N 0 1 290.426 3.857 20 10 CHCDMN C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000211564784 1118074261 /nfs/dbraw/zinc/07/42/61/1118074261.db2.gz DIVBQGAHOYJBMM-GHMZBOCLSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000211564784 1118074266 /nfs/dbraw/zinc/07/42/66/1118074266.db2.gz DIVBQGAHOYJBMM-GHMZBOCLSA-N 0 1 253.773 3.666 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(F)cc1 ZINC000083551142 1118166650 /nfs/dbraw/zinc/16/66/50/1118166650.db2.gz HEWGMKBJOSGURX-UHFFFAOYSA-N 0 1 279.742 3.517 20 10 CHCDMN C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(F)cc(F)c1[O-] ZINC001205215200 1118184792 /nfs/dbraw/zinc/18/47/92/1118184792.db2.gz DJTCWZOVEVXNHR-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000083552327 1118356628 /nfs/dbraw/zinc/35/66/28/1118356628.db2.gz OUQMSINLFBUNIC-UHFFFAOYSA-N 0 1 297.732 3.656 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000088706268 1118524728 /nfs/dbraw/zinc/52/47/28/1118524728.db2.gz UMQRYLJWAMOUMB-QWRGUYRKSA-N 0 1 295.810 3.869 20 10 CHCDMN CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000834906588 1118623546 /nfs/dbraw/zinc/62/35/46/1118623546.db2.gz XVRJOZNSBJUGIQ-DOMZBBRYSA-N 0 1 297.826 3.903 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000051630678 1119059444 /nfs/dbraw/zinc/05/94/44/1119059444.db2.gz ZHKOWDWZKJTYIZ-INIZCTEOSA-N 0 1 287.790 3.693 20 10 CHCDMN C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000226160829 1119108312 /nfs/dbraw/zinc/10/83/12/1119108312.db2.gz BUQWTCVHMQURBA-SUNKGSAMSA-N 0 1 267.800 3.960 20 10 CHCDMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000708455630 1119468552 /nfs/dbraw/zinc/46/85/52/1119468552.db2.gz XDYLXSSLERIJFR-CYBMUJFWSA-N 0 1 265.372 3.789 20 10 CHCDMN CC1CCN(CCSc2ncc(Cl)s2)CC1 ZINC000850000392 1119601948 /nfs/dbraw/zinc/60/19/48/1119601948.db2.gz SYQVKOMBTGTMLZ-UHFFFAOYSA-N 0 1 276.858 3.621 20 10 CHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccccc2)c1[O-] ZINC000181377472 1128875270 /nfs/dbraw/zinc/87/52/70/1128875270.db2.gz ULROWBWDWCJRBQ-NSHDSACASA-N 0 1 287.334 3.585 20 10 CHCDMN C[C@@H](N[C@@H](C)c1cscn1)c1ccc(Cl)cc1O ZINC000850512206 1119963948 /nfs/dbraw/zinc/96/39/48/1119963948.db2.gz YGEJJQOOLYLYMB-BDAKNGLRSA-N 0 1 282.796 3.914 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCCCC[C@@H]2C)c(Cl)c1 ZINC001236797722 1128893401 /nfs/dbraw/zinc/89/34/01/1128893401.db2.gz AIXCYRHFTRZFFB-NSHDSACASA-N 0 1 283.799 3.819 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCCCC[C@@H]2C)c(Cl)c1 ZINC001236797722 1128893403 /nfs/dbraw/zinc/89/34/03/1128893403.db2.gz AIXCYRHFTRZFFB-NSHDSACASA-N 0 1 283.799 3.819 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc2ccccc2c1[O-] ZINC000328416168 1120175140 /nfs/dbraw/zinc/17/51/40/1120175140.db2.gz IKSCIWPHERUZHG-WBMJQRKESA-N 0 1 285.387 3.764 20 10 CHCDMN CC(C)(C)c1cccc(CN2CCc3cnccc3C2)c1O ZINC001143104291 1120350605 /nfs/dbraw/zinc/35/06/05/1120350605.db2.gz RRZRNBJYXKBPTH-UHFFFAOYSA-N 0 1 296.414 3.643 20 10 CHCDMN CN(C)c1ccc(CNCc2ccsc2Cl)cc1 ZINC000312560741 1120480940 /nfs/dbraw/zinc/48/09/40/1120480940.db2.gz NVLOIIAHJDBBCI-UHFFFAOYSA-N 0 1 280.824 3.757 20 10 CHCDMN CCOCCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000019962917 1120554461 /nfs/dbraw/zinc/55/44/61/1120554461.db2.gz MAOIRKYPIGHCKS-CYBMUJFWSA-N 0 1 273.376 3.623 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922587189 1120558905 /nfs/dbraw/zinc/55/89/05/1120558905.db2.gz YGWXKUDCZLGRRR-INIZCTEOSA-N 0 1 288.778 3.682 20 10 CHCDMN CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756606151 1120595967 /nfs/dbraw/zinc/59/59/67/1120595967.db2.gz VXBMAZZACBQRHO-BLLLJJGKSA-N 0 1 299.842 3.883 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C ZINC000162897167 1120924060 /nfs/dbraw/zinc/92/40/60/1120924060.db2.gz DGVBSGOMCNGWMY-MNOVXSKESA-N 0 1 298.224 3.633 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000105486525 1120978763 /nfs/dbraw/zinc/97/87/63/1120978763.db2.gz AQBKMTUEDXNZJN-AWEZNQCLSA-N 0 1 289.762 3.528 20 10 CHCDMN COCC1(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)CCC1 ZINC000840949551 1121021006 /nfs/dbraw/zinc/02/10/06/1121021006.db2.gz XHLGWSQQNTZEFG-UHFFFAOYSA-N 0 1 297.826 3.650 20 10 CHCDMN COc1ccc(Cl)cc1NCc1ccc(F)c(F)c1O ZINC000700763269 1121121201 /nfs/dbraw/zinc/12/12/01/1121121201.db2.gz BQRQRKQIUDZYGU-UHFFFAOYSA-N 0 1 299.704 3.945 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000113330902 1121271690 /nfs/dbraw/zinc/27/16/90/1121271690.db2.gz DGSGFPQDPLBKEW-UHFFFAOYSA-N 0 1 286.762 3.817 20 10 CHCDMN C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(Br)ccc1[O-] ZINC000706497665 1121432370 /nfs/dbraw/zinc/43/23/70/1121432370.db2.gz DPZQPZLIWWJVKR-NXEZZACHSA-N 0 1 284.197 3.528 20 10 CHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CC12CCCC2 ZINC000706868290 1121441943 /nfs/dbraw/zinc/44/19/43/1121441943.db2.gz AUPIVCDQEYUTSC-CYBMUJFWSA-N 0 1 296.208 3.577 20 10 CHCDMN C[C@H](NCc1csc(C2CC2)n1)c1ccccc1O ZINC000708228056 1121464017 /nfs/dbraw/zinc/46/40/17/1121464017.db2.gz OQVHJRPLWWJWFV-JTQLQIEISA-N 0 1 274.389 3.577 20 10 CHCDMN CC1CCN(c2ccc(CNCc3ccoc3)cc2)CC1 ZINC000731041699 1121844026 /nfs/dbraw/zinc/84/40/26/1121844026.db2.gz PRUTZZRYEGMMKF-UHFFFAOYSA-N 0 1 284.403 3.806 20 10 CHCDMN CCC[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)OCC ZINC001179248093 1121863877 /nfs/dbraw/zinc/86/38/77/1121863877.db2.gz NGLNVYABJQKOAO-LBPRGKRZSA-N 0 1 285.815 3.649 20 10 CHCDMN CCN(C)c1ccc(CN[C@@H](C)c2c(C)noc2C)cc1 ZINC000773815102 1121881530 /nfs/dbraw/zinc/88/15/30/1121881530.db2.gz YQOSKABGCZOBIF-LBPRGKRZSA-N 0 1 287.407 3.598 20 10 CHCDMN CN(C)c1cc(F)c(CNC(C)(C)/C=C\Cl)cc1F ZINC001179626397 1121897705 /nfs/dbraw/zinc/89/77/05/1121897705.db2.gz IUBHKGSYBVEBFR-WAYWQWQTSA-N 0 1 288.769 3.652 20 10 CHCDMN CC(C)[C@H]1[N@@H+](Cc2cccc(F)c2[O-])CC12CCCC2 ZINC001182336181 1122145970 /nfs/dbraw/zinc/14/59/70/1122145970.db2.gz YDBZVOVGADCZFB-MRXNPFEDSA-N 0 1 277.383 3.932 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CC2(C)C)c(Cl)c1 ZINC001183074290 1122202125 /nfs/dbraw/zinc/20/21/25/1122202125.db2.gz DIKSQLBZMIREMS-LLVKDONJSA-N 0 1 267.800 3.832 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CC2(C)C)c(Cl)c1 ZINC001183074290 1122202132 /nfs/dbraw/zinc/20/21/32/1122202132.db2.gz DIKSQLBZMIREMS-LLVKDONJSA-N 0 1 267.800 3.832 20 10 CHCDMN Cc1csc([C@@H](C)C[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000273341144 1122229418 /nfs/dbraw/zinc/22/94/18/1122229418.db2.gz AJBITWQWJLLRIB-VIFPVBQESA-N 0 1 296.823 3.704 20 10 CHCDMN CCc1cnc(CN[C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000273621762 1122240914 /nfs/dbraw/zinc/24/09/14/1122240914.db2.gz ZGSGPCMTTHCXDQ-LBPRGKRZSA-N 0 1 290.432 3.879 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711498574 1122296857 /nfs/dbraw/zinc/29/68/57/1122296857.db2.gz QHMUFHXGXCBOAF-ZDUSSCGKSA-N 0 1 273.351 3.727 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711498574 1122296860 /nfs/dbraw/zinc/29/68/60/1122296860.db2.gz QHMUFHXGXCBOAF-ZDUSSCGKSA-N 0 1 273.351 3.727 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CC1(C)C ZINC001203664212 1122432014 /nfs/dbraw/zinc/43/20/14/1122432014.db2.gz RBEFSGWHPLWVLH-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CC1(C)C ZINC001203664212 1122432016 /nfs/dbraw/zinc/43/20/16/1122432016.db2.gz RBEFSGWHPLWVLH-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN CCc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775365110 1122528019 /nfs/dbraw/zinc/52/80/19/1122528019.db2.gz SWXGAGWJXKVKFW-ZDUSSCGKSA-N 0 1 272.392 3.759 20 10 CHCDMN Cc1ccc(O)c(CN[C@H](C)c2c(F)cccc2F)c1 ZINC000071408075 1129062614 /nfs/dbraw/zinc/06/26/14/1129062614.db2.gz MDMIWHAUTGBQHY-LLVKDONJSA-N 0 1 277.314 3.830 20 10 CHCDMN CC[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775501743 1122628874 /nfs/dbraw/zinc/62/88/74/1122628874.db2.gz KTDWBYZGDNWZGU-NHYWBVRUSA-N 0 1 296.842 3.569 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)CSC)c1cc(Cl)ccc1[O-] ZINC000775508623 1122629747 /nfs/dbraw/zinc/62/97/47/1122629747.db2.gz DNOAAHOFQUQIDA-JOYOIKCWSA-N 0 1 273.829 3.838 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775514393 1122635413 /nfs/dbraw/zinc/63/54/13/1122635413.db2.gz USSYYNJNVLJBQC-XHDPSFHLSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@H]([NH2+]CCC1CC1)c1cc(Cl)ccc1[O-] ZINC000775525222 1122641834 /nfs/dbraw/zinc/64/18/34/1122641834.db2.gz FBRJDQNCOJVNMG-ZDUSSCGKSA-N 0 1 253.773 3.886 20 10 CHCDMN CC[C@H]([NH2+]CC1(OC)CCC1)c1cc(Cl)ccc1[O-] ZINC000775547304 1122658540 /nfs/dbraw/zinc/65/85/40/1122658540.db2.gz PUHQJCPARNSMAW-ZDUSSCGKSA-N 0 1 283.799 3.655 20 10 CHCDMN C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775648358 1122860009 /nfs/dbraw/zinc/86/00/09/1122860009.db2.gz FGRCBDRZCIMZOI-VIFPVBQESA-N 0 1 283.730 3.971 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000775670159 1122884987 /nfs/dbraw/zinc/88/49/87/1122884987.db2.gz UQRYCZBWMKGIOX-AWEZNQCLSA-N 0 1 283.774 3.949 20 10 CHCDMN CSC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775725232 1122926729 /nfs/dbraw/zinc/92/67/29/1122926729.db2.gz VPOBTMTUAFUWHB-LLVKDONJSA-N 0 1 289.803 3.512 20 10 CHCDMN CCC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC001200864042 1123062119 /nfs/dbraw/zinc/06/21/19/1123062119.db2.gz PUXABDXEJLFAHK-UHFFFAOYSA-N 0 1 253.773 3.634 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000776177304 1123102458 /nfs/dbraw/zinc/10/24/58/1123102458.db2.gz MJXVLHXGUCSQCG-CJNGLKHVSA-N 0 1 287.790 3.766 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000776177302 1123102494 /nfs/dbraw/zinc/10/24/94/1123102494.db2.gz MJXVLHXGUCSQCG-BBRMVZONSA-N 0 1 287.790 3.766 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)CCC(C)(C)C)c(Cl)c1 ZINC001202159250 1123180371 /nfs/dbraw/zinc/18/03/71/1123180371.db2.gz SCYUJLQPKGSUEW-LBPRGKRZSA-N 0 1 299.842 3.631 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000850386326 1123261235 /nfs/dbraw/zinc/26/12/35/1123261235.db2.gz HSZSMWGFEIMKAQ-HNNXBMFYSA-N 0 1 289.762 3.528 20 10 CHCDMN COc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1C ZINC000850416172 1123264452 /nfs/dbraw/zinc/26/44/52/1123264452.db2.gz CMZRDBDFMQQCLH-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(Cl)cc1[O-] ZINC000850536154 1123286946 /nfs/dbraw/zinc/28/69/46/1123286946.db2.gz HPMWFPDXXMFWGO-PELKAZGASA-N 0 1 275.726 3.742 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(Cl)cc1[O-] ZINC000850553202 1123290031 /nfs/dbraw/zinc/29/00/31/1123290031.db2.gz TZJMQSLDDJEHIC-UFBFGSQYSA-N 0 1 289.753 3.988 20 10 CHCDMN C[C@@H]1C[NH+](Cc2c([O-])ccc3ccccc32)C[C@H]1C ZINC000097987277 1123577266 /nfs/dbraw/zinc/57/72/66/1123577266.db2.gz UILOYEPJVHVSKG-CHWSQXEVSA-N 0 1 255.361 3.633 20 10 CHCDMN Cc1csc(CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858172569 1123635955 /nfs/dbraw/zinc/63/59/55/1123635955.db2.gz CBWJTAKOJOSMOO-UHFFFAOYSA-N 0 1 296.386 3.691 20 10 CHCDMN COCCC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000862437922 1123810323 /nfs/dbraw/zinc/81/03/23/1123810323.db2.gz VQTCOOLJYKGJGT-UHFFFAOYSA-N 0 1 297.826 3.603 20 10 CHCDMN COc1cccc2c1CN(Cc1cccc(Cl)c1O)C2 ZINC000862528942 1123817062 /nfs/dbraw/zinc/81/70/62/1123817062.db2.gz FOSDSANTEFRDLC-UHFFFAOYSA-N 0 1 289.762 3.570 20 10 CHCDMN Oc1cccc(Cl)c1CNCc1cc(F)ccc1F ZINC000083552488 1129150672 /nfs/dbraw/zinc/15/06/72/1129150672.db2.gz UQOAOWFOCIIELR-UHFFFAOYSA-N 0 1 283.705 3.614 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000866499084 1124073260 /nfs/dbraw/zinc/07/32/60/1124073260.db2.gz FESCQKLXJXEPPK-BDODKLCJSA-N 0 1 279.689 3.647 20 10 CHCDMN C[N@@H+](CCSc1ccc(F)cc1)Cc1ccccc1O ZINC000121139341 1124086051 /nfs/dbraw/zinc/08/60/51/1124086051.db2.gz WIAJMKGPXWVTMK-UHFFFAOYSA-N 0 1 291.391 3.755 20 10 CHCDMN COc1ccc2ccc([O-])c(C[N@H+](C(C)C)C3CC3)c2c1 ZINC000029539665 1124086839 /nfs/dbraw/zinc/08/68/39/1124086839.db2.gz PTVUKGBWPROTHW-UHFFFAOYSA-N 0 1 285.387 3.927 20 10 CHCDMN COc1ccc2ccc([O-])c(C[N@@H+](C(C)C)C3CC3)c2c1 ZINC000029539665 1124086845 /nfs/dbraw/zinc/08/68/45/1124086845.db2.gz PTVUKGBWPROTHW-UHFFFAOYSA-N 0 1 285.387 3.927 20 10 CHCDMN CCN(CC)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000019919344 1124770978 /nfs/dbraw/zinc/77/09/78/1124770978.db2.gz ZYRQKMKGLNSUSU-AWEZNQCLSA-N 0 1 286.419 3.538 20 10 CHCDMN CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825748476 1124854826 /nfs/dbraw/zinc/85/48/26/1124854826.db2.gz CDYHTHQGDISBDB-MRXNPFEDSA-N 0 1 297.826 3.745 20 10 CHCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825748476 1124854832 /nfs/dbraw/zinc/85/48/32/1124854832.db2.gz CDYHTHQGDISBDB-MRXNPFEDSA-N 0 1 297.826 3.745 20 10 CHCDMN [O-]c1c(C[N@H+]2CCSC3(CCC3)CC2)ccc(F)c1F ZINC000877587099 1125050374 /nfs/dbraw/zinc/05/03/74/1125050374.db2.gz DSABSGKWBLGTJR-UHFFFAOYSA-N 0 1 299.386 3.532 20 10 CHCDMN C[C@H](CCc1cccnc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877612699 1125054305 /nfs/dbraw/zinc/05/43/05/1125054305.db2.gz MJXXRYKDPPKSEG-GFCCVEGCSA-N 0 1 290.794 3.552 20 10 CHCDMN CC(C)(O)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000877751463 1125071676 /nfs/dbraw/zinc/07/16/76/1125071676.db2.gz BCCVHHGTMQOELD-UHFFFAOYSA-N 0 1 299.414 3.528 20 10 CHCDMN CCOc1cccc(F)c1CN[C@@H](C)c1ccccc1O ZINC000877758364 1125074368 /nfs/dbraw/zinc/07/43/68/1125074368.db2.gz WBTZNIWNBFBLME-LBPRGKRZSA-N 0 1 289.350 3.781 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000127366646 1125089107 /nfs/dbraw/zinc/08/91/07/1125089107.db2.gz DWOKBXJRZUDSGC-AWEZNQCLSA-N 0 1 276.767 3.711 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000127366646 1125089115 /nfs/dbraw/zinc/08/91/15/1125089115.db2.gz DWOKBXJRZUDSGC-AWEZNQCLSA-N 0 1 276.767 3.711 20 10 CHCDMN COc1ccc(O)c([C@H](C)NCc2ccc(SC)o2)c1 ZINC000883156407 1125374342 /nfs/dbraw/zinc/37/43/42/1125374342.db2.gz NIPOUJXIVVBDEY-JTQLQIEISA-N 0 1 293.388 3.567 20 10 CHCDMN C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cc(Cl)ccc1[O-] ZINC000883382047 1125406795 /nfs/dbraw/zinc/40/67/95/1125406795.db2.gz YUCSYQLPFQTVAR-LLVKDONJSA-N 0 1 295.810 3.655 20 10 CHCDMN CC[N@@H+](Cc1cccc(OC)c1O)C1CCCCC1 ZINC000131771031 1125409683 /nfs/dbraw/zinc/40/96/83/1125409683.db2.gz HABRLANHCNJIBL-UHFFFAOYSA-N 0 1 263.381 3.555 20 10 CHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001237934130 1129219143 /nfs/dbraw/zinc/21/91/43/1129219143.db2.gz HSRQAJZWSPUGHD-GHMZBOCLSA-N 0 1 283.774 3.807 20 10 CHCDMN C[C@@H](NCc1ccccc1O)c1c(F)cccc1F ZINC000037771752 1129267532 /nfs/dbraw/zinc/26/75/32/1129267532.db2.gz KMIIVAJHLRGZAO-SNVBAGLBSA-N 0 1 263.287 3.521 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC1 ZINC000093475820 1129424334 /nfs/dbraw/zinc/42/43/34/1129424334.db2.gz IOAAOKCMXRSUDE-UHFFFAOYSA-N 0 1 260.164 3.683 20 10 CHCDMN CC[N@H+](CC=C(C)C)Cc1cc(Br)ccc1[O-] ZINC000743870886 1129541840 /nfs/dbraw/zinc/54/18/40/1129541840.db2.gz FTPXBMWDAWOQHA-UHFFFAOYSA-N 0 1 298.224 3.943 20 10 CHCDMN CC[N@@H+](CC=C(C)C)Cc1cc(Br)ccc1[O-] ZINC000743870886 1129541843 /nfs/dbraw/zinc/54/18/43/1129541843.db2.gz FTPXBMWDAWOQHA-UHFFFAOYSA-N 0 1 298.224 3.943 20 10 CHCDMN CCOc1ccc(C[N@H+](CC)C2CCCCC2)c([O-])c1 ZINC000768138753 1129835350 /nfs/dbraw/zinc/83/53/50/1129835350.db2.gz SVTJKZYDODHCFI-UHFFFAOYSA-N 0 1 277.408 3.946 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC)C2CCCCC2)c([O-])c1 ZINC000768138753 1129835355 /nfs/dbraw/zinc/83/53/55/1129835355.db2.gz SVTJKZYDODHCFI-UHFFFAOYSA-N 0 1 277.408 3.946 20 10 CHCDMN CCOc1ccc(C[N@H+](C)C2CCCCCC2)c([O-])c1 ZINC000768214093 1129844097 /nfs/dbraw/zinc/84/40/97/1129844097.db2.gz HGAHHFNWWISLFS-UHFFFAOYSA-N 0 1 277.408 3.946 20 10 CHCDMN CCOc1ccc(C[N@@H+](C)C2CCCCCC2)c([O-])c1 ZINC000768214093 1129844101 /nfs/dbraw/zinc/84/41/01/1129844101.db2.gz HGAHHFNWWISLFS-UHFFFAOYSA-N 0 1 277.408 3.946 20 10 CHCDMN CCC[N@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000768291630 1129849435 /nfs/dbraw/zinc/84/94/35/1129849435.db2.gz QZDZAWHFHORCQW-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN CCC[N@@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000768291630 1129849439 /nfs/dbraw/zinc/84/94/39/1129849439.db2.gz QZDZAWHFHORCQW-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN CCOc1ccc(C[N@H+](CC)C2CCCC2)c([O-])c1 ZINC000768336602 1129852408 /nfs/dbraw/zinc/85/24/08/1129852408.db2.gz WWGWORFEBIWVDG-UHFFFAOYSA-N 0 1 263.381 3.555 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC)C2CCCC2)c([O-])c1 ZINC000768336602 1129852412 /nfs/dbraw/zinc/85/24/12/1129852412.db2.gz WWGWORFEBIWVDG-UHFFFAOYSA-N 0 1 263.381 3.555 20 10 CHCDMN CC(C)[N@H+](Cc1cc(Cl)ccc1[O-])CC1CC1 ZINC000768676300 1129868853 /nfs/dbraw/zinc/86/88/53/1129868853.db2.gz WESAKUKOLIDHJA-UHFFFAOYSA-N 0 1 253.773 3.666 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000769246263 1129898923 /nfs/dbraw/zinc/89/89/23/1129898923.db2.gz YWJDUBITKRWGNV-AWEZNQCLSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000769246263 1129898929 /nfs/dbraw/zinc/89/89/29/1129898929.db2.gz YWJDUBITKRWGNV-AWEZNQCLSA-N 0 1 265.784 3.810 20 10 CHCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CC1 ZINC000769404183 1129906545 /nfs/dbraw/zinc/90/65/45/1129906545.db2.gz KHXJTSNSJZFVMJ-UHFFFAOYSA-N 0 1 274.191 3.931 20 10 CHCDMN C[C@H]([N@@H+](C)Cc1cc(Cl)ccc1[O-])C1(C)CC1 ZINC000770288725 1129943774 /nfs/dbraw/zinc/94/37/74/1129943774.db2.gz OLRJACVSFLNMAI-JTQLQIEISA-N 0 1 253.773 3.666 20 10 CHCDMN CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1[O-] ZINC000770505281 1129947912 /nfs/dbraw/zinc/94/79/12/1129947912.db2.gz NIEKWBKHMVGUBL-QGZVFWFLSA-N 0 1 269.388 3.845 20 10 CHCDMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000770505281 1129947915 /nfs/dbraw/zinc/94/79/15/1129947915.db2.gz NIEKWBKHMVGUBL-QGZVFWFLSA-N 0 1 269.388 3.845 20 10 CHCDMN C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccccc1O ZINC000770504538 1129948301 /nfs/dbraw/zinc/94/83/01/1129948301.db2.gz IKULQSMJYLAOST-NSHDSACASA-N 0 1 289.325 3.790 20 10 CHCDMN CCOc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(O)c1 ZINC000771939246 1129996888 /nfs/dbraw/zinc/99/68/88/1129996888.db2.gz OOKYXKFJNINUIY-KRWDZBQOSA-N 0 1 283.371 3.738 20 10 CHCDMN C[N@H+](CCOc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000771932052 1129999417 /nfs/dbraw/zinc/99/94/17/1129999417.db2.gz UCRGLKPYCZQHBN-UHFFFAOYSA-N 0 1 291.778 3.556 20 10 CHCDMN C[N@@H+](CCOc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000771932052 1129999420 /nfs/dbraw/zinc/99/94/20/1129999420.db2.gz UCRGLKPYCZQHBN-UHFFFAOYSA-N 0 1 291.778 3.556 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1ccc(Cl)cc1[O-] ZINC000903388770 1130169616 /nfs/dbraw/zinc/16/96/16/1130169616.db2.gz 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ZINC001237948744 1131155182 /nfs/dbraw/zinc/15/51/82/1131155182.db2.gz HVHOURRDZCIJJC-UHFFFAOYSA-N 0 1 269.747 3.703 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]Cc2cc(C)nc(C)c2)c(Cl)c1 ZINC000817410031 1131160682 /nfs/dbraw/zinc/16/06/82/1131160682.db2.gz IGIBQFALSGYCLG-UHFFFAOYSA-N 0 1 290.794 3.656 20 10 CHCDMN CCOc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1C ZINC001238077497 1131168284 /nfs/dbraw/zinc/16/82/84/1131168284.db2.gz RXHCKUXRXWPCKH-UHFFFAOYSA-N 0 1 285.387 3.731 20 10 CHCDMN CC[C@H]([NH2+]CCCC1(O)CCC1)c1cc(Cl)ccc1[O-] ZINC000817587090 1131174418 /nfs/dbraw/zinc/17/44/18/1131174418.db2.gz UGWPFCZBJWIQEE-AWEZNQCLSA-N 0 1 297.826 3.782 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Cl)ccc1[O-] ZINC000818356925 1131211211 /nfs/dbraw/zinc/21/12/11/1131211211.db2.gz SPXYNVMWOQKRDY-WCQYABFASA-N 0 1 251.757 3.639 20 10 CHCDMN Cc1cc(C[N@H+]2CCc3cccc(O)c3C2)cnc1C1CC1 ZINC001238622938 1131224282 /nfs/dbraw/zinc/22/42/82/1131224282.db2.gz GFFVYMCIBUOBSH-UHFFFAOYSA-N 0 1 294.398 3.531 20 10 CHCDMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1c([O-])cccc1F ZINC001137832044 1131420698 /nfs/dbraw/zinc/42/06/98/1131420698.db2.gz YGOSCCLAHUBBBN-GFCCVEGCSA-N 0 1 271.335 3.651 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001137837668 1131421182 /nfs/dbraw/zinc/42/11/82/1131421182.db2.gz QJUJBCSCAAJMAH-HNNXBMFYSA-N 0 1 285.362 3.596 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001137839064 1131421597 /nfs/dbraw/zinc/42/15/97/1131421597.db2.gz PYCGGYBIRMKDDC-UHFFFAOYSA-N 0 1 281.346 3.636 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000227372495 1131461477 /nfs/dbraw/zinc/46/14/77/1131461477.db2.gz WVZIHYXFSPNKBD-WZRBSPASSA-N 0 1 251.345 3.761 20 10 CHCDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2[O-])cn1 ZINC001138129595 1131469471 /nfs/dbraw/zinc/46/94/71/1131469471.db2.gz LWJBIALYYPVGLE-INIZCTEOSA-N 0 1 286.350 3.572 20 10 CHCDMN C[N@@H+](Cc1cccc(F)c1[O-])C(C)(C)Cc1ccccc1 ZINC001138129431 1131469901 /nfs/dbraw/zinc/46/99/01/1131469901.db2.gz CFRIYTPESYGZHI-UHFFFAOYSA-N 0 1 287.378 3.984 20 10 CHCDMN Cc1c(CN(C)Cc2cccnc2)c2ccccc2n1C ZINC001138252312 1131482498 /nfs/dbraw/zinc/48/24/98/1131482498.db2.gz BSPPFAVZMYZZRB-UHFFFAOYSA-N 0 1 279.387 3.514 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824942351 1131490540 /nfs/dbraw/zinc/49/05/40/1131490540.db2.gz YUUKGCUGFCHSQE-ZFWWWQNUSA-N 0 1 277.795 3.666 20 10 CHCDMN CS[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825320943 1131506331 /nfs/dbraw/zinc/50/63/31/1131506331.db2.gz QPISMYVCNIKGHP-NEPJUHHUSA-N 0 1 285.840 3.728 20 10 CHCDMN COC1CCC(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825330639 1131507763 /nfs/dbraw/zinc/50/77/63/1131507763.db2.gz BDKWGGIMWKGNKP-UHFFFAOYSA-N 0 1 297.826 3.649 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C[C@H]1C ZINC001139685680 1131628718 /nfs/dbraw/zinc/62/87/18/1131628718.db2.gz SRRCPMKWGHHGFH-GHMZBOCLSA-N 0 1 269.335 3.538 20 10 CHCDMN CCN(Cc1ccccc1O)Cc1ccc(O)cc1Cl ZINC001140084320 1131662904 /nfs/dbraw/zinc/66/29/04/1131662904.db2.gz WUWCORGPSJCXAB-UHFFFAOYSA-N 0 1 291.778 3.773 20 10 CHCDMN COc1cccc2c1CN(Cc1c(C)ccc(C)c1O)C2 ZINC001140183214 1131674219 /nfs/dbraw/zinc/67/42/19/1131674219.db2.gz AEYHTGBQXQQNNT-UHFFFAOYSA-N 0 1 283.371 3.533 20 10 CHCDMN CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CS1 ZINC000846054483 1131685471 /nfs/dbraw/zinc/68/54/71/1131685471.db2.gz BZEKFQFHSNGLNZ-JSGCOSHPSA-N 0 1 285.840 3.665 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000846117850 1131688108 /nfs/dbraw/zinc/68/81/08/1131688108.db2.gz RWJPIGWUHHHBAE-ZDUSSCGKSA-N 0 1 287.737 3.585 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000846117850 1131688109 /nfs/dbraw/zinc/68/81/09/1131688109.db2.gz RWJPIGWUHHHBAE-ZDUSSCGKSA-N 0 1 287.737 3.585 20 10 CHCDMN F[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000846122514 1131689011 /nfs/dbraw/zinc/68/90/11/1131689011.db2.gz NIODENSVNNBKMV-MRXNPFEDSA-N 0 1 276.399 3.611 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(c2ccccc2)C1 ZINC001140341361 1131703193 /nfs/dbraw/zinc/70/31/93/1131703193.db2.gz JXMIFMSOBHFTPD-UHFFFAOYSA-N 0 1 273.763 3.645 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000834876782 1131715983 /nfs/dbraw/zinc/71/59/83/1131715983.db2.gz OTPWQXBOEGBKEL-GWCFXTLKSA-N 0 1 285.815 3.636 20 10 CHCDMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cc(Cl)ccc1O ZINC000834892699 1131719351 /nfs/dbraw/zinc/71/93/51/1131719351.db2.gz CSHULWRKEPQQRS-OUJBWJOFSA-N 0 1 291.782 3.599 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1COCC1(C)C)c1cc(Cl)ccc1[O-] ZINC000834905783 1131727979 /nfs/dbraw/zinc/72/79/79/1131727979.db2.gz WLOLUZLVYDYMRJ-OCCSQVGLSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000834908926 1131730319 /nfs/dbraw/zinc/73/03/19/1131730319.db2.gz ISXCHWTYAFGMNG-NEPJUHHUSA-N 0 1 297.826 3.901 20 10 CHCDMN Cc1ccc2c(c1)CC[N@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140585330 1131811557 /nfs/dbraw/zinc/81/15/57/1131811557.db2.gz FSCVTUDZUNFLIA-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN COc1cc([O-])c(C[NH+]2CCCCCCCC2)c(OC)c1 ZINC001141030842 1131988674 /nfs/dbraw/zinc/98/86/74/1131988674.db2.gz NIKATHDWYFKJGI-UHFFFAOYSA-N 0 1 293.407 3.566 20 10 CHCDMN CO[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C12CCC2 ZINC000839180773 1132188839 /nfs/dbraw/zinc/18/88/39/1132188839.db2.gz WRGXFFLBOFCVAZ-DLBZAZTESA-N 0 1 297.398 3.593 20 10 CHCDMN CO[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C12CCC2 ZINC000839180774 1132188845 /nfs/dbraw/zinc/18/88/45/1132188845.db2.gz WRGXFFLBOFCVAZ-IAGOWNOFSA-N 0 1 297.398 3.593 20 10 CHCDMN CC[N@@H+](Cc1ccccc1O)Cc1ccnc2ccccc12 ZINC001204090757 1132273693 /nfs/dbraw/zinc/27/36/93/1132273693.db2.gz LZKXSGOKAPOWKP-UHFFFAOYSA-N 0 1 292.382 3.963 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000840820047 1132290792 /nfs/dbraw/zinc/29/07/92/1132290792.db2.gz IYBBVCMIGKUHBJ-GIFSMMMISA-N 0 1 265.784 3.885 20 10 CHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@@H](CO)C2)c1[O-] ZINC000840893385 1132305969 /nfs/dbraw/zinc/30/59/69/1132305969.db2.gz GNAIOVYMHIKOEV-SCRDCRAPSA-N 0 1 297.826 3.556 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000840908581 1132308106 /nfs/dbraw/zinc/30/81/06/1132308106.db2.gz FSXXGZHRMYSGGC-LBPRGKRZSA-N 0 1 295.810 3.545 20 10 CHCDMN COC1CCC(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840903787 1132308331 /nfs/dbraw/zinc/30/83/31/1132308331.db2.gz PVOSKGXKBLSWNO-UHFFFAOYSA-N 0 1 297.826 3.649 20 10 CHCDMN Cc1noc(C)c1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000840934652 1132310543 /nfs/dbraw/zinc/31/05/43/1132310543.db2.gz UNHJTCVCSVMOBH-LBPRGKRZSA-N 0 1 287.407 3.517 20 10 CHCDMN COCCC(C)(C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840939729 1132310795 /nfs/dbraw/zinc/31/07/95/1132310795.db2.gz PBQWSDPZEVWBJT-UHFFFAOYSA-N 0 1 285.815 3.506 20 10 CHCDMN CC(C)[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231559371 1132316208 /nfs/dbraw/zinc/31/62/08/1132316208.db2.gz BUWNKIHSZIRMNA-UHFFFAOYSA-N 0 1 299.370 3.501 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)C2CC(C)C2)cc1Cl ZINC001231866682 1132375127 /nfs/dbraw/zinc/37/51/27/1132375127.db2.gz BUMISTCQJVZLSX-UHFFFAOYSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)C2CC(C)C2)cc1Cl ZINC001231866682 1132375135 /nfs/dbraw/zinc/37/51/35/1132375135.db2.gz BUMISTCQJVZLSX-UHFFFAOYSA-N 0 1 253.773 3.584 20 10 CHCDMN COc1ccc2c(c1)C[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231846954 1132380080 /nfs/dbraw/zinc/38/00/80/1132380080.db2.gz TXFMAAKEBYVQES-UHFFFAOYSA-N 0 1 283.371 3.533 20 10 CHCDMN COc1ccc2c(c1)CN(Cc1c(C)cc(C)cc1O)C2 ZINC001231846954 1132380088 /nfs/dbraw/zinc/38/00/88/1132380088.db2.gz TXFMAAKEBYVQES-UHFFFAOYSA-N 0 1 283.371 3.533 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)C2CCCC2)cc1Cl ZINC001231871166 1132384202 /nfs/dbraw/zinc/38/42/02/1132384202.db2.gz ZZOZNHSSQUBJLI-UHFFFAOYSA-N 0 1 253.773 3.728 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)C2CCCC2)cc1Cl ZINC001231871166 1132384211 /nfs/dbraw/zinc/38/42/11/1132384211.db2.gz ZZOZNHSSQUBJLI-UHFFFAOYSA-N 0 1 253.773 3.728 20 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1 282.796 3.661 20 10 CHCDMN [O-]c1c(C[NH+]2C[C@H]3CCC[C@@H]3C2)ccc2ccccc21 ZINC001231877991 1132391980 /nfs/dbraw/zinc/39/19/80/1132391980.db2.gz CMYLTBQBYVAFLN-HUUCEWRRSA-N 0 1 267.372 3.777 20 10 CHCDMN CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756753 1132393826 /nfs/dbraw/zinc/39/38/26/1132393826.db2.gz JXWMBCWPLPBNOC-QWRGUYRKSA-N 0 1 293.798 3.674 20 10 CHCDMN CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])OC ZINC000841759012 1132393968 /nfs/dbraw/zinc/39/39/68/1132393968.db2.gz WXEKQMWKJXHUQM-HZMBPMFUSA-N 0 1 271.788 3.511 20 10 CHCDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001231914847 1132398644 /nfs/dbraw/zinc/39/86/44/1132398644.db2.gz RYSKAOFOBVIHPD-GFCCVEGCSA-N 0 1 287.790 3.992 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC001231911047 1132399366 /nfs/dbraw/zinc/39/93/66/1132399366.db2.gz ZQMPTCGRBROQCL-NWDGAFQWSA-N 0 1 267.800 3.914 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C[C@H]2C)cc1Cl ZINC001232270214 1132446251 /nfs/dbraw/zinc/44/62/51/1132446251.db2.gz YQXHUUKFGMTATI-GHMZBOCLSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc1Cl ZINC001232270214 1132446254 /nfs/dbraw/zinc/44/62/54/1132446254.db2.gz YQXHUUKFGMTATI-GHMZBOCLSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC23CCCCC3)cc1Cl ZINC001232267144 1132446589 /nfs/dbraw/zinc/44/65/89/1132446589.db2.gz XTJITYZWWDAJDG-UHFFFAOYSA-N 0 1 295.810 3.963 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC23CCCCC3)cc1Cl ZINC001232267144 1132446593 /nfs/dbraw/zinc/44/65/93/1132446593.db2.gz XTJITYZWWDAJDG-UHFFFAOYSA-N 0 1 295.810 3.963 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000842927346 1132476719 /nfs/dbraw/zinc/47/67/19/1132476719.db2.gz CHVPWNPJFPNAIE-TVYUQYBPSA-N 0 1 285.840 3.980 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000842927887 1132477667 /nfs/dbraw/zinc/47/76/67/1132477667.db2.gz GOAOHEAGTICRAJ-AUTRQRHGSA-N 0 1 271.813 3.590 20 10 CHCDMN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000131540792 1132568520 /nfs/dbraw/zinc/56/85/20/1132568520.db2.gz XXYNHXLOSRYUOJ-NSHDSACASA-N 0 1 253.773 3.810 20 10 CHCDMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000131540792 1132568526 /nfs/dbraw/zinc/56/85/26/1132568526.db2.gz XXYNHXLOSRYUOJ-NSHDSACASA-N 0 1 253.773 3.810 20 10 CHCDMN CCC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H](C)CC ZINC001233073842 1132570645 /nfs/dbraw/zinc/57/06/45/1132570645.db2.gz FFFJNLDBCNVLEH-SNVBAGLBSA-N 0 1 257.324 3.681 20 10 CHCDMN CCN(Cc1sncc1C)Cc1ccc(N(C)C)cc1 ZINC001233322736 1132600923 /nfs/dbraw/zinc/60/09/23/1132600923.db2.gz RBXFXEHLHNZCCK-UHFFFAOYSA-N 0 1 289.448 3.540 20 10 CHCDMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233331940 1132605042 /nfs/dbraw/zinc/60/50/42/1132605042.db2.gz RCYNAJATXJXGHK-UHFFFAOYSA-N 0 1 277.314 3.693 20 10 CHCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001233332250 1132605212 /nfs/dbraw/zinc/60/52/12/1132605212.db2.gz FCHKYGZZVGWHNM-ZDUSSCGKSA-N 0 1 289.325 3.660 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233761367 1132675695 /nfs/dbraw/zinc/67/56/95/1132675695.db2.gz TUOBAKNMANUMMU-LLVKDONJSA-N 0 1 289.297 3.665 20 10 CHCDMN CC[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233761367 1132675698 /nfs/dbraw/zinc/67/56/98/1132675698.db2.gz TUOBAKNMANUMMU-LLVKDONJSA-N 0 1 289.297 3.665 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233761367 1132675701 /nfs/dbraw/zinc/67/57/01/1132675701.db2.gz TUOBAKNMANUMMU-LLVKDONJSA-N 0 1 289.297 3.665 20 10 CHCDMN C[C@@]1(CF)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203574213 1133341526 /nfs/dbraw/zinc/34/15/26/1133341526.db2.gz PWSGKBINWBOXJX-ZDUSSCGKSA-N 0 1 292.181 3.881 20 10 CHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CCC1 ZINC001203580506 1133342110 /nfs/dbraw/zinc/34/21/10/1133342110.db2.gz PNLFTTKRCVRHMV-UHFFFAOYSA-N 0 1 274.191 3.931 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001203586188 1133342650 /nfs/dbraw/zinc/34/26/50/1133342650.db2.gz NFPBHGATLHVRSA-PELKAZGASA-N 0 1 272.175 3.683 20 10 CHCDMN CCN(CC)c1ccc(CN2CCn3cccc3[C@@H]2C)cc1 ZINC001203942459 1133387943 /nfs/dbraw/zinc/38/79/43/1133387943.db2.gz RFKUMPNIGOWQMR-INIZCTEOSA-N 0 1 297.446 3.911 20 10 CHCDMN CC(C)(C)OC1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001204516378 1133456436 /nfs/dbraw/zinc/45/64/36/1133456436.db2.gz TZMVABQFVDDGLF-UHFFFAOYSA-N 0 1 297.826 3.825 20 10 CHCDMN Cc1ccnc(CN(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001206854577 1133757368 /nfs/dbraw/zinc/75/73/68/1133757368.db2.gz JFLURKZDQNKYLJ-UHFFFAOYSA-N 0 1 295.430 3.622 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+]Cc1cccc(F)c1F ZINC001207008146 1133760477 /nfs/dbraw/zinc/76/04/77/1133760477.db2.gz LGTWWBPBJDLDQO-UHFFFAOYSA-N 0 1 283.705 3.614 20 10 CHCDMN C[C@@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C(C)(C)C ZINC001207568699 1133820728 /nfs/dbraw/zinc/82/07/28/1133820728.db2.gz CJALWWQSNPZQDZ-JTQLQIEISA-N 0 1 255.789 3.817 20 10 CHCDMN Cc1ccc(C)n1-c1ccc(CN2CCCC(=O)CC2)cc1 ZINC001209516766 1134031529 /nfs/dbraw/zinc/03/15/29/1134031529.db2.gz NVKZQQAMLBVQTE-UHFFFAOYSA-N 0 1 296.414 3.649 20 10 CHCDMN C[C@@H]([NH2+]CCc1ccncc1)c1ccc2ccccc2c1[O-] ZINC000315211067 1135151607 /nfs/dbraw/zinc/15/16/07/1135151607.db2.gz SFEPKCALTJZPLE-CQSZACIVSA-N 0 1 292.382 3.834 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc2ccccc2c1[O-] ZINC000038044031 174051620 /nfs/dbraw/zinc/05/16/20/174051620.db2.gz DCWDXJCFMJODSX-KGLIPLIRSA-N 0 1 285.387 3.623 20 10 CHCDMN Clc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000037362521 260094939 /nfs/dbraw/zinc/09/49/39/260094939.db2.gz ZZYFGINGDBDBHR-UHFFFAOYSA-N 0 1 273.763 3.565 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2c(C)noc2C)cc1 ZINC000153921085 261085026 /nfs/dbraw/zinc/08/50/26/261085026.db2.gz MNVODEWDNMYXQZ-GFCCVEGCSA-N 0 1 287.407 3.598 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000184845566 262030838 /nfs/dbraw/zinc/03/08/38/262030838.db2.gz JSOIYQYCKJDTOH-GHMZBOCLSA-N 0 1 276.767 3.852 20 10 CHCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1nccs1 ZINC000186727277 262107047 /nfs/dbraw/zinc/10/70/47/262107047.db2.gz JJRMKFHIZBPUCG-ZJUUUORDSA-N 0 1 296.823 3.956 20 10 CHCDMN C[C@H]([NH2+]CC(C)(C)CCO)c1ccc2ccccc2c1[O-] ZINC000185609033 262306595 /nfs/dbraw/zinc/30/65/95/262306595.db2.gz GCPGBXWYXIRDIB-ZDUSSCGKSA-N 0 1 287.403 3.605 20 10 CHCDMN COC[C@H](N[C@H](C)c1ccc(C)cc1O)c1ccc(C)o1 ZINC000185630799 327841586 /nfs/dbraw/zinc/84/15/86/327841586.db2.gz SLOMKYBQJJBJIL-HIFRSBDPSA-N 0 1 289.375 3.640 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(F)ccc1[O-] ZINC000403360350 327156897 /nfs/dbraw/zinc/15/68/97/327156897.db2.gz MRCWYGATYOHJCW-QNWHQSFQSA-N 0 1 263.356 3.618 20 10 CHCDMN COCCC1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000529637286 333502351 /nfs/dbraw/zinc/50/23/51/333502351.db2.gz BFELZHDYYHNHDO-UHFFFAOYSA-N 0 1 297.826 3.603 20 10 CHCDMN CCC([NH2+]Cc1cc(F)ccc1[O-])(C1CC1)C1CC1 ZINC000529644055 333503253 /nfs/dbraw/zinc/50/32/53/333503253.db2.gz MJMFILOHOPYMDB-UHFFFAOYSA-N 0 1 263.356 3.590 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000252814063 334394542 /nfs/dbraw/zinc/39/45/42/334394542.db2.gz SJFWPODATBDRFA-YDHLFZDLSA-N 0 1 285.387 3.621 20 10 CHCDMN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000270665618 518950099 /nfs/dbraw/zinc/95/00/99/518950099.db2.gz PHFCZVMSNGVLAD-ABAIWWIYSA-N 0 1 297.826 3.729 20 10 CHCDMN CCN(C)c1ccc([C@H](C)NCc2nc(C)cs2)cc1 ZINC000126210350 520287539 /nfs/dbraw/zinc/28/75/39/520287539.db2.gz ARRAAYYWVCCRQR-ZDUSSCGKSA-N 0 1 289.448 3.758 20 10 CHCDMN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000290234600 523431305 /nfs/dbraw/zinc/43/13/05/523431305.db2.gz RZZCKOGAOBSDNJ-AGIUHOORSA-N 0 1 273.376 3.619 20 10 CHCDMN Cc1cc(O)c(CN[C@@H](C)c2c(F)cncc2F)cc1C ZINC000285416392 525323040 /nfs/dbraw/zinc/32/30/40/525323040.db2.gz GETVSPWHZKDUHB-NSHDSACASA-N 0 1 292.329 3.533 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc2ccccc2c1[O-] ZINC000042812042 525500879 /nfs/dbraw/zinc/50/08/79/525500879.db2.gz 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/nfs/dbraw/zinc/07/41/06/1118074106.db2.gz DIVBQGAHOYJBMM-MNOVXSKESA-N 0 1 253.773 3.666 20 10 CHCDMN CN(C)c1ccc(CN[C@H]2CCCc3occc32)cc1F ZINC000113320816 1125494266 /nfs/dbraw/zinc/49/42/66/1125494266.db2.gz YNTDYNUPTWYSOF-HNNXBMFYSA-N 0 1 288.366 3.652 20 10 CHCDMN CC[C@@H](NCc1cscn1)c1cc(Cl)ccc1O ZINC000775500086 1122627485 /nfs/dbraw/zinc/62/74/85/1122627485.db2.gz NVWRGGJMMJIFKR-GFCCVEGCSA-N 0 1 282.796 3.743 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000850483241 1123274033 /nfs/dbraw/zinc/27/40/33/1123274033.db2.gz VLCKEIUTWODJKD-WCQYABFASA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC001140056395 1131659487 /nfs/dbraw/zinc/65/94/87/1131659487.db2.gz VCNQFWWOCRLICN-YEORSEQZSA-N 0 1 251.345 3.542 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC12CCCC2 ZINC000845998257 1131676982 /nfs/dbraw/zinc/67/69/82/1131676982.db2.gz ASIGFHUGHTVZBS-UHFFFAOYSA-N 0 1 251.757 3.564 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)ccc1[O-] ZINC000715222391 1131981403 /nfs/dbraw/zinc/98/14/03/1131981403.db2.gz IZYBXJQYLPJJEH-WCQYABFASA-N 0 1 296.208 3.748 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001231867756 1132383455 /nfs/dbraw/zinc/38/34/55/1132383455.db2.gz NVEWQFIJRXTFTA-TXEJJXNPSA-N 0 1 265.784 3.586 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001231867756 1132383462 /nfs/dbraw/zinc/38/34/62/1132383462.db2.gz NVEWQFIJRXTFTA-TXEJJXNPSA-N 0 1 265.784 3.586 20 10 CHCDMN CCc1cnc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841755678 1132392356 /nfs/dbraw/zinc/39/23/56/1132392356.db2.gz QSFDKHQWOXXWPB-VIFPVBQESA-N 0 1 296.823 3.915 20 10 CHCDMN Oc1cccc2c1CN(Cc1cc(Cl)cs1)CC2 ZINC001232280047 1132448630 /nfs/dbraw/zinc/44/86/30/1132448630.db2.gz KVFVAQBDHLACEP-UHFFFAOYSA-N 0 1 279.792 3.665 20 10 CHCDMN C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000251983469 1125530960 /nfs/dbraw/zinc/53/09/60/1125530960.db2.gz YVTIHNGCIJUMQJ-GYSYKLTISA-N 0 1 267.800 3.960 20 10 CHCDMN CC(C)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000135648265 1125594003 /nfs/dbraw/zinc/59/40/03/1125594003.db2.gz RRACALCNZXVZEO-NSHDSACASA-N 0 1 298.224 3.633 20 10 CHCDMN CC(C)[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000135648265 1125594006 /nfs/dbraw/zinc/59/40/06/1125594006.db2.gz RRACALCNZXVZEO-NSHDSACASA-N 0 1 298.224 3.633 20 10 CHCDMN CC(C)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000135648265 1125594010 /nfs/dbraw/zinc/59/40/10/1125594010.db2.gz RRACALCNZXVZEO-NSHDSACASA-N 0 1 298.224 3.633 20 10 CHCDMN CCC[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])OC ZINC000841758083 1125598068 /nfs/dbraw/zinc/59/80/68/1125598068.db2.gz RZMFTUYVUZGEIY-CMPLNLGQSA-N 0 1 271.788 3.511 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000054495165 1125600924 /nfs/dbraw/zinc/60/09/24/1125600924.db2.gz LNGMLOMANYTXHO-CQSZACIVSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000054495165 1125600927 /nfs/dbraw/zinc/60/09/27/1125600927.db2.gz 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C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121280 1131053976 /nfs/dbraw/zinc/05/39/76/1131053976.db2.gz AQKUMRFWRAEFFV-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121280 1131053980 /nfs/dbraw/zinc/05/39/80/1131053980.db2.gz AQKUMRFWRAEFFV-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC2(CC2)CC1 ZINC001237123074 1131055996 /nfs/dbraw/zinc/05/59/96/1131055996.db2.gz GVMLFZNBVZBSPO-UHFFFAOYSA-N 0 1 269.747 3.561 20 10 CHCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CC(F)(F)C1 ZINC001237621514 1131118593 /nfs/dbraw/zinc/11/85/93/1131118593.db2.gz BKXOQMXNRMKXDM-UHFFFAOYSA-N 0 1 293.716 3.662 20 10 CHCDMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237940451 1131153341 /nfs/dbraw/zinc/15/33/41/1131153341.db2.gz LDUYEIIIHQTVEU-CYBMUJFWSA-N 0 1 271.763 3.805 20 10 CHCDMN Cc1noc(C)c1C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000046478229 1127408288 /nfs/dbraw/zinc/40/82/88/1127408288.db2.gz KBAXFIQIKLHWQD-UHFFFAOYSA-N 0 1 296.370 3.782 20 10 CHCDMN CCc1nocc1C[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000293625964 1127509487 /nfs/dbraw/zinc/50/94/87/1127509487.db2.gz LAUFXWKBDPTIRP-UHFFFAOYSA-N 0 1 294.782 3.536 20 10 CHCDMN CCc1nocc1CN(C)Cc1cc(Cl)cc(C)c1O ZINC000293625964 1127509489 /nfs/dbraw/zinc/50/94/89/1127509489.db2.gz LAUFXWKBDPTIRP-UHFFFAOYSA-N 0 1 294.782 3.536 20 10 CHCDMN COc1cc(Cl)cc(C[NH+](CC2CC2)CC2CC2)c1[O-] ZINC000761203408 1127520045 /nfs/dbraw/zinc/52/00/45/1127520045.db2.gz REHGPFPKTGFQBI-UHFFFAOYSA-N 0 1 295.810 3.676 20 10 CHCDMN CC[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228629760 1127576587 /nfs/dbraw/zinc/57/65/87/1127576587.db2.gz PLRNPRFMKKGAEL-JTQLQIEISA-N 0 1 271.788 3.532 20 10 CHCDMN CC[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228629760 1127576589 /nfs/dbraw/zinc/57/65/89/1127576589.db2.gz PLRNPRFMKKGAEL-JTQLQIEISA-N 0 1 271.788 3.532 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000230413077 1127752118 /nfs/dbraw/zinc/75/21/18/1127752118.db2.gz 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ZINC000092326526 1120356931 /nfs/dbraw/zinc/35/69/31/1120356931.db2.gz BSWCWBDLNCUZCB-VXGBXAGGSA-N 0 1 287.407 3.769 20 10 CHCDMN CC1(C)CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000162717672 1120589901 /nfs/dbraw/zinc/58/99/01/1120589901.db2.gz AJCUBKBHDQZRTJ-LBPRGKRZSA-N 0 1 253.773 3.714 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136691536 1120844296 /nfs/dbraw/zinc/84/42/96/1120844296.db2.gz HGUHJLQIWWHUOW-GFCCVEGCSA-N 0 1 295.810 3.627 20 10 CHCDMN CCN(Cc1cnc(C)s1)Cc1ccc(N(C)C)cc1 ZINC000125697343 1120890379 /nfs/dbraw/zinc/89/03/79/1120890379.db2.gz FIJWLNNAPBBQTB-UHFFFAOYSA-N 0 1 289.448 3.540 20 10 CHCDMN C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N(C)C1CC1 ZINC000185368872 1120910489 /nfs/dbraw/zinc/91/04/89/1120910489.db2.gz BVLZCAOZTDLOGE-KGLIPLIRSA-N 0 1 298.430 3.679 20 10 CHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000070305460 1128966064 /nfs/dbraw/zinc/96/60/64/1128966064.db2.gz COCNXIAQVLOQLF-SNVBAGLBSA-N 0 1 253.773 3.714 20 10 CHCDMN 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ROLCJLPQYKCGNB-UHFFFAOYSA-N 0 1 281.783 3.623 20 10 CHCDMN C[C@@H](CC1CCC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000710188616 1121474686 /nfs/dbraw/zinc/47/46/86/1121474686.db2.gz FZOCPHSDEJVEAY-JTQLQIEISA-N 0 1 298.224 3.823 20 10 CHCDMN Cc1ccc([C@H](C)N[C@H](C)c2c(F)cncc2F)c(O)c1 ZINC000797128378 1121842564 /nfs/dbraw/zinc/84/25/64/1121842564.db2.gz RGBCGKXAMSIIKW-WDEREUQCSA-N 0 1 292.329 3.786 20 10 CHCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2c(F)cncc2F)c(O)c1 ZINC000797128375 1121843885 /nfs/dbraw/zinc/84/38/85/1121843885.db2.gz RGBCGKXAMSIIKW-MNOVXSKESA-N 0 1 292.329 3.786 20 10 CHCDMN CCN(C)c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000773790135 1121845116 /nfs/dbraw/zinc/84/51/16/1121845116.db2.gz IIHOPYQDNOQDOH-UHFFFAOYSA-N 0 1 298.352 3.837 20 10 CHCDMN CCN(C)c1ccc(CN2CC=C(C(F)(F)F)CC2)cc1 ZINC000773790135 1121845130 /nfs/dbraw/zinc/84/51/30/1121845130.db2.gz IIHOPYQDNOQDOH-UHFFFAOYSA-N 0 1 298.352 3.837 20 10 CHCDMN CCN(C)c1ccc(CN(Cc2ccccn2)C2CC2)cc1 ZINC000773824416 1121902892 /nfs/dbraw/zinc/90/28/92/1121902892.db2.gz VESDVWNVFUZOEO-UHFFFAOYSA-N 0 1 295.430 3.702 20 10 CHCDMN CSC[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC001179854989 1121916658 /nfs/dbraw/zinc/91/66/58/1121916658.db2.gz LXIJXIZAKLBOJG-NSHDSACASA-N 0 1 285.840 3.681 20 10 CHCDMN CSC[C@@H]1CCC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC001179854989 1121916676 /nfs/dbraw/zinc/91/66/76/1121916676.db2.gz LXIJXIZAKLBOJG-NSHDSACASA-N 0 1 285.840 3.681 20 10 CHCDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H](C)C(C)C ZINC001180043673 1121942229 /nfs/dbraw/zinc/94/22/29/1121942229.db2.gz WODWLKMJSVUZQZ-NSHDSACASA-N 0 1 255.789 3.912 20 10 CHCDMN Cc1ccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c(O)c1 ZINC001180326089 1121980037 /nfs/dbraw/zinc/98/00/37/1121980037.db2.gz GTYVYGWEGKHPFB-UHFFFAOYSA-N 0 1 295.304 3.750 20 10 CHCDMN Cc1ccc(CN(C)Cc2cc(F)c(F)c(F)c2)c(O)c1 ZINC001180326089 1121980041 /nfs/dbraw/zinc/98/00/41/1121980041.db2.gz GTYVYGWEGKHPFB-UHFFFAOYSA-N 0 1 295.304 3.750 20 10 CHCDMN Cc1ncoc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000894250623 1122012703 /nfs/dbraw/zinc/01/27/03/1122012703.db2.gz LYWUCNIAVRANRY-UHFFFAOYSA-N 0 1 299.418 3.509 20 10 CHCDMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001181205109 1122042489 /nfs/dbraw/zinc/04/24/89/1122042489.db2.gz IXEBGIAHOUTKQM-LBPRGKRZSA-N 0 1 283.362 3.929 20 10 CHCDMN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181543949 1122061670 /nfs/dbraw/zinc/06/16/70/1122061670.db2.gz IYRNOBWGQURMGT-GWCFXTLKSA-N 0 1 253.773 3.809 20 10 CHCDMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181543949 1122061675 /nfs/dbraw/zinc/06/16/75/1122061675.db2.gz IYRNOBWGQURMGT-GWCFXTLKSA-N 0 1 253.773 3.809 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1Cl ZINC001182509464 1122172528 /nfs/dbraw/zinc/17/25/28/1122172528.db2.gz UFQVSXKRRKJGJI-JSGCOSHPSA-N 0 1 279.811 3.880 20 10 CHCDMN CC1(C)CO[C@@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC001183789224 1122238717 /nfs/dbraw/zinc/23/87/17/1122238717.db2.gz SVCKTAZVLZRYPM-INIZCTEOSA-N 0 1 299.414 3.840 20 10 CHCDMN CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000775373660 1122532323 /nfs/dbraw/zinc/53/23/23/1122532323.db2.gz ZLGATGURBMWEGK-GDBMZVCRSA-N 0 1 297.826 3.729 20 10 CHCDMN CC[C@@H]([NH2+]CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000775491170 1122619651 /nfs/dbraw/zinc/61/96/51/1122619651.db2.gz ZCLBQUKRGZXUSL-CYBMUJFWSA-N 0 1 253.773 3.886 20 10 CHCDMN CC[C@H]([NH2+]Cc1cccc(C)n1)c1cc(Cl)ccc1[O-] ZINC000775490313 1122620611 /nfs/dbraw/zinc/62/06/11/1122620611.db2.gz BQPGRCFHBPCTMK-HNNXBMFYSA-N 0 1 290.794 3.990 20 10 CHCDMN CCC[C@](C)(O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503246 1122628667 /nfs/dbraw/zinc/62/86/67/1122628667.db2.gz DVLSFPRBHVSDPN-ZFWWWQNUSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@@H]([NH2+]CCN(C)[C@@H](C)CC)c1cc(Cl)ccc1[O-] ZINC000775501935 1122628671 /nfs/dbraw/zinc/62/86/71/1122628671.db2.gz URDPIWVHSUYVPP-SWLSCSKDSA-N 0 1 298.858 3.817 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000775508376 1122631260 /nfs/dbraw/zinc/63/12/60/1122631260.db2.gz BOTLXBFAWXZTFF-WHOFXGATSA-N 0 1 297.826 3.637 20 10 CHCDMN CC[C@@H]([NH2+]CCN(CC)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775502827 1122631341 /nfs/dbraw/zinc/63/13/41/1122631341.db2.gz ZQKAURXMLOZXJG-OAHLLOKOSA-N 0 1 298.858 3.817 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1cc(Cl)ccc1[O-] ZINC000775522932 1122639567 /nfs/dbraw/zinc/63/95/67/1122639567.db2.gz BYHGELQOQKIYFD-RNCFNFMXSA-N 0 1 279.771 3.571 20 10 CHCDMN CC[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775522608 1122639948 /nfs/dbraw/zinc/63/99/48/1122639948.db2.gz VPWFPNUDJNTOBV-GXTWGEPZSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@@H](O)CCC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775524935 1122641985 /nfs/dbraw/zinc/64/19/85/1122641985.db2.gz CTXHIXYCCDHGLL-TZMCWYRMSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@H]([NH2+]CC1(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775524481 1122642663 /nfs/dbraw/zinc/64/26/63/1122642663.db2.gz ADWQQADKAZWSPO-LBPRGKRZSA-N 0 1 253.773 3.886 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1CCCOCC1)c1cc(Cl)ccc1[O-] ZINC000775532254 1122649009 /nfs/dbraw/zinc/64/90/09/1122649009.db2.gz UINPTUBHUZJOMI-GXTWGEPZSA-N 0 1 283.799 3.655 20 10 CHCDMN CC[C@H]([NH2+]CCOC1CCC1)c1cc(Cl)ccc1[O-] ZINC000775534405 1122650548 /nfs/dbraw/zinc/65/05/48/1122650548.db2.gz DWRYXEQPMOYXBO-AWEZNQCLSA-N 0 1 283.799 3.655 20 10 CHCDMN CC[C@H](Nc1cnn(-c2ccncc2)c1)c1ccccc1O ZINC000775542511 1122655562 /nfs/dbraw/zinc/65/55/62/1122655562.db2.gz PWBDELBSTLHKPO-INIZCTEOSA-N 0 1 294.358 3.536 20 10 CHCDMN CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775552477 1122661832 /nfs/dbraw/zinc/66/18/32/1122661832.db2.gz VQSLIALKKNTYBG-RISCZKNCSA-N 0 1 283.799 3.513 20 10 CHCDMN Cc1csc([C@H](C)N[C@H](C)c2cc(C)ccc2O)n1 ZINC000080270199 1129079907 /nfs/dbraw/zinc/07/99/07/1129079907.db2.gz DUMGTTJHONUXDT-NEPJUHHUSA-N 0 1 276.405 3.877 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCc2ccccc2C1 ZINC000775632861 1122837580 /nfs/dbraw/zinc/83/75/80/1122837580.db2.gz BTSSWVVKLGINGE-UHFFFAOYSA-N 0 1 291.753 3.743 20 10 CHCDMN COc1cccc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])c1 ZINC000775642487 1122852209 /nfs/dbraw/zinc/85/22/09/1122852209.db2.gz LEHZOAZVXQSXDY-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN CC[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775654966 1122866887 /nfs/dbraw/zinc/86/68/87/1122866887.db2.gz SFMDOKTWFIZWHM-SECBINFHSA-N 0 1 259.752 3.663 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000775677156 1122901239 /nfs/dbraw/zinc/90/12/39/1122901239.db2.gz ICYWFLCSFIDTGK-CYBMUJFWSA-N 0 1 269.747 3.559 20 10 CHCDMN COc1ccc(N(Cc2cnc[nH]2)Cc2ccccc2)cc1 ZINC000776101104 1123056530 /nfs/dbraw/zinc/05/65/30/1123056530.db2.gz DPDYSYIZXFUZFL-UHFFFAOYSA-N 0 1 293.370 3.625 20 10 CHCDMN Clc1cscc1CNCc1ccc2c(c1)CCO2 ZINC000776154303 1123086435 /nfs/dbraw/zinc/08/64/35/1123086435.db2.gz TZIGUIZLWHLWIB-UHFFFAOYSA-N 0 1 279.792 3.626 20 10 CHCDMN C[C@@H]([NH2+]CCN1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000193684335 1129104694 /nfs/dbraw/zinc/10/46/94/1129104694.db2.gz WMTOJLIAQLDWIW-OAHLLOKOSA-N 0 1 298.430 3.682 20 10 CHCDMN C[C@@]1(CC[NH2+]Cc2c([O-])cccc2Cl)CC1(F)F ZINC000850380120 1123260627 /nfs/dbraw/zinc/26/06/27/1123260627.db2.gz BWTDZSFDSVPNIQ-GFCCVEGCSA-N 0 1 275.726 3.571 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC[C@@]2(C)CC2(F)F)c(Cl)c1 ZINC000850380983 1123261351 /nfs/dbraw/zinc/26/13/51/1123261351.db2.gz SGLNFCURTOJNLF-ZDUSSCGKSA-N 0 1 289.753 3.879 20 10 CHCDMN CCSC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000850394422 1123261649 /nfs/dbraw/zinc/26/16/49/1123261649.db2.gz QOKVXBNEKWLBCR-UHFFFAOYSA-N 0 1 285.840 3.729 20 10 CHCDMN C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(Cl)ccc1[O-] ZINC000850482343 1123273101 /nfs/dbraw/zinc/27/31/01/1123273101.db2.gz OSTMTGOYHZUXGY-NWDGAFQWSA-N 0 1 290.794 3.895 20 10 CHCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000850482346 1123273288 /nfs/dbraw/zinc/27/32/88/1123273288.db2.gz OSTMTGOYHZUXGY-RYUDHWBXSA-N 0 1 290.794 3.895 20 10 CHCDMN C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc2ccccc2c1[O-] ZINC000850525081 1123280842 /nfs/dbraw/zinc/28/08/42/1123280842.db2.gz KYGCOUWPAYIGCM-UKRRQHHQSA-N 0 1 297.398 3.908 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(Cl)ccc1[O-] ZINC000850535310 1123286797 /nfs/dbraw/zinc/28/67/97/1123286797.db2.gz UWDPDLVNEVRBLC-MDZLAQPJSA-N 0 1 283.799 3.654 20 10 CHCDMN CCSC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000850553542 1123289922 /nfs/dbraw/zinc/28/99/22/1123289922.db2.gz YMDPEBBZEMMICY-SNVBAGLBSA-N 0 1 285.840 3.982 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000850570195 1123294009 /nfs/dbraw/zinc/29/40/09/1123294009.db2.gz FPUZJCDLCCNTBQ-WDEREUQCSA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000850572010 1123295002 /nfs/dbraw/zinc/29/50/02/1123295002.db2.gz XWFBOJUCPNBLEP-RISCZKNCSA-N 0 1 297.826 3.901 20 10 CHCDMN CCn1nccc1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000853241456 1123429211 /nfs/dbraw/zinc/42/92/11/1123429211.db2.gz VKSISULCOOIVLX-CYBMUJFWSA-N 0 1 295.386 3.613 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cccc(N)c1)c1cc(Cl)ccc1[O-] ZINC000854217358 1123477780 /nfs/dbraw/zinc/47/77/80/1123477780.db2.gz LAYYXLMUNYDKDW-OAHLLOKOSA-N 0 1 290.794 3.869 20 10 CHCDMN Cc1cc(CNCc2ocnc2C)c(C)n1-c1ccccc1 ZINC000895404303 1123477880 /nfs/dbraw/zinc/47/78/80/1123477880.db2.gz DEFVQKSXYNWOQG-UHFFFAOYSA-N 0 1 295.386 3.680 20 10 CHCDMN CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000776951620 1123612635 /nfs/dbraw/zinc/61/26/35/1123612635.db2.gz XRQKULFJMKHMPA-CABCVRRESA-N 0 1 297.826 3.729 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1cc(Cl)ccc1[O-] ZINC000858592597 1123666026 /nfs/dbraw/zinc/66/60/26/1123666026.db2.gz GUADRYDTXROLDW-SCDSUCTJSA-N 0 1 283.799 3.511 20 10 CHCDMN C[N@@H+](Cc1cc(F)cc(Cl)c1)Cc1ccccc1O ZINC000777222313 1123786194 /nfs/dbraw/zinc/78/61/94/1123786194.db2.gz QLYOEHDPTQNQAQ-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN COC1CCC([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000840793403 1123810980 /nfs/dbraw/zinc/81/09/80/1123810980.db2.gz ZOOQBBCIBGBOCJ-NPZBDFSRSA-N 0 1 293.382 3.627 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473421 1123813174 /nfs/dbraw/zinc/81/31/74/1123813174.db2.gz PWKZRFMLBUEZBP-OLZOCXBDSA-N 0 1 283.824 3.516 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473421 1123813183 /nfs/dbraw/zinc/81/31/83/1123813183.db2.gz PWKZRFMLBUEZBP-OLZOCXBDSA-N 0 1 283.824 3.516 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000862466073 1123813392 /nfs/dbraw/zinc/81/33/92/1123813392.db2.gz DIEOGGPYVKUXTA-UHFFFAOYSA-N 0 1 293.716 3.806 20 10 CHCDMN COc1cc(C)c(C)cc1NCc1ccc(F)c(F)c1O ZINC000864041307 1123912695 /nfs/dbraw/zinc/91/26/95/1123912695.db2.gz NFDXBTCNDJQXCQ-UHFFFAOYSA-N 0 1 293.313 3.908 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+](CC1CC1)CC1CCC1 ZINC000794711121 1123942117 /nfs/dbraw/zinc/94/21/17/1123942117.db2.gz PMKJTRBAUHWFEY-UHFFFAOYSA-N 0 1 296.414 3.953 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+](CC1CC1)CC1CCC1 ZINC000794711121 1123942119 /nfs/dbraw/zinc/94/21/19/1123942119.db2.gz PMKJTRBAUHWFEY-UHFFFAOYSA-N 0 1 296.414 3.953 20 10 CHCDMN CC[C@@H](NCc1ccn(C(C)C)n1)c1ccc(C)cc1O ZINC000794801597 1123951075 /nfs/dbraw/zinc/95/10/75/1123951075.db2.gz JTCRFQXLJCCHJL-MRXNPFEDSA-N 0 1 287.407 3.719 20 10 CHCDMN C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc2ccccc2c1[O-] ZINC000794833793 1123965992 /nfs/dbraw/zinc/96/59/92/1123965992.db2.gz LBQGRSDIJMYNJC-CZUORRHYSA-N 0 1 299.414 3.747 20 10 CHCDMN Cc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000314717417 1123993602 /nfs/dbraw/zinc/99/36/02/1123993602.db2.gz DUFKKWATRJOUHL-OAHLLOKOSA-N 0 1 283.419 3.615 20 10 CHCDMN Oc1cccc2c1[C@H](N[C@H](CF)c1ccc(F)cc1)CC2 ZINC000866597085 1124085810 /nfs/dbraw/zinc/08/58/10/1124085810.db2.gz MRNZWNMWJSSEBG-HUUCEWRRSA-N 0 1 289.325 3.819 20 10 CHCDMN Cc1ccc([C@H](C)NCc2ncc(Cl)s2)c(O)c1C ZINC000872116115 1124687213 /nfs/dbraw/zinc/68/72/13/1124687213.db2.gz OJHMFRAWLGLZPG-JTQLQIEISA-N 0 1 296.823 3.970 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC2(C(F)(F)F)CC2)cc1Cl ZINC000825893364 1124970410 /nfs/dbraw/zinc/97/04/10/1124970410.db2.gz XJZKTDQJFLQXLH-UHFFFAOYSA-N 0 1 293.716 3.786 20 10 CHCDMN COc1cccc(F)c1[C@@H](C)NCc1ccc(C)cc1O ZINC000877041324 1125001564 /nfs/dbraw/zinc/00/15/64/1125001564.db2.gz FJFCHNRDVORHAN-GFCCVEGCSA-N 0 1 289.350 3.699 20 10 CHCDMN Cc1cccc(O)c1CNCc1nc(C(C)C)cs1 ZINC000877108631 1125009669 /nfs/dbraw/zinc/00/96/69/1125009669.db2.gz UGEZENBQJQJJHY-UHFFFAOYSA-N 0 1 276.405 3.570 20 10 CHCDMN COc1cccc(C)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877613057 1125054703 /nfs/dbraw/zinc/05/47/03/1125054703.db2.gz VITXTEGVEMBXCM-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN CCCc1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC000879649301 1125222570 /nfs/dbraw/zinc/22/25/70/1125222570.db2.gz PZTXJJWWKBNOSX-LLVKDONJSA-N 0 1 276.405 3.652 20 10 CHCDMN CO[C@](C)([C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000826120893 1125225492 /nfs/dbraw/zinc/22/54/92/1125225492.db2.gz LAHXFNZIENBLQA-BDJLRTHQSA-N 0 1 297.826 3.647 20 10 CHCDMN Fc1ccccc1C1(NCc2ccc3c(c2)CCO3)CC1 ZINC000130522212 1125362793 /nfs/dbraw/zinc/36/27/93/1125362793.db2.gz PZDFWYNALZZWHT-UHFFFAOYSA-N 0 1 283.346 3.540 20 10 CHCDMN CSC[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000130931959 1125370548 /nfs/dbraw/zinc/37/05/48/1125370548.db2.gz JZPQYUXUILRUAC-AWEZNQCLSA-N 0 1 287.428 3.873 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)C(F)F)c1cccc(Cl)c1[O-] ZINC000883400128 1125408679 /nfs/dbraw/zinc/40/86/79/1125408679.db2.gz FHNFBLYEHJZYMD-OIBJUYFYSA-N 0 1 263.715 3.740 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000717174134 1125422149 /nfs/dbraw/zinc/42/21/49/1125422149.db2.gz QSWAFWMTBQUSBH-CQSZACIVSA-N 0 1 295.810 3.627 20 10 CHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001237934142 1129220685 /nfs/dbraw/zinc/22/06/85/1129220685.db2.gz HSRQAJZWSPUGHD-WDEREUQCSA-N 0 1 283.774 3.807 20 10 CHCDMN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CCC1 ZINC000738051597 1129389531 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1132003266 /nfs/dbraw/zinc/00/32/66/1132003266.db2.gz ARNUBKONXOFFRP-ZDUSSCGKSA-N 0 1 289.448 3.840 20 10 CHCDMN Oc1ccccc1C[N@@H+](Cc1cnccn1)C1CCCCC1 ZINC000838781285 1132145288 /nfs/dbraw/zinc/14/52/88/1132145288.db2.gz IBLURORBJZAHMY-UHFFFAOYSA-N 0 1 297.402 3.517 20 10 CHCDMN [O-]c1c(C[NH+]2CC(CC(F)(F)F)C2)ccc2ccccc21 ZINC000839137316 1132183131 /nfs/dbraw/zinc/18/31/31/1132183131.db2.gz DWRNCDVSPQOOJK-UHFFFAOYSA-N 0 1 295.304 3.930 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840939983 1132312024 /nfs/dbraw/zinc/31/20/24/1132312024.db2.gz STBZBFGGYBEARX-QWHCGFSZSA-N 0 1 297.826 3.649 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000840955345 1132313284 /nfs/dbraw/zinc/31/32/84/1132313284.db2.gz VLDLCJUIGICLHS-UHFFFAOYSA-N 0 1 297.851 3.907 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000840955345 1132313290 /nfs/dbraw/zinc/31/32/90/1132313290.db2.gz VLDLCJUIGICLHS-UHFFFAOYSA-N 0 1 297.851 3.907 20 10 CHCDMN CC[N@H+](Cc1ccc(Cl)c([O-])c1)Cc1ccccc1O ZINC001231737570 1132348949 /nfs/dbraw/zinc/34/89/49/1132348949.db2.gz UAAWUJWJRFPZIW-UHFFFAOYSA-N 0 1 291.778 3.773 20 10 CHCDMN CC[N@@H+](Cc1ccc(Cl)c([O-])c1)Cc1ccccc1O ZINC001231737570 1132348957 /nfs/dbraw/zinc/34/89/57/1132348957.db2.gz UAAWUJWJRFPZIW-UHFFFAOYSA-N 0 1 291.778 3.773 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC001231866387 1132381173 /nfs/dbraw/zinc/38/11/73/1132381173.db2.gz GDYGHQJZCYHEMQ-SNVBAGLBSA-N 0 1 253.773 3.586 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC001231866387 1132381178 /nfs/dbraw/zinc/38/11/78/1132381178.db2.gz GDYGHQJZCYHEMQ-SNVBAGLBSA-N 0 1 253.773 3.586 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001231869257 1132384177 /nfs/dbraw/zinc/38/41/77/1132384177.db2.gz NVEWQFIJRXTFTA-RYUDHWBXSA-N 0 1 265.784 3.586 20 10 CHCDMN CCCCC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001231869451 1132384446 /nfs/dbraw/zinc/38/44/46/1132384446.db2.gz RJXDAQCICWEPII-UHFFFAOYSA-N 0 1 255.789 3.976 20 10 CHCDMN CCCCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001231869451 1132384454 /nfs/dbraw/zinc/38/44/54/1132384454.db2.gz RJXDAQCICWEPII-UHFFFAOYSA-N 0 1 255.789 3.976 20 10 CHCDMN CCCCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001231869451 1132384462 /nfs/dbraw/zinc/38/44/62/1132384462.db2.gz RJXDAQCICWEPII-UHFFFAOYSA-N 0 1 255.789 3.976 20 10 CHCDMN Cc1nc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cs1 ZINC000841745274 1132387187 /nfs/dbraw/zinc/38/71/87/1132387187.db2.gz PFWGFKGWHYSIDM-SECBINFHSA-N 0 1 296.823 3.704 20 10 CHCDMN Cc1csc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841744115 1132387293 /nfs/dbraw/zinc/38/72/93/1132387293.db2.gz FEGSIILCBUXREL-JTQLQIEISA-N 0 1 296.823 3.704 20 10 CHCDMN [O-]c1c(C[NH+]2C[C@@H]3CCC[C@H]3C2)ccc2ccccc21 ZINC001231877988 1132390535 /nfs/dbraw/zinc/39/05/35/1132390535.db2.gz CMYLTBQBYVAFLN-GJZGRUSLSA-N 0 1 267.372 3.777 20 10 CHCDMN CO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC001231884013 1132391847 /nfs/dbraw/zinc/39/18/47/1132391847.db2.gz UGSCSKHXFNDNBV-XJKSGUPXSA-N 0 1 285.387 3.545 20 10 CHCDMN CO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC001231884013 1132391856 /nfs/dbraw/zinc/39/18/56/1132391856.db2.gz UGSCSKHXFNDNBV-XJKSGUPXSA-N 0 1 285.387 3.545 20 10 CHCDMN [O-]c1c(C[NH+]2CCC(CF)CC2)ccc2ccccc21 ZINC001231881917 1132391903 /nfs/dbraw/zinc/39/19/03/1132391903.db2.gz LEQQKLOOLJKZIO-UHFFFAOYSA-N 0 1 273.351 3.727 20 10 CHCDMN Cc1ccoc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759040 1132393937 /nfs/dbraw/zinc/39/39/37/1132393937.db2.gz XCYHRYHOUUOEKF-JTQLQIEISA-N 0 1 265.740 3.798 20 10 CHCDMN CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757151 1132394646 /nfs/dbraw/zinc/39/46/46/1132394646.db2.gz MNARASLPASCGBO-VIFPVBQESA-N 0 1 294.782 3.755 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001142526942 1132403019 /nfs/dbraw/zinc/40/30/19/1132403019.db2.gz CLWJNGHBQZIFQG-UHFFFAOYSA-N 0 1 299.336 3.775 20 10 CHCDMN CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269870 1132446453 /nfs/dbraw/zinc/44/64/53/1132446453.db2.gz LNFGNGMVTAFWNY-GFCCVEGCSA-N 0 1 283.799 3.819 20 10 CHCDMN CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269870 1132446455 /nfs/dbraw/zinc/44/64/55/1132446455.db2.gz LNFGNGMVTAFWNY-GFCCVEGCSA-N 0 1 283.799 3.819 20 10 CHCDMN COc1cc(O)c(C[N@H+]2CCCCC23CC3)cc1Cl ZINC001232267703 1132446760 /nfs/dbraw/zinc/44/67/60/1132446760.db2.gz FHFZJQXJVPZQSJ-UHFFFAOYSA-N 0 1 281.783 3.573 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCCCC23CC3)cc1Cl ZINC001232267703 1132446763 /nfs/dbraw/zinc/44/67/63/1132446763.db2.gz FHFZJQXJVPZQSJ-UHFFFAOYSA-N 0 1 281.783 3.573 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCCCC23CC3)cc1Cl ZINC001232267703 1132446767 /nfs/dbraw/zinc/44/67/67/1132446767.db2.gz FHFZJQXJVPZQSJ-UHFFFAOYSA-N 0 1 281.783 3.573 20 10 CHCDMN COc1cc(O)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1Cl ZINC001232269507 1132447477 /nfs/dbraw/zinc/44/74/77/1132447477.db2.gz CKAHMLJZWUKLAX-RISCZKNCSA-N 0 1 295.810 3.819 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1Cl ZINC001232269507 1132447479 /nfs/dbraw/zinc/44/74/79/1132447479.db2.gz CKAHMLJZWUKLAX-RISCZKNCSA-N 0 1 295.810 3.819 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1Cl ZINC001232269507 1132447480 /nfs/dbraw/zinc/44/74/80/1132447480.db2.gz CKAHMLJZWUKLAX-RISCZKNCSA-N 0 1 295.810 3.819 20 10 CHCDMN COc1cc([O-])c(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC001232269486 1132447777 /nfs/dbraw/zinc/44/77/77/1132447777.db2.gz BXPNENKLGCLAPQ-QWRGUYRKSA-N 0 1 283.799 3.532 20 10 CHCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC(F)F ZINC000842889893 1132474512 /nfs/dbraw/zinc/47/45/12/1132474512.db2.gz IHQGFFBBGPGGLU-BDAKNGLRSA-N 0 1 277.742 3.988 20 10 CHCDMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233074681 1132569749 /nfs/dbraw/zinc/56/97/49/1132569749.db2.gz SNIHDWWCBMYBJU-LLVKDONJSA-N 0 1 289.325 3.790 20 10 CHCDMN C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001233078549 1132570105 /nfs/dbraw/zinc/57/01/05/1132570105.db2.gz YIFPEYJJBPXQPS-VMPITWQZSA-N 0 1 289.325 3.816 20 10 CHCDMN CC(C)(C)c1ccc(O)c(CN2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001233284358 1132594506 /nfs/dbraw/zinc/59/45/06/1132594506.db2.gz RGOGZTSGITZDOF-WBVHZDCISA-N 0 1 297.389 3.962 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2c([O-])ccc(F)c2F)cc1 ZINC001233334736 1132604287 /nfs/dbraw/zinc/60/42/87/1132604287.db2.gz RKASWKOSCLDNQD-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001233336012 1132604412 /nfs/dbraw/zinc/60/44/12/1132604412.db2.gz VHHNAWHNISQHOA-VXGBXAGGSA-N 0 1 281.346 3.683 20 10 CHCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001233335811 1132604750 /nfs/dbraw/zinc/60/47/50/1132604750.db2.gz MZPQZILJBRXIBF-UHFFFAOYSA-N 0 1 299.336 3.775 20 10 CHCDMN C[N@@H+](Cc1cc2cccnc2s1)Cc1ccccc1O ZINC001233349349 1132607822 /nfs/dbraw/zinc/60/78/22/1132607822.db2.gz OHMAMHWYEDFFEV-UHFFFAOYSA-N 0 1 284.384 3.634 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C2(CC2)C1 ZINC001233419117 1132620263 /nfs/dbraw/zinc/62/02/63/1132620263.db2.gz KACHBMOLIKNMGZ-SNVBAGLBSA-N 0 1 285.309 3.785 20 10 CHCDMN CCCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451563 1132626354 /nfs/dbraw/zinc/62/63/54/1132626354.db2.gz PKXNCRYDKOCUMP-UHFFFAOYSA-N 0 1 261.287 3.643 20 10 CHCDMN CCCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451563 1132626357 /nfs/dbraw/zinc/62/63/57/1132626357.db2.gz PKXNCRYDKOCUMP-UHFFFAOYSA-N 0 1 261.287 3.643 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001203650907 1133348289 /nfs/dbraw/zinc/34/82/89/1133348289.db2.gz GEFWCXJNLALZRC-NWDGAFQWSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001203650907 1133348295 /nfs/dbraw/zinc/34/82/95/1133348295.db2.gz GEFWCXJNLALZRC-NWDGAFQWSA-N 0 1 265.784 3.668 20 10 CHCDMN Cc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])cc1 ZINC001203657146 1133349585 /nfs/dbraw/zinc/34/95/85/1133349585.db2.gz GHKCPJJNPMNYKV-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])cc1 ZINC001203657146 1133349590 /nfs/dbraw/zinc/34/95/90/1133349590.db2.gz GHKCPJJNPMNYKV-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Oc1ccc(Cl)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC001203664368 1133352043 /nfs/dbraw/zinc/35/20/43/1133352043.db2.gz BFYFCGZQXRIUPD-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001203664368 1133352046 /nfs/dbraw/zinc/35/20/46/1133352046.db2.gz BFYFCGZQXRIUPD-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC001203664368 1133352051 /nfs/dbraw/zinc/35/20/51/1133352051.db2.gz BFYFCGZQXRIUPD-UHFFFAOYSA-N 0 1 265.784 3.812 20 10 CHCDMN CC[C@H]1c2ccccc2CCN1Cc1ccc(O)c(O)c1 ZINC001203880453 1133378622 /nfs/dbraw/zinc/37/86/22/1133378622.db2.gz SFDQIJLSKGNLPI-INIZCTEOSA-N 0 1 283.371 3.607 20 10 CHCDMN C[N@H+](Cc1ccc(O)cc1[O-])C(C)(C)Cc1ccccc1 ZINC001204279958 1133426857 /nfs/dbraw/zinc/42/68/57/1133426857.db2.gz GLGWPUXXWZUMMP-UHFFFAOYSA-N 0 1 285.387 3.551 20 10 CHCDMN C[N@@H+](Cc1ccc(O)cc1[O-])C(C)(C)Cc1ccccc1 ZINC001204279958 1133426859 /nfs/dbraw/zinc/42/68/59/1133426859.db2.gz GLGWPUXXWZUMMP-UHFFFAOYSA-N 0 1 285.387 3.551 20 10 CHCDMN Oc1ccccc1Nc1ccncc1Oc1ccccc1 ZINC001206188373 1133669246 /nfs/dbraw/zinc/66/92/46/1133669246.db2.gz NZSJPMHSWJSIGD-UHFFFAOYSA-N 0 1 278.311 3.745 20 10 CHCDMN CCC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCCC1 ZINC001206248531 1133676011 /nfs/dbraw/zinc/67/60/11/1133676011.db2.gz YNHYEDSIEGWXDS-HNNXBMFYSA-N 0 1 265.372 3.980 20 10 CHCDMN CC[N@H+](Cc1ccccc1O)CC1Cc2ccccc2C1 ZINC001209322369 1134005964 /nfs/dbraw/zinc/00/59/64/1134005964.db2.gz IRLKGWBJSBDJON-UHFFFAOYSA-N 0 1 281.399 3.629 20 10 CHCDMN CC[N@@H+](Cc1ccccc1[O-])CC1Cc2ccccc2C1 ZINC001209322369 1134005970 /nfs/dbraw/zinc/00/59/70/1134005970.db2.gz IRLKGWBJSBDJON-UHFFFAOYSA-N 0 1 281.399 3.629 20 10 CHCDMN CC[N@H+](Cc1ccccc1[O-])CC1Cc2ccccc2C1 ZINC001209322369 1134005973 /nfs/dbraw/zinc/00/59/73/1134005973.db2.gz IRLKGWBJSBDJON-UHFFFAOYSA-N 0 1 281.399 3.629 20 10 CHCDMN Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001209516203 1134032319 /nfs/dbraw/zinc/03/23/19/1134032319.db2.gz CPJUGMZBYUBPQS-WDSOQIARSA-N 0 1 298.405 3.884 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCc2occc21 ZINC000020204567 171069750 /nfs/dbraw/zinc/06/97/50/171069750.db2.gz ATCWGOAHKFPCCA-CYBMUJFWSA-N 0 1 277.751 3.806 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000035733328 172384509 /nfs/dbraw/zinc/38/45/09/172384509.db2.gz KISHOLLKQCIINH-NEPJUHHUSA-N 0 1 255.361 3.995 20 10 CHCDMN COc1cccc(CN[C@H](C)c2c(F)cccc2F)c1O ZINC000037771716 260116325 /nfs/dbraw/zinc/11/63/25/260116325.db2.gz IHYJJDAVRVQLST-SNVBAGLBSA-N 0 1 293.313 3.530 20 10 CHCDMN Cc1cccnc1CNCc1ccc(N2CCCCC2)cc1 ZINC000103712755 261332875 /nfs/dbraw/zinc/33/28/75/261332875.db2.gz HVRSZIOUEJVQLD-UHFFFAOYSA-N 0 1 295.430 3.670 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc2ccccc2c1[O-] ZINC000186234522 262312369 /nfs/dbraw/zinc/31/23/69/262312369.db2.gz SZACOSGZDAOETR-ZFWWWQNUSA-N 0 1 285.387 3.765 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cccc(F)c2[O-])s1 ZINC000272270659 263002881 /nfs/dbraw/zinc/00/28/81/263002881.db2.gz LGSGIVUSYBUYLG-UHFFFAOYSA-N 0 1 265.353 3.533 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000289890297 263112686 /nfs/dbraw/zinc/11/26/86/263112686.db2.gz SVKJOOKYTFWFMT-HNNXBMFYSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000289890297 263112687 /nfs/dbraw/zinc/11/26/87/263112687.db2.gz SVKJOOKYTFWFMT-HNNXBMFYSA-N 0 1 288.778 3.778 20 10 CHCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000529617806 333501657 /nfs/dbraw/zinc/50/16/57/333501657.db2.gz PJZFFJPRYIASIS-HERUPUMHSA-N 0 1 265.784 3.570 20 10 CHCDMN C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc2ccccc2c1[O-] ZINC000296475675 334912316 /nfs/dbraw/zinc/91/23/16/334912316.db2.gz NZPCAEAEYQWUCR-CYBMUJFWSA-N 0 1 287.403 3.605 20 10 CHCDMN CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000040773760 519224549 /nfs/dbraw/zinc/22/45/49/519224549.db2.gz XCUWEMABAVJCCA-ZFWWWQNUSA-N 0 1 287.403 3.603 20 10 CHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000020123842 520909233 /nfs/dbraw/zinc/90/92/33/520909233.db2.gz RACMQQBAJKQTTO-HNNXBMFYSA-N 0 1 283.419 3.779 20 10 CHCDMN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000191655563 523445783 /nfs/dbraw/zinc/44/57/83/523445783.db2.gz RZZCKOGAOBSDNJ-AVGNSLFASA-N 0 1 273.376 3.619 20 10 CHCDMN CCn1ccnc1[C@@H]1CCCCN1Cc1cccc(C)c1O ZINC000280888823 523553166 /nfs/dbraw/zinc/55/31/66/523553166.db2.gz DEBLYLWUXRSTEG-INIZCTEOSA-N 0 1 299.418 3.644 20 10 CHCDMN CO[C@](C)(C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000291207756 524027495 /nfs/dbraw/zinc/02/74/95/524027495.db2.gz MNQLGYFJAMPGGB-MEBBXXQBSA-N 0 1 283.799 3.511 20 10 CHCDMN Cc1ccc(O)c(CN2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000366545599 525340726 /nfs/dbraw/zinc/34/07/26/525340726.db2.gz QQMLQBRAFCULIQ-QGZVFWFLSA-N 0 1 282.387 3.679 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278366490 526362800 /nfs/dbraw/zinc/36/28/00/526362800.db2.gz KCTUURRCRVTJJJ-VIFPVBQESA-N 0 1 293.716 3.820 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278366490 526362804 /nfs/dbraw/zinc/36/28/04/526362804.db2.gz KCTUURRCRVTJJJ-VIFPVBQESA-N 0 1 293.716 3.820 20 10 CHCDMN C[N@H+](Cc1ccsc1)Cc1cc(Cl)ccc1[O-] ZINC000120469152 1117917585 /nfs/dbraw/zinc/91/75/85/1117917585.db2.gz QLCJEDWHNDKVLS-UHFFFAOYSA-N 0 1 267.781 3.739 20 10 CHCDMN C[N@@H+](Cc1ccsc1)Cc1cc(Cl)ccc1[O-] ZINC000120469152 1117917588 /nfs/dbraw/zinc/91/75/88/1117917588.db2.gz QLCJEDWHNDKVLS-UHFFFAOYSA-N 0 1 267.781 3.739 20 10 CHCDMN Cc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000113314200 1125493768 /nfs/dbraw/zinc/49/37/68/1125493768.db2.gz PYNNFTNXQWYWCS-LBPRGKRZSA-N 0 1 276.355 3.644 20 10 CHCDMN C[C@H]([NH2+]CCCc1nccs1)c1cc(Cl)ccc1[O-] ZINC000273493081 1122236536 /nfs/dbraw/zinc/23/65/36/1122236536.db2.gz OQVRRKHJVKEBJB-JTQLQIEISA-N 0 1 296.823 3.786 20 10 CHCDMN CC(F)(F)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824482686 1131470611 /nfs/dbraw/zinc/47/06/11/1131470611.db2.gz CBKPZUCBJVDGAZ-UHFFFAOYSA-N 0 1 265.303 3.680 20 10 CHCDMN CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000834905363 1131728262 /nfs/dbraw/zinc/72/82/62/1131728262.db2.gz UDZGSNVBTNRHEK-FTGAXOIBSA-N 0 1 283.799 3.510 20 10 CHCDMN CCOC1CC(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840942260 1132311312 /nfs/dbraw/zinc/31/13/12/1132311312.db2.gz XAZOCAUGYHQGDE-UHFFFAOYSA-N 0 1 297.826 3.649 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC3(CCC3)C2)cc1Cl ZINC001231870659 1132384687 /nfs/dbraw/zinc/38/46/87/1132384687.db2.gz MSBCUIWKICAMLZ-UHFFFAOYSA-N 0 1 265.784 3.730 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC3(CCC3)C2)cc1Cl ZINC001231870659 1132384695 /nfs/dbraw/zinc/38/46/95/1132384695.db2.gz MSBCUIWKICAMLZ-UHFFFAOYSA-N 0 1 265.784 3.730 20 10 CHCDMN C[C@@H]([NH2+]CCc1ccco1)c1ccc(Cl)cc1[O-] ZINC000841745173 1132388167 /nfs/dbraw/zinc/38/81/67/1132388167.db2.gz VQHYWLPQAZCQAE-SNVBAGLBSA-N 0 1 265.740 3.532 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001231911824 1132399741 /nfs/dbraw/zinc/39/97/41/1132399741.db2.gz OCRIJFDRJXIQNR-JTQLQIEISA-N 0 1 275.726 3.523 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)CC(F)F)c(Cl)c1 ZINC000842728678 1132455463 /nfs/dbraw/zinc/45/54/63/1132455463.db2.gz HEZOLYGFTBHZLC-VIFPVBQESA-N 0 1 277.742 3.735 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000884482664 1125568368 /nfs/dbraw/zinc/56/83/68/1125568368.db2.gz GEDKAKKDTFRYBR-DNVCBOLYSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000884482664 1125568372 /nfs/dbraw/zinc/56/83/72/1125568372.db2.gz GEDKAKKDTFRYBR-DNVCBOLYSA-N 0 1 297.398 3.546 20 10 CHCDMN CCOc1ccccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000215913093 1125581811 /nfs/dbraw/zinc/58/18/11/1125581811.db2.gz RTJSAYHLGJUQRV-UHFFFAOYSA-N 0 1 298.430 3.783 20 10 CHCDMN CC(C)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000135648240 1125594136 /nfs/dbraw/zinc/59/41/36/1125594136.db2.gz RRACALCNZXVZEO-LLVKDONJSA-N 0 1 298.224 3.633 20 10 CHCDMN CC(C)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000135648240 1125594141 /nfs/dbraw/zinc/59/41/41/1125594141.db2.gz RRACALCNZXVZEO-LLVKDONJSA-N 0 1 298.224 3.633 20 10 CHCDMN CC(C)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000135648240 1125594144 /nfs/dbraw/zinc/59/41/44/1125594144.db2.gz RRACALCNZXVZEO-LLVKDONJSA-N 0 1 298.224 3.633 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)ccc2ccccc21 ZINC000897506277 1125595236 /nfs/dbraw/zinc/59/52/36/1125595236.db2.gz XSZMREPTMKWGHU-FUHWJXTLSA-N 0 1 297.398 3.593 20 10 CHCDMN Cc1ccncc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759373 1125599395 /nfs/dbraw/zinc/59/93/95/1125599395.db2.gz YYSXYALGDJURND-NSHDSACASA-N 0 1 276.767 3.600 20 10 CHCDMN Cc1cc(C)c([C@H](C)NCc2cc(C3CC3)no2)c(O)c1 ZINC000886684745 1125708511 /nfs/dbraw/zinc/70/85/11/1125708511.db2.gz RFATUKQPYIZTDV-LBPRGKRZSA-N 0 1 286.375 3.725 20 10 CHCDMN COCc1cccc(N[C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187843525 1126916170 /nfs/dbraw/zinc/91/61/70/1126916170.db2.gz IUKPVCMZUYHYKX-JTQLQIEISA-N 0 1 293.313 3.990 20 10 CHCDMN CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000191655591 1126953725 /nfs/dbraw/zinc/95/37/25/1126953725.db2.gz RZZCKOGAOBSDNJ-XQQFMLRXSA-N 0 1 273.376 3.619 20 10 CHCDMN CCc1cnc(CN[C@H](C)c2c(C)cc(C)cc2O)s1 ZINC000284307306 1126982495 /nfs/dbraw/zinc/98/24/95/1126982495.db2.gz ZALNLEMWUZARDR-GFCCVEGCSA-N 0 1 290.432 3.879 20 10 CHCDMN CCc1ccc(C[N@@H+](C)CCc2cccs2)c(O)c1 ZINC001236794374 1131009149 /nfs/dbraw/zinc/00/91/49/1131009149.db2.gz LKKFPSGUDNIHBF-UHFFFAOYSA-N 0 1 275.417 3.691 20 10 CHCDMN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236804788 1131011672 /nfs/dbraw/zinc/01/16/72/1131011672.db2.gz ZOEMREZFGWCKAV-LLVKDONJSA-N 0 1 283.799 3.819 20 10 CHCDMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236804788 1131011679 /nfs/dbraw/zinc/01/16/79/1131011679.db2.gz ZOEMREZFGWCKAV-LLVKDONJSA-N 0 1 283.799 3.819 20 10 CHCDMN CCc1ccc(C[N@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC001236794876 1131007942 /nfs/dbraw/zinc/00/79/42/1131007942.db2.gz QOQYELUJHHJSQB-UHFFFAOYSA-N 0 1 259.393 3.721 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c(Cl)c1 ZINC001236798218 1131008110 /nfs/dbraw/zinc/00/81/10/1131008110.db2.gz DFJRQULRTXIYCS-GHMZBOCLSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2C)c(Cl)c1 ZINC001236798218 1131008112 /nfs/dbraw/zinc/00/81/12/1131008112.db2.gz DFJRQULRTXIYCS-GHMZBOCLSA-N 0 1 283.799 3.675 20 10 CHCDMN C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293711171 1127514253 /nfs/dbraw/zinc/51/42/53/1127514253.db2.gz UTHMNVBWSPYSBN-SNVBAGLBSA-N 0 1 294.757 3.773 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](CC(C)C)C2CC2)c1[O-] ZINC000761191853 1127517198 /nfs/dbraw/zinc/51/71/98/1127517198.db2.gz CZMQVKVSEBVJFL-UHFFFAOYSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](CC(C)C)C2CC2)c1[O-] ZINC000761191853 1127517201 /nfs/dbraw/zinc/51/72/01/1127517201.db2.gz CZMQVKVSEBVJFL-UHFFFAOYSA-N 0 1 283.799 3.675 20 10 CHCDMN CCc1noc(C)c1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000293819803 1127523078 /nfs/dbraw/zinc/52/30/78/1127523078.db2.gz WHYGVEQRCNUKMP-SECBINFHSA-N 0 1 294.782 3.755 20 10 CHCDMN C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000060942095 1127625034 /nfs/dbraw/zinc/62/50/34/1127625034.db2.gz VPHYVIWVEKOODO-NSHDSACASA-N 0 1 293.769 3.906 20 10 CHCDMN C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000230672525 1127770898 /nfs/dbraw/zinc/77/08/98/1127770898.db2.gz PXXDEJIQSDOXCA-UONOGXRCSA-N 0 1 285.387 3.623 20 10 CHCDMN CC[C@@H]([NH2+]CCC1CC1)c1cc(Br)ccc1[O-] ZINC000088454373 1127937286 /nfs/dbraw/zinc/93/72/86/1127937286.db2.gz SUDGEWHFQXGHNY-CYBMUJFWSA-N 0 1 298.224 3.996 20 10 CHCDMN C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(Cl)cc1[O-] ZINC000927156690 1128223388 /nfs/dbraw/zinc/22/33/88/1128223388.db2.gz BETMHRSQWZUDCM-IAQYHMDHSA-N 0 1 295.810 3.798 20 10 CHCDMN Cc1c(CN2CC[C@](C)(F)[C@H](F)C2)c2ccccc2n1C ZINC001138252517 1128281842 /nfs/dbraw/zinc/28/18/42/1128281842.db2.gz JOOODJRMUHIUGG-SJORKVTESA-N 0 1 292.373 3.759 20 10 CHCDMN Cc1cc(O)c(CN2CCO[C@H](C(C)C)C2)cc1C(C)C ZINC000777969209 1128352132 /nfs/dbraw/zinc/35/21/32/1128352132.db2.gz OREVNBALUSUXHE-SFHVURJKSA-N 0 1 291.435 3.681 20 10 CHCDMN C[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1F ZINC000777967751 1128352168 /nfs/dbraw/zinc/35/21/68/1128352168.db2.gz ZAMAMLSNMCDXTO-SMDDNHRTSA-N 0 1 295.398 3.575 20 10 CHCDMN C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1cc(F)ccc1[O-] ZINC000324606572 1128389555 /nfs/dbraw/zinc/38/95/55/1128389555.db2.gz BJRZXUUFPGHJAE-QFYYESIMSA-N 0 1 263.356 3.761 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1[O-] ZINC000042774010 1128584939 /nfs/dbraw/zinc/58/49/39/1128584939.db2.gz MXCNCHCRAOWKEP-NSHDSACASA-N 0 1 281.371 3.600 20 10 CHCDMN Oc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)cc1 ZINC000779000023 1128676296 /nfs/dbraw/zinc/67/62/96/1128676296.db2.gz SNHPNFHMFVQACK-MRXNPFEDSA-N 0 1 287.334 3.574 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)[C@@H]1c1ccccc1 ZINC000779034653 1128691687 /nfs/dbraw/zinc/69/16/87/1128691687.db2.gz ZEMIKUJOUFPOHF-PXAZEXFGSA-N 0 1 271.335 3.724 20 10 CHCDMN CCC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000048621940 1128720053 /nfs/dbraw/zinc/72/00/53/1128720053.db2.gz OTQJJTVCERCFJO-UHFFFAOYSA-N 0 1 270.376 3.562 20 10 CHCDMN C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N(C)C1CC1 ZINC000185368853 1117814441 /nfs/dbraw/zinc/81/44/41/1117814441.db2.gz BVLZCAOZTDLOGE-KBPBESRZSA-N 0 1 298.430 3.679 20 10 CHCDMN CC(C)c1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC000705589383 1118013275 /nfs/dbraw/zinc/01/32/75/1118013275.db2.gz YSSXNJYTWSRRTJ-LLVKDONJSA-N 0 1 276.405 3.823 20 10 CHCDMN CCC1([NH2+]Cc2cc(Br)ccc2[O-])CCCC1 ZINC000382583776 1118055779 /nfs/dbraw/zinc/05/57/79/1118055779.db2.gz WSCMAPSROIAENH-UHFFFAOYSA-N 0 1 298.224 3.967 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000749976358 1118087164 /nfs/dbraw/zinc/08/71/64/1118087164.db2.gz LHCVHXPHDNPJKH-GJZGRUSLSA-N 0 1 282.387 3.562 20 10 CHCDMN Cc1cc(CN2CCO[C@@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000765098294 1118135024 /nfs/dbraw/zinc/13/50/24/1118135024.db2.gz GITHWOWKYGYYHN-KGLIPLIRSA-N 0 1 291.435 3.607 20 10 CHCDMN C[C@@H]1CCCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552198 1118168666 /nfs/dbraw/zinc/16/86/66/1118168666.db2.gz XDXZQYVVDZSAKX-NEPJUHHUSA-N 0 1 267.800 3.962 20 10 CHCDMN CCc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)o1 ZINC000765610639 1118182488 /nfs/dbraw/zinc/18/24/88/1118182488.db2.gz WNGJWKQAXQTXSA-GFCCVEGCSA-N 0 1 271.360 3.628 20 10 CHCDMN CCOc1cccc(CN(C)Cc2ccccc2F)c1O ZINC000160728014 1118533585 /nfs/dbraw/zinc/53/35/85/1118533585.db2.gz GGDYBVUKVZDOIV-UHFFFAOYSA-N 0 1 289.350 3.562 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000834875796 1118601603 /nfs/dbraw/zinc/60/16/03/1118601603.db2.gz UMCLNSXXVCXAQJ-JSGCOSHPSA-N 0 1 283.799 3.654 20 10 CHCDMN CCn1ccnc1[C@@H](C)N[C@H](C)c1cc(Cl)ccc1O ZINC000834893291 1118613601 /nfs/dbraw/zinc/61/36/01/1118613601.db2.gz FHOBCAYPTALJMO-GHMZBOCLSA-N 0 1 293.798 3.674 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051630680 1119059489 /nfs/dbraw/zinc/05/94/89/1119059489.db2.gz ZHKOWDWZKJTYIZ-MRXNPFEDSA-N 0 1 287.790 3.693 20 10 CHCDMN [O-]c1ccc(F)cc1C[NH2+]C1CCCCCCC1 ZINC000226582146 1119208160 /nfs/dbraw/zinc/20/81/60/1119208160.db2.gz YLHVSWVVFSHPAX-UHFFFAOYSA-N 0 1 251.345 3.734 20 10 CHCDMN C[C@H]([NH2+]CC1(C)CC1)c1ccc(Br)cc1[O-] ZINC000309502781 1119387713 /nfs/dbraw/zinc/38/77/13/1119387713.db2.gz BGVMINVTHNCTEE-VIFPVBQESA-N 0 1 284.197 3.605 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C(C)C)C2CC2)c1[O-] ZINC000177016850 1119693985 /nfs/dbraw/zinc/69/39/85/1119693985.db2.gz GTIHMNPCURFFCC-UHFFFAOYSA-N 0 1 281.783 3.621 20 10 CHCDMN C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(Br)cc1[O-] ZINC000850508948 1119962404 /nfs/dbraw/zinc/96/24/04/1119962404.db2.gz MJNPINLKRADJSD-KOLCDFICSA-N 0 1 282.181 3.524 20 10 CHCDMN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C(C)(C)C ZINC000715701126 1120237347 /nfs/dbraw/zinc/23/73/47/1120237347.db2.gz DCMDWTXAYCHFMA-UHFFFAOYSA-N 0 1 290.176 3.524 20 10 CHCDMN Cc1cccc(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)c1O ZINC000180443367 1120275693 /nfs/dbraw/zinc/27/56/93/1120275693.db2.gz OKPFWYRNUGWYSC-CRAIPNDOSA-N 0 1 297.398 3.663 20 10 CHCDMN Cc1ccc(O)c(CN(C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000181014298 1120286788 /nfs/dbraw/zinc/28/67/88/1120286788.db2.gz GAEJPFYVVCOSPC-UHFFFAOYSA-N 0 1 295.304 3.750 20 10 CHCDMN C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000756421475 1120336833 /nfs/dbraw/zinc/33/68/33/1120336833.db2.gz ZVXNUSXGWWQSNX-QWHCGFSZSA-N 0 1 296.842 3.571 20 10 CHCDMN Cc1cc(Nc2cc(F)cc(F)c2O)c2ccccc2n1 ZINC001212477577 1120353768 /nfs/dbraw/zinc/35/37/68/1120353768.db2.gz INVZTNIEIXUNGZ-UHFFFAOYSA-N 0 1 286.281 3.693 20 10 CHCDMN C[C@@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CC1 ZINC000756483699 1120372994 /nfs/dbraw/zinc/37/29/94/1120372994.db2.gz VJVUJXODGHUSDO-GBIKHYSHSA-N 0 1 263.356 3.715 20 10 CHCDMN Cc1cccc(CN(C)Cc2ccc(F)cc2F)c1O ZINC000775649061 1120449585 /nfs/dbraw/zinc/44/95/85/1120449585.db2.gz ZOSTYYTXIKVHII-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN CSC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000193805651 1120582310 /nfs/dbraw/zinc/58/23/10/1120582310.db2.gz KPGRHGMLGSQNIN-SNVBAGLBSA-N 0 1 285.840 3.982 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922844994 1120612647 /nfs/dbraw/zinc/61/26/47/1120612647.db2.gz JJGNTBWNJGMJGM-LLVKDONJSA-N 0 1 297.851 3.954 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(Br)ccc1[O-] ZINC000252966493 1120872327 /nfs/dbraw/zinc/87/23/27/1120872327.db2.gz SRVODLWKADLVGN-BREBYQMCSA-N 0 1 298.224 3.851 20 10 CHCDMN C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C[C@H](C)O ZINC000185521492 1120911569 /nfs/dbraw/zinc/91/15/69/1120911569.db2.gz JRLBCKCZCXNKHY-RDBSUJKOSA-N 0 1 287.403 3.603 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1C=CCC1)c1cc(Br)ccc1[O-] ZINC000700586054 1121107526 /nfs/dbraw/zinc/10/75/26/1121107526.db2.gz GJOPMPBYFYVUBR-YPMHNXCESA-N 0 1 296.208 3.914 20 10 CHCDMN CCC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C1CC1 ZINC000728903986 1121182228 /nfs/dbraw/zinc/18/22/28/1121182228.db2.gz DTTBJWGQXMUTCM-UHFFFAOYSA-N 0 1 285.387 3.928 20 10 CHCDMN CCC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000728903986 1121182229 /nfs/dbraw/zinc/18/22/29/1121182229.db2.gz DTTBJWGQXMUTCM-UHFFFAOYSA-N 0 1 285.387 3.928 20 10 CHCDMN CCC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000728903986 1121182232 /nfs/dbraw/zinc/18/22/32/1121182232.db2.gz DTTBJWGQXMUTCM-UHFFFAOYSA-N 0 1 285.387 3.928 20 10 CHCDMN CCOc1ccccc1NCc1ccc(F)c(F)c1O ZINC000703273153 1121240925 /nfs/dbraw/zinc/24/09/25/1121240925.db2.gz GZTYZSMIMJTCJX-UHFFFAOYSA-N 0 1 279.286 3.681 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000706475361 1121430246 /nfs/dbraw/zinc/43/02/46/1121430246.db2.gz HHDJBBQZQLSHFI-UWVGGRQHSA-N 0 1 281.783 3.621 20 10 CHCDMN C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000706497663 1121431998 /nfs/dbraw/zinc/43/19/98/1121431998.db2.gz DPZQPZLIWWJVKR-AOOOYVTPSA-N 0 1 284.197 3.528 20 10 CHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000706497663 1121432004 /nfs/dbraw/zinc/43/20/04/1121432004.db2.gz DPZQPZLIWWJVKR-AOOOYVTPSA-N 0 1 284.197 3.528 20 10 CHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CC12CCCC2 ZINC000706868291 1121442614 /nfs/dbraw/zinc/44/26/14/1121442614.db2.gz AUPIVCDQEYUTSC-ZDUSSCGKSA-N 0 1 296.208 3.577 20 10 CHCDMN Cc1cc(Nc2ccc(Cl)c(Cl)c2[O-])cc(C)[nH+]1 ZINC001176056894 1121543652 /nfs/dbraw/zinc/54/36/52/1121543652.db2.gz HDYYQPIVYSWSTA-UHFFFAOYSA-N 0 1 283.158 3.876 20 10 CHCDMN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@@H](C)C1 ZINC000252139175 1121648449 /nfs/dbraw/zinc/64/84/49/1121648449.db2.gz MXSNKLTUFNPRAN-YABSGUDNSA-N 0 1 267.800 3.960 20 10 CHCDMN CCC[C@@H](C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC001179468949 1121880866 /nfs/dbraw/zinc/88/08/66/1121880866.db2.gz VCPBBFHLMRNJLX-LLVKDONJSA-N 0 1 255.789 3.962 20 10 CHCDMN C[C@@H](CC1CCC1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000710274616 1121969137 /nfs/dbraw/zinc/96/91/37/1121969137.db2.gz DPZDDFWHLRCVDK-JTQLQIEISA-N 0 1 298.224 3.823 20 10 CHCDMN C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1c([O-])cccc1Cl ZINC000733324784 1121976324 /nfs/dbraw/zinc/97/63/24/1121976324.db2.gz CGHKRUMFHXLDFJ-MLGOLLRUSA-N 0 1 297.826 3.731 20 10 CHCDMN C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1c([O-])cccc1Cl ZINC000733324785 1121976427 /nfs/dbraw/zinc/97/64/27/1121976427.db2.gz CGHKRUMFHXLDFJ-WBMJQRKESA-N 0 1 297.826 3.731 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2CC[C@H]2C(C)C)cc1Cl ZINC001180326202 1121981635 /nfs/dbraw/zinc/98/16/35/1121981635.db2.gz ITISWLKGNZYMGV-ZDUSSCGKSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]2C(C)C)cc1Cl ZINC001180326202 1121981642 /nfs/dbraw/zinc/98/16/42/1121981642.db2.gz ITISWLKGNZYMGV-ZDUSSCGKSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]2C(C)C)cc1Cl ZINC001180326202 1121981650 /nfs/dbraw/zinc/98/16/50/1121981650.db2.gz ITISWLKGNZYMGV-ZDUSSCGKSA-N 0 1 253.773 3.584 20 10 CHCDMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181102184 1122033587 /nfs/dbraw/zinc/03/35/87/1122033587.db2.gz JNAVLPFLUDFZJQ-MFKMUULPSA-N 0 1 253.773 3.666 20 10 CHCDMN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181102184 1122033580 /nfs/dbraw/zinc/03/35/80/1122033580.db2.gz JNAVLPFLUDFZJQ-MFKMUULPSA-N 0 1 253.773 3.666 20 10 CHCDMN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181543951 1122061557 /nfs/dbraw/zinc/06/15/57/1122061557.db2.gz IYRNOBWGQURMGT-GXFFZTMASA-N 0 1 253.773 3.809 20 10 CHCDMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181543951 1122061563 /nfs/dbraw/zinc/06/15/63/1122061563.db2.gz IYRNOBWGQURMGT-GXFFZTMASA-N 0 1 253.773 3.809 20 10 CHCDMN CC1(C)C[N@@H+](Cc2ccc(Cl)cc2O)[C@@H]1C1CC1 ZINC001182183880 1122117142 /nfs/dbraw/zinc/11/71/42/1122117142.db2.gz KIROCDINYCGHDI-CQSZACIVSA-N 0 1 265.784 3.666 20 10 CHCDMN CC1(C)C[N@H+](Cc2ccc(Cl)cc2[O-])[C@@H]1C1CC1 ZINC001182183880 1122117147 /nfs/dbraw/zinc/11/71/47/1122117147.db2.gz KIROCDINYCGHDI-CQSZACIVSA-N 0 1 265.784 3.666 20 10 CHCDMN CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[O-])[C@@H]1C1CC1 ZINC001182183880 1122117148 /nfs/dbraw/zinc/11/71/48/1122117148.db2.gz KIROCDINYCGHDI-CQSZACIVSA-N 0 1 265.784 3.666 20 10 CHCDMN CCc1cccnc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000780706011 1122144472 /nfs/dbraw/zinc/14/44/72/1122144472.db2.gz JYQBBLAUBCMACY-CQSZACIVSA-N 0 1 283.419 3.561 20 10 CHCDMN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000272034714 1122188410 /nfs/dbraw/zinc/18/84/10/1122188410.db2.gz UYMQQNSWSKWSCK-STQMWFEESA-N 0 1 297.826 3.729 20 10 CHCDMN Cc1nc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cs1 ZINC000273427483 1122232415 /nfs/dbraw/zinc/23/24/15/1122232415.db2.gz UPIJIFBKJUGLAI-VIFPVBQESA-N 0 1 296.823 3.704 20 10 CHCDMN Cc1cccc(C)c1C[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001184035536 1122252830 /nfs/dbraw/zinc/25/28/30/1122252830.db2.gz PBFMIQMTNQOOSP-UHFFFAOYSA-N 0 1 291.341 3.919 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2ccccc2O)cc1Cl ZINC000774840923 1122326416 /nfs/dbraw/zinc/32/64/16/1122326416.db2.gz PPFFTVRKHNXEJF-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1ccc(F)c(CN(C)Cc2cc(F)ccc2O)c1 ZINC000775166864 1122464568 /nfs/dbraw/zinc/46/45/68/1122464568.db2.gz BUPYQKIAPWAENA-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN CC[C@@H]([NH2+]Cc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000775490234 1122619661 /nfs/dbraw/zinc/61/96/61/1122619661.db2.gz ALVNLJYJRUGJQF-CYBMUJFWSA-N 0 1 265.740 3.880 20 10 CHCDMN CCCCOCC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775495795 1122624264 /nfs/dbraw/zinc/62/42/64/1122624264.db2.gz BYDBDCSEVZVMNX-CQSZACIVSA-N 0 1 285.815 3.903 20 10 CHCDMN CC[C@@H](C)N(C)CC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775501929 1122628580 /nfs/dbraw/zinc/62/85/80/1122628580.db2.gz URDPIWVHSUYVPP-IUODEOHRSA-N 0 1 298.858 3.817 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000775510939 1122633787 /nfs/dbraw/zinc/63/37/87/1122633787.db2.gz BGPYOPZJOOKZIB-AAEUAGOBSA-N 0 1 285.840 3.982 20 10 CHCDMN CC[C@@H]([NH2+]C1CC=CC1)c1cc(Cl)ccc1[O-] ZINC000775513762 1122634952 /nfs/dbraw/zinc/63/49/52/1122634952.db2.gz MAQQUUOHIJEEGK-CYBMUJFWSA-N 0 1 251.757 3.805 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775520203 1122638946 /nfs/dbraw/zinc/63/89/46/1122638946.db2.gz QPTMGIICLCGWGA-ZOWXZIJZSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1cc(Cl)ccc1[O-] ZINC000775522931 1122639759 /nfs/dbraw/zinc/63/97/59/1122639759.db2.gz BYHGELQOQKIYFD-NOZJJQNGSA-N 0 1 279.771 3.571 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1cc(Cl)ccc1[O-] ZINC000775532433 1122649647 /nfs/dbraw/zinc/64/96/47/1122649647.db2.gz UNORKLWZGXVEEG-DIOULYMOSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1cc(Cl)ccc1[O-] ZINC000775532435 1122650188 /nfs/dbraw/zinc/65/01/88/1122650188.db2.gz UNORKLWZGXVEEG-PJODQICGSA-N 0 1 297.826 3.901 20 10 CHCDMN C=Cc1ccc(NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 ZINC001193612757 1122700994 /nfs/dbraw/zinc/70/09/94/1122700994.db2.gz SHXBYYNFUDLOTG-UHFFFAOYSA-N 0 1 289.718 3.647 20 10 CHCDMN Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])on1 ZINC000775655146 1122866500 /nfs/dbraw/zinc/86/65/00/1122866500.db2.gz AJQCCCCFIVPETC-ZDUSSCGKSA-N 0 1 292.766 3.679 20 10 CHCDMN Cc1cc(Cl)cc(C[N@@H+](CCCO)CC(C)(C)C)c1[O-] ZINC000775681786 1122902062 /nfs/dbraw/zinc/90/20/62/1122902062.db2.gz SPKZOUBQONMAAI-UHFFFAOYSA-N 0 1 299.842 3.585 20 10 CHCDMN Cc1cc(Cl)cc(C[N@H+](CCCO)CC(C)(C)C)c1[O-] ZINC000775681786 1122902056 /nfs/dbraw/zinc/90/20/56/1122902056.db2.gz SPKZOUBQONMAAI-UHFFFAOYSA-N 0 1 299.842 3.585 20 10 CHCDMN C[C@H]1SCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1C ZINC000775700994 1122912068 /nfs/dbraw/zinc/91/20/68/1122912068.db2.gz ABOJDZYLGHFVLE-RKDXNWHRSA-N 0 1 289.803 3.511 20 10 CHCDMN Cc1cccc(CN2CCc3c(F)cc(F)cc3C2)c1O ZINC000775734077 1122926947 /nfs/dbraw/zinc/92/69/47/1122926947.db2.gz KJTPNZHKUQQDGL-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CC(F)(F)F)cc1Cl ZINC000825530471 1123026809 /nfs/dbraw/zinc/02/68/09/1123026809.db2.gz NAUQCZVLYLCPTI-QMMMGPOBSA-N 0 1 281.705 3.785 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000776248271 1123182478 /nfs/dbraw/zinc/18/24/78/1123182478.db2.gz LLZHBZZPIANBRJ-HBUWYVDXSA-N 0 1 299.801 3.721 20 10 CHCDMN CC(F)(F)C(C)(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000696587891 1123216011 /nfs/dbraw/zinc/21/60/11/1123216011.db2.gz WHMCSIDURVFWOO-UHFFFAOYSA-N 0 1 277.742 3.817 20 10 CHCDMN CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000850495267 1123275273 /nfs/dbraw/zinc/27/52/73/1123275273.db2.gz ZFHCHTHGKRBXLY-SMDDNHRTSA-N 0 1 297.826 3.901 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CC[C@@H](OC)C1 ZINC000852019038 1123392798 /nfs/dbraw/zinc/39/27/98/1123392798.db2.gz TUFNGHSRZSHVSR-HZPDHXFCSA-N 0 1 277.408 3.562 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[C@@H](OC)C1 ZINC000852019038 1123392805 /nfs/dbraw/zinc/39/28/05/1123392805.db2.gz TUFNGHSRZSHVSR-HZPDHXFCSA-N 0 1 277.408 3.562 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](OC)C1 ZINC000852019039 1123393372 /nfs/dbraw/zinc/39/33/72/1123393372.db2.gz TUFNGHSRZSHVSR-JKSUJKDBSA-N 0 1 277.408 3.562 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](OC)C1 ZINC000852019039 1123393375 /nfs/dbraw/zinc/39/33/75/1123393375.db2.gz TUFNGHSRZSHVSR-JKSUJKDBSA-N 0 1 277.408 3.562 20 10 CHCDMN C[C@H]1COC2(CCC2)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000853542759 1123442785 /nfs/dbraw/zinc/44/27/85/1123442785.db2.gz UHUAVDYPRULLSW-AWEZNQCLSA-N 0 1 297.398 3.689 20 10 CHCDMN Cc1cc(O)c(CNCc2cc(C3CC3)no2)cc1Cl ZINC000895763917 1123511281 /nfs/dbraw/zinc/51/12/81/1123511281.db2.gz CWNWADVCTPWYIM-UHFFFAOYSA-N 0 1 292.766 3.509 20 10 CHCDMN C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000857081692 1123585942 /nfs/dbraw/zinc/58/59/42/1123585942.db2.gz QDOWEUBOKXSDPA-IUCAKERBSA-N 0 1 275.726 3.742 20 10 CHCDMN Cc1ccc(O)c(CNCc2ncc(C(C)C)s2)c1 ZINC000858239883 1123639071 /nfs/dbraw/zinc/63/90/71/1123639071.db2.gz VSGYEWSXDIJYDW-UHFFFAOYSA-N 0 1 276.405 3.570 20 10 CHCDMN Oc1ccccc1CNC1(c2c(F)cccc2F)CCC1 ZINC000858341316 1123646149 /nfs/dbraw/zinc/64/61/49/1123646149.db2.gz BJKMQKUPCDFZHL-UHFFFAOYSA-N 0 1 289.325 3.839 20 10 CHCDMN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000858592545 1123665854 /nfs/dbraw/zinc/66/58/54/1123665854.db2.gz FSIFLZODDJTPGK-KCQAQPDRSA-N 0 1 285.387 3.621 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000281273120 1123692524 /nfs/dbraw/zinc/69/25/24/1123692524.db2.gz YRHQLFBFJBIFOS-VHSXEESVSA-N 0 1 273.298 3.617 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000281273108 1123692701 /nfs/dbraw/zinc/69/27/01/1123692701.db2.gz YRHQLFBFJBIFOS-NXEZZACHSA-N 0 1 273.298 3.617 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000691832349 1123741888 /nfs/dbraw/zinc/74/18/88/1123741888.db2.gz WVEWAWRIYMPMPY-LBPRGKRZSA-N 0 1 295.810 3.627 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000840860254 1123861633 /nfs/dbraw/zinc/86/16/33/1123861633.db2.gz RHFJDUAXUNLQJU-KKZNHRDASA-N 0 1 271.813 3.590 20 10 CHCDMN C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000763646198 1129151585 /nfs/dbraw/zinc/15/15/85/1129151585.db2.gz KGHOYXFVFZLVQI-NSHDSACASA-N 0 1 265.784 3.810 20 10 CHCDMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000763646198 1129151588 /nfs/dbraw/zinc/15/15/88/1129151588.db2.gz KGHOYXFVFZLVQI-NSHDSACASA-N 0 1 265.784 3.810 20 10 CHCDMN Oc1c(CNc2ccc3ncccc3c2)ccc(F)c1F ZINC000864025172 1123910580 /nfs/dbraw/zinc/91/05/80/1123910580.db2.gz PCZPYLOHYRWUOH-UHFFFAOYSA-N 0 1 286.281 3.831 20 10 CHCDMN CCc1ccc(NCc2ccc(F)c(F)c2O)cc1F ZINC000864030563 1123911865 /nfs/dbraw/zinc/91/18/65/1123911865.db2.gz NHHOPQKZVWILMI-UHFFFAOYSA-N 0 1 281.277 3.984 20 10 CHCDMN CCOc1ccc(NCc2ccc(F)c(F)c2O)c(F)c1 ZINC000864041717 1123912913 /nfs/dbraw/zinc/91/29/13/1123912913.db2.gz YYPLXSDTMZVKJF-UHFFFAOYSA-N 0 1 297.276 3.820 20 10 CHCDMN C[C@H]([NH2+]CCC1(C)CC1)c1cc(Br)ccc1[O-] ZINC000794826692 1123962259 /nfs/dbraw/zinc/96/22/59/1123962259.db2.gz CSNMAJVIJZDOFA-JTQLQIEISA-N 0 1 298.224 3.996 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000794836582 1123971584 /nfs/dbraw/zinc/97/15/84/1123971584.db2.gz UIOBUFADZFQZSH-UKRRQHHQSA-N 0 1 297.826 3.637 20 10 CHCDMN Cc1ccc(O)c(CN(C)Cc2nc3ccccc3s2)c1 ZINC000120800551 1124024827 /nfs/dbraw/zinc/02/48/27/1124024827.db2.gz YTYYHYPJKWLPNP-UHFFFAOYSA-N 0 1 298.411 3.942 20 10 CHCDMN C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000866498877 1124073807 /nfs/dbraw/zinc/07/38/07/1124073807.db2.gz BXQFZEIBLLRVJQ-WQGWLQIFSA-N 0 1 279.689 3.647 20 10 CHCDMN CCc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000122486239 1124503674 /nfs/dbraw/zinc/50/36/74/1124503674.db2.gz XXXCHXHDBNAUSN-LBPRGKRZSA-N 0 1 290.382 3.898 20 10 CHCDMN Cc1cc(-c2nccc3c2ccn3C)cnc1OCC(C)C ZINC001238921125 1131270618 /nfs/dbraw/zinc/27/06/18/1131270618.db2.gz DAERQKLXADGYNV-UHFFFAOYSA-N 0 1 295.386 3.979 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cc(Cl)ccc1[O-] ZINC000872110041 1124686557 /nfs/dbraw/zinc/68/65/57/1124686557.db2.gz VJWXYKSLFAAPAA-NGOBNIPXSA-N 0 1 295.810 3.654 20 10 CHCDMN Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000872129720 1124690622 /nfs/dbraw/zinc/69/06/22/1124690622.db2.gz ATZPFKDZPBOQQJ-MWLCHTKSSA-N 0 1 291.782 3.556 20 10 CHCDMN C[N@@H+](Cc1c[nH]c2c1cccc2F)Cc1ccccc1O ZINC001137059368 1124711262 /nfs/dbraw/zinc/71/12/62/1124711262.db2.gz YJQQXOOMTIPXID-UHFFFAOYSA-N 0 1 284.334 3.645 20 10 CHCDMN COCC(C)(C)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000873152655 1124742715 /nfs/dbraw/zinc/74/27/15/1124742715.db2.gz BFEXSGYXBCTQIK-UHFFFAOYSA-N 0 1 285.815 3.506 20 10 CHCDMN Cc1cccc(O)c1CNc1ccc(CN(C)C)c(F)c1 ZINC000876869661 1124987114 /nfs/dbraw/zinc/98/71/14/1124987114.db2.gz VYTIATAMKVHYAL-UHFFFAOYSA-N 0 1 288.366 3.513 20 10 CHCDMN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877530014 1125039909 /nfs/dbraw/zinc/03/99/09/1125039909.db2.gz BQPBPIZGRYPWEA-AWEZNQCLSA-N 0 1 292.329 3.649 20 10 CHCDMN Cc1cccc(CN[C@H](CF)c2ccc(F)cc2)c1O ZINC000877758977 1125074695 /nfs/dbraw/zinc/07/46/95/1125074695.db2.gz PEXCNGIKWGFVGZ-OAHLLOKOSA-N 0 1 277.314 3.640 20 10 CHCDMN CCN(Cc1ccoc1)Cc1ccc(N(C)C)c(F)c1 ZINC000129909867 1125353453 /nfs/dbraw/zinc/35/34/53/1125353453.db2.gz BBFPSQXVKRPSPN-UHFFFAOYSA-N 0 1 276.355 3.507 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1[O-] ZINC000131355801 1125388132 /nfs/dbraw/zinc/38/81/32/1125388132.db2.gz CHADITSYWFMZRV-CYBMUJFWSA-N 0 1 293.382 3.602 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1[O-] ZINC000131355801 1125388135 /nfs/dbraw/zinc/38/81/35/1125388135.db2.gz CHADITSYWFMZRV-CYBMUJFWSA-N 0 1 293.382 3.602 20 10 CHCDMN CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000897452641 1125418139 /nfs/dbraw/zinc/41/81/39/1125418139.db2.gz XUNFCNMUXJQCFD-UHFFFAOYSA-N 0 1 297.826 3.588 20 10 CHCDMN Cc1ccc(O)c(CN2C[C@H](C)OC[C@H]2c2ccccc2)c1 ZINC000245773341 1129224717 /nfs/dbraw/zinc/22/47/17/1129224717.db2.gz SFCNRSSYPWFHJT-YJBOKZPZSA-N 0 1 297.398 3.663 20 10 CHCDMN CCOc1cccc(C[N@H+]2CCC[C@H]2C2CCC2)c1O ZINC000092780979 1129407795 /nfs/dbraw/zinc/40/77/95/1129407795.db2.gz BXOMGDPRVFVJSN-HNNXBMFYSA-N 0 1 275.392 3.555 20 10 CHCDMN COc1ccc(CNCc2c(C)cccc2F)cc1C ZINC000742381585 1129473014 /nfs/dbraw/zinc/47/30/14/1129473014.db2.gz YFXZUGAGVRCYBK-UHFFFAOYSA-N 0 1 273.351 3.741 20 10 CHCDMN Cc1cccc(F)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000742381192 1129473141 /nfs/dbraw/zinc/47/31/41/1129473141.db2.gz RBBBUJLXTIQGAT-UHFFFAOYSA-N 0 1 279.742 3.783 20 10 CHCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)[C@H](C)C(C)C ZINC000742549993 1129487388 /nfs/dbraw/zinc/48/73/88/1129487388.db2.gz JWAVMOJGXPFTQW-CYBMUJFWSA-N 0 1 272.392 3.807 20 10 CHCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)[C@H](C)C(C)C ZINC000742549993 1129487389 /nfs/dbraw/zinc/48/73/89/1129487389.db2.gz JWAVMOJGXPFTQW-CYBMUJFWSA-N 0 1 272.392 3.807 20 10 CHCDMN C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000720911171 1129720791 /nfs/dbraw/zinc/72/07/91/1129720791.db2.gz HJMMOHRTANERMT-SECBINFHSA-N 0 1 273.298 3.617 20 10 CHCDMN CC1(C[NH2+]Cc2c([O-])cccc2Cl)CC(F)(F)C1 ZINC000720976493 1129731968 /nfs/dbraw/zinc/73/19/68/1129731968.db2.gz FTYVWBVWSOJGDV-UHFFFAOYSA-N 0 1 275.726 3.571 20 10 CHCDMN Cc1ccccc1C[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000768159967 1129836490 /nfs/dbraw/zinc/83/64/90/1129836490.db2.gz JRWMZBASAWJDAS-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1ccccc1C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000768159967 1129836494 /nfs/dbraw/zinc/83/64/94/1129836494.db2.gz JRWMZBASAWJDAS-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN CO[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(C)C ZINC000381772518 1129849388 /nfs/dbraw/zinc/84/93/88/1129849388.db2.gz JSJFABCDZQQAGY-GUYCJALGSA-N 0 1 287.403 3.867 20 10 CHCDMN [O-]c1cc(Br)ccc1C[NH2+]C1(C2CCC2)CC1 ZINC000691456326 1129858991 /nfs/dbraw/zinc/85/89/91/1129858991.db2.gz SMSSFPTVNYAFIE-UHFFFAOYSA-N 0 1 296.208 3.577 20 10 CHCDMN Cc1cc(Cl)nc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000800284995 1129864029 /nfs/dbraw/zinc/86/40/29/1129864029.db2.gz SCMGMBSWSKXAMT-UHFFFAOYSA-N 0 1 297.185 3.692 20 10 CHCDMN Oc1ccc(Cl)cc1CN1CCOC2(CCCCC2)C1 ZINC000769491762 1129913469 /nfs/dbraw/zinc/91/34/69/1129913469.db2.gz ASFKEPHAMXGFSQ-UHFFFAOYSA-N 0 1 295.810 3.581 20 10 CHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000769514326 1129914534 /nfs/dbraw/zinc/91/45/34/1129914534.db2.gz JEAFNGOINPGUTQ-SNVBAGLBSA-N 0 1 286.202 3.931 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000769506890 1129915173 /nfs/dbraw/zinc/91/51/73/1129915173.db2.gz XZASGVIFVQRJOO-AWEZNQCLSA-N 0 1 287.790 3.863 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000769506890 1129915176 /nfs/dbraw/zinc/91/51/76/1129915176.db2.gz XZASGVIFVQRJOO-AWEZNQCLSA-N 0 1 287.790 3.863 20 10 CHCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000771939265 1129997057 /nfs/dbraw/zinc/99/70/57/1129997057.db2.gz PCHQDBIQUGBRHK-OAHLLOKOSA-N 0 1 273.763 3.993 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000771939265 1129997061 /nfs/dbraw/zinc/99/70/61/1129997061.db2.gz PCHQDBIQUGBRHK-OAHLLOKOSA-N 0 1 273.763 3.993 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000771939265 1129997065 /nfs/dbraw/zinc/99/70/65/1129997065.db2.gz PCHQDBIQUGBRHK-OAHLLOKOSA-N 0 1 273.763 3.993 20 10 CHCDMN CCCC[N@@H+](Cc1ccn(C)c1)Cc1ccccc1O ZINC000802657605 1130026627 /nfs/dbraw/zinc/02/66/27/1130026627.db2.gz KHHGCNBNDPDVCQ-UHFFFAOYSA-N 0 1 272.392 3.533 20 10 CHCDMN CC[C@@H](COCC1CC1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000826868357 1130299104 /nfs/dbraw/zinc/29/91/04/1130299104.db2.gz ROMBYSSEGGQIOR-KRWDZBQOSA-N 0 1 299.414 3.840 20 10 CHCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792162447 1130435048 /nfs/dbraw/zinc/43/50/48/1130435048.db2.gz IYDGIJGANIIOJO-SECBINFHSA-N 0 1 259.752 3.661 20 10 CHCDMN COCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CC[C@@H](C)C1 ZINC000792192802 1130437808 /nfs/dbraw/zinc/43/78/08/1130437808.db2.gz NRWABFQIAKYHTC-OCCSQVGLSA-N 0 1 297.826 3.683 20 10 CHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c(O)cccc1Cl ZINC000793230034 1130531125 /nfs/dbraw/zinc/53/11/25/1130531125.db2.gz CNHVMBDPJMNNCI-PSASIEDQSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000793230034 1130531128 /nfs/dbraw/zinc/53/11/28/1130531128.db2.gz CNHVMBDPJMNNCI-PSASIEDQSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000793230034 1130531134 /nfs/dbraw/zinc/53/11/34/1130531134.db2.gz CNHVMBDPJMNNCI-PSASIEDQSA-N 0 1 293.716 3.818 20 10 CHCDMN CC[N@H+](Cc1cccc(Br)c1[O-])CC1CCC1 ZINC000793351882 1130549575 /nfs/dbraw/zinc/54/95/75/1130549575.db2.gz IFNVUHZSTGCHJM-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCCC34CC4)c2c1 ZINC001234518298 1130653041 /nfs/dbraw/zinc/65/30/41/1130653041.db2.gz GCWMKQSVHPBKQP-UHFFFAOYSA-N 0 1 283.371 3.682 20 10 CHCDMN C[C@@H]1CC(=O)CCN1Cc1cccc(-c2ccccc2)c1O ZINC001235000502 1130700255 /nfs/dbraw/zinc/70/02/55/1130700255.db2.gz JKLAHKYFYOACQB-CQSZACIVSA-N 0 1 295.382 3.613 20 10 CHCDMN C[N@@H+](Cc1cccc(-c2ccccc2)c1[O-])CC1CC1 ZINC001234992633 1130701102 /nfs/dbraw/zinc/70/11/02/1130701102.db2.gz PXGSSTLPAXXLTR-UHFFFAOYSA-N 0 1 267.372 3.901 20 10 CHCDMN C[N@H+](Cc1cccc(-c2ccccc2)c1[O-])CC1CC1 ZINC001234992633 1130701106 /nfs/dbraw/zinc/70/11/06/1130701106.db2.gz PXGSSTLPAXXLTR-UHFFFAOYSA-N 0 1 267.372 3.901 20 10 CHCDMN CC(C)(C)c1ccc(CN2CCc3ncccc3C2)c(O)c1 ZINC001235684731 1130768019 /nfs/dbraw/zinc/76/80/19/1130768019.db2.gz IXTSHLJJFXKTAA-UHFFFAOYSA-N 0 1 296.414 3.643 20 10 CHCDMN Nc1ccc(CN2CCC[C@H]2c2cc(F)ccc2F)cc1 ZINC001235714432 1130771398 /nfs/dbraw/zinc/77/13/98/1130771398.db2.gz LHEFHWCBUQIKDW-KRWDZBQOSA-N 0 1 288.341 3.884 20 10 CHCDMN Fc1cc(C2CC2)ccc1CNCc1ccc2c(c1)CCO2 ZINC000813781539 1130783740 /nfs/dbraw/zinc/78/37/40/1130783740.db2.gz QDNZUIUFKKBQJK-UHFFFAOYSA-N 0 1 297.373 3.928 20 10 CHCDMN C[C@@]12CC[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]1C2(F)F ZINC000814169646 1130838436 /nfs/dbraw/zinc/83/84/36/1130838436.db2.gz LKIIQUCVHXQLIT-QWHCGFSZSA-N 0 1 287.737 3.523 20 10 CHCDMN C[C@@]12CC[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]1C2(F)F ZINC000814169646 1130838444 /nfs/dbraw/zinc/83/84/44/1130838444.db2.gz LKIIQUCVHXQLIT-QWHCGFSZSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1ccccc1C[N@H+](CC[C@H]1CCOC1)C1CCCC1 ZINC000783565522 1130838807 /nfs/dbraw/zinc/83/88/07/1130838807.db2.gz BQGFBWVFXPDGBT-HNNXBMFYSA-N 0 1 289.419 3.563 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](CC[C@H]1CCOC1)C1CCCC1 ZINC000783565522 1130838812 /nfs/dbraw/zinc/83/88/12/1130838812.db2.gz BQGFBWVFXPDGBT-HNNXBMFYSA-N 0 1 289.419 3.563 20 10 CHCDMN CS[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C(C)(C)C ZINC000784626409 1130913143 /nfs/dbraw/zinc/91/31/43/1130913143.db2.gz SVHHEOUVAKSSJN-CYBMUJFWSA-N 0 1 287.856 3.913 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c(Cl)c1 ZINC001236800732 1131009408 /nfs/dbraw/zinc/00/94/08/1131009408.db2.gz AZPUYJHMRADJCG-GHMZBOCLSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)C[C@H]2C)c(Cl)c1 ZINC001236800732 1131009410 /nfs/dbraw/zinc/00/94/10/1131009410.db2.gz AZPUYJHMRADJCG-GHMZBOCLSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@H+](C)Cc2ccccc2)c(Cl)c1 ZINC001236801201 1131010654 /nfs/dbraw/zinc/01/06/54/1131010654.db2.gz BQEOYDLSKPQXCU-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN COc1cc([O-])c(C[N@@H+](C)Cc2ccccc2)c(Cl)c1 ZINC001236801201 1131010659 /nfs/dbraw/zinc/01/06/59/1131010659.db2.gz BQEOYDLSKPQXCU-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN CCC[N@H+](Cc1c(C)cc(OC)cc1[O-])[C@H](C)CC ZINC001236819525 1131014348 /nfs/dbraw/zinc/01/43/48/1131014348.db2.gz VZQYYSNGAJCQOO-CYBMUJFWSA-N 0 1 265.397 3.720 20 10 CHCDMN CCC[N@@H+](Cc1c(C)cc(OC)cc1[O-])[C@H](C)CC ZINC001236819525 1131014353 /nfs/dbraw/zinc/01/43/53/1131014353.db2.gz VZQYYSNGAJCQOO-CYBMUJFWSA-N 0 1 265.397 3.720 20 10 CHCDMN C[N@@H+](Cc1ccncc1)Cc1cc2ccccc2cc1O ZINC001236827997 1131015945 /nfs/dbraw/zinc/01/59/45/1131015945.db2.gz YUVIYGCDEMOTSU-UHFFFAOYSA-N 0 1 278.355 3.572 20 10 CHCDMN CC(C)C1([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000815647417 1131016053 /nfs/dbraw/zinc/01/60/53/1131016053.db2.gz JXQNQXGUWSBQQT-SNVBAGLBSA-N 0 1 298.224 3.994 20 10 CHCDMN CC(C)C1([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000815647790 1131016539 /nfs/dbraw/zinc/01/65/39/1131016539.db2.gz VCJBLASTDCFKON-JTQLQIEISA-N 0 1 298.224 3.994 20 10 CHCDMN COC[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236825644 1131016518 /nfs/dbraw/zinc/01/65/18/1131016518.db2.gz ATLJLOQLCSTXGC-KRWDZBQOSA-N 0 1 285.387 3.546 20 10 CHCDMN Oc1cc2ccccc2cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001236825668 1131017312 /nfs/dbraw/zinc/01/73/12/1131017312.db2.gz BEBNGDXKUISIFT-QFBILLFUSA-N 0 1 297.398 3.546 20 10 CHCDMN Oc1cc2ccccc2cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001236825669 1131017402 /nfs/dbraw/zinc/01/74/02/1131017402.db2.gz BEBNGDXKUISIFT-VQIMIIECSA-N 0 1 297.398 3.546 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000815651882 1131017849 /nfs/dbraw/zinc/01/78/49/1131017849.db2.gz HLCALNUGIDHDPS-OCCSQVGLSA-N 0 1 285.815 3.636 20 10 CHCDMN Cc1cccc(CN(C)Cc2ccccc2O)c1Cl ZINC001236859314 1131026254 /nfs/dbraw/zinc/02/62/54/1131026254.db2.gz SMFCALRKEDIBEB-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN Cc1nccc(N[C@@H](C)c2ccc(N(C)C)cc2)c1Cl ZINC000798397658 1131037428 /nfs/dbraw/zinc/03/74/28/1131037428.db2.gz DYCDCQTWUCHDLK-NSHDSACASA-N 0 1 289.810 3.704 20 10 CHCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC001237081828 1131047130 /nfs/dbraw/zinc/04/71/30/1131047130.db2.gz NHQXCEBKVREQDZ-VIFPVBQESA-N 0 1 292.181 3.881 20 10 CHCDMN C[N@H+](Cc1c([O-])ccc(F)c1Cl)C1CCCC1 ZINC001237125808 1131055532 /nfs/dbraw/zinc/05/55/32/1131055532.db2.gz FMMDXWJQSGDXGX-UHFFFAOYSA-N 0 1 257.736 3.559 20 10 CHCDMN C[N@@H+](Cc1c([O-])ccc(F)c1Cl)C1CCCC1 ZINC001237125808 1131055538 /nfs/dbraw/zinc/05/55/38/1131055538.db2.gz FMMDXWJQSGDXGX-UHFFFAOYSA-N 0 1 257.736 3.559 20 10 CHCDMN CC(C)[N@H+](Cc1c(O)ccc(F)c1Cl)CC1CC1 ZINC001237124248 1131055493 /nfs/dbraw/zinc/05/54/93/1131055493.db2.gz LCDGTGLNTJJEJC-UHFFFAOYSA-N 0 1 271.763 3.805 20 10 CHCDMN CC(C)[N@@H+](Cc1c([O-])ccc(F)c1Cl)CC1CC1 ZINC001237124248 1131055497 /nfs/dbraw/zinc/05/54/97/1131055497.db2.gz LCDGTGLNTJJEJC-UHFFFAOYSA-N 0 1 271.763 3.805 20 10 CHCDMN CC(C)[N@H+](Cc1c([O-])ccc(F)c1Cl)CC1CC1 ZINC001237124248 1131055503 /nfs/dbraw/zinc/05/55/03/1131055503.db2.gz LCDGTGLNTJJEJC-UHFFFAOYSA-N 0 1 271.763 3.805 20 10 CHCDMN C[N@@H+](Cc1c(O)ccc(F)c1Cl)C1CCCC1 ZINC001237125808 1131055525 /nfs/dbraw/zinc/05/55/25/1131055525.db2.gz FMMDXWJQSGDXGX-UHFFFAOYSA-N 0 1 257.736 3.559 20 10 CHCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C1CCCC1 ZINC000816483639 1131097677 /nfs/dbraw/zinc/09/76/77/1131097677.db2.gz ZKBAVGBLDUNGAB-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C1CCCC1 ZINC000816483639 1131097683 /nfs/dbraw/zinc/09/76/83/1131097683.db2.gz ZKBAVGBLDUNGAB-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN [O-]c1c(C[NH2+]Cc2cccs2)ccc2ccccc21 ZINC000816528959 1131103313 /nfs/dbraw/zinc/10/33/13/1131103313.db2.gz ZZQFSHHSCYSHQX-UHFFFAOYSA-N 0 1 269.369 3.897 20 10 CHCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCCCC1 ZINC000816536816 1131105739 /nfs/dbraw/zinc/10/57/39/1131105739.db2.gz KPHCLKSVPUYORH-OAHLLOKOSA-N 0 1 298.430 3.509 20 10 CHCDMN CCOC1CC(CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816589559 1131108623 /nfs/dbraw/zinc/10/86/23/1131108623.db2.gz BPGVKLOHGMTNGI-UHFFFAOYSA-N 0 1 299.414 3.840 20 10 CHCDMN CC1(C)C[NH+](Cc2ccc3ccccc3c2[O-])CC(C)(C)O1 ZINC000816586627 1131108661 /nfs/dbraw/zinc/10/86/61/1131108661.db2.gz NCAUAQGYHYPJQF-UHFFFAOYSA-N 0 1 299.414 3.935 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2CCCS2)ccc2ccccc21 ZINC000816556424 1131110045 /nfs/dbraw/zinc/11/00/45/1131110045.db2.gz IRQXKLRAURVRBA-AWEZNQCLSA-N 0 1 273.401 3.531 20 10 CHCDMN CCn1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816590891 1131110067 /nfs/dbraw/zinc/11/00/67/1131110067.db2.gz ODATYNXXJSMGQC-UHFFFAOYSA-N 0 1 296.773 3.638 20 10 CHCDMN Cc1cnc(CNCc2ccc3ccccc3c2O)s1 ZINC000816551696 1131110166 /nfs/dbraw/zinc/11/01/66/1131110166.db2.gz LKGGBPSAYJPGMY-UHFFFAOYSA-N 0 1 284.384 3.600 20 10 CHCDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H](C2CC2)O1 ZINC000816594519 1131110290 /nfs/dbraw/zinc/11/02/90/1131110290.db2.gz HBVIFPMINIQMRZ-UGSOOPFHSA-N 0 1 297.398 3.545 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H](C2CC2)O1 ZINC000816594519 1131110291 /nfs/dbraw/zinc/11/02/91/1131110291.db2.gz HBVIFPMINIQMRZ-UGSOOPFHSA-N 0 1 297.398 3.545 20 10 CHCDMN [O-]c1c(C[NH2+][C@@H]2CCC(F)(F)C2)ccc2ccccc21 ZINC000816557482 1131110910 /nfs/dbraw/zinc/11/09/10/1131110910.db2.gz RQMFLJRUDUSPPP-CYBMUJFWSA-N 0 1 277.314 3.823 20 10 CHCDMN COC[C@H]1CCCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816570749 1131112935 /nfs/dbraw/zinc/11/29/35/1131112935.db2.gz GMBHJGQHAXQOJJ-HNNXBMFYSA-N 0 1 299.414 3.794 20 10 CHCDMN COC[C@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816570749 1131112939 /nfs/dbraw/zinc/11/29/39/1131112939.db2.gz GMBHJGQHAXQOJJ-HNNXBMFYSA-N 0 1 299.414 3.794 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc2ccccc21 ZINC000816603923 1131114714 /nfs/dbraw/zinc/11/47/14/1131114714.db2.gz SQLMRJKNMKPITP-QZTJIDSGSA-N 0 1 297.398 3.689 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc2ccccc21 ZINC000816603923 1131114716 /nfs/dbraw/zinc/11/47/16/1131114716.db2.gz SQLMRJKNMKPITP-QZTJIDSGSA-N 0 1 297.398 3.689 20 10 CHCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CC1(C)C ZINC001237621967 1131118802 /nfs/dbraw/zinc/11/88/02/1131118802.db2.gz KBUFUJSESYJMGS-JTQLQIEISA-N 0 1 271.763 3.663 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001237616393 1131119798 /nfs/dbraw/zinc/11/97/98/1131119798.db2.gz CCGXGTGKFPJTSO-MNOVXSKESA-N 0 1 283.774 3.807 20 10 CHCDMN CN(Cc1cccc(Cl)c1O)Cc1c(F)cccc1F ZINC000816651324 1131120034 /nfs/dbraw/zinc/12/00/34/1131120034.db2.gz CUBYHQMXELQASP-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN C[N@H+](Cc1cccc(Cl)c1[O-])Cc1c(F)cccc1F ZINC000816651324 1131120036 /nfs/dbraw/zinc/12/00/36/1131120036.db2.gz CUBYHQMXELQASP-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])Cc1c(F)cccc1F ZINC000816651324 1131120038 /nfs/dbraw/zinc/12/00/38/1131120038.db2.gz CUBYHQMXELQASP-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN CC[N@@H+](Cc1ccccc1O)Cc1cc(OC)ccc1C ZINC001237711735 1131132618 /nfs/dbraw/zinc/13/26/18/1131132618.db2.gz UOOXQOXFSDOSFV-UHFFFAOYSA-N 0 1 285.387 3.731 20 10 CHCDMN Oc1c(Cl)cc(F)cc1CN1Cc2ccc(F)cc2C1 ZINC001237798547 1131141127 /nfs/dbraw/zinc/14/11/27/1131141127.db2.gz IYSLEHCPDVNKMM-UHFFFAOYSA-N 0 1 295.716 3.840 20 10 CHCDMN CCCCC[N@@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237948022 1131155558 /nfs/dbraw/zinc/15/55/58/1131155558.db2.gz YLBXDZGTUBXTAS-UHFFFAOYSA-N 0 1 259.752 3.807 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001137838905 1131421363 /nfs/dbraw/zinc/42/13/63/1131421363.db2.gz MFPBEUMDSZAVTL-CYBMUJFWSA-N 0 1 289.325 3.660 20 10 CHCDMN C[N@@H+](Cc1cccc(Cl)c1)Cc1c([O-])cccc1F ZINC001137837851 1131421638 /nfs/dbraw/zinc/42/16/38/1131421638.db2.gz XEYCYTVVRTTWFP-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN C[N@@H+](Cc1ccccc1O)Cc1ccc(O)c2ccccc12 ZINC001138062312 1131460463 /nfs/dbraw/zinc/46/04/63/1131460463.db2.gz HQIUHECPIZZRRK-UHFFFAOYSA-N 0 1 293.366 3.883 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000227372490 1131460689 /nfs/dbraw/zinc/46/06/89/1131460689.db2.gz WVZIHYXFSPNKBD-NQBHXWOUSA-N 0 1 251.345 3.761 20 10 CHCDMN C[C@]1(F)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000824472878 1131470490 /nfs/dbraw/zinc/47/04/90/1131470490.db2.gz ZYKHXDCEUSWZEA-KRWDZBQOSA-N 0 1 273.351 3.869 20 10 CHCDMN C[C@]1(F)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000824472878 1131470491 /nfs/dbraw/zinc/47/04/91/1131470491.db2.gz ZYKHXDCEUSWZEA-KRWDZBQOSA-N 0 1 273.351 3.869 20 10 CHCDMN C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1O ZINC000824716152 1131480531 /nfs/dbraw/zinc/48/05/31/1131480531.db2.gz SHSSECGJKNTKDH-ONGXEEELSA-N 0 1 291.288 3.694 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2cccnc2)cc1Cl ZINC000825072320 1131498088 /nfs/dbraw/zinc/49/80/88/1131498088.db2.gz YNVIQUJRXRQJEC-NSHDSACASA-N 0 1 276.767 3.600 20 10 CHCDMN Oc1c(Cl)cccc1CNc1ccc2c(n1)CCC2 ZINC000825124287 1131499784 /nfs/dbraw/zinc/49/97/84/1131499784.db2.gz LXNOHBKITSKAJT-UHFFFAOYSA-N 0 1 274.751 3.541 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1Cl ZINC000825502338 1131512925 /nfs/dbraw/zinc/51/29/25/1131512925.db2.gz WPPNXNWFSHXGFV-LBPRGKRZSA-N 0 1 290.794 3.942 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)c2cccnc2)cc1Cl ZINC000825502338 1131512926 /nfs/dbraw/zinc/51/29/26/1131512926.db2.gz WPPNXNWFSHXGFV-LBPRGKRZSA-N 0 1 290.794 3.942 20 10 CHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCCC2(CCCC2)C1 ZINC001139681257 1131627743 /nfs/dbraw/zinc/62/77/43/1131627743.db2.gz NOYROFAHZIARFV-UHFFFAOYSA-N 0 1 281.346 3.827 20 10 CHCDMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685705 1131629137 /nfs/dbraw/zinc/62/91/37/1131629137.db2.gz UBMZOLGSXROMGX-LLVKDONJSA-N 0 1 289.325 3.790 20 10 CHCDMN CC1(C)C[N@@H+](Cc2c(F)ccc(F)c2[O-])CCC1(F)F ZINC001139685716 1131629396 /nfs/dbraw/zinc/62/93/96/1131629396.db2.gz UULBQESDGCTPHI-UHFFFAOYSA-N 0 1 291.288 3.538 20 10 CHCDMN Cc1ccc(CN(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001139931031 1131650522 /nfs/dbraw/zinc/65/05/22/1131650522.db2.gz AQPOLDGVCMUIBE-UHFFFAOYSA-N 0 1 295.430 3.622 20 10 CHCDMN C[C@@H](CCC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056283 1131679117 /nfs/dbraw/zinc/67/91/17/1131679117.db2.gz SMDJEIDINBEURU-QMMMGPOBSA-N 0 1 281.705 3.866 20 10 CHCDMN COc1cccc([C@@H](C)Nc2cc3c(cn2)CCCC3)c1O ZINC000846172636 1131693996 /nfs/dbraw/zinc/69/39/96/1131693996.db2.gz ZPZOLGNGFATDKN-GFCCVEGCSA-N 0 1 298.386 3.848 20 10 CHCDMN CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000846200604 1131699505 /nfs/dbraw/zinc/69/95/05/1131699505.db2.gz GFOPLWHWELVLNN-PSOPSSQASA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@H]1Cc2ccccc2C[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140342075 1131703758 /nfs/dbraw/zinc/70/37/58/1131703758.db2.gz SQCVBMAVYAYUQD-LBPRGKRZSA-N 0 1 287.790 3.992 20 10 CHCDMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1c([O-])cccc1Cl ZINC001140342075 1131703760 /nfs/dbraw/zinc/70/37/60/1131703760.db2.gz SQCVBMAVYAYUQD-LBPRGKRZSA-N 0 1 287.790 3.992 20 10 CHCDMN Oc1cccc2c1[C@@H](NCc1c(F)cc(F)cc1F)CC2 ZINC000834810313 1131706044 /nfs/dbraw/zinc/70/60/44/1131706044.db2.gz BQMQEXPHEPYTAP-AWEZNQCLSA-N 0 1 293.288 3.587 20 10 CHCDMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cc(Cl)ccc1O ZINC000834892696 1131719125 /nfs/dbraw/zinc/71/91/25/1131719125.db2.gz CSHULWRKEPQQRS-GBIKHYSHSA-N 0 1 291.782 3.599 20 10 CHCDMN Cc1ccncc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834887299 1131719432 /nfs/dbraw/zinc/71/94/32/1131719432.db2.gz RVNBJVSKEKDGJB-LLVKDONJSA-N 0 1 276.767 3.600 20 10 CHCDMN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834912902 1131731708 /nfs/dbraw/zinc/73/17/08/1131731708.db2.gz NGQGOFIAVCBJST-PSOPSSQASA-N 0 1 283.799 3.654 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140462207 1131749554 /nfs/dbraw/zinc/74/95/54/1131749554.db2.gz AKDOIHLNVAPKHL-RYUDHWBXSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140462207 1131749560 /nfs/dbraw/zinc/74/95/60/1131749560.db2.gz AKDOIHLNVAPKHL-RYUDHWBXSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(C(F)F)CC1 ZINC001140465435 1131750366 /nfs/dbraw/zinc/75/03/66/1131750366.db2.gz NFPHRGVNZSKBLE-UHFFFAOYSA-N 0 1 275.726 3.523 20 10 CHCDMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140466428 1131753049 /nfs/dbraw/zinc/75/30/49/1131753049.db2.gz FJMAXEXBNQVTNS-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466428 1131753054 /nfs/dbraw/zinc/75/30/54/1131753054.db2.gz FJMAXEXBNQVTNS-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466428 1131753061 /nfs/dbraw/zinc/75/30/61/1131753061.db2.gz FJMAXEXBNQVTNS-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN Cc1cccc(CC[N@H+](C)Cc2c([O-])cc(F)cc2F)c1 ZINC001140583237 1131807322 /nfs/dbraw/zinc/80/73/22/1131807322.db2.gz AOVGCMVNJBCTMG-UHFFFAOYSA-N 0 1 291.341 3.653 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c([O-])cccc1Cl ZINC000128029703 1131831972 /nfs/dbraw/zinc/83/19/72/1131831972.db2.gz XCRSLXNLSXSLSQ-PHIMTYICSA-N 0 1 253.773 3.809 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c([O-])cccc1Cl ZINC000128029703 1131831978 /nfs/dbraw/zinc/83/19/78/1131831978.db2.gz XCRSLXNLSXSLSQ-PHIMTYICSA-N 0 1 253.773 3.809 20 10 CHCDMN Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001140953726 1131971537 /nfs/dbraw/zinc/97/15/37/1131971537.db2.gz FEMHWOKQCIHIBK-HUUCEWRRSA-N 0 1 259.393 3.713 20 10 CHCDMN CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(C)cc1O ZINC001140954775 1131971786 /nfs/dbraw/zinc/97/17/86/1131971786.db2.gz YTVVEDMXAGCTRZ-UHFFFAOYSA-N 0 1 299.414 3.774 20 10 CHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(O)c1 ZINC000037151539 1132002039 /nfs/dbraw/zinc/00/20/39/1132002039.db2.gz BDPNIRDQMIMVAU-SNVBAGLBSA-N 0 1 277.751 3.602 20 10 CHCDMN CC[N@@H+](Cc1ccccc1O)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807594 1132103937 /nfs/dbraw/zinc/10/39/37/1132103937.db2.gz VIJRBWORBAVXRA-OAHLLOKOSA-N 0 1 285.362 3.521 20 10 CHCDMN COC[C@H]1CC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000840083746 1132248270 /nfs/dbraw/zinc/24/82/70/1132248270.db2.gz RBQLJXZONJWDLC-CYBMUJFWSA-N 0 1 297.354 3.512 20 10 CHCDMN COC[C@H]1CC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000840083746 1132248278 /nfs/dbraw/zinc/24/82/78/1132248278.db2.gz RBQLJXZONJWDLC-CYBMUJFWSA-N 0 1 297.354 3.512 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000840820046 1132290625 /nfs/dbraw/zinc/29/06/25/1132290625.db2.gz IYBBVCMIGKUHBJ-DJBIQUGXSA-N 0 1 265.784 3.885 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cc(Cl)ccc1[O-] ZINC000840815781 1132290689 /nfs/dbraw/zinc/29/06/89/1132290689.db2.gz HOVLWYWVEAXIDK-GXFFZTMASA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@@H](N[C@@H](C)c1ccn(C)n1)c1cc(Cl)ccc1O ZINC000840815781 1132290691 /nfs/dbraw/zinc/29/06/91/1132290691.db2.gz HOVLWYWVEAXIDK-GXFFZTMASA-N 0 1 293.798 3.581 20 10 CHCDMN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C12CCC2 ZINC000840807282 1132290730 /nfs/dbraw/zinc/29/07/30/1132290730.db2.gz SCCZATCKSRTBJJ-COLVAYQJSA-N 0 1 295.810 3.654 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000840893277 1132305447 /nfs/dbraw/zinc/30/54/47/1132305447.db2.gz FSDZKGRFEWRTDQ-LNSITVRQSA-N 0 1 297.826 3.637 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000840908578 1132308245 /nfs/dbraw/zinc/30/82/45/1132308245.db2.gz FSXXGZHRMYSGGC-GFCCVEGCSA-N 0 1 295.810 3.545 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000840908546 1132308259 /nfs/dbraw/zinc/30/82/59/1132308259.db2.gz FBAUYJKBSIGTLB-VIFPVBQESA-N 0 1 275.726 3.631 20 10 CHCDMN CS[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840906185 1132309045 /nfs/dbraw/zinc/30/90/45/1132309045.db2.gz VUBZQPUFMKRIKF-WDEREUQCSA-N 0 1 285.840 3.728 20 10 CHCDMN Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000840947971 1132311087 /nfs/dbraw/zinc/31/10/87/1132311087.db2.gz IFUACPRPAOSYGW-GOSISDBHSA-N 0 1 298.434 3.511 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c(Cl)c1 ZINC000840939982 1132311261 /nfs/dbraw/zinc/31/12/61/1132311261.db2.gz STBZBFGGYBEARX-OLZOCXBDSA-N 0 1 297.826 3.649 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCC2CCOCC2)c(Cl)c1 ZINC000840948164 1132311717 /nfs/dbraw/zinc/31/17/17/1132311717.db2.gz ACIBUAQUXILKED-UHFFFAOYSA-N 0 1 297.826 3.650 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCO[C@@H](C3CCC3)C2)ccc2ccccc21 ZINC000840954157 1132313035 /nfs/dbraw/zinc/31/30/35/1132313035.db2.gz HTRKNQITUKOBMV-GOSISDBHSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CCO[C@@H](C3CCC3)C2)ccc2ccccc21 ZINC000840954157 1132313041 /nfs/dbraw/zinc/31/30/41/1132313041.db2.gz HTRKNQITUKOBMV-GOSISDBHSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+](CC1CC1)C1CC1 ZINC001231589415 1132317491 /nfs/dbraw/zinc/31/74/91/1132317491.db2.gz HXQOGJFVYOMITL-UHFFFAOYSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+](CC1CC1)C1CC1 ZINC001231589415 1132317497 /nfs/dbraw/zinc/31/74/97/1132317497.db2.gz HXQOGJFVYOMITL-UHFFFAOYSA-N 0 1 267.372 3.920 20 10 CHCDMN Cc1cc(O)c(CN2CCC[C@](C)(F)C2)cc1Cl ZINC001231867379 1132380753 /nfs/dbraw/zinc/38/07/53/1132380753.db2.gz JVZQMAKZWOXEEY-AWEZNQCLSA-N 0 1 271.763 3.678 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(C)C)cc1Cl ZINC001231870078 1132385417 /nfs/dbraw/zinc/38/54/17/1132385417.db2.gz IMELNVMFVWQJHT-CQSZACIVSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C(C)C)cc1Cl ZINC001231870078 1132385422 /nfs/dbraw/zinc/38/54/22/1132385422.db2.gz IMELNVMFVWQJHT-CQSZACIVSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C(C)C)cc1Cl ZINC001231870078 1132385429 /nfs/dbraw/zinc/38/54/29/1132385429.db2.gz IMELNVMFVWQJHT-CQSZACIVSA-N 0 1 267.800 3.974 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841743133 1132387817 /nfs/dbraw/zinc/38/78/17/1132387817.db2.gz CTYYDKACWIMJOF-MNOVXSKESA-N 0 1 276.767 3.852 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@@]1(C)O ZINC001231879354 1132388879 /nfs/dbraw/zinc/38/88/79/1132388879.db2.gz CJPHJIUJKVJYNF-IFXJQAMLSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@@]1(C)O ZINC001231879354 1132388888 /nfs/dbraw/zinc/38/88/88/1132388888.db2.gz CJPHJIUJKVJYNF-IFXJQAMLSA-N 0 1 299.414 3.528 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@H]1CCCO1 ZINC000841751115 1132389786 /nfs/dbraw/zinc/38/97/86/1132389786.db2.gz KSSUWMXDEQKTJG-RIEGTJTDSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C2(CC2)C1 ZINC001231883710 1132390637 /nfs/dbraw/zinc/39/06/37/1132390637.db2.gz SYIVXYZOUKZYAI-CYBMUJFWSA-N 0 1 267.372 3.920 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C2(CC2)C1 ZINC001231883710 1132390646 /nfs/dbraw/zinc/39/06/46/1132390646.db2.gz SYIVXYZOUKZYAI-CYBMUJFWSA-N 0 1 267.372 3.920 20 10 CHCDMN [O-]c1c(C[NH+]2CC3(C2)CC(F)(F)C3)ccc2ccccc21 ZINC001231878522 1132391195 /nfs/dbraw/zinc/39/11/95/1132391195.db2.gz LZJNRBGUZYXTQW-UHFFFAOYSA-N 0 1 289.325 3.777 20 10 CHCDMN CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841759273 1132395134 /nfs/dbraw/zinc/39/51/34/1132395134.db2.gz XZILBEABJUFLTG-SECBINFHSA-N 0 1 294.782 3.755 20 10 CHCDMN CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756752 1132395288 /nfs/dbraw/zinc/39/52/88/1132395288.db2.gz JXWMBCWPLPBNOC-MNOVXSKESA-N 0 1 293.798 3.674 20 10 CHCDMN CO[C@@](C)(C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841758564 1132395337 /nfs/dbraw/zinc/39/53/37/1132395337.db2.gz SVJUWWIZTTWIFG-BMIGLBTASA-N 0 1 283.799 3.511 20 10 CHCDMN CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841764540 1132396704 /nfs/dbraw/zinc/39/67/04/1132396704.db2.gz QDHGGQJZMNMKGK-LLVKDONJSA-N 0 1 293.798 3.674 20 10 CHCDMN CC(C)n1ccc(CN[C@H](C)c2ccc(Cl)cc2O)n1 ZINC000841764540 1132396711 /nfs/dbraw/zinc/39/67/11/1132396711.db2.gz QDHGGQJZMNMKGK-LLVKDONJSA-N 0 1 293.798 3.674 20 10 CHCDMN CO[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])CC(C)C ZINC000841888010 1132399839 /nfs/dbraw/zinc/39/98/39/1132399839.db2.gz BUACWAWSXSRLJV-MRXNPFEDSA-N 0 1 287.403 3.696 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@H]1C ZINC001142508941 1132403539 /nfs/dbraw/zinc/40/35/39/1132403539.db2.gz QMRLKQCXAANDQX-GHMZBOCLSA-N 0 1 269.335 3.538 20 10 CHCDMN COc1cc([O-])c(C[NH+]2[C@H](C)CCC[C@H]2C)cc1Cl ZINC001232266049 1132446287 /nfs/dbraw/zinc/44/62/87/1132446287.db2.gz QBVHTKFLJPCYBR-GHMZBOCLSA-N 0 1 283.799 3.817 20 10 CHCDMN COc1cc([O-])c(C[NH+]2CC3CCC(CC3)C2)cc1Cl ZINC001232269317 1132446956 /nfs/dbraw/zinc/44/69/56/1132446956.db2.gz VKQGNLISETUAHG-UHFFFAOYSA-N 0 1 295.810 3.676 20 10 CHCDMN COc1cc(O)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1Cl ZINC001232269505 1132447752 /nfs/dbraw/zinc/44/77/52/1132447752.db2.gz CKAHMLJZWUKLAX-BXUZGUMPSA-N 0 1 295.810 3.819 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1Cl ZINC001232269505 1132447754 /nfs/dbraw/zinc/44/77/54/1132447754.db2.gz CKAHMLJZWUKLAX-BXUZGUMPSA-N 0 1 295.810 3.819 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1Cl ZINC001232269505 1132447757 /nfs/dbraw/zinc/44/77/57/1132447757.db2.gz CKAHMLJZWUKLAX-BXUZGUMPSA-N 0 1 295.810 3.819 20 10 CHCDMN Fc1ccccc1C1(NCc2ccc3c(c2)CCO3)CCC1 ZINC000842746042 1132458200 /nfs/dbraw/zinc/45/82/00/1132458200.db2.gz ARCJGBQTRUNYMW-UHFFFAOYSA-N 0 1 297.373 3.930 20 10 CHCDMN COCC1(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000842890676 1132473469 /nfs/dbraw/zinc/47/34/69/1132473469.db2.gz JLDFUNOWIYVDRV-NSHDSACASA-N 0 1 283.799 3.513 20 10 CHCDMN CC(C)[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143112627 1132503469 /nfs/dbraw/zinc/50/34/69/1132503469.db2.gz XTGZNLMUEIKJBL-MRXNPFEDSA-N 0 1 291.435 3.547 20 10 CHCDMN C[N@@H+](Cc1ccc2ncsc2c1)Cc1ccccc1O ZINC001232743300 1132513486 /nfs/dbraw/zinc/51/34/86/1132513486.db2.gz QUIJXGXAIBKYPQ-UHFFFAOYSA-N 0 1 284.384 3.634 20 10 CHCDMN Oc1c(CN2CCCC[C@H]2C(F)(F)F)ccc(F)c1F ZINC001233077340 1132569487 /nfs/dbraw/zinc/56/94/87/1132569487.db2.gz JYOLWIFKQWHTSJ-JTQLQIEISA-N 0 1 295.251 3.587 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)C[C@@H]1C ZINC001233332631 1132600847 /nfs/dbraw/zinc/60/08/47/1132600847.db2.gz RSAOWUKDJHBAQJ-MNOVXSKESA-N 0 1 269.335 3.538 20 10 CHCDMN Cc1ccc2c(c1)CC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233336445 1132603260 /nfs/dbraw/zinc/60/32/60/1132603260.db2.gz LTLQULPGALHXKA-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCCc2ccccc2C1 ZINC001233334960 1132603683 /nfs/dbraw/zinc/60/36/83/1132603683.db2.gz BFBJBPIYZUCBDL-UHFFFAOYSA-N 0 1 289.325 3.619 20 10 CHCDMN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C1CC(F)(F)C1 ZINC001233415811 1132619126 /nfs/dbraw/zinc/61/91/26/1132619126.db2.gz JAMARDILGRNMGP-UHFFFAOYSA-N 0 1 295.251 3.641 20 10 CHCDMN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C1CCCC1 ZINC001233418763 1132621236 /nfs/dbraw/zinc/62/12/36/1132621236.db2.gz VHIXICDNVPLVRU-UHFFFAOYSA-N 0 1 273.298 3.785 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C2(CC2)C1 ZINC001233419116 1132621605 /nfs/dbraw/zinc/62/16/05/1132621605.db2.gz KACHBMOLIKNMGZ-JTQLQIEISA-N 0 1 285.309 3.785 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001233451509 1132624898 /nfs/dbraw/zinc/62/48/98/1132624898.db2.gz NBXQVYYKSBLXFN-GHMZBOCLSA-N 0 1 285.309 3.643 20 10 CHCDMN CCC[N@H+](CC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233726330 1132670601 /nfs/dbraw/zinc/67/06/01/1132670601.db2.gz CFBLTCAJRFUNCB-UHFFFAOYSA-N 0 1 277.286 3.523 20 10 CHCDMN CCC[N@@H+](CC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233726330 1132670602 /nfs/dbraw/zinc/67/06/02/1132670602.db2.gz CFBLTCAJRFUNCB-UHFFFAOYSA-N 0 1 277.286 3.523 20 10 CHCDMN C[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727135 1132671533 /nfs/dbraw/zinc/67/15/33/1132671533.db2.gz JCGGTAQEDBPQIP-JTQLQIEISA-N 0 1 289.297 3.665 20 10 CHCDMN C[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727135 1132671537 /nfs/dbraw/zinc/67/15/37/1132671537.db2.gz JCGGTAQEDBPQIP-JTQLQIEISA-N 0 1 289.297 3.665 20 10 CHCDMN COc1ccc2c(c1)nccc2Nc1ccc2c(c1)CCN2 ZINC001159522387 1132858339 /nfs/dbraw/zinc/85/83/39/1132858339.db2.gz JNSKNQJVKZZYLT-UHFFFAOYSA-N 0 1 291.354 3.955 20 10 CHCDMN Cc1cccc(CNc2ccc3c(n2)CCCC3)c1O ZINC001160769342 1132980802 /nfs/dbraw/zinc/98/08/02/1132980802.db2.gz LFUNQZPZNAUCKP-UHFFFAOYSA-N 0 1 268.360 3.587 20 10 CHCDMN CN(C)c1ccc(CN2CCOCC2(C)C)c2ccccc21 ZINC001204243297 1133424752 /nfs/dbraw/zinc/42/47/52/1133424752.db2.gz VNIPTBPYBBRJQI-UHFFFAOYSA-N 0 1 298.430 3.517 20 10 CHCDMN CC(C)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001204299158 1133432469 /nfs/dbraw/zinc/43/24/69/1133432469.db2.gz QOLJPJHFZIGWRV-GFCCVEGCSA-N 0 1 283.362 3.929 20 10 CHCDMN CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C ZINC001205470631 1133580083 /nfs/dbraw/zinc/58/00/83/1133580083.db2.gz BEHYKYJAGMWUDP-GHMZBOCLSA-N 0 1 298.224 3.775 20 10 CHCDMN CC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C ZINC001205470631 1133580086 /nfs/dbraw/zinc/58/00/86/1133580086.db2.gz BEHYKYJAGMWUDP-GHMZBOCLSA-N 0 1 298.224 3.775 20 10 CHCDMN CC(C)C[C@]1(C)CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001205907542 1133628527 /nfs/dbraw/zinc/62/85/27/1133628527.db2.gz JIRVPALTTRJGTP-INIZCTEOSA-N 0 1 265.372 3.932 20 10 CHCDMN CCC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCCC1 ZINC001206248532 1133675700 /nfs/dbraw/zinc/67/57/00/1133675700.db2.gz YNHYEDSIEGWXDS-OAHLLOKOSA-N 0 1 265.372 3.980 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1Cl ZINC001206284812 1133682566 /nfs/dbraw/zinc/68/25/66/1133682566.db2.gz DCLGWSZVJYXJJS-CYBMUJFWSA-N 0 1 279.811 3.976 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1Cl ZINC001206284812 1133682567 /nfs/dbraw/zinc/68/25/67/1133682567.db2.gz DCLGWSZVJYXJJS-CYBMUJFWSA-N 0 1 279.811 3.976 20 10 CHCDMN COc1ccc2oc(CN3Cc4cccc(O)c4C3)cc2c1 ZINC001207242761 1133782852 /nfs/dbraw/zinc/78/28/52/1133782852.db2.gz GIMUXRHLKMXCLX-UHFFFAOYSA-N 0 1 295.338 3.663 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC001207723286 1133842031 /nfs/dbraw/zinc/84/20/31/1133842031.db2.gz GMYASLFEXOUWIJ-OAHLLOKOSA-N 0 1 291.753 3.962 20 10 CHCDMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cccc(Br)c1[O-] ZINC000136819003 1134413543 /nfs/dbraw/zinc/41/35/43/1134413543.db2.gz UTPMLUXQIYZMQH-ZYHUDNBSSA-N 0 1 298.224 3.918 20 10 CHCDMN Cc1noc(C)c1[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000316720410 1135169324 /nfs/dbraw/zinc/16/93/24/1135169324.db2.gz TXHPRQDBPSUDHL-LBPRGKRZSA-N 0 1 299.418 3.525 20 10 CHCDMN COc1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000019877864 170906788 /nfs/dbraw/zinc/90/67/88/170906788.db2.gz KCLUUKVXQYJONR-UHFFFAOYSA-N 0 1 299.157 3.715 20 10 CHCDMN C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc2ccccc2c1[O-] ZINC000020125768 171008885 /nfs/dbraw/zinc/00/88/85/171008885.db2.gz QVXLRLOZWGGLIP-ZDUSSCGKSA-N 0 1 286.419 3.536 20 10 CHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1F ZINC000020146054 171031747 /nfs/dbraw/zinc/03/17/47/171031747.db2.gz ACLWMVQLGIVFGF-ZDUSSCGKSA-N 0 1 272.367 3.743 20 10 CHCDMN C[C@@H](NCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000037211957 260074568 /nfs/dbraw/zinc/07/45/68/260074568.db2.gz YKDIFDVQSBLESE-CYBMUJFWSA-N 0 1 272.367 3.743 20 10 CHCDMN CC[C@](C)(NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000152630454 261066818 /nfs/dbraw/zinc/06/68/18/261066818.db2.gz KKIKAFGATIFTLT-INIZCTEOSA-N 0 1 289.448 3.624 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000157884668 261154561 /nfs/dbraw/zinc/15/45/61/261154561.db2.gz YIJYIBHAKFQSRF-HICWGWBUSA-N 0 1 295.810 3.654 20 10 CHCDMN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185438886 262054612 /nfs/dbraw/zinc/05/46/12/262054612.db2.gz DDRSNLBTGONYTA-GDZNZVCISA-N 0 1 287.403 3.603 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000185771757 262069673 /nfs/dbraw/zinc/06/96/73/262069673.db2.gz AASAGWINFRAWIS-UOJODKQESA-N 0 1 295.810 3.654 20 10 CHCDMN C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc2ccccc2c1[O-] ZINC000185609049 262306267 /nfs/dbraw/zinc/30/62/67/262306267.db2.gz GCPGBXWYXIRDIB-CYBMUJFWSA-N 0 1 287.403 3.605 20 10 CHCDMN C[C@@H]([NH2+]CCCCCCO)c1ccc2ccccc2c1[O-] ZINC000186231341 262312233 /nfs/dbraw/zinc/31/22/33/262312233.db2.gz SCVUYGCUTLIWEY-CQSZACIVSA-N 0 1 287.403 3.749 20 10 CHCDMN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000527925215 330296561 /nfs/dbraw/zinc/29/65/61/330296561.db2.gz IJEZJULSIRSTED-VXGBXAGGSA-N 0 1 283.799 3.513 20 10 CHCDMN CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000230664220 333320057 /nfs/dbraw/zinc/32/00/57/333320057.db2.gz SVLDXMFOWJHGCX-GUYCJALGSA-N 0 1 287.403 3.603 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@H]1CCOC1 ZINC000252814062 334394494 /nfs/dbraw/zinc/39/44/94/334394494.db2.gz SJFWPODATBDRFA-IPYPFGDCSA-N 0 1 285.387 3.621 20 10 CHCDMN CC[C@H](N[C@H](C)c1nnc(C)s1)c1ccc(C)cc1O ZINC000280126272 522745235 /nfs/dbraw/zinc/74/52/35/522745235.db2.gz ORGKINCXGNHVPP-MFKMUULPSA-N 0 1 291.420 3.662 20 10 CHCDMN COc1ccc(CN[C@@H](C)c2ccccc2OC)cc1C ZINC000035052663 524083842 /nfs/dbraw/zinc/08/38/42/524083842.db2.gz IGDFBUBUPAHVJY-AWEZNQCLSA-N 0 1 285.387 3.863 20 10 CHCDMN COc1ccc(CN[C@H](C)c2ccc(C)o2)cc1C ZINC000035052689 524089049 /nfs/dbraw/zinc/08/90/49/524089049.db2.gz WROIFMJYSSHVKE-CYBMUJFWSA-N 0 1 259.349 3.756 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCC1(F)F ZINC000291631134 524624417 /nfs/dbraw/zinc/62/44/17/524624417.db2.gz SIPKALIIXKTHMZ-VIFPVBQESA-N 0 1 275.726 3.523 20 10 CHCDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)on1 ZINC000125494856 524765774 /nfs/dbraw/zinc/76/57/74/524765774.db2.gz AXGVQLMRUDQUCM-HNNXBMFYSA-N 0 1 299.418 3.824 20 10 CHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000037260258 525446172 /nfs/dbraw/zinc/44/61/72/525446172.db2.gz DFPUUASHODMLOD-AWEZNQCLSA-N 0 1 270.376 3.731 20 10 CHCDMN CSCCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000069434184 525481120 /nfs/dbraw/zinc/48/11/20/525481120.db2.gz MGRZXUYJXNSZNG-LBPRGKRZSA-N 0 1 275.417 3.949 20 10 CHCDMN C[C@H](Nc1cc(C2CC2)cc[nH+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290192034 525642302 /nfs/dbraw/zinc/64/23/02/525642302.db2.gz OJTKJIAGUWUDBM-JTQLQIEISA-N 0 1 299.330 3.746 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1C ZINC000251608594 1125469406 /nfs/dbraw/zinc/46/94/06/1125469406.db2.gz BZRFDNOIEJTVHA-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1c([O-])cccc1Br ZINC000707138798 1118642906 /nfs/dbraw/zinc/64/29/06/1118642906.db2.gz HODGWVMYVMZYHB-MNOVXSKESA-N 0 1 298.224 3.918 20 10 CHCDMN CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Cl)ccc1[O-] ZINC000775503166 1122631503 /nfs/dbraw/zinc/63/15/03/1122631503.db2.gz CTMBRQHLBZTILS-HIFRSBDPSA-N 0 1 283.799 3.513 20 10 CHCDMN CCC(CC)[C@H](O)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503157 1122631634 /nfs/dbraw/zinc/63/16/34/1122631634.db2.gz CTLRWNNUFFIVTQ-GDBMZVCRSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@H]([NH2+]CC1(CCOC)CC1)c1cc(Cl)ccc1[O-] ZINC000775521952 1122638784 /nfs/dbraw/zinc/63/87/84/1122638784.db2.gz GDRMEKUHSCMOLR-AWEZNQCLSA-N 0 1 297.826 3.903 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(Cl)cc1[O-] ZINC000850534044 1123286086 /nfs/dbraw/zinc/28/60/86/1123286086.db2.gz FSZRHRKZCGTOOB-WZRBSPASSA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1cc(O)c(CN2CC(CC(F)(F)F)C2)c(Cl)c1 ZINC000840953728 1132313094 /nfs/dbraw/zinc/31/30/94/1132313094.db2.gz XPOONCZZCUCIBP-UHFFFAOYSA-N 0 1 293.716 3.738 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001231910663 1132399714 /nfs/dbraw/zinc/39/97/14/1132399714.db2.gz PVKIDHUHTUYLHW-VXGBXAGGSA-N 0 1 265.784 3.668 20 10 CHCDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC001233076681 1132569578 /nfs/dbraw/zinc/56/95/78/1132569578.db2.gz SQXYQDRLJSMYHR-UHFFFAOYSA-N 0 1 291.288 3.538 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136705724 1125531397 /nfs/dbraw/zinc/53/13/97/1125531397.db2.gz TUWQPIMQANOEEZ-CQSZACIVSA-N 0 1 295.810 3.627 20 10 CHCDMN C[N@H+](CCC1CCOCC1)Cc1c([O-])ccc2ccccc21 ZINC000121174647 1125557373 /nfs/dbraw/zinc/55/73/73/1125557373.db2.gz KQILDMWETRNLPT-UHFFFAOYSA-N 0 1 299.414 3.794 20 10 CHCDMN C[N@@H+](CCC1CCOCC1)Cc1c([O-])ccc2ccccc21 ZINC000121174647 1125557377 /nfs/dbraw/zinc/55/73/77/1125557377.db2.gz KQILDMWETRNLPT-UHFFFAOYSA-N 0 1 299.414 3.794 20 10 CHCDMN CN1Cc2ccc(NCc3c(O)cccc3Cl)cc2C1 ZINC000121283429 1125559530 /nfs/dbraw/zinc/55/95/30/1125559530.db2.gz YUFORRUDGFORGZ-UHFFFAOYSA-N 0 1 288.778 3.603 20 10 CHCDMN CC(C)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000135649057 1125594399 /nfs/dbraw/zinc/59/43/99/1125594399.db2.gz MBKDKCHDSNTVPA-LLVKDONJSA-N 0 1 253.773 3.524 20 10 CHCDMN CC(C)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000135649057 1125594407 /nfs/dbraw/zinc/59/44/07/1125594407.db2.gz MBKDKCHDSNTVPA-LLVKDONJSA-N 0 1 253.773 3.524 20 10 CHCDMN CC(C)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000135649057 1125594411 /nfs/dbraw/zinc/59/44/11/1125594411.db2.gz MBKDKCHDSNTVPA-LLVKDONJSA-N 0 1 253.773 3.524 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cc[nH]c(=O)c1 ZINC000841757262 1125596624 /nfs/dbraw/zinc/59/66/24/1125596624.db2.gz MWEJKWMZYRUSLJ-ZJUUUORDSA-N 0 1 292.766 3.558 20 10 CHCDMN C[C@H](NCc1cnc(Cl)s1)c1ccc(N(C)C)cc1 ZINC000718187617 1129257979 /nfs/dbraw/zinc/25/79/79/1129257979.db2.gz PHWBABIROVPZBS-JTQLQIEISA-N 0 1 295.839 3.713 20 10 CHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCC2(CC2)C1 ZINC000792174042 1130435537 /nfs/dbraw/zinc/43/55/37/1130435537.db2.gz DWXHWQYVHYTMPU-UHFFFAOYSA-N 0 1 269.747 3.561 20 10 CHCDMN C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180179025 1126840402 /nfs/dbraw/zinc/84/04/02/1126840402.db2.gz XZBWMMXRWDFONP-LLVKDONJSA-N 0 1 291.778 3.944 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271436406 1127081501 /nfs/dbraw/zinc/08/15/01/1127081501.db2.gz BQFCUQXAGVXDIE-CXAGYDPISA-N 0 1 298.434 3.594 20 10 CHCDMN COc1cc([O-])c(C[N@H+](C)CC2CCCC2)c(Cl)c1 ZINC001236803354 1131012850 /nfs/dbraw/zinc/01/28/50/1131012850.db2.gz MLOQNFVKARBMRR-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@@H+](C)CC2CCCC2)c(Cl)c1 ZINC001236803354 1131012855 /nfs/dbraw/zinc/01/28/55/1131012855.db2.gz MLOQNFVKARBMRR-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN CC[C@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000912854403 1127114613 /nfs/dbraw/zinc/11/46/13/1127114613.db2.gz ZNGAEUCFVNBMAC-HNNXBMFYSA-N 0 1 291.435 3.609 20 10 CHCDMN C[C@@]1(F)CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121164 1131054053 /nfs/dbraw/zinc/05/40/53/1131054053.db2.gz KLIURFUTRFTBBC-CQSZACIVSA-N 0 1 289.753 3.899 20 10 CHCDMN C[C@@]1(F)CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121164 1131054060 /nfs/dbraw/zinc/05/40/60/1131054060.db2.gz 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1131055729 /nfs/dbraw/zinc/05/57/29/1131055729.db2.gz HAJKRWCAUWTSTJ-SECBINFHSA-N 0 1 271.763 3.663 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001237616521 1131118983 /nfs/dbraw/zinc/11/89/83/1131118983.db2.gz FSHUHPCIBPBAHS-LLVKDONJSA-N 0 1 275.726 3.509 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000707133860 1127207455 /nfs/dbraw/zinc/20/74/55/1127207455.db2.gz FNRZWGFLAXCTAJ-SNVBAGLBSA-N 0 1 284.197 3.529 20 10 CHCDMN CC[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707133860 1127207457 /nfs/dbraw/zinc/20/74/57/1127207457.db2.gz FNRZWGFLAXCTAJ-SNVBAGLBSA-N 0 1 284.197 3.529 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707133860 1127207460 /nfs/dbraw/zinc/20/74/60/1127207460.db2.gz FNRZWGFLAXCTAJ-SNVBAGLBSA-N 0 1 284.197 3.529 20 10 CHCDMN Cc1cc(O)c(CN[C@H](C)c2c(F)cncc2F)cc1C ZINC000285416391 1127226555 /nfs/dbraw/zinc/22/65/55/1127226555.db2.gz GETVSPWHZKDUHB-LLVKDONJSA-N 0 1 292.329 3.533 20 10 CHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000226563144 1127410954 /nfs/dbraw/zinc/41/09/54/1127410954.db2.gz OSZUWEZZXMIBPE-OAHLLOKOSA-N 0 1 263.356 3.686 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000168740732 1127464151 /nfs/dbraw/zinc/46/41/51/1127464151.db2.gz BYVWXUMUCATGPU-MBNYWOFBSA-N 0 1 255.361 3.852 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](CC2CC2)C(C)C)c1[O-] ZINC000761192530 1127517052 /nfs/dbraw/zinc/51/70/52/1127517052.db2.gz QRIPYYXEUMFXCA-UHFFFAOYSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](CC2CC2)C(C)C)c1[O-] ZINC000761192530 1127517053 /nfs/dbraw/zinc/51/70/53/1127517053.db2.gz QRIPYYXEUMFXCA-UHFFFAOYSA-N 0 1 283.799 3.675 20 10 CHCDMN CC[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228629755 1127576168 /nfs/dbraw/zinc/57/61/68/1127576168.db2.gz PLRNPRFMKKGAEL-SNVBAGLBSA-N 0 1 271.788 3.532 20 10 CHCDMN CC[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228629755 1127576172 /nfs/dbraw/zinc/57/61/72/1127576172.db2.gz PLRNPRFMKKGAEL-SNVBAGLBSA-N 0 1 271.788 3.532 20 10 CHCDMN Cc1cnc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)s1 ZINC000294697772 1127592552 /nfs/dbraw/zinc/59/25/52/1127592552.db2.gz UIPBVBMLZHWKEK-CYBMUJFWSA-N 0 1 289.448 3.677 20 10 CHCDMN C[C@H]([NH2+]CCC1CC1)c1ccc2ccccc2c1[O-] ZINC000088454732 1127938405 /nfs/dbraw/zinc/93/84/05/1127938405.db2.gz OJLMTNLAWZEVAX-LBPRGKRZSA-N 0 1 255.361 3.996 20 10 CHCDMN CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134898872 1128048283 /nfs/dbraw/zinc/04/82/83/1128048283.db2.gz ZGKCCWIXTGCDAM-NXEZZACHSA-N 0 1 286.213 3.994 20 10 CHCDMN Cc1cc(O)c(CN2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000029891475 1128068072 /nfs/dbraw/zinc/06/80/72/1128068072.db2.gz IXLFSJSPFUSKLC-LJQANCHMSA-N 0 1 297.398 3.583 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000152877555 1128154943 /nfs/dbraw/zinc/15/49/43/1128154943.db2.gz KEWCQQXIEULHTO-UHFFFAOYSA-N 0 1 291.753 3.964 20 10 CHCDMN C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(Cl)cc1[O-] ZINC000927156692 1128223319 /nfs/dbraw/zinc/22/33/19/1128223319.db2.gz 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ZINC000179887375 1128764987 /nfs/dbraw/zinc/76/49/87/1128764987.db2.gz PULPDWBYLMSJHT-LBPRGKRZSA-N 0 1 259.324 3.724 20 10 CHCDMN Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000091930843 1118441468 /nfs/dbraw/zinc/44/14/68/1118441468.db2.gz WDMVIIIVASLQRC-UHFFFAOYSA-N 0 1 299.201 3.670 20 10 CHCDMN CN(Cc1cc(Cl)cn1C)Cc1cc(Cl)ccc1O ZINC000091930843 1118441470 /nfs/dbraw/zinc/44/14/70/1118441470.db2.gz WDMVIIIVASLQRC-UHFFFAOYSA-N 0 1 299.201 3.670 20 10 CHCDMN Cc1cc(CNCc2cncs2)c(C)n1-c1ccccc1 ZINC000127996237 1118577471 /nfs/dbraw/zinc/57/74/71/1118577471.db2.gz NYQUBVQFOZWDDG-UHFFFAOYSA-N 0 1 297.427 3.840 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000834908930 1118627985 /nfs/dbraw/zinc/62/79/85/1118627985.db2.gz ISXCHWTYAFGMNG-RYUDHWBXSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1c([O-])cccc1Br ZINC000707138803 1118642898 /nfs/dbraw/zinc/64/28/98/1118642898.db2.gz HODGWVMYVMZYHB-WDEREUQCSA-N 0 1 298.224 3.918 20 10 CHCDMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1c([O-])cccc1Br ZINC000707138803 1118642899 /nfs/dbraw/zinc/64/28/99/1118642899.db2.gz HODGWVMYVMZYHB-WDEREUQCSA-N 0 1 298.224 3.918 20 10 CHCDMN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1c([O-])cccc1Br ZINC000707138798 1118642904 /nfs/dbraw/zinc/64/29/04/1118642904.db2.gz HODGWVMYVMZYHB-MNOVXSKESA-N 0 1 298.224 3.918 20 10 CHCDMN Cc1cnc(C(C)(C)NCc2cc(Cl)ccc2O)s1 ZINC000175982123 1118735784 /nfs/dbraw/zinc/73/57/84/1118735784.db2.gz WUNWVYMRCOMJGB-UHFFFAOYSA-N 0 1 296.823 3.835 20 10 CHCDMN Cc1cnc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000175982123 1118735785 /nfs/dbraw/zinc/73/57/85/1118735785.db2.gz WUNWVYMRCOMJGB-UHFFFAOYSA-N 0 1 296.823 3.835 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000386462297 1118850395 /nfs/dbraw/zinc/85/03/95/1118850395.db2.gz GCKYHFHYFOKYRB-VXGBXAGGSA-N 0 1 265.784 3.668 20 10 CHCDMN C[N@@H+](Cc1cc2ccccc2o1)Cc1ccccc1O ZINC000178531928 1119005103 /nfs/dbraw/zinc/00/51/03/1119005103.db2.gz MJSWNMODFQQOLO-UHFFFAOYSA-N 0 1 267.328 3.770 20 10 CHCDMN CC(C)C1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000227833174 1119307980 /nfs/dbraw/zinc/30/79/80/1119307980.db2.gz AOKNDXCOUAOKQH-UHFFFAOYSA-N 0 1 253.773 3.571 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310780067 1119950620 /nfs/dbraw/zinc/95/06/20/1119950620.db2.gz FIHOWEZFWVXIMA-TXEJJXNPSA-N 0 1 265.784 3.668 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310780067 1119950624 /nfs/dbraw/zinc/95/06/24/1119950624.db2.gz FIHOWEZFWVXIMA-TXEJJXNPSA-N 0 1 265.784 3.668 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000162897427 1120003803 /nfs/dbraw/zinc/00/38/03/1120003803.db2.gz AADSSOBQWGMYGS-MNOVXSKESA-N 0 1 253.773 3.524 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000162897427 1120003804 /nfs/dbraw/zinc/00/38/04/1120003804.db2.gz AADSSOBQWGMYGS-MNOVXSKESA-N 0 1 253.773 3.524 20 10 CHCDMN C[C@H](NCC=C(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000407400044 1120153851 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ZINC000893863597 1121432810 /nfs/dbraw/zinc/43/28/10/1121432810.db2.gz JRSYGLVCHBZFFK-UHFFFAOYSA-N 0 1 299.418 3.605 20 10 CHCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CC2(CCC2)C1 ZINC000697737247 1121559617 /nfs/dbraw/zinc/55/96/17/1121559617.db2.gz QGJHIDHNVPYCLQ-UHFFFAOYSA-N 0 1 296.208 3.577 20 10 CHCDMN CCN(C)c1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000773808704 1121863407 /nfs/dbraw/zinc/86/34/07/1121863407.db2.gz LZKVDIHKXJOWFZ-UHFFFAOYSA-N 0 1 295.430 3.702 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@@H]2C)c(Cl)c1 ZINC001179898775 1121918508 /nfs/dbraw/zinc/91/85/08/1121918508.db2.gz UIQUZOGPDXCUSL-MNOVXSKESA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@@H]2C)c(Cl)c1 ZINC001179898775 1121918516 /nfs/dbraw/zinc/91/85/16/1121918516.db2.gz UIQUZOGPDXCUSL-MNOVXSKESA-N 0 1 253.773 3.584 20 10 CHCDMN CC1(C)CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000732980359 1121948262 /nfs/dbraw/zinc/94/82/62/1121948262.db2.gz IOTQHLGXDGBGPR-UHFFFAOYSA-N 0 1 270.376 3.562 20 10 CHCDMN 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253.773 3.584 20 10 CHCDMN CC(C)OCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613550 1122000406 /nfs/dbraw/zinc/00/04/06/1122000406.db2.gz BBQYFDXZLUMVKJ-UHFFFAOYSA-N 0 1 291.435 3.952 20 10 CHCDMN CC(C)OCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613550 1122000415 /nfs/dbraw/zinc/00/04/15/1122000415.db2.gz BBQYFDXZLUMVKJ-UHFFFAOYSA-N 0 1 291.435 3.952 20 10 CHCDMN CC(C)c1ccc(O)c(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC001181696866 1122073274 /nfs/dbraw/zinc/07/32/74/1122073274.db2.gz CGZGADSWAFHUOH-KRWDZBQOSA-N 0 1 299.418 3.966 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCC2CCC2)cc1Cl ZINC001183630963 1122233280 /nfs/dbraw/zinc/23/32/80/1122233280.db2.gz NNPRRQPSNVJFRD-UHFFFAOYSA-N 0 1 253.773 3.634 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCCCO1 ZINC000273505202 1122236226 /nfs/dbraw/zinc/23/62/26/1122236226.db2.gz QXAUBPBFKMCWEL-FIXISWKDSA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)cc1Cl ZINC001183822049 1122242466 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ZINC000775503245 1122628526 /nfs/dbraw/zinc/62/85/26/1122628526.db2.gz DVLSFPRBHVSDPN-UKRRQHHQSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@@H]([NH2+][C@H](COC)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775510286 1122630600 /nfs/dbraw/zinc/63/06/00/1122630600.db2.gz ZQZQDEKWBMMKBS-ZIAGYGMSSA-N 0 1 285.815 3.757 20 10 CHCDMN CC[C@H](COC)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775510203 1122631094 /nfs/dbraw/zinc/63/10/94/1122631094.db2.gz WQRWWTBPWKCNHE-DGCLKSJQSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@H]([NH2+]C[C@H](OC)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775512061 1122633085 /nfs/dbraw/zinc/63/30/85/1122633085.db2.gz JVUDSRXNTLBBPB-ZFWWWQNUSA-N 0 1 285.815 3.757 20 10 CHCDMN CC[C@@H](O)CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775524931 1122641916 /nfs/dbraw/zinc/64/19/16/1122641916.db2.gz CTXHIXYCCDHGLL-OCCSQVGLSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@@H]([NH2+]CCOC1CCC1)c1cc(Cl)ccc1[O-] ZINC000775534408 1122650601 /nfs/dbraw/zinc/65/06/01/1122650601.db2.gz DWRYXEQPMOYXBO-CQSZACIVSA-N 0 1 283.799 3.655 20 10 CHCDMN CC[C@@H]([NH2+]CCOCC1CCC1)c1cc(Cl)ccc1[O-] ZINC000775556282 1122660829 /nfs/dbraw/zinc/66/08/29/1122660829.db2.gz VYMUGXBTIWKAGS-OAHLLOKOSA-N 0 1 297.826 3.903 20 10 CHCDMN CC(C)C(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000219269190 1122739685 /nfs/dbraw/zinc/73/96/85/1122739685.db2.gz SGPQWXGYGJWEHY-NSHDSACASA-N 0 1 253.361 3.864 20 10 CHCDMN CC1(C)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775669153 1122883204 /nfs/dbraw/zinc/88/32/04/1122883204.db2.gz GOSMNMHWIZZMSD-UHFFFAOYSA-N 0 1 257.736 3.559 20 10 CHCDMN CSC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775725233 1122926250 /nfs/dbraw/zinc/92/62/50/1122926250.db2.gz VPOBTMTUAFUWHB-NSHDSACASA-N 0 1 289.803 3.512 20 10 CHCDMN Cc1cc(C)c(O)c(CN(C)Cc2ccccc2F)c1 ZINC000216024527 1123020019 /nfs/dbraw/zinc/02/00/19/1123020019.db2.gz VTDRHYIWUWZKCM-UHFFFAOYSA-N 0 1 273.351 3.780 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC=CCC2)c(Cl)c1 ZINC001199843488 1123042408 /nfs/dbraw/zinc/04/24/08/1123042408.db2.gz NVPSGOBLVBGGAO-GFCCVEGCSA-N 0 1 265.784 3.800 20 10 CHCDMN C[C@H](COc1ccccc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000776174397 1123101824 /nfs/dbraw/zinc/10/18/24/1123101824.db2.gz KYVCUQIATCOVTC-GFCCVEGCSA-N 0 1 291.778 3.603 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000850480744 1123273316 /nfs/dbraw/zinc/27/33/16/1123273316.db2.gz DDFARENKMXIHQD-DGCLKSJQSA-N 0 1 296.842 3.569 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000850495288 1123274879 /nfs/dbraw/zinc/27/48/79/1123274879.db2.gz ZLDMRYHPUUYNSQ-AAEUAGOBSA-N 0 1 296.842 3.569 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1C=CCC1)c1cc(Cl)ccc1[O-] ZINC000850510353 1123278122 /nfs/dbraw/zinc/27/81/22/1123278122.db2.gz SUDWVOKEVOCSAA-WCQYABFASA-N 0 1 251.757 3.805 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(Cl)cc1[O-] ZINC000850553201 1123290025 /nfs/dbraw/zinc/29/00/25/1123290025.db2.gz TZJMQSLDDJEHIC-QPUJVOFHSA-N 0 1 289.753 3.988 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000850570194 1123294486 /nfs/dbraw/zinc/29/44/86/1123294486.db2.gz FPUZJCDLCCNTBQ-QWRGUYRKSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@H](CCc1ccco1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020144931 1123365209 /nfs/dbraw/zinc/36/52/09/1123365209.db2.gz ZBYGWLJQSXFYOY-LLVKDONJSA-N 0 1 279.767 3.750 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CC[C@H](OC)C1 ZINC000852019036 1123393352 /nfs/dbraw/zinc/39/33/52/1123393352.db2.gz TUFNGHSRZSHVSR-CVEARBPZSA-N 0 1 277.408 3.562 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[C@H](OC)C1 ZINC000852019036 1123393354 /nfs/dbraw/zinc/39/33/54/1123393354.db2.gz TUFNGHSRZSHVSR-CVEARBPZSA-N 0 1 277.408 3.562 20 10 CHCDMN C[C@@H]1COC2(CCC2)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000853542761 1123443048 /nfs/dbraw/zinc/44/30/48/1123443048.db2.gz UHUAVDYPRULLSW-CQSZACIVSA-N 0 1 297.398 3.689 20 10 CHCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCCOC1 ZINC000895664133 1123503709 /nfs/dbraw/zinc/50/37/09/1123503709.db2.gz PWMSNOHNLNHQNW-WFASDCNBSA-N 0 1 297.826 3.649 20 10 CHCDMN Cc1cccc(CN[C@H]2c3ccccc3CC[C@H]2F)c1O ZINC000895693155 1123505659 /nfs/dbraw/zinc/50/56/59/1123505659.db2.gz YZTRBBDJPMDXRJ-SJORKVTESA-N 0 1 285.362 3.816 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000858548966 1123661580 /nfs/dbraw/zinc/66/15/80/1123661580.db2.gz YCUWOITWIIHLAO-XLWVJDPXSA-N 0 1 297.398 3.764 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000281273125 1123692535 /nfs/dbraw/zinc/69/25/35/1123692535.db2.gz YRHQLFBFJBIFOS-ZJUUUORDSA-N 0 1 273.298 3.617 20 10 CHCDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCS1 ZINC000896951649 1123792332 /nfs/dbraw/zinc/79/23/32/1123792332.db2.gz LGPSGVHUXDWRCM-IUODEOHRSA-N 0 1 287.428 3.919 20 10 CHCDMN C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCS1 ZINC000896951652 1123792364 /nfs/dbraw/zinc/79/23/64/1123792364.db2.gz LGPSGVHUXDWRCM-WFASDCNBSA-N 0 1 287.428 3.919 20 10 CHCDMN Cc1cc(F)c(CNCc2c(C)cccc2O)c(F)c1 ZINC000897212562 1123846447 /nfs/dbraw/zinc/84/64/47/1123846447.db2.gz DIQRCNLEPBYJKJ-UHFFFAOYSA-N 0 1 277.314 3.577 20 10 CHCDMN Oc1c(F)c(F)ccc1CNc1cccc2cc[nH]c21 ZINC000864032644 1123911691 /nfs/dbraw/zinc/91/16/91/1123911691.db2.gz TZFGRQLIXWFLEE-UHFFFAOYSA-N 0 1 274.270 3.764 20 10 CHCDMN CC[N@H+](Cc1c(O)ccc2ccncc21)CC1CCC1 ZINC000794682673 1123926933 /nfs/dbraw/zinc/92/69/33/1123926933.db2.gz JIZCCWZJCCNHFD-UHFFFAOYSA-N 0 1 270.376 3.562 20 10 CHCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)CC1CCC1 ZINC000794682673 1123926934 /nfs/dbraw/zinc/92/69/34/1123926934.db2.gz JIZCCWZJCCNHFD-UHFFFAOYSA-N 0 1 270.376 3.562 20 10 CHCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)CC1CCC1 ZINC000794682673 1123926936 /nfs/dbraw/zinc/92/69/36/1123926936.db2.gz JIZCCWZJCCNHFD-UHFFFAOYSA-N 0 1 270.376 3.562 20 10 CHCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCC(C)(C)C1 ZINC000794686839 1123927843 /nfs/dbraw/zinc/92/78/43/1123927843.db2.gz RYLLLQPBGPOWLJ-CQSZACIVSA-N 0 1 284.403 3.951 20 10 CHCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCC(C)(C)C1 ZINC000794686839 1123927847 /nfs/dbraw/zinc/92/78/47/1123927847.db2.gz RYLLLQPBGPOWLJ-CQSZACIVSA-N 0 1 284.403 3.951 20 10 CHCDMN CC[C@@H](NCc1csc(C)n1)c1ccc(C)cc1O ZINC000794797690 1123950921 /nfs/dbraw/zinc/95/09/21/1123950921.db2.gz PRJRERDZSOHKDW-CQSZACIVSA-N 0 1 276.405 3.706 20 10 CHCDMN COCC1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000840882343 1123982670 /nfs/dbraw/zinc/98/26/70/1123982670.db2.gz TYTFDMSFRDVTOR-LKSINWNRSA-N 0 1 297.826 3.901 20 10 CHCDMN COC1([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000840884908 1123996778 /nfs/dbraw/zinc/99/67/78/1123996778.db2.gz ROPBYZVIHFORGJ-WDEREUQCSA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1ccc(CN2CC(C)(C)[C@H]2c2cccnc2)c(O)c1 ZINC000877547097 1125041910 /nfs/dbraw/zinc/04/19/10/1125041910.db2.gz WQHLXGKGXHXZOH-QGZVFWFLSA-N 0 1 282.387 3.679 20 10 CHCDMN CSc1ccc(CN2Cc3cccc(O)c3C2)cc1 ZINC000877704027 1125066058 /nfs/dbraw/zinc/06/60/58/1125066058.db2.gz XBBYRLODUXFTGN-UHFFFAOYSA-N 0 1 271.385 3.630 20 10 CHCDMN Oc1cccc2c1CN(Cc1cccc(OC(F)F)c1)C2 ZINC000877703779 1125066701 /nfs/dbraw/zinc/06/67/01/1125066701.db2.gz UOXDLOYKNVLURH-UHFFFAOYSA-N 0 1 291.297 3.509 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000211442640 1125306178 /nfs/dbraw/zinc/30/61/78/1125306178.db2.gz MTUKZRQVZJZBKJ-RISCZKNCSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000211442640 1125306180 /nfs/dbraw/zinc/30/61/80/1125306180.db2.gz MTUKZRQVZJZBKJ-RISCZKNCSA-N 0 1 265.784 3.810 20 10 CHCDMN C[N@@H+](Cc1ccccc1O)[C@H]1CCc2ccccc21 ZINC000131989612 1125412843 /nfs/dbraw/zinc/41/28/43/1125412843.db2.gz FNTHSZYBHBZQCE-INIZCTEOSA-N 0 1 253.345 3.512 20 10 CHCDMN COCC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccco1 ZINC000779995371 1129181852 /nfs/dbraw/zinc/18/18/52/1129181852.db2.gz MXMLVZDBHJFCEB-ZDUSSCGKSA-N 0 1 295.766 3.506 20 10 CHCDMN C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000296633515 1129223235 /nfs/dbraw/zinc/22/32/35/1129223235.db2.gz XNOSIUGAVQRCAD-STQMWFEESA-N 0 1 287.403 3.746 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc(F)ccc1[O-] ZINC000282671425 1129278404 /nfs/dbraw/zinc/27/84/04/1129278404.db2.gz JESPQTRCTFVDNI-BLLLJJGKSA-N 0 1 293.382 3.531 20 10 CHCDMN Cc1noc(C)c1[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000378918765 1129285187 /nfs/dbraw/zinc/28/51/87/1129285187.db2.gz BTUSCEZRJIEOPF-CYBMUJFWSA-N 0 1 299.418 3.742 20 10 CHCDMN Cc1ccc(O)c([C@@H](C)NCc2ncc(Cl)s2)c1 ZINC000719392873 1129332195 /nfs/dbraw/zinc/33/21/95/1129332195.db2.gz DBXVYIVPPFBXOC-SECBINFHSA-N 0 1 282.796 3.661 20 10 CHCDMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2O)C1 ZINC000093868831 1129428589 /nfs/dbraw/zinc/42/85/89/1129428589.db2.gz YRIXGWKYTNNNDG-ZIAGYGMSSA-N 0 1 295.448 3.507 20 10 CHCDMN Cc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000746448582 1129665259 /nfs/dbraw/zinc/66/52/59/1129665259.db2.gz AKULYPCVTKTQIC-UHFFFAOYSA-N 0 1 295.430 3.621 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2ccc(F)cn2)cc1 ZINC000766609347 1129706376 /nfs/dbraw/zinc/70/63/76/1129706376.db2.gz XMZIGXDUEFUWIK-CYBMUJFWSA-N 0 1 287.382 3.528 20 10 CHCDMN CCOc1ccc(C[N@H+]([C@H](C)C(C)C)C2CC2)c([O-])c1 ZINC000768137177 1129834599 /nfs/dbraw/zinc/83/45/99/1129834599.db2.gz HHIQKHSAHHICKV-CYBMUJFWSA-N 0 1 277.408 3.800 20 10 CHCDMN CCOc1ccc(C[N@@H+]([C@H](C)C(C)C)C2CC2)c([O-])c1 ZINC000768137177 1129834602 /nfs/dbraw/zinc/83/46/02/1129834602.db2.gz HHIQKHSAHHICKV-CYBMUJFWSA-N 0 1 277.408 3.800 20 10 CHCDMN C[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000768175468 1129838825 /nfs/dbraw/zinc/83/88/25/1129838825.db2.gz PTYKSALOEWBFRL-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN C[N@@H+](Cc1ccc(F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000768175468 1129838833 /nfs/dbraw/zinc/83/88/33/1129838833.db2.gz PTYKSALOEWBFRL-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000800889410 1129896272 /nfs/dbraw/zinc/89/62/72/1129896272.db2.gz ULHQWHVSUCGHHC-UHFFFAOYSA-N 0 1 281.705 3.724 20 10 CHCDMN CC(C)[N@H+](Cc1cccc(Br)c1[O-])CC1CC1 ZINC000768673854 1129868393 /nfs/dbraw/zinc/86/83/93/1129868393.db2.gz KHIVYRLNTZEKHC-UHFFFAOYSA-N 0 1 298.224 3.775 20 10 CHCDMN Cc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)oc1C ZINC000800475222 1129876111 /nfs/dbraw/zinc/87/61/11/1129876111.db2.gz VLMKZKVFMYSZLY-LBPRGKRZSA-N 0 1 290.382 3.952 20 10 CHCDMN Oc1c(Cl)cccc1CN1CCCC[C@H]1C(F)F ZINC000800534251 1129882695 /nfs/dbraw/zinc/88/26/95/1129882695.db2.gz ZCFFQLKWNVRFNJ-NSHDSACASA-N 0 1 275.726 3.665 20 10 CHCDMN C[N@@H+](Cc1ccoc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769006311 1129888673 /nfs/dbraw/zinc/88/86/73/1129888673.db2.gz RKZMDRQPPNXDQO-UHFFFAOYSA-N 0 1 286.158 3.924 20 10 CHCDMN CC[C@@H]1CCCCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769456428 1129911613 /nfs/dbraw/zinc/91/16/13/1129911613.db2.gz JUYMAMRIFNPXCQ-CYBMUJFWSA-N 0 1 263.381 3.555 20 10 CHCDMN CC[C@@H]1CCCCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769456428 1129911616 /nfs/dbraw/zinc/91/16/16/1129911616.db2.gz JUYMAMRIFNPXCQ-CYBMUJFWSA-N 0 1 263.381 3.555 20 10 CHCDMN CC(C)[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000769469797 1129912554 /nfs/dbraw/zinc/91/25/54/1129912554.db2.gz FTAZOTDNJQXJBK-UHFFFAOYSA-N 0 1 298.770 3.717 20 10 CHCDMN COc1cccc(O)c1CN(C)Cc1cc2ccccc2o1 ZINC000769499957 1129913931 /nfs/dbraw/zinc/91/39/31/1129913931.db2.gz XZXPFPXMDTXVTB-UHFFFAOYSA-N 0 1 297.354 3.779 20 10 CHCDMN Oc1ccccc1CN1CCc2c(Cl)cccc2C1 ZINC000770511041 1129948656 /nfs/dbraw/zinc/94/86/56/1129948656.db2.gz XEMZYZBWMCMPDJ-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN CN(C)c1ccc(CN(C)Cc2ccc(Cl)o2)cc1 ZINC000771935475 1129996810 /nfs/dbraw/zinc/99/68/10/1129996810.db2.gz VHQMPOISNGHCQH-UHFFFAOYSA-N 0 1 278.783 3.631 20 10 CHCDMN CC(C)[C@H](N[C@H](C)c1cc(F)cc(F)c1O)C(F)(F)F ZINC000786983188 1130125183 /nfs/dbraw/zinc/12/51/83/1130125183.db2.gz RROUYALJDKFOSV-KRTXAFLBSA-N 0 1 297.267 3.908 20 10 CHCDMN C[C@@H]([NH2+]CC(C)(C)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000903243973 1130134680 /nfs/dbraw/zinc/13/46/80/1130134680.db2.gz LORMXXLJVSUWCV-GFCCVEGCSA-N 0 1 295.398 3.635 20 10 CHCDMN Cc1ccc([C@H](C)N[C@H](c2ncccn2)C2CC2)c(O)c1C ZINC000903327363 1130156401 /nfs/dbraw/zinc/15/64/01/1130156401.db2.gz SDNMTWQPWPRFOV-BBRMVZONSA-N 0 1 297.402 3.601 20 10 CHCDMN C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccc2ccccc2c1[O-] ZINC000903438834 1130176993 /nfs/dbraw/zinc/17/69/93/1130176993.db2.gz XPEDSEDGSCOSGK-IGNZVWTISA-N 0 1 297.398 3.621 20 10 CHCDMN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCC1 ZINC000792165661 1130434298 /nfs/dbraw/zinc/43/42/98/1130434298.db2.gz KNAMOBOHSJNPKK-UHFFFAOYSA-N 0 1 257.736 3.559 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792167003 1130435724 /nfs/dbraw/zinc/43/57/24/1130435724.db2.gz JYWDMLLWWAOPSI-VIFPVBQESA-N 0 1 257.736 3.559 20 10 CHCDMN C[C@H]1C[C@H](C)N1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793220163 1130530786 /nfs/dbraw/zinc/53/07/86/1130530786.db2.gz KQWJGVZTTRYELJ-QWRGUYRKSA-N 0 1 286.341 3.754 20 10 CHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c(O)cccc1Cl ZINC000793230035 1130531967 /nfs/dbraw/zinc/53/19/67/1130531967.db2.gz CNHVMBDPJMNNCI-SCZZXKLOSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000793230035 1130531973 /nfs/dbraw/zinc/53/19/73/1130531973.db2.gz CNHVMBDPJMNNCI-SCZZXKLOSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000793230035 1130531979 /nfs/dbraw/zinc/53/19/79/1130531979.db2.gz CNHVMBDPJMNNCI-SCZZXKLOSA-N 0 1 293.716 3.818 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC2CC2)C2CCC2)c(O)c1 ZINC000793393159 1130551229 /nfs/dbraw/zinc/55/12/29/1130551229.db2.gz DNCRNBWFHGGTCR-UHFFFAOYSA-N 0 1 275.392 3.555 20 10 CHCDMN CCOc1ccc(C[N@H+](CC2CC2)C2CCC2)c([O-])c1 ZINC000793393159 1130551231 /nfs/dbraw/zinc/55/12/31/1130551231.db2.gz DNCRNBWFHGGTCR-UHFFFAOYSA-N 0 1 275.392 3.555 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC2CC2)C2CCC2)c([O-])c1 ZINC000793393159 1130551235 /nfs/dbraw/zinc/55/12/35/1130551235.db2.gz DNCRNBWFHGGTCR-UHFFFAOYSA-N 0 1 275.392 3.555 20 10 CHCDMN COC1CCC(CC[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000757984724 1130592065 /nfs/dbraw/zinc/59/20/65/1130592065.db2.gz HUNVQJRCWNBZTK-UHFFFAOYSA-N 0 1 297.826 3.731 20 10 CHCDMN CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCCO1 ZINC000758500418 1130614993 /nfs/dbraw/zinc/61/49/93/1130614993.db2.gz ZPDVWDSVXIHBJN-HNNXBMFYSA-N 0 1 297.826 3.731 20 10 CHCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)[C@@H]1CCCCO1 ZINC000758498764 1130615335 /nfs/dbraw/zinc/61/53/35/1130615335.db2.gz NDCSKHNKRJXGPL-HNNXBMFYSA-N 0 1 297.826 3.731 20 10 CHCDMN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCC1(F)F ZINC000811512741 1130619013 /nfs/dbraw/zinc/61/90/13/1130619013.db2.gz RGHCNDRYIZZZCP-VIFPVBQESA-N 0 1 275.726 3.523 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCC1(F)F ZINC000811512741 1130619015 /nfs/dbraw/zinc/61/90/15/1130619015.db2.gz RGHCNDRYIZZZCP-VIFPVBQESA-N 0 1 275.726 3.523 20 10 CHCDMN CCOc1ccc(CNc2cc3c(cn2)CCCC3)c(O)c1 ZINC000812345905 1130685907 /nfs/dbraw/zinc/68/59/07/1130685907.db2.gz VAHBFGJLXRHQCA-UHFFFAOYSA-N 0 1 298.386 3.677 20 10 CHCDMN CC[C@H]([NH2+]CCCCF)c1cc(Cl)ccc1[O-] ZINC000812735374 1130710421 /nfs/dbraw/zinc/71/04/21/1130710421.db2.gz CJMPOGOFJHUEBH-LBPRGKRZSA-N 0 1 259.752 3.836 20 10 CHCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C2CCCC2)c1 ZINC000781895566 1130746026 /nfs/dbraw/zinc/74/60/26/1130746026.db2.gz VJCFEJJLDXITAV-UHFFFAOYSA-N 0 1 298.224 3.838 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(C2CC2)CC1 ZINC000814172421 1130833610 /nfs/dbraw/zinc/83/36/10/1130833610.db2.gz MQMKGLGKPPCDKD-UHFFFAOYSA-N 0 1 265.784 3.668 20 10 CHCDMN COc1cc(Cl)cc(C[NH+](C2CCC2)C2CCC2)c1[O-] ZINC000814177498 1130834748 /nfs/dbraw/zinc/83/47/48/1130834748.db2.gz FHHKAKAKRDCPNH-UHFFFAOYSA-N 0 1 295.810 3.961 20 10 CHCDMN CN(C)c1ccc(CN2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000814171117 1130838270 /nfs/dbraw/zinc/83/82/70/1130838270.db2.gz KWDCQZPHDCHQSG-GOSISDBHSA-N 0 1 295.430 3.731 20 10 CHCDMN CC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170760806 1130904017 /nfs/dbraw/zinc/90/40/17/1130904017.db2.gz JHILKWOBWCOGBY-QKDCVEJESA-N 0 1 259.393 3.649 20 10 CHCDMN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170760806 1130904024 /nfs/dbraw/zinc/90/40/24/1130904024.db2.gz JHILKWOBWCOGBY-QKDCVEJESA-N 0 1 259.393 3.649 20 10 CHCDMN Cc1cc(CN2CC=C(C(F)(F)F)CC2)ccc1N(C)C ZINC000815075511 1130955760 /nfs/dbraw/zinc/95/57/60/1130955760.db2.gz FJVPSZNVSJASLL-UHFFFAOYSA-N 0 1 298.352 3.755 20 10 CHCDMN COc1ccc2ccc(O)c(C[N@@H+]3CC(C)=C[C@@H](C)C3)c2c1 ZINC000797416024 1130985907 /nfs/dbraw/zinc/98/59/07/1130985907.db2.gz FMKFVWRSPRFWJT-CYBMUJFWSA-N 0 1 297.398 3.952 20 10 CHCDMN CCc1ccc(C[N@@H+](C)Cc2cccc(C)c2)c(O)c1 ZINC001236782419 1131005968 /nfs/dbraw/zinc/00/59/68/1131005968.db2.gz BHGRAMLYOACZBJ-UHFFFAOYSA-N 0 1 269.388 3.895 20 10 CHCDMN C[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793634 1131009320 /nfs/dbraw/zinc/00/93/20/1131009320.db2.gz MQYGLVFDZBAXNB-MRVPVSSYSA-N 0 1 260.164 3.683 20 10 CHCDMN CCC[N@@H+](CC)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236792545 1131009658 /nfs/dbraw/zinc/00/96/58/1131009658.db2.gz DYQACWOXYILRSN-UHFFFAOYSA-N 0 1 262.180 3.931 20 10 CHCDMN COc1cc([O-])c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC001236797549 1131009963 /nfs/dbraw/zinc/00/99/63/1131009963.db2.gz GHCJWYVKYUOHKI-VXGBXAGGSA-N 0 1 295.810 3.676 20 10 CHCDMN COc1cc([O-])c(C[NH+]2[C@H](C)CCC[C@H]2C)c(Cl)c1 ZINC001236801203 1131011227 /nfs/dbraw/zinc/01/12/27/1131011227.db2.gz BQEXIUUCZYJYHL-GHMZBOCLSA-N 0 1 283.799 3.817 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCCC3(CCC3)C2)c(Cl)c1 ZINC001236807445 1131012770 /nfs/dbraw/zinc/01/27/70/1131012770.db2.gz GQQJQOCTDMKQHG-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCCC3(CCC3)C2)c(Cl)c1 ZINC001236807445 1131012772 /nfs/dbraw/zinc/01/27/72/1131012772.db2.gz GQQJQOCTDMKQHG-UHFFFAOYSA-N 0 1 295.810 3.820 20 10 CHCDMN COc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c([O-])c1Cl ZINC001236803276 1131012883 /nfs/dbraw/zinc/01/28/83/1131012883.db2.gz YNBBSNFMOYINSW-NWDGAFQWSA-N 0 1 295.810 3.676 20 10 CHCDMN CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C1CCCCC1 ZINC001236817800 1131013346 /nfs/dbraw/zinc/01/33/46/1131013346.db2.gz HUBLTQLYQHSZNK-UHFFFAOYSA-N 0 1 277.408 3.864 20 10 CHCDMN CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C1CCCCC1 ZINC001236817800 1131013352 /nfs/dbraw/zinc/01/33/52/1131013352.db2.gz HUBLTQLYQHSZNK-UHFFFAOYSA-N 0 1 277.408 3.864 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cc(Cl)ccc1[O-] ZINC000815642679 1131015467 /nfs/dbraw/zinc/01/54/67/1131015467.db2.gz JNIFLKSUTSFHHO-VHSXEESVSA-N 0 1 292.766 3.558 20 10 CHCDMN Oc1cc2ccccc2cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001236827120 1131015886 /nfs/dbraw/zinc/01/58/86/1131015886.db2.gz PLIRYYQXEYIKSC-IYBDPMFKSA-N 0 1 267.372 3.777 20 10 CHCDMN CC(C)c1ccc(CN2CCC[C@H]2c2ncccn2)c(O)c1 ZINC001237051533 1131039566 /nfs/dbraw/zinc/03/95/66/1131039566.db2.gz MUYITKSMFYBNIO-INIZCTEOSA-N 0 1 297.402 3.643 20 10 CHCDMN CC(C)c1ccc(CN2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001237046296 1131040953 /nfs/dbraw/zinc/04/09/53/1131040953.db2.gz SLLBYQPFEKZUMX-JKSUJKDBSA-N 0 1 283.362 3.788 20 10 CHCDMN CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001237046207 1131041235 /nfs/dbraw/zinc/04/12/35/1131041235.db2.gz RIGDMBMONPWQNG-GASCZTMLSA-N 0 1 295.373 3.993 20 10 CHCDMN CC1(C)[C@@H]2C[N@H+](Cc3c([O-])ccc(Cl)c3Cl)C[C@@H]21 ZINC001237084669 1131046671 /nfs/dbraw/zinc/04/66/71/1131046671.db2.gz NJFQZFDNYKVBEZ-AOOOYVTPSA-N 0 1 286.202 3.787 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCCCCC1 ZINC001237119178 1131052519 /nfs/dbraw/zinc/05/25/19/1131052519.db2.gz BPMKKJWSDNFEJE-UHFFFAOYSA-N 0 1 257.736 3.561 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127403 1131055355 /nfs/dbraw/zinc/05/53/55/1131055355.db2.gz ZMFXMGSCJRGCCN-JTQLQIEISA-N 0 1 271.763 3.807 20 10 CHCDMN CC[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127403 1131055361 /nfs/dbraw/zinc/05/53/61/1131055361.db2.gz ZMFXMGSCJRGCCN-JTQLQIEISA-N 0 1 271.763 3.807 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127403 1131055368 /nfs/dbraw/zinc/05/53/68/1131055368.db2.gz ZMFXMGSCJRGCCN-JTQLQIEISA-N 0 1 271.763 3.807 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CC2CCC(CC2)C1 ZINC001237131973 1131056664 /nfs/dbraw/zinc/05/66/64/1131056664.db2.gz ZKUNZCSCAOQBAF-UHFFFAOYSA-N 0 1 283.774 3.807 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC(C)(C)C ZINC000816494789 1131100130 /nfs/dbraw/zinc/10/01/30/1131100130.db2.gz ZVJJICDSAZPACI-UHFFFAOYSA-N 0 1 259.752 3.663 20 10 CHCDMN CC1(C)[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]21 ZINC000816514619 1131103260 /nfs/dbraw/zinc/10/32/60/1131103260.db2.gz CNVZJUNBFCCZTL-IYBDPMFKSA-N 0 1 267.372 3.633 20 10 CHCDMN CC1(C)[C@@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]21 ZINC000816514619 1131103261 /nfs/dbraw/zinc/10/32/61/1131103261.db2.gz CNVZJUNBFCCZTL-IYBDPMFKSA-N 0 1 267.372 3.633 20 10 CHCDMN Cc1cccc(O)c1CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001237490808 1131104144 /nfs/dbraw/zinc/10/41/44/1131104144.db2.gz BMFOQDDWCZPUNR-MAUKXSAKSA-N 0 1 297.398 3.663 20 10 CHCDMN CSC[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816516994 1131104294 /nfs/dbraw/zinc/10/42/94/1131104294.db2.gz ZPMFEQNNKBKNMB-OAHLLOKOSA-N 0 1 287.428 3.873 20 10 CHCDMN CSC[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816516994 1131104295 /nfs/dbraw/zinc/10/42/95/1131104295.db2.gz ZPMFEQNNKBKNMB-OAHLLOKOSA-N 0 1 287.428 3.873 20 10 CHCDMN [O-]c1c(C[NH2+][C@@H]2CCCSC2)ccc2ccccc21 ZINC000816556142 1131109656 /nfs/dbraw/zinc/10/96/56/1131109656.db2.gz AYVPWWDZWDUQDO-CQSZACIVSA-N 0 1 273.401 3.531 20 10 CHCDMN [O-]c1c(C[NH2+]CC2(CO)CCCCC2)ccc2ccccc21 ZINC000816555826 1131111768 /nfs/dbraw/zinc/11/17/68/1131111768.db2.gz RIXJZUDCPHZGMB-UHFFFAOYSA-N 0 1 299.414 3.578 20 10 CHCDMN [O-]c1c(C[NH2+]C2Cc3ccccc3C2)ccc2ccccc21 ZINC000816570357 1131112225 /nfs/dbraw/zinc/11/22/25/1131112225.db2.gz RFTZURKZUYJXQR-UHFFFAOYSA-N 0 1 289.378 3.802 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2CCCCS2)ccc2ccccc21 ZINC000816567366 1131113206 /nfs/dbraw/zinc/11/32/06/1131113206.db2.gz YSZZVQKMUBGEJM-HNNXBMFYSA-N 0 1 287.428 3.921 20 10 CHCDMN CC[C@]1(CO)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816574648 1131113247 /nfs/dbraw/zinc/11/32/47/1131113247.db2.gz OIKVXAFDPLACIN-IBGZPJMESA-N 0 1 299.414 3.530 20 10 CHCDMN CC[C@]1(CO)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816574648 1131113249 /nfs/dbraw/zinc/11/32/49/1131113249.db2.gz OIKVXAFDPLACIN-IBGZPJMESA-N 0 1 299.414 3.530 20 10 CHCDMN CC[C@H](CSC)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816612403 1131116360 /nfs/dbraw/zinc/11/63/60/1131116360.db2.gz NUYPRPQMEGZCMQ-SNVBAGLBSA-N 0 1 291.819 3.758 20 10 CHCDMN C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237618046 1131118777 /nfs/dbraw/zinc/11/87/77/1131118777.db2.gz WRUSUWMVTWWXIZ-CQSZACIVSA-N 0 1 289.753 3.899 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC001237624075 1131119769 /nfs/dbraw/zinc/11/97/69/1131119769.db2.gz XFCFAUBEJHLPPB-UHFFFAOYSA-N 0 1 283.774 3.951 20 10 CHCDMN Cc1cc(Cl)cc(CN2CCCC[C@@H](F)C2)c1O ZINC001237680504 1131127569 /nfs/dbraw/zinc/12/75/69/1131127569.db2.gz CKWFEKSGRXYGNL-CYBMUJFWSA-N 0 1 271.763 3.678 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCc2sccc2C1 ZINC001237801957 1131141135 /nfs/dbraw/zinc/14/11/35/1131141135.db2.gz WXOYOSNTPUXCCO-UHFFFAOYSA-N 0 1 297.782 3.805 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCc2sccc2C1 ZINC001237801957 1131141139 /nfs/dbraw/zinc/14/11/39/1131141139.db2.gz WXOYOSNTPUXCCO-UHFFFAOYSA-N 0 1 297.782 3.805 20 10 CHCDMN CC[N@@H+](Cc1cccnc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237799072 1131141161 /nfs/dbraw/zinc/14/11/61/1131141161.db2.gz NUFMYIFHBWHAFP-UHFFFAOYSA-N 0 1 294.757 3.602 20 10 CHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC2CCC1CC2 ZINC001237948671 1131155015 /nfs/dbraw/zinc/15/50/15/1131155015.db2.gz GITDWAMUQNVPLJ-UHFFFAOYSA-N 0 1 269.747 3.559 20 10 CHCDMN Cc1cc(F)cc(CN2CCc3cc(F)ccc3C2)c1O ZINC001238065932 1131166127 /nfs/dbraw/zinc/16/61/27/1131166127.db2.gz GPQCTDFKSAARKA-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc(C)n1 ZINC000817590056 1131175043 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ZINC000825049942 1131495905 /nfs/dbraw/zinc/49/59/05/1131495905.db2.gz NGORUMOXTOCVFB-UHFFFAOYSA-N 0 1 275.779 3.952 20 10 CHCDMN CSCCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825292508 1131505509 /nfs/dbraw/zinc/50/55/09/1131505509.db2.gz WWOTYKQQMGSIIL-UHFFFAOYSA-N 0 1 273.829 3.587 20 10 CHCDMN Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825291487 1131505892 /nfs/dbraw/zinc/50/58/92/1131505892.db2.gz LWFDDXXDRNFFJI-VIFPVBQESA-N 0 1 294.782 3.810 20 10 CHCDMN CCc1cnc(CNCc2cc(Cl)c(C)cc2O)s1 ZINC000825320573 1131506250 /nfs/dbraw/zinc/50/62/50/1131506250.db2.gz MBBQORMAXVUXAA-UHFFFAOYSA-N 0 1 296.823 3.663 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1Cl ZINC000825497231 1131513040 /nfs/dbraw/zinc/51/30/40/1131513040.db2.gz DWGOMZGQGUYSCP-CHWSQXEVSA-N 0 1 297.826 3.649 20 10 CHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC12CCCCC2 ZINC001139681068 1131628051 /nfs/dbraw/zinc/62/80/51/1131628051.db2.gz HLFRDRKNXJFHHI-UHFFFAOYSA-N 0 1 267.319 3.579 20 10 CHCDMN CCCC[N@@H+](CCC)Cc1c(F)ccc(F)c1[O-] ZINC001139683379 1131628218 /nfs/dbraw/zinc/62/82/18/1131628218.db2.gz HZYCUBZEGHIEIX-UHFFFAOYSA-N 0 1 257.324 3.683 20 10 CHCDMN CC[N@@H+](Cc1cccs1)Cc1c(F)ccc(F)c1[O-] ZINC001139685253 1131628685 /nfs/dbraw/zinc/62/86/85/1131628685.db2.gz CKUGJOXGKOUNMW-UHFFFAOYSA-N 0 1 283.343 3.754 20 10 CHCDMN C[C@H]1CC[C@H]([N@@H+](C)Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139688871 1131628889 /nfs/dbraw/zinc/62/88/89/1131628889.db2.gz CBJPPPGJTUWIPF-XYPYZODXSA-N 0 1 269.335 3.681 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])CCC1(F)F ZINC001139685838 1131629033 /nfs/dbraw/zinc/62/90/33/1131629033.db2.gz YMHQZZJMSVPGAK-VIFPVBQESA-N 0 1 291.288 3.538 20 10 CHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001139684424 1131629383 /nfs/dbraw/zinc/62/93/83/1131629383.db2.gz JSNZPKZHOJXLOZ-CYBMUJFWSA-N 0 1 289.325 3.660 20 10 CHCDMN COc1cccc([C@H](C)N[C@H](C)c2nc(C)cs2)c1O ZINC000846146678 1131694548 /nfs/dbraw/zinc/69/45/48/1131694548.db2.gz SDXJXSJKJDBORR-WDEREUQCSA-N 0 1 292.404 3.578 20 10 CHCDMN COc1cccc([C@H](C)N[C@@H](C)c2nc(C)cs2)c1O ZINC000846146677 1131694825 /nfs/dbraw/zinc/69/48/25/1131694825.db2.gz SDXJXSJKJDBORR-QWRGUYRKSA-N 0 1 292.404 3.578 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000834875800 1131715898 /nfs/dbraw/zinc/71/58/98/1131715898.db2.gz UMCLNSXXVCXAQJ-TZMCWYRMSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)c1cc(Cl)ccc1[O-] ZINC000834886440 1131718670 /nfs/dbraw/zinc/71/86/70/1131718670.db2.gz LDYIXWWCCLWTPY-GZBFAFLISA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)c(O)c1C ZINC000834896492 1131721837 /nfs/dbraw/zinc/72/18/37/1131721837.db2.gz WRWXYOVYEQFNDR-OSAQELSMSA-N 0 1 285.391 3.562 20 10 CHCDMN CCCc1ncc(CN[C@H](C)c2cc(Cl)ccc2O)o1 ZINC000834898272 1131723599 /nfs/dbraw/zinc/72/35/99/1131723599.db2.gz BCQJJIXHVJQMGR-SNVBAGLBSA-N 0 1 294.782 3.837 20 10 CHCDMN CCCc1ncc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000834898272 1131723604 /nfs/dbraw/zinc/72/36/04/1131723604.db2.gz BCQJJIXHVJQMGR-SNVBAGLBSA-N 0 1 294.782 3.837 20 10 CHCDMN C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000834906466 1131729209 /nfs/dbraw/zinc/72/92/09/1131729209.db2.gz WVTHKGQTZYJSEH-VXGBXAGGSA-N 0 1 283.799 3.513 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140462883 1131749790 /nfs/dbraw/zinc/74/97/90/1131749790.db2.gz NGLNJGRRDRCYMT-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140462883 1131749796 /nfs/dbraw/zinc/74/97/96/1131749796.db2.gz NGLNJGRRDRCYMT-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN Oc1cc(Cl)ccc1CN1CCOC2(CCCCC2)C1 ZINC001140465397 1131751016 /nfs/dbraw/zinc/75/10/16/1131751016.db2.gz LVGKQCLDOATYQL-UHFFFAOYSA-N 0 1 295.810 3.581 20 10 CHCDMN C[N@H+](CCc1ccc(F)cc1)Cc1ccc(Cl)cc1[O-] ZINC001140467605 1131752055 /nfs/dbraw/zinc/75/20/55/1131752055.db2.gz ZGHPENKBQIEQCV-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(Cl)cc1[O-] ZINC001140467605 1131752059 /nfs/dbraw/zinc/75/20/59/1131752059.db2.gz ZGHPENKBQIEQCV-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN C[N@@H+](CCOc1ccccc1)Cc1ccc(Cl)cc1O ZINC001140466651 1131752220 /nfs/dbraw/zinc/75/22/20/1131752220.db2.gz JOBWVLVLUXSODF-UHFFFAOYSA-N 0 1 291.778 3.556 20 10 CHCDMN C[N@H+](CCOc1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001140466651 1131752228 /nfs/dbraw/zinc/75/22/28/1131752228.db2.gz JOBWVLVLUXSODF-UHFFFAOYSA-N 0 1 291.778 3.556 20 10 CHCDMN C[N@@H+](CCOc1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001140466651 1131752232 /nfs/dbraw/zinc/75/22/32/1131752232.db2.gz JOBWVLVLUXSODF-UHFFFAOYSA-N 0 1 291.778 3.556 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)[C@H]1C ZINC001140466459 1131752822 /nfs/dbraw/zinc/75/28/22/1131752822.db2.gz GKHMXCQJJMZCSA-QWRGUYRKSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])[C@H]1C ZINC001140466459 1131752824 /nfs/dbraw/zinc/75/28/24/1131752824.db2.gz GKHMXCQJJMZCSA-QWRGUYRKSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])[C@H]1C ZINC001140466459 1131752829 /nfs/dbraw/zinc/75/28/29/1131752829.db2.gz GKHMXCQJJMZCSA-QWRGUYRKSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@H](c1ccccn1)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835043623 1131763074 /nfs/dbraw/zinc/76/30/74/1131763074.db2.gz ADNRAIJETNOKQX-XITLMJRVSA-N 0 1 295.430 3.854 20 10 CHCDMN Cc1cc(Cl)ccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001141233972 1132054768 /nfs/dbraw/zinc/05/47/68/1132054768.db2.gz ZMHCPTOCXDIJIA-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN Cc1csc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC000038090557 1132112678 /nfs/dbraw/zinc/11/26/78/1132112678.db2.gz OAFMBJHKTPYCLL-ZYHUDNBSSA-N 0 1 288.416 3.804 20 10 CHCDMN COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000840834924 1132292386 /nfs/dbraw/zinc/29/23/86/1132292386.db2.gz BXORWWTVASCCNA-KGLIPLIRSA-N 0 1 287.403 3.869 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCc2nccs2)c(Cl)c1 ZINC000840900898 1132305684 /nfs/dbraw/zinc/30/56/84/1132305684.db2.gz YRGLTDJDGRRKIW-UHFFFAOYSA-N 0 1 296.823 3.533 20 10 CHCDMN CO[C@@]1(C)CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840940859 1132310494 /nfs/dbraw/zinc/31/04/94/1132310494.db2.gz IMWISPMLKBGPHA-INIZCTEOSA-N 0 1 297.826 3.745 20 10 CHCDMN CO[C@@]1(C)CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840940859 1132310501 /nfs/dbraw/zinc/31/05/01/1132310501.db2.gz IMWISPMLKBGPHA-INIZCTEOSA-N 0 1 297.826 3.745 20 10 CHCDMN Oc1ccc2ccccc2c1CN1CCC(F)(F)[C@@H](F)C1 ZINC001231587363 1132318654 /nfs/dbraw/zinc/31/86/54/1132318654.db2.gz ADUBTGPLRYJTQP-HNNXBMFYSA-N 0 1 295.304 3.725 20 10 CHCDMN CC1CC([N@H+](C)Cc2c([O-])ccc3ccccc32)C1 ZINC001231588280 1132319052 /nfs/dbraw/zinc/31/90/52/1132319052.db2.gz OTGCRYCFSLWLRI-UHFFFAOYSA-N 0 1 255.361 3.776 20 10 CHCDMN CC1CC([N@@H+](C)Cc2c([O-])ccc3ccccc32)C1 ZINC001231588280 1132319058 /nfs/dbraw/zinc/31/90/58/1132319058.db2.gz OTGCRYCFSLWLRI-UHFFFAOYSA-N 0 1 255.361 3.776 20 10 CHCDMN Cc1cc(C)c(CN2CCOC[C@@H]2c2ccccc2)c(O)c1 ZINC001231841920 1132376306 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20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc2ccccc21 ZINC001231878803 1132389476 /nfs/dbraw/zinc/38/94/76/1132389476.db2.gz UTRGFOLCMIPYHF-YJBOKZPZSA-N 0 1 297.398 3.546 20 10 CHCDMN COCC[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231881749 1132390354 /nfs/dbraw/zinc/39/03/54/1132390354.db2.gz HUXAVQQXMOLTRZ-QGZVFWFLSA-N 0 1 299.414 3.936 20 10 CHCDMN COCC[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231881749 1132390362 /nfs/dbraw/zinc/39/03/62/1132390362.db2.gz HUXAVQQXMOLTRZ-QGZVFWFLSA-N 0 1 299.414 3.936 20 10 CHCDMN [O-]c1c(C[NH+]2CC(c3cccnc3)C2)ccc2ccccc21 ZINC001231880975 1132391004 /nfs/dbraw/zinc/39/10/04/1132391004.db2.gz PFMKNTOIQSDNSQ-UHFFFAOYSA-N 0 1 290.366 3.540 20 10 CHCDMN C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231879267 1132391221 /nfs/dbraw/zinc/39/12/21/1132391221.db2.gz BDMJKBPZGMIGRU-WFASDCNBSA-N 0 1 273.351 3.725 20 10 CHCDMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231879267 1132391230 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[O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001142524662 1132403364 /nfs/dbraw/zinc/40/33/64/1132403364.db2.gz GATMBJYWVBOWCQ-ABAIWWIYSA-N 0 1 281.346 3.825 20 10 CHCDMN CC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232270165 1132446852 /nfs/dbraw/zinc/44/68/52/1132446852.db2.gz WGEUBNKYMJBXPF-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232270165 1132446856 /nfs/dbraw/zinc/44/68/56/1132446856.db2.gz WGEUBNKYMJBXPF-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1Cl ZINC001232264948 1132447019 /nfs/dbraw/zinc/44/70/19/1132447019.db2.gz PDNGOFVVJKSUEY-QWRGUYRKSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1Cl ZINC001232264948 1132447023 /nfs/dbraw/zinc/44/70/23/1132447023.db2.gz PDNGOFVVJKSUEY-QWRGUYRKSA-N 0 1 283.799 3.675 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)cc1Cl ZINC001232267101 1132447118 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CHCDMN CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000842927347 1132476085 /nfs/dbraw/zinc/47/60/85/1132476085.db2.gz CHVPWNPJFPNAIE-XDTLVQLUSA-N 0 1 285.840 3.980 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1C ZINC001233078980 1132569258 /nfs/dbraw/zinc/56/92/58/1132569258.db2.gz QOLPTJGCXLSAEF-UHFFFAOYSA-N 0 1 291.341 3.919 20 10 CHCDMN CCC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000133583536 1132601681 /nfs/dbraw/zinc/60/16/81/1132601681.db2.gz PKRYOCSCGFENNN-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN C[N@@H+](Cc1c([O-])ccc(F)c1F)[C@@H]1CCc2ccccc21 ZINC001233336248 1132602946 /nfs/dbraw/zinc/60/29/46/1132602946.db2.gz FGOBGMQUSJEEAN-OAHLLOKOSA-N 0 1 289.325 3.790 20 10 CHCDMN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C(C)(C)C ZINC001233417837 1132617668 /nfs/dbraw/zinc/61/76/68/1132617668.db2.gz KKAOUCYLQCHWCA-UHFFFAOYSA-N 0 1 261.287 3.641 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC12CCCC2 ZINC001233452221 1132624438 /nfs/dbraw/zinc/62/44/38/1132624438.db2.gz OHIXVGXMHIYFKI-UHFFFAOYSA-N 0 1 285.309 3.930 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCC12CCCC2 ZINC001233452221 1132624443 /nfs/dbraw/zinc/62/44/43/1132624443.db2.gz OHIXVGXMHIYFKI-UHFFFAOYSA-N 0 1 285.309 3.930 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C2(CC2)C1 ZINC001233455190 1132625800 /nfs/dbraw/zinc/62/58/00/1132625800.db2.gz ACUHRMLCZPTYKU-JTQLQIEISA-N 0 1 285.309 3.785 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C2(CC2)C1 ZINC001233455190 1132625802 /nfs/dbraw/zinc/62/58/02/1132625802.db2.gz ACUHRMLCZPTYKU-JTQLQIEISA-N 0 1 285.309 3.785 20 10 CHCDMN C[N@H+](Cc1ccc(C(F)(F)F)cc1[O-])CC(C)(C)C ZINC001233454507 1132625942 /nfs/dbraw/zinc/62/59/42/1132625942.db2.gz WZIWNHOZSKPMOP-UHFFFAOYSA-N 0 1 275.314 3.889 20 10 CHCDMN C[N@@H+](Cc1ccc(C(F)(F)F)cc1[O-])CC(C)(C)C ZINC001233454507 1132625946 /nfs/dbraw/zinc/62/59/46/1132625946.db2.gz WZIWNHOZSKPMOP-UHFFFAOYSA-N 0 1 275.314 3.889 20 10 CHCDMN CCCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727864 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ZINC001159661623 1132884682 /nfs/dbraw/zinc/88/46/82/1132884682.db2.gz CPRYLNHYXAUMRT-UHFFFAOYSA-N 0 1 264.332 3.665 20 10 CHCDMN CCCC[NH+](CCCC)Cc1ccc(O)cc1[O-] ZINC001204278813 1133427153 /nfs/dbraw/zinc/42/71/53/1133427153.db2.gz KBEGVQILMRXUCE-UHFFFAOYSA-N 0 1 251.370 3.500 20 10 CHCDMN CC[N@H+](CCc1ccccn1)Cc1ccc(Cl)cc1[O-] ZINC001204736436 1133480401 /nfs/dbraw/zinc/48/04/01/1133480401.db2.gz LXMVJFLWNOWDOT-UHFFFAOYSA-N 0 1 290.794 3.505 20 10 CHCDMN CC[N@@H+](CCc1ccccn1)Cc1ccc(Cl)cc1[O-] ZINC001204736436 1133480404 /nfs/dbraw/zinc/48/04/04/1133480404.db2.gz LXMVJFLWNOWDOT-UHFFFAOYSA-N 0 1 290.794 3.505 20 10 CHCDMN CC[N@H+](CCSC)Cc1cc(Cl)c(C)cc1[O-] ZINC001206560698 1133718473 /nfs/dbraw/zinc/71/84/73/1133718473.db2.gz ULGFGHCYUOAPLC-UHFFFAOYSA-N 0 1 273.829 3.539 20 10 CHCDMN CC[N@@H+](CCSC)Cc1cc(Cl)c(C)cc1[O-] ZINC001206560698 1133718475 /nfs/dbraw/zinc/71/84/75/1133718475.db2.gz ULGFGHCYUOAPLC-UHFFFAOYSA-N 0 1 273.829 3.539 20 10 CHCDMN C[C@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C(C)(C)C 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ZINC000160564568 261218027 /nfs/dbraw/zinc/21/80/27/261218027.db2.gz YHPFUDYSBQGVSZ-ZDUSSCGKSA-N 0 1 272.392 3.759 20 10 CHCDMN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000184836374 262030747 /nfs/dbraw/zinc/03/07/47/262030747.db2.gz LFMARUWZJRDERY-LLVKDONJSA-N 0 1 291.778 3.905 20 10 CHCDMN C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000230669761 333320315 /nfs/dbraw/zinc/32/03/15/333320315.db2.gz PIUWDLMAGWQSDW-ZIAGYGMSSA-N 0 1 287.403 3.605 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc2ccccc2c1[O-] ZINC000296577965 334912515 /nfs/dbraw/zinc/91/25/15/334912515.db2.gz UBTPESOIDBLCAL-UONOGXRCSA-N 0 1 287.403 3.605 20 10 CHCDMN CCn1ccnc1[C@H]1CCCCN1Cc1cc(C)ccc1O ZINC000281087841 523558579 /nfs/dbraw/zinc/55/85/79/523558579.db2.gz JXNXVMZPIZNUOE-MRXNPFEDSA-N 0 1 299.418 3.644 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(C(F)F)CC1 ZINC000307883606 1118502307 /nfs/dbraw/zinc/50/23/07/1118502307.db2.gz XXOLAULGHXUPQA-UHFFFAOYSA-N 0 1 275.726 3.523 20 10 CHCDMN C[N@@H+](Cc1ccc(Cl)cc1[O-])CC1CC(F)(F)C1 ZINC001140464759 1118737761 /nfs/dbraw/zinc/73/77/61/1118737761.db2.gz BXBPKGBNYBYMEI-UHFFFAOYSA-N 0 1 275.726 3.523 20 10 CHCDMN C[N@H+](Cc1ccc(Cl)cc1[O-])CC1CC(F)(F)C1 ZINC001140464759 1118737766 /nfs/dbraw/zinc/73/77/66/1118737766.db2.gz BXBPKGBNYBYMEI-UHFFFAOYSA-N 0 1 275.726 3.523 20 10 CHCDMN C[C@H]([NH2+]C1CCC2(CC2)CC1)c1cc(F)ccc1[O-] ZINC000695731140 1120415159 /nfs/dbraw/zinc/41/51/59/1120415159.db2.gz QVBZTRXTXTYGEP-NSHDSACASA-N 0 1 263.356 3.905 20 10 CHCDMN CCCC[C@H](C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000312605951 1120493053 /nfs/dbraw/zinc/49/30/53/1120493053.db2.gz FITBRCDPWNZKAY-NSHDSACASA-N 0 1 281.371 3.744 20 10 CHCDMN Oc1c(F)c(F)ccc1CNc1ccccc1Cl ZINC000703216856 1121240200 /nfs/dbraw/zinc/24/02/00/1121240200.db2.gz OTQKGQXQKKAIGJ-UHFFFAOYSA-N 0 1 269.678 3.936 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775512060 1122633883 /nfs/dbraw/zinc/63/38/83/1122633883.db2.gz JVUDSRXNTLBBPB-UKRRQHHQSA-N 0 1 285.815 3.757 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775525736 1122645809 /nfs/dbraw/zinc/64/58/09/1122645809.db2.gz MWAFNMBVTKQVQQ-QKCSRTOESA-N 0 1 283.799 3.654 20 10 CHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000775714791 1122922186 /nfs/dbraw/zinc/92/21/86/1122922186.db2.gz UBZFGUNUEZZASX-LLVKDONJSA-N 0 1 287.856 3.927 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000850539155 1123287703 /nfs/dbraw/zinc/28/77/03/1123287703.db2.gz BEFXVKYZAOTNCQ-ZANVPECISA-N 0 1 253.773 3.885 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H](C)C1(F)F ZINC000862443419 1123810876 /nfs/dbraw/zinc/81/08/76/1123810876.db2.gz OWZJEDGKOZVMJV-AOOOYVTPSA-N 0 1 289.753 3.769 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215111 1131502705 /nfs/dbraw/zinc/50/27/05/1131502705.db2.gz HAUAMAPRBHWDRV-HNNXBMFYSA-N 0 1 297.851 3.765 20 10 CHCDMN Cc1ccc(C)c(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000846057810 1131679327 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CC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134906983 1125569492 /nfs/dbraw/zinc/56/94/92/1125569492.db2.gz LNKNZSJWWUEJPU-IUCAKERBSA-N 0 1 272.186 3.604 20 10 CHCDMN CO[C@](C)(C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841758566 1125598244 /nfs/dbraw/zinc/59/82/44/1125598244.db2.gz SVJUWWIZTTWIFG-MEBBXXQBSA-N 0 1 283.799 3.511 20 10 CHCDMN CC1(C)CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000218963097 1125667526 /nfs/dbraw/zinc/66/75/26/1125667526.db2.gz NRIWCHOCKXYWKZ-GFCCVEGCSA-N 0 1 298.224 3.823 20 10 CHCDMN CCC[N@@H+](Cc1ccc(COC)o1)Cc1ccccc1O ZINC000092704951 1125761512 /nfs/dbraw/zinc/76/15/12/1125761512.db2.gz PXETWRXVHSDLRP-UHFFFAOYSA-N 0 1 289.375 3.544 20 10 CHCDMN Cc1cccc(CN[C@@H](C)c2c(F)cccc2F)c1O ZINC000158112727 1126746657 /nfs/dbraw/zinc/74/66/57/1126746657.db2.gz PCHBXVQXMWJIBM-NSHDSACASA-N 0 1 277.314 3.830 20 10 CHCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCS1 ZINC000792164809 1130434931 /nfs/dbraw/zinc/43/49/31/1130434931.db2.gz FKEXMUGQSSCQRJ-SECBINFHSA-N 0 1 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C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1c([O-])cccc1Br ZINC000707138840 1118643418 /nfs/dbraw/zinc/64/34/18/1118643418.db2.gz IDDACCIGBWYJTL-OUAUKWLOSA-N 0 1 298.224 3.631 20 10 CHCDMN CC(C)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000780495424 1118712677 /nfs/dbraw/zinc/71/26/77/1118712677.db2.gz DTYNOFBEWKQLBQ-OAHLLOKOSA-N 0 1 284.403 3.808 20 10 CHCDMN CC(C)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000780495424 1118712679 /nfs/dbraw/zinc/71/26/79/1118712679.db2.gz DTYNOFBEWKQLBQ-OAHLLOKOSA-N 0 1 284.403 3.808 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+](Cc1ccco1)C1CC1 ZINC001140466137 1118745204 /nfs/dbraw/zinc/74/52/04/1118745204.db2.gz YLNHTZCFJNOQMR-UHFFFAOYSA-N 0 1 277.751 3.803 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001140466137 1118745209 /nfs/dbraw/zinc/74/52/09/1118745209.db2.gz YLNHTZCFJNOQMR-UHFFFAOYSA-N 0 1 277.751 3.803 20 10 CHCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000226160812 1119108140 /nfs/dbraw/zinc/10/81/40/1119108140.db2.gz BUQWTCVHMQURBA-UHIISALHSA-N 0 1 267.800 3.960 20 10 CHCDMN Cc1cnc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3C)s1 ZINC000230664075 1119413417 /nfs/dbraw/zinc/41/34/17/1119413417.db2.gz VEOXKQXTQDYYJK-JQWIXIFHSA-N 0 1 288.416 3.804 20 10 CHCDMN CSC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168786861 1119478338 /nfs/dbraw/zinc/47/83/38/1119478338.db2.gz NRIBYLOGNHYPPK-VXGBXAGGSA-N 0 1 275.417 3.948 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1cc(F)ccc1[O-] ZINC000694376814 1119891249 /nfs/dbraw/zinc/89/12/49/1119891249.db2.gz SGYNBUWCOUCRSC-JUFZMCDQSA-N 0 1 263.356 3.618 20 10 CHCDMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1O)c1cscn1 ZINC000850512207 1119964030 /nfs/dbraw/zinc/96/40/30/1119964030.db2.gz YGEJJQOOLYLYMB-DTWKUNHWSA-N 0 1 282.796 3.914 20 10 CHCDMN Fc1ccc(F)c(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921696850 1120134956 /nfs/dbraw/zinc/13/49/56/1120134956.db2.gz BFMMYEUGRAXWHP-UHFFFAOYSA-N 0 1 289.325 3.580 20 10 CHCDMN COc1cc([O-])c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001236804803 1128895821 /nfs/dbraw/zinc/89/58/21/1128895821.db2.gz ZXSNNIKFLKEUKA-QWRGUYRKSA-N 0 1 283.799 3.532 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000312026336 1120254960 /nfs/dbraw/zinc/25/49/60/1120254960.db2.gz XMGBFAVMFDTXIU-MQIPJXDCSA-N 0 1 255.361 3.995 20 10 CHCDMN CCC[C@H](C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000309875879 1120273217 /nfs/dbraw/zinc/27/32/17/1120273217.db2.gz SPZJFENVXTXVDM-JTQLQIEISA-N 0 1 286.213 3.681 20 10 CHCDMN Cc1cc(CN2C[C@@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000220294358 1120552338 /nfs/dbraw/zinc/55/23/38/1120552338.db2.gz GUGHSWIFABWSIF-UONOGXRCSA-N 0 1 291.435 3.607 20 10 CHCDMN CCN(CC)c1ccc(CNCc2ccc(C)o2)cc1F ZINC000066906397 1120812372 /nfs/dbraw/zinc/81/23/72/1120812372.db2.gz WWOMIHLZWCJVBG-UHFFFAOYSA-N 0 1 290.382 3.863 20 10 CHCDMN CC(C)N(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000054110884 1121119355 /nfs/dbraw/zinc/11/93/55/1121119355.db2.gz HUXXKNRFSWXDKH-CQSZACIVSA-N 0 1 286.419 3.536 20 10 CHCDMN C[C@@H]1CCCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000703198975 1121238252 /nfs/dbraw/zinc/23/82/52/1121238252.db2.gz ITMAVOOZSVZALS-LLVKDONJSA-N 0 1 298.224 3.777 20 10 CHCDMN Cc1cc(F)ccc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000095015916 1121250587 /nfs/dbraw/zinc/25/05/87/1121250587.db2.gz OGKNUUGOYPOXIT-UHFFFAOYSA-N 0 1 293.769 3.825 20 10 CHCDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2F)cn1 ZINC001137840058 1121443391 /nfs/dbraw/zinc/44/33/91/1121443391.db2.gz QGSNTCYFXCNWIS-MRXNPFEDSA-N 0 1 286.350 3.572 20 10 CHCDMN [O-]c1cccc(Br)c1C[NH2+]C1CC2(CCC2)C1 ZINC000706841931 1121443703 /nfs/dbraw/zinc/44/37/03/1121443703.db2.gz FFIDTKJEHHBQAL-UHFFFAOYSA-N 0 1 296.208 3.577 20 10 CHCDMN CCN(C)c1ccc(CN2CCOc3ccccc3C2)cc1 ZINC000773746614 1121790337 /nfs/dbraw/zinc/79/03/37/1121790337.db2.gz MPVBIPCLHARETH-UHFFFAOYSA-N 0 1 296.414 3.537 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccccc1 ZINC001180143167 1121952035 /nfs/dbraw/zinc/95/20/35/1121952035.db2.gz UYGMGNRSBXIGTN-BDJLRTHQSA-N 0 1 289.325 3.863 20 10 CHCDMN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181102182 1122033481 /nfs/dbraw/zinc/03/34/81/1122033481.db2.gz JNAVLPFLUDFZJQ-GWCFXTLKSA-N 0 1 253.773 3.666 20 10 CHCDMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181102182 1122033487 /nfs/dbraw/zinc/03/34/87/1122033487.db2.gz JNAVLPFLUDFZJQ-GWCFXTLKSA-N 0 1 253.773 3.666 20 10 CHCDMN CCCC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCC1 ZINC001181534273 1122062311 /nfs/dbraw/zinc/06/23/11/1122062311.db2.gz IHGSVLVJBLAZAB-OAHLLOKOSA-N 0 1 265.372 3.980 20 10 CHCDMN CSCc1ccc(CN2Cc3cccc(O)c3C2)cc1 ZINC001183455228 1122223965 /nfs/dbraw/zinc/22/39/65/1122223965.db2.gz RIGUITSCCVBMMC-UHFFFAOYSA-N 0 1 285.412 3.771 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)Cc2cccs2)c1O ZINC000273715847 1122245591 /nfs/dbraw/zinc/24/55/91/1122245591.db2.gz HENNZWFNNHTCBW-UHFFFAOYSA-N 0 1 297.807 3.748 20 10 CHCDMN CN(Cc1ccco1)Cc1ccc(N2CCCC2)cc1 ZINC001203278094 1122424478 /nfs/dbraw/zinc/42/44/78/1122424478.db2.gz ADRAKLCMTPEXDW-UHFFFAOYSA-N 0 1 270.376 3.512 20 10 CHCDMN CC[C@H]([NH2+]CCN1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775486887 1122616783 /nfs/dbraw/zinc/61/67/83/1122616783.db2.gz JANRDMBLZKETKV-HNNXBMFYSA-N 0 1 296.842 3.572 20 10 CHCDMN CC[C@@H]([NH2+]CCC1CC1)c1cc(Cl)ccc1[O-] ZINC000775525221 1122641920 /nfs/dbraw/zinc/64/19/20/1122641920.db2.gz FBRJDQNCOJVNMG-CYBMUJFWSA-N 0 1 253.773 3.886 20 10 CHCDMN CC[C@@H]([NH2+][C@H](COC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775524607 1122642787 /nfs/dbraw/zinc/64/27/87/1122642787.db2.gz SUMNAYVHOBBEDA-ZIAGYGMSSA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775525735 1122645850 /nfs/dbraw/zinc/64/58/50/1122645850.db2.gz MWAFNMBVTKQVQQ-OSMZGAPFSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccccc1O ZINC000775542513 1122655759 /nfs/dbraw/zinc/65/57/59/1122655759.db2.gz PWBDELBSTLHKPO-MRXNPFEDSA-N 0 1 294.358 3.536 20 10 CHCDMN C[C@@H]1SCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000775700991 1122911676 /nfs/dbraw/zinc/91/16/76/1122911676.db2.gz ABOJDZYLGHFVLE-IUCAKERBSA-N 0 1 289.803 3.511 20 10 CHCDMN Cc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000776175318 1123102539 /nfs/dbraw/zinc/10/25/39/1123102539.db2.gz PDECFWKUIBRGNL-UHFFFAOYSA-N 0 1 275.779 3.686 20 10 CHCDMN CCCC[C@H](CC)C[N@H+]1CCc2cccc(O)c2C1 ZINC001201568285 1123125641 /nfs/dbraw/zinc/12/56/41/1123125641.db2.gz QHGSNDCNOZANSS-AWEZNQCLSA-N 0 1 261.409 3.967 20 10 CHCDMN C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000850482347 1123273083 /nfs/dbraw/zinc/27/30/83/1123273083.db2.gz OSTMTGOYHZUXGY-VXGBXAGGSA-N 0 1 290.794 3.895 20 10 CHCDMN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850537329 1123288090 /nfs/dbraw/zinc/28/80/90/1123288090.db2.gz TUQDCHFCEXEFOX-UFBFGSQYSA-N 0 1 275.726 3.742 20 10 CHCDMN C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc2ccccc2c1[O-] ZINC000850544942 1123289237 /nfs/dbraw/zinc/28/92/37/1123289237.db2.gz KRSZEYYESRKFOK-UKRRQHHQSA-N 0 1 299.414 3.605 20 10 CHCDMN C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccccc1O ZINC000111236015 1123432435 /nfs/dbraw/zinc/43/24/35/1123432435.db2.gz VAVIKVXSYZLKAC-NSHDSACASA-N 0 1 277.314 3.863 20 10 CHCDMN C[C@@H]([NH2+]CCCOC(F)F)c1ccc2ccccc2c1[O-] ZINC000194030180 1129129716 /nfs/dbraw/zinc/12/97/16/1129129716.db2.gz ZAFGEMDWZFRCON-LLVKDONJSA-N 0 1 295.329 3.825 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc(Cl)ccc1[O-] ZINC000858577894 1123664730 /nfs/dbraw/zinc/66/47/30/1123664730.db2.gz SEIHRKBYSSUFOR-BDAKNGLRSA-N 0 1 282.796 3.914 20 10 CHCDMN [O-]c1c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)ccc2ccccc21 ZINC000862439109 1123809909 /nfs/dbraw/zinc/80/99/09/1123809909.db2.gz HZWNLSXJHVGUSP-FVQBIDKESA-N 0 1 267.372 3.824 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H](C)C1(F)F ZINC000862443419 1123810870 /nfs/dbraw/zinc/81/08/70/1123810870.db2.gz OWZJEDGKOZVMJV-AOOOYVTPSA-N 0 1 289.753 3.769 20 10 CHCDMN C/C=C/C[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000862550494 1123818971 /nfs/dbraw/zinc/81/89/71/1123818971.db2.gz MEJJDQYZMZVETL-XGACYXMMSA-N 0 1 275.392 3.579 20 10 CHCDMN C[C@H]([NH2+]Cc1cccnc1F)c1ccc2ccccc2c1[O-] ZINC000794834251 1123965215 /nfs/dbraw/zinc/96/52/15/1123965215.db2.gz HYXVKSXCIVUIIG-LBPRGKRZSA-N 0 1 296.345 3.930 20 10 CHCDMN CC[C@H]([NH2+]Cc1cccnc1F)c1cc(Cl)ccc1[O-] ZINC000794832714 1123969733 /nfs/dbraw/zinc/96/97/33/1123969733.db2.gz DCIUWIFRBXHMFV-ZDUSSCGKSA-N 0 1 294.757 3.821 20 10 CHCDMN COC1([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000840884902 1123997125 /nfs/dbraw/zinc/99/71/25/1123997125.db2.gz ROPBYZVIHFORGJ-GHMZBOCLSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@H]([NH2+]CC(C)(C)F)c1ccc(Br)cc1[O-] ZINC000866408688 1124064271 /nfs/dbraw/zinc/06/42/71/1124064271.db2.gz NQAIOTGYGKNJMX-QMMMGPOBSA-N 0 1 290.176 3.553 20 10 CHCDMN C[C@@H]([NH2+]CC(C)(C)F)c1ccc(Br)cc1[O-] ZINC000866408687 1124064280 /nfs/dbraw/zinc/06/42/80/1124064280.db2.gz NQAIOTGYGKNJMX-MRVPVSSYSA-N 0 1 290.176 3.553 20 10 CHCDMN CCC(CC)n1ccc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879650545 1125223858 /nfs/dbraw/zinc/22/38/58/1125223858.db2.gz GUOWEVWTXODHGQ-ZDUSSCGKSA-N 0 1 287.407 3.801 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000211470142 1125306787 /nfs/dbraw/zinc/30/67/87/1125306787.db2.gz XOXFXVWVMDAPGB-FZMZJTMJSA-N 0 1 265.784 3.810 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000211470142 1125306788 /nfs/dbraw/zinc/30/67/88/1125306788.db2.gz XOXFXVWVMDAPGB-FZMZJTMJSA-N 0 1 265.784 3.810 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000211661107 1125315114 /nfs/dbraw/zinc/31/51/14/1125315114.db2.gz OFBKEOORXAFINP-DTORHVGOSA-N 0 1 274.191 3.787 20 10 CHCDMN Cc1cc(O)c(CN2CCOC3(CCC3)C2)cc1C(C)C ZINC000129679395 1125346048 /nfs/dbraw/zinc/34/60/48/1125346048.db2.gz FQHQBOFTMAIGDA-UHFFFAOYSA-N 0 1 289.419 3.579 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cc(Cl)ccc1[O-] ZINC000883357959 1125401207 /nfs/dbraw/zinc/40/12/07/1125401207.db2.gz YKHJOTCSVMHVIV-DGCLKSJQSA-N 0 1 295.810 3.798 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cc(Cl)ccc1[O-] ZINC000883357960 1125401293 /nfs/dbraw/zinc/40/12/93/1125401293.db2.gz YKHJOTCSVMHVIV-WCQYABFASA-N 0 1 295.810 3.798 20 10 CHCDMN Cc1ccc(O)c(CN[C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883383091 1125406807 /nfs/dbraw/zinc/40/68/07/1125406807.db2.gz SSXNJFOEZHXEHZ-SJLPKXTDSA-N 0 1 285.362 3.816 20 10 CHCDMN C[N@@H+](Cc1cccc(Br)c1[O-])C1CCCCC1 ZINC000131740823 1125409919 /nfs/dbraw/zinc/40/99/19/1125409919.db2.gz OEVADAAXSGEARU-UHFFFAOYSA-N 0 1 298.224 3.919 20 10 CHCDMN C[C@H]1C[C@H](C)C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000131805378 1125410240 /nfs/dbraw/zinc/41/02/40/1125410240.db2.gz BOROYMXAMWCWCW-QWRGUYRKSA-N 0 1 253.773 3.524 20 10 CHCDMN Cc1cccc2c1CN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139669792 1131357190 /nfs/dbraw/zinc/35/71/90/1131357190.db2.gz OEFDMNNYWXKMGB-UHFFFAOYSA-N 0 1 280.415 3.885 20 10 CHCDMN C[C@H](NCc1ccccc1O)c1c(F)cccc1F ZINC000037771751 1129267269 /nfs/dbraw/zinc/26/72/69/1129267269.db2.gz KMIIVAJHLRGZAO-JTQLQIEISA-N 0 1 263.287 3.521 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc(F)ccc1[O-] ZINC000282671431 1129278691 /nfs/dbraw/zinc/27/86/91/1129278691.db2.gz JESPQTRCTFVDNI-MLGOLLRUSA-N 0 1 293.382 3.531 20 10 CHCDMN CCOc1cccc(C[N@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000092780976 1129407401 /nfs/dbraw/zinc/40/74/01/1129407401.db2.gz BXOMGDPRVFVJSN-OAHLLOKOSA-N 0 1 275.392 3.555 20 10 CHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1CCC1 ZINC000743874183 1129543405 /nfs/dbraw/zinc/54/34/05/1129543405.db2.gz VOXYVXAVLUHBBO-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1CCC1 ZINC000743874183 1129543408 /nfs/dbraw/zinc/54/34/08/1129543408.db2.gz VOXYVXAVLUHBBO-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN CCN(CC)c1ccc(CN(C)Cc2cnccc2C)cc1 ZINC000746297366 1129630406 /nfs/dbraw/zinc/63/04/06/1129630406.db2.gz VSVLCZZWTHNQRQ-UHFFFAOYSA-N 0 1 297.446 3.868 20 10 CHCDMN CC[C@H](NCc1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000766607011 1129703142 /nfs/dbraw/zinc/70/31/42/1129703142.db2.gz FVPWNFYLNYLYGK-KRWDZBQOSA-N 0 1 287.382 3.528 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000380720264 1129832229 /nfs/dbraw/zinc/83/22/29/1129832229.db2.gz ABNNNJIWDZAVHW-BDAKNGLRSA-N 0 1 274.191 3.929 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC000768139539 1129835840 /nfs/dbraw/zinc/83/58/40/1129835840.db2.gz REJGVDARXUWFAG-UHFFFAOYSA-N 0 1 298.770 3.718 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000381327063 1129837780 /nfs/dbraw/zinc/83/77/80/1129837780.db2.gz RLBYDOWJDMBQOD-HOTUBEGUSA-N 0 1 284.197 3.604 20 10 CHCDMN COc1cccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1O ZINC000768319339 1129851229 /nfs/dbraw/zinc/85/12/29/1129851229.db2.gz MXDGGVJFPVXAIZ-MRXNPFEDSA-N 0 1 289.419 3.946 20 10 CHCDMN CCCCC[N@@H+](Cc1c(O)cccc1OC)C(C)C ZINC000768334092 1129851351 /nfs/dbraw/zinc/85/13/51/1129851351.db2.gz LCEXZFNETNJYGN-UHFFFAOYSA-N 0 1 265.397 3.801 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000768360232 1129853461 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[O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000771937463 1129996906 /nfs/dbraw/zinc/99/69/06/1129996906.db2.gz CXTGRLUJJFRIQS-HNNXBMFYSA-N 0 1 273.763 3.993 20 10 CHCDMN CC[C@H](N[C@H](c1ncccn1)C1CC1)c1ccc(C)cc1O ZINC000903321758 1130154551 /nfs/dbraw/zinc/15/45/51/1130154551.db2.gz BVTZBPPWDQHXRP-RDJZCZTQSA-N 0 1 297.402 3.683 20 10 CHCDMN Cc1ccc([C@@H](C)N[C@H](c2ncccn2)C2CC2)c(O)c1C ZINC000903327364 1130156411 /nfs/dbraw/zinc/15/64/11/1130156411.db2.gz SDNMTWQPWPRFOV-CJNGLKHVSA-N 0 1 297.402 3.601 20 10 CHCDMN CC[C@@H]([NH2+]CCOC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000788978947 1130223650 /nfs/dbraw/zinc/22/36/50/1130223650.db2.gz CJXOREGVTXDARD-SNVBAGLBSA-N 0 1 297.704 3.623 20 10 CHCDMN CC(C)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000748791990 1130246422 /nfs/dbraw/zinc/24/64/22/1130246422.db2.gz KHSYCYSRCNKUTG-HNNXBMFYSA-N 0 1 284.403 3.951 20 10 CHCDMN CC(C)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000748791990 1130246427 /nfs/dbraw/zinc/24/64/27/1130246427.db2.gz KHSYCYSRCNKUTG-HNNXBMFYSA-N 0 1 284.403 3.951 20 10 CHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000792167573 1130436495 /nfs/dbraw/zinc/43/64/95/1130436495.db2.gz KQVLKWKWUMPJQZ-SNVBAGLBSA-N 0 1 295.741 3.767 20 10 CHCDMN CC[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])CCO1 ZINC001170183406 1130454697 /nfs/dbraw/zinc/45/46/97/1130454697.db2.gz RPTFBACVKUCCBC-IAGOWNOFSA-N 0 1 285.387 3.593 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC[C@@]2(C)CC2(F)F)cc1Cl ZINC000827260826 1130530076 /nfs/dbraw/zinc/53/00/76/1130530076.db2.gz RSUDHRLEAIGHDT-ZDUSSCGKSA-N 0 1 289.753 3.879 20 10 CHCDMN C[C@@H]1C[C@@H](C)N1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793220161 1130530859 /nfs/dbraw/zinc/53/08/59/1130530859.db2.gz KQWJGVZTTRYELJ-GHMZBOCLSA-N 0 1 286.341 3.754 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])CC1CCC1 ZINC000793353831 1130543298 /nfs/dbraw/zinc/54/32/98/1130543298.db2.gz WGHAVPPFEFFJAK-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])CC1CCC1 ZINC000793353831 1130543301 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296.208 3.531 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Br)C[C@@H]1CC1(C)C ZINC001140101085 1131664611 /nfs/dbraw/zinc/66/46/11/1131664611.db2.gz JPQZLKXMTBCJDU-JTQLQIEISA-N 0 1 298.224 3.633 20 10 CHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC12CCCC2 ZINC000845999954 1131677064 /nfs/dbraw/zinc/67/70/64/1131677064.db2.gz MGFJSBZDXRICKC-UHFFFAOYSA-N 0 1 296.208 3.673 20 10 CHCDMN CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CS1 ZINC000846054485 1131685119 /nfs/dbraw/zinc/68/51/19/1131685119.db2.gz BZEKFQFHSNGLNZ-TZMCWYRMSA-N 0 1 285.840 3.665 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC000846117848 1131688229 /nfs/dbraw/zinc/68/82/29/1131688229.db2.gz RWJPIGWUHHHBAE-CYBMUJFWSA-N 0 1 287.737 3.585 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC000846117848 1131688232 /nfs/dbraw/zinc/68/82/32/1131688232.db2.gz RWJPIGWUHHHBAE-CYBMUJFWSA-N 0 1 287.737 3.585 20 10 CHCDMN COc1cccc([C@@H](C)N[C@@H](C)c2nc(C)cs2)c1O ZINC000846146676 1131694942 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CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000834904266 1131728661 /nfs/dbraw/zinc/72/86/61/1131728661.db2.gz NWGCZSIDSYVMNM-ZDUSSCGKSA-N 0 1 299.842 3.883 20 10 CHCDMN C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cc(F)ccc1[O-] ZINC000834906195 1131728749 /nfs/dbraw/zinc/72/87/49/1131728749.db2.gz NPNWDIVEUCYPRD-GFCCVEGCSA-N 0 1 295.398 3.513 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1COCC1(C)C)c1cc(Cl)ccc1[O-] ZINC000834905776 1131728879 /nfs/dbraw/zinc/72/88/79/1131728879.db2.gz WLOLUZLVYDYMRJ-GXTWGEPZSA-N 0 1 283.799 3.511 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001140464124 1131750537 /nfs/dbraw/zinc/75/05/37/1131750537.db2.gz CIFNWKQUCMGFOH-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001140464124 1131750541 /nfs/dbraw/zinc/75/05/41/1131750541.db2.gz CIFNWKQUCMGFOH-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN CN(C)c1ccc(/C=C\CNCc2ccc(Cl)o2)cc1 ZINC000835033342 1131760443 /nfs/dbraw/zinc/76/04/43/1131760443.db2.gz SKRIHLPAMOWHBQ-ARJAWSKDSA-N 0 1 290.794 3.802 20 10 CHCDMN Cc1noc(C)c1[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835040235 1131762361 /nfs/dbraw/zinc/76/23/61/1131762361.db2.gz OICSMSZYKAAAFB-YBJDMEARSA-N 0 1 299.418 3.721 20 10 CHCDMN C[C@@H](c1ccccn1)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835043619 1131762874 /nfs/dbraw/zinc/76/28/74/1131762874.db2.gz ADNRAIJETNOKQX-PTZVLDCSSA-N 0 1 295.430 3.854 20 10 CHCDMN CC[N@@H+](Cc1cccc(F)c1)Cc1c([O-])cc(F)cc1F ZINC001140584534 1131809886 /nfs/dbraw/zinc/80/98/86/1131809886.db2.gz VXQWUSLGHWKILO-UHFFFAOYSA-N 0 1 295.304 3.832 20 10 CHCDMN CCc1ccc(C[N@@H+](C)Cc2c([O-])cc(F)cc2F)cc1 ZINC001140584170 1131810212 /nfs/dbraw/zinc/81/02/12/1131810212.db2.gz GXDBCUSFNVSLCS-UHFFFAOYSA-N 0 1 291.341 3.865 20 10 CHCDMN Cc1ccc(O)c(CN(CC(=O)c2ccccc2)C(C)C)c1 ZINC001140622735 1131831575 /nfs/dbraw/zinc/83/15/75/1131831575.db2.gz FDOZNTCBSGPKIG-UHFFFAOYSA-N 0 1 297.398 3.794 20 10 CHCDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(F)C2)c(O)c1 ZINC001140850083 1131945888 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COCC[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000840834925 1132291610 /nfs/dbraw/zinc/29/16/10/1132291610.db2.gz BXORWWTVASCCNA-UONOGXRCSA-N 0 1 287.403 3.869 20 10 CHCDMN CCOC1(C)CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840948894 1132311635 /nfs/dbraw/zinc/31/16/35/1132311635.db2.gz ZDVBLJKUBWNBRQ-UHFFFAOYSA-N 0 1 297.826 3.745 20 10 CHCDMN CCc1nc(C)c(CNCc2c(O)cc(C)cc2Cl)o1 ZINC000840949902 1132311873 /nfs/dbraw/zinc/31/18/73/1132311873.db2.gz FKSRPLSNWDQCNW-UHFFFAOYSA-N 0 1 294.782 3.503 20 10 CHCDMN Cc1cc2c(cn1)CN(Cc1c(O)ccc3ccccc31)C2 ZINC001231590576 1132319707 /nfs/dbraw/zinc/31/97/07/1132319707.db2.gz ICBQKEYBHVPKKB-UHFFFAOYSA-N 0 1 290.366 3.765 20 10 CHCDMN CCCc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC001142367044 1132375440 /nfs/dbraw/zinc/37/54/40/1132375440.db2.gz DPLQNFMHJIUFOB-UHFFFAOYSA-N 0 1 269.388 3.977 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC001231870239 1132384781 /nfs/dbraw/zinc/38/47/81/1132384781.db2.gz PKTZHBOMZVUJQF-PHIMTYICSA-N 0 1 267.800 3.832 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC001231870239 1132384786 /nfs/dbraw/zinc/38/47/86/1132384786.db2.gz PKTZHBOMZVUJQF-PHIMTYICSA-N 0 1 267.800 3.832 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H]1CCCO1 ZINC000841751118 1132390296 /nfs/dbraw/zinc/39/02/96/1132390296.db2.gz KSSUWMXDEQKTJG-XEGUGMAKSA-N 0 1 283.799 3.654 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc2ccccc21 ZINC001231878800 1132390573 /nfs/dbraw/zinc/39/05/73/1132390573.db2.gz UTRGFOLCMIPYHF-CRAIPNDOSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc2ccccc21 ZINC001231878800 1132390581 /nfs/dbraw/zinc/39/05/81/1132390581.db2.gz UTRGFOLCMIPYHF-CRAIPNDOSA-N 0 1 297.398 3.546 20 10 CHCDMN Cc1cnc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841749009 1132390766 /nfs/dbraw/zinc/39/07/66/1132390766.db2.gz CPKQEZQZQXNGGO-VIFPVBQESA-N 0 1 282.796 3.661 20 10 CHCDMN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231883123 1132391070 /nfs/dbraw/zinc/39/10/70/1132391070.db2.gz YQLATMWROJIXPO-QGZVFWFLSA-N 0 1 299.414 3.935 20 10 CHCDMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231883123 1132391078 /nfs/dbraw/zinc/39/10/78/1132391078.db2.gz YQLATMWROJIXPO-QGZVFWFLSA-N 0 1 299.414 3.935 20 10 CHCDMN CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841757617 1132394431 /nfs/dbraw/zinc/39/44/31/1132394431.db2.gz NVVNWVJBYUUVKB-RTXFEEFZSA-N 0 1 283.799 3.652 20 10 CHCDMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001231914848 1132399516 /nfs/dbraw/zinc/39/95/16/1132399516.db2.gz RYSKAOFOBVIHPD-LBPRGKRZSA-N 0 1 287.790 3.992 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000842616010 1132444365 /nfs/dbraw/zinc/44/43/65/1132444365.db2.gz FRSQWBBLWNGSCX-YOEHRIQHSA-N 0 1 282.387 3.705 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000842616010 1132444367 /nfs/dbraw/zinc/44/43/67/1132444367.db2.gz FRSQWBBLWNGSCX-YOEHRIQHSA-N 0 1 282.387 3.705 20 10 CHCDMN COc1cc([O-])c(C[N@@H+](C)CC(C)(C)C)cc1Cl ZINC001232264865 1132447089 /nfs/dbraw/zinc/44/70/89/1132447089.db2.gz NGQLLIGDSXTOOX-UHFFFAOYSA-N 0 1 271.788 3.532 20 10 CHCDMN COc1cc(O)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001232267781 1132447516 /nfs/dbraw/zinc/44/75/16/1132447516.db2.gz IXNUMNPLYOPKEG-NEPJUHHUSA-N 0 1 295.810 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001232267781 1132447518 /nfs/dbraw/zinc/44/75/18/1132447518.db2.gz IXNUMNPLYOPKEG-NEPJUHHUSA-N 0 1 295.810 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001232267781 1132447520 /nfs/dbraw/zinc/44/75/20/1132447520.db2.gz IXNUMNPLYOPKEG-NEPJUHHUSA-N 0 1 295.810 3.676 20 10 CHCDMN CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001173278294 1132453236 /nfs/dbraw/zinc/45/32/36/1132453236.db2.gz YTYWOGIOTCJFQE-MFKMUULPSA-N 0 1 298.224 3.823 20 10 CHCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC(F)F ZINC000842889895 1132474958 /nfs/dbraw/zinc/47/49/58/1132474958.db2.gz IHQGFFBBGPGGLU-IUCAKERBSA-N 0 1 277.742 3.988 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000842927888 1132477562 /nfs/dbraw/zinc/47/75/62/1132477562.db2.gz GOAOHEAGTICRAJ-HOTUBEGUSA-N 0 1 271.813 3.590 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@H](c3ccccc3)C2)ccc(F)c1F ZINC001233073638 1132569903 /nfs/dbraw/zinc/56/99/03/1132569903.db2.gz BPSDVRXBIQVLHT-ZDUSSCGKSA-N 0 1 289.325 3.660 20 10 CHCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])Cc1ccccc1Cl ZINC001233076748 1132570244 /nfs/dbraw/zinc/57/02/44/1132570244.db2.gz FJPKLCHCDCKVNB-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN CC(=O)[C@@H]1CCCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233286949 1132595162 /nfs/dbraw/zinc/59/51/62/1132595162.db2.gz PUVOHDMOUSXGNA-INIZCTEOSA-N 0 1 289.419 3.633 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418822 1132620849 /nfs/dbraw/zinc/62/08/49/1132620849.db2.gz XKYNKOWGDWXIHX-NSHDSACASA-N 0 1 273.298 3.785 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418821 1132621730 /nfs/dbraw/zinc/62/17/30/1132621730.db2.gz XKYNKOWGDWXIHX-LLVKDONJSA-N 0 1 273.298 3.785 20 10 CHCDMN CC[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452538 1132625460 /nfs/dbraw/zinc/62/54/60/1132625460.db2.gz AICKHVOWAKINIQ-VIFPVBQESA-N 0 1 261.287 3.641 20 10 CHCDMN CC[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452538 1132625466 /nfs/dbraw/zinc/62/54/66/1132625466.db2.gz AICKHVOWAKINIQ-VIFPVBQESA-N 0 1 261.287 3.641 20 10 CHCDMN CC[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454266 1132626564 /nfs/dbraw/zinc/62/65/64/1132626564.db2.gz NYICVVNSNBRAOF-GFCCVEGCSA-N 0 1 273.298 3.785 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454266 1132626568 /nfs/dbraw/zinc/62/65/68/1132626568.db2.gz NYICVVNSNBRAOF-GFCCVEGCSA-N 0 1 273.298 3.785 20 10 CHCDMN C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C1CCCC1 ZINC001233760334 1132674961 /nfs/dbraw/zinc/67/49/61/1132674961.db2.gz FGBWIKSPOTYQTI-UHFFFAOYSA-N 0 1 289.297 3.665 20 10 CHCDMN C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C1CCCC1 ZINC001233760334 1132674965 /nfs/dbraw/zinc/67/49/65/1132674965.db2.gz FGBWIKSPOTYQTI-UHFFFAOYSA-N 0 1 289.297 3.665 20 10 CHCDMN C[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C1CCCC1 ZINC001233760334 1132674969 /nfs/dbraw/zinc/67/49/69/1132674969.db2.gz FGBWIKSPOTYQTI-UHFFFAOYSA-N 0 1 289.297 3.665 20 10 CHCDMN Cc1cc(Nc2ccc(Cl)c(Cl)c2[O-])cc[nH+]1 ZINC001174656514 1132951895 /nfs/dbraw/zinc/95/18/95/1132951895.db2.gz PATSSNZYBBUZNU-UHFFFAOYSA-N 0 1 269.131 3.568 20 10 CHCDMN Cc1cc(C)c(CNc2ccc3c(n2)CCC3)c(O)c1 ZINC001160810230 1132982742 /nfs/dbraw/zinc/98/27/42/1132982742.db2.gz NRQCDUPGSZVMMS-UHFFFAOYSA-N 0 1 268.360 3.505 20 10 CHCDMN Cc1cc(C)c(CNc2ccc(C)c(C)n2)c(O)c1 ZINC001160810049 1132983131 /nfs/dbraw/zinc/98/31/31/1132983131.db2.gz ICNZPILIDIYTOZ-UHFFFAOYSA-N 0 1 256.349 3.633 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)[C@H]1C ZINC000252125972 1133185620 /nfs/dbraw/zinc/18/56/20/1133185620.db2.gz KBABVAXFGHJEAR-MNOVXSKESA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)[C@H]1C ZINC000252125972 1133185622 /nfs/dbraw/zinc/18/56/22/1133185622.db2.gz KBABVAXFGHJEAR-MNOVXSKESA-N 0 1 253.773 3.666 20 10 CHCDMN Oc1ccccc1CN1CCc2cccc(Cl)c2C1 ZINC001203558516 1133339850 /nfs/dbraw/zinc/33/98/50/1133339850.db2.gz LNBIPSWHVNODRY-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(O)cc1O ZINC001204277369 1133426624 /nfs/dbraw/zinc/42/66/24/1133426624.db2.gz BPBINDOTWJJDRN-NSHDSACASA-N 0 1 291.778 3.944 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C3CCC3)C2)cc1Cl ZINC001206284813 1133683176 /nfs/dbraw/zinc/68/31/76/1133683176.db2.gz DCLGWSZVJYXJJS-ZDUSSCGKSA-N 0 1 279.811 3.976 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C3CCC3)C2)cc1Cl ZINC001206284813 1133683178 /nfs/dbraw/zinc/68/31/78/1133683178.db2.gz DCLGWSZVJYXJJS-ZDUSSCGKSA-N 0 1 279.811 3.976 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCC12CCC2 ZINC001206516713 1133712954 /nfs/dbraw/zinc/71/29/54/1133712954.db2.gz CBELFWCLVSBLOS-CQSZACIVSA-N 0 1 265.784 3.858 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc2cnccc21 ZINC001206517510 1133713011 /nfs/dbraw/zinc/71/30/11/1133713011.db2.gz VEIMXVFZBXNAMP-UHFFFAOYSA-N 0 1 298.773 3.884 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC001206552018 1133717131 /nfs/dbraw/zinc/71/71/31/1133717131.db2.gz FFJDFPMTLXTAHM-HNNXBMFYSA-N 0 1 281.346 3.825 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCC23CC3)cc1Cl ZINC001207067656 1133764940 /nfs/dbraw/zinc/76/49/40/1133764940.db2.gz UAOVFKNNNLLNNH-CQSZACIVSA-N 0 1 265.784 3.776 20 10 CHCDMN Cc1noc(C)c1[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000316720409 1135169447 /nfs/dbraw/zinc/16/94/47/1135169447.db2.gz TXHPRQDBPSUDHL-GFCCVEGCSA-N 0 1 299.418 3.525 20 10 CHCDMN CCCC[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000019907045 170919179 /nfs/dbraw/zinc/91/91/79/170919179.db2.gz FGVUWZURKDFRCI-GFCCVEGCSA-N 0 1 286.213 3.996 20 10 CHCDMN CCN(CC)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000019919346 170927687 /nfs/dbraw/zinc/92/76/87/170927687.db2.gz ZYRQKMKGLNSUSU-CQSZACIVSA-N 0 1 286.419 3.538 20 10 CHCDMN CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185438906 262054645 /nfs/dbraw/zinc/05/46/45/262054645.db2.gz DDRSNLBTGONYTA-IGCXYCKISA-N 0 1 287.403 3.603 20 10 CHCDMN CCc1cnc(CN[C@@H](C)c2cc(C)ccc2O)s1 ZINC000185584158 262305584 /nfs/dbraw/zinc/30/55/84/262305584.db2.gz GUSNJNFJWSFNHA-NSHDSACASA-N 0 1 276.405 3.570 20 10 CHCDMN C[C@H]([NH2+]CCCCCCO)c1ccc2ccccc2c1[O-] ZINC000186231322 262312140 /nfs/dbraw/zinc/31/21/40/262312140.db2.gz SCVUYGCUTLIWEY-AWEZNQCLSA-N 0 1 287.403 3.749 20 10 CHCDMN COC[C@H](N[C@@H](C)c1cc(C)ccc1O)c1ccc(C)o1 ZINC000185630217 327841638 /nfs/dbraw/zinc/84/16/38/327841638.db2.gz XAZXRGUITUJXOT-ZFWWWQNUSA-N 0 1 289.375 3.640 20 10 CHCDMN C[C@H]([NH2+]CC1CC=CC1)c1cc(Br)ccc1[O-] ZINC000527946661 330294275 /nfs/dbraw/zinc/29/42/75/330294275.db2.gz IFHQXUOPSZWHNP-JTQLQIEISA-N 0 1 296.208 3.772 20 10 CHCDMN CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000230661820 333320045 /nfs/dbraw/zinc/32/00/45/333320045.db2.gz ZGBPQDYBECLOPU-FZKQIMNGSA-N 0 1 287.403 3.747 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000230667640 333320381 /nfs/dbraw/zinc/32/03/81/333320381.db2.gz CRXMAJSUWQSBDJ-DGCLKSJQSA-N 0 1 273.401 3.702 20 10 CHCDMN CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000040773765 519362956 /nfs/dbraw/zinc/36/29/56/519362956.db2.gz XCUWEMABAVJCCA-UKRRQHHQSA-N 0 1 287.403 3.603 20 10 CHCDMN CCc1nc(C)c(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000291910813 522208492 /nfs/dbraw/zinc/20/84/92/522208492.db2.gz MUFVZHAWZXWDGA-SECBINFHSA-N 0 1 294.782 3.755 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCSC1 ZINC000130564287 523170541 /nfs/dbraw/zinc/17/05/41/523170541.db2.gz VFSMZJSILNFZPJ-SNVBAGLBSA-N 0 1 292.231 3.636 20 10 CHCDMN COc1ccc(CN[C@@H](C)c2ccc(C)o2)cc1C ZINC000035052690 524074207 /nfs/dbraw/zinc/07/42/07/524074207.db2.gz WROIFMJYSSHVKE-ZDUSSCGKSA-N 0 1 259.349 3.756 20 10 CHCDMN C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000297411095 524200327 /nfs/dbraw/zinc/20/03/27/524200327.db2.gz UAZAZFQHMHOCTK-KBPBESRZSA-N 0 1 287.403 3.605 20 10 CHCDMN C[C@@H](Cc1ccsc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000049154913 524940184 /nfs/dbraw/zinc/94/01/84/524940184.db2.gz VBYXZGGIELBVNE-JTQLQIEISA-N 0 1 281.808 3.828 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCC1(F)F ZINC000291631127 525004665 /nfs/dbraw/zinc/00/46/65/525004665.db2.gz SIPKALIIXKTHMZ-SECBINFHSA-N 0 1 275.726 3.523 20 10 CHCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(Cl)cn1 ZINC000274964456 525525211 /nfs/dbraw/zinc/52/52/11/525525211.db2.gz XCOFRMIROYRSPF-GFCCVEGCSA-N 0 1 289.810 3.652 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000120214313 525684044 /nfs/dbraw/zinc/68/40/44/525684044.db2.gz HOGYPBKJNSSVOD-PWSUYJOCSA-N 0 1 283.799 3.654 20 10 CHCDMN CCC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1[O-] ZINC000213659507 1118818475 /nfs/dbraw/zinc/81/84/75/1118818475.db2.gz ISHDOSVEVVBIOQ-AWEZNQCLSA-N 0 1 263.381 3.555 20 10 CHCDMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(OC)cc1[O-] ZINC000213659507 1118818479 /nfs/dbraw/zinc/81/84/79/1118818479.db2.gz ISHDOSVEVVBIOQ-AWEZNQCLSA-N 0 1 263.381 3.555 20 10 CHCDMN CC(C)=CCC[NH2+]Cc1c([O-])cccc1Br ZINC000706883324 1121443836 /nfs/dbraw/zinc/44/38/36/1121443836.db2.gz MIXRDCNRLCKGSP-UHFFFAOYSA-N 0 1 284.197 3.601 20 10 CHCDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])C1CCCC1 ZINC001181655437 1122067669 /nfs/dbraw/zinc/06/76/69/1122067669.db2.gz JXXYLODFFBXCHN-UHFFFAOYSA-N 0 1 253.773 3.810 20 10 CHCDMN CC[C@H]([NH2+]CCc1ccns1)c1cc(Cl)ccc1[O-] ZINC000883247160 1125384214 /nfs/dbraw/zinc/38/42/14/1125384214.db2.gz BBWILZXOTIWHOX-ZDUSSCGKSA-N 0 1 296.823 3.786 20 10 CHCDMN Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001140467223 1131753098 /nfs/dbraw/zinc/75/30/98/1131753098.db2.gz QFWHVNPABZJTPG-SNVBAGLBSA-N 0 1 275.726 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001140467223 1131753104 /nfs/dbraw/zinc/75/31/04/1131753104.db2.gz QFWHVNPABZJTPG-SNVBAGLBSA-N 0 1 275.726 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001140467223 1131753108 /nfs/dbraw/zinc/75/31/08/1131753108.db2.gz QFWHVNPABZJTPG-SNVBAGLBSA-N 0 1 275.726 3.523 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC3CCC2CC3)cc1Cl ZINC001231870567 1132384731 /nfs/dbraw/zinc/38/47/31/1132384731.db2.gz JSABPTGNIJTRPW-UHFFFAOYSA-N 0 1 265.784 3.728 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC3CCC2CC3)cc1Cl ZINC001231870567 1132384736 /nfs/dbraw/zinc/38/47/36/1132384736.db2.gz JSABPTGNIJTRPW-UHFFFAOYSA-N 0 1 265.784 3.728 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000841749899 1132389139 /nfs/dbraw/zinc/38/91/39/1132389139.db2.gz JMPCZQXMDCFORQ-WCBMZHEXSA-N 0 1 275.726 3.884 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)[C@H](C)C1 ZINC000133736489 1132604281 /nfs/dbraw/zinc/60/42/81/1132604281.db2.gz SGLNQFCQLWLWRT-GHMZBOCLSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)[C@H](C)C1 ZINC000133736489 1132604284 /nfs/dbraw/zinc/60/42/84/1132604284.db2.gz SGLNQFCQLWLWRT-GHMZBOCLSA-N 0 1 253.773 3.666 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000884482666 1125567897 /nfs/dbraw/zinc/56/78/97/1125567897.db2.gz GEDKAKKDTFRYBR-KXBFYZLASA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000884482666 1125567903 /nfs/dbraw/zinc/56/79/03/1125567903.db2.gz GEDKAKKDTFRYBR-KXBFYZLASA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(Br)cccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539434 1125756861 /nfs/dbraw/zinc/75/68/61/1125756861.db2.gz TXEZRIZZTYOIJX-GWCFXTLKSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000800276621 1129862426 /nfs/dbraw/zinc/86/24/26/1129862426.db2.gz MVUVOEHWIVVRNA-JTQLQIEISA-N 0 1 289.753 3.961 20 10 CHCDMN CC[C@H]1CCCCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769456432 1129911958 /nfs/dbraw/zinc/91/19/58/1129911958.db2.gz JUYMAMRIFNPXCQ-ZDUSSCGKSA-N 0 1 263.381 3.555 20 10 CHCDMN CC[C@H]1CCCCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769456432 1129911960 /nfs/dbraw/zinc/91/19/60/1129911960.db2.gz JUYMAMRIFNPXCQ-ZDUSSCGKSA-N 0 1 263.381 3.555 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccc(Cl)cc1[O-] ZINC000903312135 1130151905 /nfs/dbraw/zinc/15/19/05/1130151905.db2.gz SORDFAGHZXGCKT-BDAKNGLRSA-N 0 1 282.796 3.914 20 10 CHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2cccc(F)c2)cc1 ZINC000302746175 1126740826 /nfs/dbraw/zinc/74/08/26/1126740826.db2.gz ZRGFRAZQKJBXFL-UHFFFAOYSA-N 0 1 272.367 3.524 20 10 CHCDMN COc1cc(C)ccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000151033633 1126749751 /nfs/dbraw/zinc/74/97/51/1126749751.db2.gz DOSFRWHORIIOQB-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN CC[C@@](C)(NCc1cc(F)ccc1O)c1nc(C)cs1 ZINC000180753451 1126847910 /nfs/dbraw/zinc/84/79/10/1126847910.db2.gz OZRLURSJEFRPEE-OAHLLOKOSA-N 0 1 294.395 3.711 20 10 CHCDMN C[C@H](C[N@@H+](C)Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000183252682 1126883749 /nfs/dbraw/zinc/88/37/49/1126883749.db2.gz UULWOYIJWNKPLK-SNVBAGLBSA-N 0 1 296.823 3.738 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc2ccccc2c1[O-] ZINC000187975012 1126917753 /nfs/dbraw/zinc/91/77/53/1126917753.db2.gz QPRHFEQVTDMZFN-JCKWVBRZSA-N 0 1 299.414 3.747 20 10 CHCDMN CSC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000814178878 1130834467 /nfs/dbraw/zinc/83/44/67/1130834467.db2.gz HAOUNACJIWYFHY-LLVKDONJSA-N 0 1 285.840 3.621 20 10 CHCDMN CSC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000814178878 1130834471 /nfs/dbraw/zinc/83/44/71/1130834471.db2.gz HAOUNACJIWYFHY-LLVKDONJSA-N 0 1 285.840 3.621 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)[C@H]1C ZINC001237123983 1131054154 /nfs/dbraw/zinc/05/41/54/1131054154.db2.gz IKRYUQCBZSSRCZ-ZJUUUORDSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)[C@H]1C ZINC001237123983 1131054158 /nfs/dbraw/zinc/05/41/58/1131054158.db2.gz IKRYUQCBZSSRCZ-ZJUUUORDSA-N 0 1 271.763 3.805 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)[C@H]1C ZINC001237123983 1131054163 /nfs/dbraw/zinc/05/41/63/1131054163.db2.gz IKRYUQCBZSSRCZ-ZJUUUORDSA-N 0 1 271.763 3.805 20 10 CHCDMN Cc1csc(CN[C@@H](C)c2c(C)cc(C)cc2O)n1 ZINC000284264029 1127179076 /nfs/dbraw/zinc/17/90/76/1127179076.db2.gz WLCYOFKNMMSRDP-LBPRGKRZSA-N 0 1 276.405 3.625 20 10 CHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000164788613 1127187301 /nfs/dbraw/zinc/18/73/01/1127187301.db2.gz ZYSUFLWDYJOBFS-AWEZNQCLSA-N 0 1 272.392 3.977 20 10 CHCDMN CCN(CC)c1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000164788733 1127186750 /nfs/dbraw/zinc/18/67/50/1127186750.db2.gz ZYSUFLWDYJOBFS-CQSZACIVSA-N 0 1 272.392 3.977 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C)cc1Br ZINC001237675779 1131126430 /nfs/dbraw/zinc/12/64/30/1131126430.db2.gz ARKJMKXJSUXCKV-LLVKDONJSA-N 0 1 298.224 3.838 20 10 CHCDMN COCCC(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000760894216 1127319428 /nfs/dbraw/zinc/31/94/28/1127319428.db2.gz KCVBADBSHFOUQG-AAEUAGOBSA-N 0 1 295.398 3.732 20 10 CHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000226562060 1127410768 /nfs/dbraw/zinc/41/07/68/1127410768.db2.gz FGOZTPPCEIGIGN-MRXNPFEDSA-N 0 1 271.335 3.868 20 10 CHCDMN C[NH+](C)Cc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000158046657 1127415865 /nfs/dbraw/zinc/41/58/65/1127415865.db2.gz LRPRXGBHLHVLPD-UHFFFAOYSA-N 0 1 290.794 3.719 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Br)CC(C)(C)C ZINC000707141342 1127652599 /nfs/dbraw/zinc/65/25/99/1127652599.db2.gz CPGNAPKBDAPEAR-UHFFFAOYSA-N 0 1 286.213 3.633 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Br)CC(C)(C)C ZINC000707141342 1127652601 /nfs/dbraw/zinc/65/26/01/1127652601.db2.gz CPGNAPKBDAPEAR-UHFFFAOYSA-N 0 1 286.213 3.633 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232270166 1127653753 /nfs/dbraw/zinc/65/37/53/1127653753.db2.gz WGEUBNKYMJBXPF-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN CC[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232270166 1127653755 /nfs/dbraw/zinc/65/37/55/1127653755.db2.gz WGEUBNKYMJBXPF-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232270166 1127653758 /nfs/dbraw/zinc/65/37/58/1127653758.db2.gz WGEUBNKYMJBXPF-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN Oc1cccc2c1[C@@H](NCc1nc(C3CC3)cs1)CC2 ZINC000297089250 1127688499 /nfs/dbraw/zinc/68/84/99/1127688499.db2.gz XEKDHNKXSUAYKA-LBPRGKRZSA-N 0 1 286.400 3.503 20 10 CHCDMN Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])no1 ZINC000375020294 1127924853 /nfs/dbraw/zinc/92/48/53/1127924853.db2.gz MSUMQZNDHNZJHY-AWEZNQCLSA-N 0 1 292.766 3.679 20 10 CHCDMN Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])no1 ZINC000375020294 1127924854 /nfs/dbraw/zinc/92/48/54/1127924854.db2.gz MSUMQZNDHNZJHY-AWEZNQCLSA-N 0 1 292.766 3.679 20 10 CHCDMN CCC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134898892 1128049778 /nfs/dbraw/zinc/04/97/78/1128049778.db2.gz ZGKCCWIXTGCDAM-VHSXEESVSA-N 0 1 286.213 3.994 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)C1CC1)c1cc(Br)ccc1[O-] ZINC000134911296 1128115787 /nfs/dbraw/zinc/11/57/87/1128115787.db2.gz ODLPJSHVCBVSKT-RKDXNWHRSA-N 0 1 284.197 3.604 20 10 CHCDMN Cc1cccc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000917487175 1128501864 /nfs/dbraw/zinc/50/18/64/1128501864.db2.gz UFJLZPFZQATAKM-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN Cc1cccc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000917487175 1128501866 /nfs/dbraw/zinc/50/18/66/1128501866.db2.gz UFJLZPFZQATAKM-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN C[C@@H]1c2c(F)cccc2CCN1Cc1cc(F)ccc1O ZINC000779020213 1128683411 /nfs/dbraw/zinc/68/34/11/1128683411.db2.gz KEAFAGRMOGOHEB-LLVKDONJSA-N 0 1 289.325 3.790 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)[C@H]1c1ccccc1 ZINC000779034655 1128691642 /nfs/dbraw/zinc/69/16/42/1128691642.db2.gz ZEMIKUJOUFPOHF-SJKOYZFVSA-N 0 1 271.335 3.724 20 10 CHCDMN CCN(CC)c1ccc(CNCc2cccc(C)n2)cc1 ZINC000048329588 1128699282 /nfs/dbraw/zinc/69/92/82/1128699282.db2.gz ZZCNEEZZSWTPBW-UHFFFAOYSA-N 0 1 283.419 3.526 20 10 CHCDMN CCc1nc(CN[C@@H](C)c2cc(C)ccc2O)cs1 ZINC000185397055 1117819626 /nfs/dbraw/zinc/81/96/26/1117819626.db2.gz GEBNBUUIQQDDGL-NSHDSACASA-N 0 1 276.405 3.570 20 10 CHCDMN C[C@@H]1CCCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000705477087 1117973370 /nfs/dbraw/zinc/97/33/70/1117973370.db2.gz LJZWTYPWCPJRRZ-LLVKDONJSA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@@H]1CCCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000705477087 1117973374 /nfs/dbraw/zinc/97/33/74/1117973374.db2.gz LJZWTYPWCPJRRZ-LLVKDONJSA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000211466085 1118055760 /nfs/dbraw/zinc/05/57/60/1118055760.db2.gz ZJDJPIJELGPYKP-LLVKDONJSA-N 0 1 298.224 3.777 20 10 CHCDMN C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179663753 1128753819 /nfs/dbraw/zinc/75/38/19/1128753819.db2.gz MVMQSBLATFQPPP-MRVPVSSYSA-N 0 1 292.231 3.636 20 10 CHCDMN C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1cc(F)ccc1[O-] ZINC000186156635 1118199363 /nfs/dbraw/zinc/19/93/63/1118199363.db2.gz OPMXZRKDSQGKKP-LLVKDONJSA-N 0 1 263.356 3.762 20 10 CHCDMN CCOc1ccc(O)c(C[N@@H+](C)Cc2cccc(F)c2)c1 ZINC000160469285 1118431039 /nfs/dbraw/zinc/43/10/39/1118431039.db2.gz HLHJTKQWQAJMLJ-UHFFFAOYSA-N 0 1 289.350 3.562 20 10 CHCDMN C[C@@H]([NH2+]CCC1CC1)c1ccc2ccccc2c1[O-] ZINC000088454733 1118520251 /nfs/dbraw/zinc/52/02/51/1118520251.db2.gz OJLMTNLAWZEVAX-GFCCVEGCSA-N 0 1 255.361 3.996 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000128029104 1118578338 /nfs/dbraw/zinc/57/83/38/1118578338.db2.gz UTSZLSGJXVBMKI-PHIMTYICSA-N 0 1 253.773 3.809 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000128029104 1118578343 /nfs/dbraw/zinc/57/83/43/1118578343.db2.gz UTSZLSGJXVBMKI-PHIMTYICSA-N 0 1 253.773 3.809 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Br)CC1CCCC1 ZINC000707152547 1118651755 /nfs/dbraw/zinc/65/17/55/1118651755.db2.gz OFBSEHATKAYAPF-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Br)CC1CCCC1 ZINC000707152547 1118651754 /nfs/dbraw/zinc/65/17/54/1118651754.db2.gz OFBSEHATKAYAPF-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)s1 ZINC000083551942 1118702567 /nfs/dbraw/zinc/70/25/67/1118702567.db2.gz QTVHKYYAVZEZHR-UHFFFAOYSA-N 0 1 267.781 3.705 20 10 CHCDMN CC1(C)C[N@H+](Cc2ccc(Cl)cc2[O-])CCC1(F)F ZINC001140462826 1118721281 /nfs/dbraw/zinc/72/12/81/1118721281.db2.gz LQSAPEIZCMYZCW-UHFFFAOYSA-N 0 1 289.753 3.913 20 10 CHCDMN CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[O-])CCC1(F)F ZINC001140462826 1118721284 /nfs/dbraw/zinc/72/12/84/1118721284.db2.gz LQSAPEIZCMYZCW-UHFFFAOYSA-N 0 1 289.753 3.913 20 10 CHCDMN COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001140463089 1118721783 /nfs/dbraw/zinc/72/17/83/1118721783.db2.gz SCSQEVFHLXCKNC-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001140463089 1118721787 /nfs/dbraw/zinc/72/17/87/1118721787.db2.gz SCSQEVFHLXCKNC-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001140463089 1118721790 /nfs/dbraw/zinc/72/17/90/1118721790.db2.gz SCSQEVFHLXCKNC-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140465218 1118739481 /nfs/dbraw/zinc/73/94/81/1118739481.db2.gz IOKNLQFAHVTCOC-QWRGUYRKSA-N 0 1 253.773 3.524 20 10 CHCDMN CC1(C)CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000226565725 1119161873 /nfs/dbraw/zinc/16/18/73/1119161873.db2.gz KDHVGUORLWZQDJ-UHFFFAOYSA-N 0 1 251.345 3.543 20 10 CHCDMN Cc1csc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000383352234 1119278596 /nfs/dbraw/zinc/27/85/96/1119278596.db2.gz UWBHFFBEBXZXEE-UHFFFAOYSA-N 0 1 267.781 3.705 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708764969 1119806046 /nfs/dbraw/zinc/80/60/46/1119806046.db2.gz JPSBVDQRACSDTL-CQSZACIVSA-N 0 1 277.383 3.934 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708764963 1119806077 /nfs/dbraw/zinc/80/60/77/1119806077.db2.gz JPSBVDQRACSDTL-AWEZNQCLSA-N 0 1 277.383 3.934 20 10 CHCDMN Oc1ccccc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708868061 1120040230 /nfs/dbraw/zinc/04/02/30/1120040230.db2.gz HNLMMZQAKBTRIK-HNNXBMFYSA-N 0 1 259.393 3.794 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cncs1 ZINC000903310819 1120081181 /nfs/dbraw/zinc/08/11/81/1120081181.db2.gz LNNVMHKFUKTLTM-DTWKUNHWSA-N 0 1 282.796 3.914 20 10 CHCDMN Oc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1O ZINC000225653644 1120248455 /nfs/dbraw/zinc/24/84/55/1120248455.db2.gz WADNADRSNCEAKR-UHFFFAOYSA-N 0 1 294.232 3.660 20 10 CHCDMN CCCO[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000124031230 1120639459 /nfs/dbraw/zinc/63/94/59/1120639459.db2.gz XRFCITUFCYQUGQ-ZDUSSCGKSA-N 0 1 297.826 3.827 20 10 CHCDMN CCCO[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000124031230 1120639461 /nfs/dbraw/zinc/63/94/61/1120639461.db2.gz XRFCITUFCYQUGQ-ZDUSSCGKSA-N 0 1 297.826 3.827 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC3(CCCC3)C2)c1[O-] ZINC000313920047 1120813790 /nfs/dbraw/zinc/81/37/90/1120813790.db2.gz DKRYVKFSIWENIL-UHFFFAOYSA-N 0 1 291.366 3.500 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000185538650 1120911879 /nfs/dbraw/zinc/91/18/79/1120911879.db2.gz GLQRBBFBPZODTN-LZWOXQAQSA-N 0 1 299.414 3.747 20 10 CHCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000162911738 1120946952 /nfs/dbraw/zinc/94/69/52/1120946952.db2.gz FFLOXTHCYPDINO-BDAKNGLRSA-N 0 1 274.191 3.929 20 10 CHCDMN CC1(C)CC(C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000701692661 1121164699 /nfs/dbraw/zinc/16/46/99/1121164699.db2.gz IYFMIFJHUYQRTD-UHFFFAOYSA-N 0 1 253.773 3.571 20 10 CHCDMN CCc1cc(NCc2ccc(F)c(F)c2O)ccc1F ZINC000703364790 1121250031 /nfs/dbraw/zinc/25/00/31/1121250031.db2.gz AGTPOSJFCDPQLT-UHFFFAOYSA-N 0 1 281.277 3.984 20 10 CHCDMN Cc1c(F)cccc1NCc1ccc(F)c(F)c1O ZINC000703396112 1121253354 /nfs/dbraw/zinc/25/33/54/1121253354.db2.gz XLXQNZFGKNVCIS-UHFFFAOYSA-N 0 1 267.250 3.730 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH+]1C2CCCC1CCC2 ZINC000707154388 1121450332 /nfs/dbraw/zinc/45/03/32/1121450332.db2.gz GLIUVCFADOYBBY-UHFFFAOYSA-N 0 1 265.784 3.953 20 10 CHCDMN C[C@@H](NCc1csc(C2CC2)n1)c1ccccc1O ZINC000708228057 1121464917 /nfs/dbraw/zinc/46/49/17/1121464917.db2.gz OQVHJRPLWWJWFV-SNVBAGLBSA-N 0 1 274.389 3.577 20 10 CHCDMN Cc1cc(CN2C[C@H](C)OC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000255956304 1121715620 /nfs/dbraw/zinc/71/56/20/1121715620.db2.gz GUGHSWIFABWSIF-KGLIPLIRSA-N 0 1 291.435 3.607 20 10 CHCDMN C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc2ccccc2c1[O-] ZINC000178874196 1121785286 /nfs/dbraw/zinc/78/52/86/1121785286.db2.gz SDIPNZBRPQGRSX-AWEZNQCLSA-N 0 1 299.414 3.749 20 10 CHCDMN COc1cncc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC001179325308 1121871586 /nfs/dbraw/zinc/87/15/86/1121871586.db2.gz TVEYKRJRSQNQDL-UHFFFAOYSA-N 0 1 299.157 3.715 20 10 CHCDMN CC1(C)CC[C@@H](CC[NH2+]Cc2c([O-])cccc2Cl)OC1 ZINC001179685395 1121898363 /nfs/dbraw/zinc/89/83/63/1121898363.db2.gz LUDXYLIGKTVHSQ-LBPRGKRZSA-N 0 1 297.826 3.731 20 10 CHCDMN CC[C@H](NCc1ccc(N(C)CC)cc1)c1nccs1 ZINC000773839017 1121951847 /nfs/dbraw/zinc/95/18/47/1121951847.db2.gz OQTGPGTTWKSRJA-HNNXBMFYSA-N 0 1 289.448 3.840 20 10 CHCDMN C=C/C=C/CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC001183581317 1122230792 /nfs/dbraw/zinc/23/07/92/1122230792.db2.gz FUMXXTFCIKSEDD-ONEGZZNKSA-N 0 1 253.345 3.767 20 10 CHCDMN CC1(C)CO[C@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC001183789225 1122238812 /nfs/dbraw/zinc/23/88/12/1122238812.db2.gz SVCKTAZVLZRYPM-MRXNPFEDSA-N 0 1 299.414 3.840 20 10 CHCDMN CC([NH2+]Cc1cc(Cl)ccc1[O-])(C1CC1)C1CC1 ZINC000691861812 1129064741 /nfs/dbraw/zinc/06/47/41/1129064741.db2.gz OQOGRGGQZCPELW-UHFFFAOYSA-N 0 1 265.784 3.714 20 10 CHCDMN CC[C@@H]([NH2+]CCc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775483239 1122615687 /nfs/dbraw/zinc/61/56/87/1122615687.db2.gz QENWCZDFISZNBN-CQSZACIVSA-N 0 1 279.767 3.922 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775485392 1122616790 /nfs/dbraw/zinc/61/67/90/1122616790.db2.gz SPNNFWLIYVTGIG-TVQRCGJNSA-N 0 1 253.773 3.885 20 10 CHCDMN CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1cc(Cl)ccc1[O-] ZINC000775487604 1122618291 /nfs/dbraw/zinc/61/82/91/1122618291.db2.gz LLMZOMKGQWCUTG-OAHLLOKOSA-N 0 1 290.794 3.990 20 10 CHCDMN CC[C@H]([NH2+]CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000775491172 1122619393 /nfs/dbraw/zinc/61/93/93/1122619393.db2.gz ZCLBQUKRGZXUSL-ZDUSSCGKSA-N 0 1 253.773 3.886 20 10 CHCDMN CC[C@@H](NCc1nccs1)c1cc(Cl)ccc1O ZINC000775494106 1122625076 /nfs/dbraw/zinc/62/50/76/1122625076.db2.gz YCSVTPJXQNXXTH-LLVKDONJSA-N 0 1 282.796 3.743 20 10 CHCDMN CC[C@@H]([NH2+]Cc1nccs1)c1cc(Cl)ccc1[O-] ZINC000775494106 1122625078 /nfs/dbraw/zinc/62/50/78/1122625078.db2.gz YCSVTPJXQNXXTH-LLVKDONJSA-N 0 1 282.796 3.743 20 10 CHCDMN CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503243 1122628848 /nfs/dbraw/zinc/62/88/48/1122628848.db2.gz DVLSFPRBHVSDPN-DZGCQCFKSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)CCOC)c1cc(Cl)ccc1[O-] ZINC000775501456 1122628960 /nfs/dbraw/zinc/62/89/60/1122628960.db2.gz QVRJOWNKZUAPET-GWCFXTLKSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Cl)ccc1[O-] ZINC000775512909 1122634314 /nfs/dbraw/zinc/63/43/14/1122634314.db2.gz SCOZMCYCJLEBIO-CXOJTPOUSA-N 0 1 297.826 3.780 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775514446 1122635877 /nfs/dbraw/zinc/63/58/77/1122635877.db2.gz VYIXVVXBXNGFON-XUJVJEKNSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775514447 1122635942 /nfs/dbraw/zinc/63/59/42/1122635942.db2.gz VYIXVVXBXNGFON-ZOWXZIJZSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@H]([NH2+]CC(C)(C)CCCO)c1cc(Cl)ccc1[O-] ZINC000775518678 1122637470 /nfs/dbraw/zinc/63/74/70/1122637470.db2.gz FYBPXSLTEVHDDL-AWEZNQCLSA-N 0 1 299.842 3.885 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775520200 1122638642 /nfs/dbraw/zinc/63/86/42/1122638642.db2.gz QPTMGIICLCGWGA-JMSVASOKSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775522610 1122639597 /nfs/dbraw/zinc/63/95/97/1122639597.db2.gz VPWFPNUDJNTOBV-OCCSQVGLSA-N 0 1 299.842 3.883 20 10 CHCDMN Cc1csc([C@H](C)N[C@@H](C)c2cc(C)ccc2O)n1 ZINC000080270202 1129079758 /nfs/dbraw/zinc/07/97/58/1129079758.db2.gz DUMGTTJHONUXDT-RYUDHWBXSA-N 0 1 276.405 3.877 20 10 CHCDMN C[N@H+](Cc1ccccc1[O-])CC(C)(C)c1ccccc1 ZINC000775656513 1122867879 /nfs/dbraw/zinc/86/78/79/1122867879.db2.gz VSRCDPBLHMEUBV-UHFFFAOYSA-N 0 1 269.388 3.802 20 10 CHCDMN C[N@@H+](Cc1ccccc1[O-])CC(C)(C)c1ccccc1 ZINC000775656513 1122867881 /nfs/dbraw/zinc/86/78/81/1122867881.db2.gz VSRCDPBLHMEUBV-UHFFFAOYSA-N 0 1 269.388 3.802 20 10 CHCDMN Cc1occc1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775660198 1122873185 /nfs/dbraw/zinc/87/31/85/1122873185.db2.gz CWJHYESMIHPYJR-UHFFFAOYSA-N 0 1 283.730 3.718 20 10 CHCDMN Cc1cc(Cl)cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000775702544 1122913323 /nfs/dbraw/zinc/91/33/23/1122913323.db2.gz RZDMJBLKPBJJJA-WDEREUQCSA-N 0 1 285.840 3.680 20 10 CHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000160202202 1122945437 /nfs/dbraw/zinc/94/54/37/1122945437.db2.gz RVJDREZTZXEXRJ-DOMZBBRYSA-N 0 1 263.356 3.686 20 10 CHCDMN C[C@H](c1ccccc1)N(CCF)Cc1ccccc1O ZINC000776004734 1123034701 /nfs/dbraw/zinc/03/47/01/1123034701.db2.gz WSZIBTXKOVQSTH-CQSZACIVSA-N 0 1 273.351 3.925 20 10 CHCDMN Fc1c(Cl)cccc1CNCc1ccc2c(c1)CCO2 ZINC001199934353 1123047804 /nfs/dbraw/zinc/04/78/04/1123047804.db2.gz UKCQTFDNSRJHRD-UHFFFAOYSA-N 0 1 291.753 3.704 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000776177305 1123102376 /nfs/dbraw/zinc/10/23/76/1123102376.db2.gz MJXVLHXGUCSQCG-CZUORRHYSA-N 0 1 287.790 3.766 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622450 1129106177 /nfs/dbraw/zinc/10/61/77/1129106177.db2.gz SCGDTOKYPYXICT-JTQLQIEISA-N 0 1 271.763 3.807 20 10 CHCDMN COC1CC(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000850482778 1123273496 /nfs/dbraw/zinc/27/34/96/1123273496.db2.gz RELDNBLJGDGVPB-XSRFYTQQSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@H]([NH2+][C@H]1C=CCC1)c1cc(Br)ccc1[O-] ZINC000850507207 1123276774 /nfs/dbraw/zinc/27/67/74/1123276774.db2.gz DOONKBVDHDCJHK-ONGXEEELSA-N 0 1 282.181 3.524 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000850523338 1123279723 /nfs/dbraw/zinc/27/97/23/1123279723.db2.gz GRWJSSJMLZZKPN-JSGCOSHPSA-N 0 1 295.810 3.798 20 10 CHCDMN C[C@@H]([NH2+]CCCOC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000850526945 1123281681 /nfs/dbraw/zinc/28/16/81/1123281681.db2.gz UBQVJZQBVBYWDX-LLVKDONJSA-N 0 1 285.815 3.901 20 10 CHCDMN CC[C@@H]([NH2+]CCc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000850531003 1123285302 /nfs/dbraw/zinc/28/53/02/1123285302.db2.gz GBIBCWHTNKNOAV-CQSZACIVSA-N 0 1 279.767 3.922 20 10 CHCDMN C[C@H]([NH2+]CCC(C)(C)F)c1cc(Cl)ccc1[O-] ZINC000850532601 1123286248 /nfs/dbraw/zinc/28/62/48/1123286248.db2.gz UVOMWFYLFFOSJM-VIFPVBQESA-N 0 1 259.752 3.834 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc(Cl)ccc1[O-] ZINC000850551330 1123290155 /nfs/dbraw/zinc/29/01/55/1123290155.db2.gz GWKBBFGIHAMHIO-QPUJVOFHSA-N 0 1 289.753 3.988 20 10 CHCDMN CN(Cc1ccccc1O)Cc1ccccc1Cl ZINC000109773262 1123326722 /nfs/dbraw/zinc/32/67/22/1123326722.db2.gz DGFJRKVJJZUEDX-UHFFFAOYSA-N 0 1 261.752 3.678 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@H](OC)C1 ZINC000852019037 1123393461 /nfs/dbraw/zinc/39/34/61/1123393461.db2.gz TUFNGHSRZSHVSR-HOTGVXAUSA-N 0 1 277.408 3.562 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@H](OC)C1 ZINC000852019037 1123393469 /nfs/dbraw/zinc/39/34/69/1123393469.db2.gz TUFNGHSRZSHVSR-HOTGVXAUSA-N 0 1 277.408 3.562 20 10 CHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@](C)(F)C2)c1 ZINC000840098890 1123460101 /nfs/dbraw/zinc/46/01/01/1123460101.db2.gz FJHANOXPUDDIBA-KRWDZBQOSA-N 0 1 295.398 3.719 20 10 CHCDMN CC[C@@H]1COCCN1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000738084052 1123518068 /nfs/dbraw/zinc/51/80/68/1123518068.db2.gz JTGDMTKJTTWKLK-OAHLLOKOSA-N 0 1 291.435 3.609 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc2ccccc21 ZINC000895848593 1123521328 /nfs/dbraw/zinc/52/13/28/1123521328.db2.gz SEKLUKUBRXQVRZ-CRAIPNDOSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc2ccccc21 ZINC000895848593 1123521331 /nfs/dbraw/zinc/52/13/31/1123521331.db2.gz SEKLUKUBRXQVRZ-CRAIPNDOSA-N 0 1 297.398 3.546 20 10 CHCDMN Cc1csc(C(C)(C)NCc2cc(Cl)ccc2O)n1 ZINC000116382818 1123674373 /nfs/dbraw/zinc/67/43/73/1123674373.db2.gz FQQDLIYMAXRLOF-UHFFFAOYSA-N 0 1 296.823 3.835 20 10 CHCDMN Cc1csc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000116382818 1123674376 /nfs/dbraw/zinc/67/43/76/1123674376.db2.gz FQQDLIYMAXRLOF-UHFFFAOYSA-N 0 1 296.823 3.835 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473452 1123812372 /nfs/dbraw/zinc/81/23/72/1123812372.db2.gz RDWNTFMXLGVCIZ-MNOVXSKESA-N 0 1 283.824 3.516 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473452 1123812379 /nfs/dbraw/zinc/81/23/79/1123812379.db2.gz RDWNTFMXLGVCIZ-MNOVXSKESA-N 0 1 283.824 3.516 20 10 CHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCC(F)(F)CC1 ZINC000862467698 1123813037 /nfs/dbraw/zinc/81/30/37/1123813037.db2.gz ZFGJHZMZHAKLPG-UHFFFAOYSA-N 0 1 293.716 3.806 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000083551415 1129150645 /nfs/dbraw/zinc/15/06/45/1129150645.db2.gz PTQGOEVBKFMUSP-CQSZACIVSA-N 0 1 287.790 3.693 20 10 CHCDMN Cc1cc(NCc2ccc(F)c(F)c2O)ccc1N(C)C ZINC000864025022 1123910703 /nfs/dbraw/zinc/91/07/03/1123910703.db2.gz BWXDFOQOUUBXRD-UHFFFAOYSA-N 0 1 292.329 3.657 20 10 CHCDMN CCOc1cc(F)ccc1NCc1ccc(F)c(F)c1O ZINC000864030482 1123911562 /nfs/dbraw/zinc/91/15/62/1123911562.db2.gz MNKIXJCVKCCOHQ-UHFFFAOYSA-N 0 1 297.276 3.820 20 10 CHCDMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000763648095 1129155089 /nfs/dbraw/zinc/15/50/89/1129155089.db2.gz QEBIJSCWGXKCMX-LLVKDONJSA-N 0 1 265.784 3.810 20 10 CHCDMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000763648945 1129160223 /nfs/dbraw/zinc/16/02/23/1129160223.db2.gz UACZFSRFPXNJRH-JTQLQIEISA-N 0 1 283.774 3.949 20 10 CHCDMN C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc2ccccc2c1[O-] ZINC000087015804 1129171771 /nfs/dbraw/zinc/17/17/71/1129171771.db2.gz WURMSLNZWMMHDI-CYBMUJFWSA-N 0 1 285.387 3.501 20 10 CHCDMN CCCN(Cc1ccccc1O)Cc1ncccc1Cl ZINC000528391159 1124651257 /nfs/dbraw/zinc/65/12/57/1124651257.db2.gz DTNJGQUBQKVRAR-UHFFFAOYSA-N 0 1 290.794 3.853 20 10 CHCDMN CCCOc1ccc(CN[C@@H](CO)c2ccccc2)cc1C ZINC000873051842 1124736574 /nfs/dbraw/zinc/73/65/74/1124736574.db2.gz IETPLCYUDOBJGA-SFHVURJKSA-N 0 1 299.414 3.607 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000019904126 1124767012 /nfs/dbraw/zinc/76/70/12/1124767012.db2.gz LEPNBPPSOJSSIE-UHFFFAOYSA-N 0 1 279.742 3.517 20 10 CHCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000877515207 1125037398 /nfs/dbraw/zinc/03/73/98/1125037398.db2.gz XQCVXHCSHCHZHG-UHFFFAOYSA-N 0 1 291.297 3.553 20 10 CHCDMN COCC(C)(C)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000877805670 1125079745 /nfs/dbraw/zinc/07/97/45/1125079745.db2.gz PJIKXYGJKLYNKK-UHFFFAOYSA-N 0 1 287.403 3.698 20 10 CHCDMN CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877795430 1125081366 /nfs/dbraw/zinc/08/13/66/1125081366.db2.gz KPERXHWFRBECDX-MRXNPFEDSA-N 0 1 299.414 3.528 20 10 CHCDMN CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877795430 1125081375 /nfs/dbraw/zinc/08/13/75/1125081375.db2.gz KPERXHWFRBECDX-MRXNPFEDSA-N 0 1 299.414 3.528 20 10 CHCDMN CCc1noc(C)c1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826012356 1125113589 /nfs/dbraw/zinc/11/35/89/1125113589.db2.gz NFCNPWZJYDSAMC-UHFFFAOYSA-N 0 1 294.782 3.503 20 10 CHCDMN CO[C@@](C)([C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000826120898 1125225389 /nfs/dbraw/zinc/22/53/89/1125225389.db2.gz LAHXFNZIENBLQA-ZBEGNZNMSA-N 0 1 297.826 3.647 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(Cl)cc1[O-] ZINC000883357469 1125401226 /nfs/dbraw/zinc/40/12/26/1125401226.db2.gz LYMJEQPSAJQNRW-YPMHNXCESA-N 0 1 295.810 3.798 20 10 CHCDMN [O-]c1ccccc1C[N@H+](CCc1cccnc1)C1CCCC1 ZINC000734149814 1129296502 /nfs/dbraw/zinc/29/65/02/1129296502.db2.gz SWEBXCUIPPXHBG-UHFFFAOYSA-N 0 1 296.414 3.775 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](CCc1cccnc1)C1CCCC1 ZINC000734149814 1129296506 /nfs/dbraw/zinc/29/65/06/1129296506.db2.gz SWEBXCUIPPXHBG-UHFFFAOYSA-N 0 1 296.414 3.775 20 10 CHCDMN COc1ccc(CN[C@H]2CSc3ccccc32)cc1C ZINC000735509125 1129348650 /nfs/dbraw/zinc/34/86/50/1129348650.db2.gz VHMCWXYNHYVQCX-HNNXBMFYSA-N 0 1 285.412 3.940 20 10 CHCDMN C[C@@H]1CCCCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738221146 1129390526 /nfs/dbraw/zinc/39/05/26/1129390526.db2.gz CDYZYDKNRGLPGN-CYBMUJFWSA-N 0 1 270.376 3.705 20 10 CHCDMN C[C@@H]1CCCCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738221146 1129390531 /nfs/dbraw/zinc/39/05/31/1129390531.db2.gz CDYZYDKNRGLPGN-CYBMUJFWSA-N 0 1 270.376 3.705 20 10 CHCDMN CCN(CC)c1ccc(CNCc2ccoc2C)cc1F ZINC000740003974 1129409061 /nfs/dbraw/zinc/40/90/61/1129409061.db2.gz GLRIMJCUMVJVHZ-UHFFFAOYSA-N 0 1 290.382 3.863 20 10 CHCDMN CC[N@H+](CCc1nccs1)Cc1cc(Cl)ccc1[O-] ZINC000093764536 1129427858 /nfs/dbraw/zinc/42/78/58/1129427858.db2.gz BVRWRATUEGJBEP-UHFFFAOYSA-N 0 1 296.823 3.567 20 10 CHCDMN CC[N@@H+](CCc1nccs1)Cc1cc(Cl)ccc1[O-] ZINC000093764536 1129427859 /nfs/dbraw/zinc/42/78/59/1129427859.db2.gz BVRWRATUEGJBEP-UHFFFAOYSA-N 0 1 296.823 3.567 20 10 CHCDMN C[N@@H+](Cc1cccc(Br)c1[O-])C1(C)CCCC1 ZINC000720385449 1129524349 /nfs/dbraw/zinc/52/43/49/1129524349.db2.gz BKFGRBHKNFMWMC-UHFFFAOYSA-N 0 1 298.224 3.919 20 10 CHCDMN CO[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(C)C ZINC000381772512 1129849778 /nfs/dbraw/zinc/84/97/78/1129849778.db2.gz JSJFABCDZQQAGY-CXAGYDPISA-N 0 1 287.403 3.867 20 10 CHCDMN COc1cc(CN2Cc3ccccc3[C@H]2C)c(O)cc1C ZINC000768465631 1129859498 /nfs/dbraw/zinc/85/94/98/1129859498.db2.gz JQMBQFNXQVEJOF-CYBMUJFWSA-N 0 1 283.371 3.786 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000769497430 1129914009 /nfs/dbraw/zinc/91/40/09/1129914009.db2.gz DOGRWRZGNSYTNB-HIFRSBDPSA-N 0 1 297.851 3.906 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000769497430 1129914011 /nfs/dbraw/zinc/91/40/11/1129914011.db2.gz DOGRWRZGNSYTNB-HIFRSBDPSA-N 0 1 297.851 3.906 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000769497895 1129914025 /nfs/dbraw/zinc/91/40/25/1129914025.db2.gz HBWDNDVRDNFYOZ-ZFWWWQNUSA-N 0 1 297.851 3.906 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000769497895 1129914026 /nfs/dbraw/zinc/91/40/26/1129914026.db2.gz HBWDNDVRDNFYOZ-ZFWWWQNUSA-N 0 1 297.851 3.906 20 10 CHCDMN CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000769547219 1129916953 /nfs/dbraw/zinc/91/69/53/1129916953.db2.gz BPLANXWSTXNJHE-AWEZNQCLSA-N 0 1 285.840 3.619 20 10 CHCDMN CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000769547219 1129916955 /nfs/dbraw/zinc/91/69/55/1129916955.db2.gz BPLANXWSTXNJHE-AWEZNQCLSA-N 0 1 285.840 3.619 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H](C)C1 ZINC000801594987 1129931391 /nfs/dbraw/zinc/93/13/91/1129931391.db2.gz TVTPTSJYNJEVCU-HOTGVXAUSA-N 0 1 291.435 3.809 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H](C)C1 ZINC000801594987 1129931394 /nfs/dbraw/zinc/93/13/94/1129931394.db2.gz TVTPTSJYNJEVCU-HOTGVXAUSA-N 0 1 291.435 3.809 20 10 CHCDMN C[C@@H]([N@H+](C)Cc1c([O-])cccc1Cl)C1(C)CC1 ZINC000770288334 1129943926 /nfs/dbraw/zinc/94/39/26/1129943926.db2.gz IHMSFNQCBHQKBS-SNVBAGLBSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]([N@@H+](C)Cc1c([O-])cccc1Cl)C1(C)CC1 ZINC000770288334 1129943928 /nfs/dbraw/zinc/94/39/28/1129943928.db2.gz IHMSFNQCBHQKBS-SNVBAGLBSA-N 0 1 253.773 3.666 20 10 CHCDMN CN(C)c1ccc(CN2CC[C@@H]2c2ccccc2)cc1F ZINC000771939270 1129996863 /nfs/dbraw/zinc/99/68/63/1129996863.db2.gz PGZLXLTYUVFWND-QGZVFWFLSA-N 0 1 284.378 3.839 20 10 CHCDMN Oc1ccc(F)cc1CN1CC[C@](F)(c2ccccc2)C1 ZINC000802657255 1130028074 /nfs/dbraw/zinc/02/80/74/1130028074.db2.gz XNYIVBKDJDPANW-QGZVFWFLSA-N 0 1 289.325 3.602 20 10 CHCDMN CCN(Cc1cc(C)ns1)Cc1ccc(N(C)C)cc1 ZINC000788443741 1130186725 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0 1 296.823 3.663 20 10 CHCDMN Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825291486 1131505672 /nfs/dbraw/zinc/50/56/72/1131505672.db2.gz LWFDDXXDRNFFJI-SECBINFHSA-N 0 1 294.782 3.810 20 10 CHCDMN COC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000825321960 1131506862 /nfs/dbraw/zinc/50/68/62/1131506862.db2.gz SSKBJBJMWOOMDQ-HNNXBMFYSA-N 0 1 299.414 3.794 20 10 CHCDMN COC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000825321960 1131506865 /nfs/dbraw/zinc/50/68/65/1131506865.db2.gz SSKBJBJMWOOMDQ-HNNXBMFYSA-N 0 1 299.414 3.794 20 10 CHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001139683259 1131628127 /nfs/dbraw/zinc/62/81/27/1131628127.db2.gz JSNZPKZHOJXLOZ-ZDUSSCGKSA-N 0 1 289.325 3.660 20 10 CHCDMN C[N@@H+](Cc1c(F)ccc(F)c1[O-])[C@H]1CCc2ccccc21 ZINC001139690197 1131629236 /nfs/dbraw/zinc/62/92/36/1131629236.db2.gz SPHPSIHOSGSSJE-INIZCTEOSA-N 0 1 289.325 3.790 20 10 CHCDMN CC1=CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000846055781 1131685824 /nfs/dbraw/zinc/68/58/24/1131685824.db2.gz NSKZBBLNXSRKHT-CYBMUJFWSA-N 0 1 251.757 3.634 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)COCC1CC1)c1cc(Cl)ccc1[O-] ZINC000846205529 1131695629 /nfs/dbraw/zinc/69/56/29/1131695629.db2.gz QFGJIBWYSSIKHO-IAQYHMDHSA-N 0 1 297.826 3.901 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cc(Cl)ccc1[O-] ZINC000846204003 1131699377 /nfs/dbraw/zinc/69/93/77/1131699377.db2.gz JLQRXHLACZNORV-WDEREUQCSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000846203996 1131699394 /nfs/dbraw/zinc/69/93/94/1131699394.db2.gz JLQRXHLACZNORV-GHMZBOCLSA-N 0 1 283.799 3.511 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(Cl)cc1[O-] ZINC000846203776 1131699815 /nfs/dbraw/zinc/69/98/15/1131699815.db2.gz BDCYZPKMHMFSAV-WDEREUQCSA-N 0 1 283.799 3.511 20 10 CHCDMN CCC[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])OC ZINC000834841759 1131711285 /nfs/dbraw/zinc/71/12/85/1131711285.db2.gz ZVCAVGAIRICZDC-JQWIXIFHSA-N 0 1 271.788 3.511 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000834901355 1131724932 /nfs/dbraw/zinc/72/49/32/1131724932.db2.gz SOOSBFKSEJGCJB-QIIPPGSGSA-N 0 1 299.414 3.747 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001140462244 1131748595 /nfs/dbraw/zinc/74/85/95/1131748595.db2.gz BWBLGFZBEVBREQ-PHIMTYICSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001140462244 1131748602 /nfs/dbraw/zinc/74/86/02/1131748602.db2.gz BWBLGFZBEVBREQ-PHIMTYICSA-N 0 1 287.737 3.523 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140462882 1131749325 /nfs/dbraw/zinc/74/93/25/1131749325.db2.gz NGLNJGRRDRCYMT-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140462882 1131749332 /nfs/dbraw/zinc/74/93/32/1131749332.db2.gz NGLNJGRRDRCYMT-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN Cc1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140464508 1131750348 /nfs/dbraw/zinc/75/03/48/1131750348.db2.gz SIWVKXGNHWQARK-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140464508 1131750352 /nfs/dbraw/zinc/75/03/52/1131750352.db2.gz SIWVKXGNHWQARK-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN Cc1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140464508 1131750357 /nfs/dbraw/zinc/75/03/57/1131750357.db2.gz SIWVKXGNHWQARK-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN CC1(C)C[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000835061418 1131767905 /nfs/dbraw/zinc/76/79/05/1131767905.db2.gz ZEBHSUBDGHQHEP-CQSZACIVSA-N 0 1 299.414 3.840 20 10 CHCDMN CN1CC[C@H](Oc2ccccc2NN=C2C=CC=CC2=O)C1 ZINC001228420289 1131879937 /nfs/dbraw/zinc/87/99/37/1131879937.db2.gz UIFTVWMMZMANHM-HVCBDAARSA-N 0 1 297.358 3.891 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2cccc(F)n2)cc1 ZINC000773096013 1131944417 /nfs/dbraw/zinc/94/44/17/1131944417.db2.gz NJGMABCTZWXJTN-CYBMUJFWSA-N 0 1 287.382 3.528 20 10 CHCDMN Cc1ccc(CN2CCc3cc(F)c(F)cc3C2)c(O)c1 ZINC001140954278 1131971770 /nfs/dbraw/zinc/97/17/70/1131971770.db2.gz ONLLZEQOFLTABJ-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN Cc1ccc(CN(CC(=O)c2ccccc2)C(C)C)c(O)c1 ZINC001140957510 1131973300 /nfs/dbraw/zinc/97/33/00/1131973300.db2.gz BZQOQJQNKAFRPO-UHFFFAOYSA-N 0 1 297.398 3.794 20 10 CHCDMN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccns1 ZINC000715897693 1131994603 /nfs/dbraw/zinc/99/46/03/1131994603.db2.gz DAFCMDSWWVZZIF-VXGBXAGGSA-N 0 1 275.421 3.621 20 10 CHCDMN CO[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C12CCC2 ZINC000839180775 1132188790 /nfs/dbraw/zinc/18/87/90/1132188790.db2.gz WRGXFFLBOFCVAZ-IRXDYDNUSA-N 0 1 297.398 3.593 20 10 CHCDMN CC(C)OCC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001172439563 1132233311 /nfs/dbraw/zinc/23/33/11/1132233311.db2.gz BSBKYEWDPRKMCP-CQSZACIVSA-N 0 1 287.403 3.839 20 10 CHCDMN CC[C@H](NCc1ccn(CC)n1)c1cc(Cl)ccc1O ZINC000840841542 1132291991 /nfs/dbraw/zinc/29/19/91/1132291991.db2.gz VYRKUDKMFTYYBP-AWEZNQCLSA-N 0 1 293.798 3.503 20 10 CHCDMN CC[C@H]([NH2+]Cc1ccn(CC)n1)c1cc(Cl)ccc1[O-] ZINC000840841542 1132291997 /nfs/dbraw/zinc/29/19/97/1132291997.db2.gz VYRKUDKMFTYYBP-AWEZNQCLSA-N 0 1 293.798 3.503 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231450498 1132296158 /nfs/dbraw/zinc/29/61/58/1132296158.db2.gz FSDDUQAQGQDJRA-UHFFFAOYSA-N 0 1 299.370 3.503 20 10 CHCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCC[C@]1(C)O ZINC001231586957 1132318949 /nfs/dbraw/zinc/31/89/49/1132318949.db2.gz NTLNOTIRAQHSDX-LIRRHRJNSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCC[C@]1(C)O ZINC001231586957 1132318955 /nfs/dbraw/zinc/31/89/55/1132318955.db2.gz NTLNOTIRAQHSDX-LIRRHRJNSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@@]1(C)O ZINC001231587452 1132319677 /nfs/dbraw/zinc/31/96/77/1132319677.db2.gz CLLFOENVRJMTDX-AUUYWEPGSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@@]1(C)O ZINC001231587452 1132319684 /nfs/dbraw/zinc/31/96/84/1132319684.db2.gz CLLFOENVRJMTDX-AUUYWEPGSA-N 0 1 299.414 3.528 20 10 CHCDMN Cc1cc(C)c(C[N@@H+](C2CCC2)C2CCOCC2)c(O)c1 ZINC001231850407 1132378843 /nfs/dbraw/zinc/37/88/43/1132378843.db2.gz OVXRFGCOIVFFLT-UHFFFAOYSA-N 0 1 289.419 3.543 20 10 CHCDMN Cc1cc(O)c(C[N@@H+](C)Cc2cccnc2C)cc1Cl ZINC001231870138 1132383519 /nfs/dbraw/zinc/38/35/19/1132383519.db2.gz LIFZTDUIPXXQEM-UHFFFAOYSA-N 0 1 290.794 3.689 20 10 CHCDMN Cc1ccc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841743503 1132387260 /nfs/dbraw/zinc/38/72/60/1132387260.db2.gz AGJOVDLIKNUWBA-LLVKDONJSA-N 0 1 279.767 3.840 20 10 CHCDMN C[C@H]([NH2+]CCC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841756983 1132393913 /nfs/dbraw/zinc/39/39/13/1132393913.db2.gz DISQXSDMPRUNMW-ZETCQYMHSA-N 0 1 267.678 3.649 20 10 CHCDMN C[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841747766 1132389567 /nfs/dbraw/zinc/38/95/67/1132389567.db2.gz SKIPVKNTXWLHCD-GFCCVEGCSA-N 0 1 296.842 3.571 20 10 CHCDMN COCC[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231881745 1132390191 /nfs/dbraw/zinc/39/01/91/1132390191.db2.gz HUXAVQQXMOLTRZ-KRWDZBQOSA-N 0 1 299.414 3.936 20 10 CHCDMN COCC[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231881745 1132390197 /nfs/dbraw/zinc/39/01/97/1132390197.db2.gz HUXAVQQXMOLTRZ-KRWDZBQOSA-N 0 1 299.414 3.936 20 10 CHCDMN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231883122 1132390934 /nfs/dbraw/zinc/39/09/34/1132390934.db2.gz YQLATMWROJIXPO-KRWDZBQOSA-N 0 1 299.414 3.935 20 10 CHCDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231883122 1132390941 /nfs/dbraw/zinc/39/09/41/1132390941.db2.gz YQLATMWROJIXPO-KRWDZBQOSA-N 0 1 299.414 3.935 20 10 CHCDMN COC1([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841755869 1132392005 /nfs/dbraw/zinc/39/20/05/1132392005.db2.gz MXMJHJIXPOTCIG-MNOVXSKESA-N 0 1 283.799 3.654 20 10 CHCDMN CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757148 1132393242 /nfs/dbraw/zinc/39/32/42/1132393242.db2.gz MNARASLPASCGBO-SECBINFHSA-N 0 1 294.782 3.755 20 10 CHCDMN C[C@H]([NH2+]CCNc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841757183 1132395102 /nfs/dbraw/zinc/39/51/02/1132395102.db2.gz FQVZXJGCFZCHSW-LBPRGKRZSA-N 0 1 290.794 3.808 20 10 CHCDMN CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@H](C)CC ZINC001142502877 1132401868 /nfs/dbraw/zinc/40/18/68/1132401868.db2.gz YZKSFZZLUXOMSR-SNVBAGLBSA-N 0 1 257.324 3.681 20 10 CHCDMN CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@@H](C)CC ZINC001142502875 1132401963 /nfs/dbraw/zinc/40/19/63/1132401963.db2.gz YZKSFZZLUXOMSR-JTQLQIEISA-N 0 1 257.324 3.681 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCCCC[C@H]2C)cc1Cl ZINC001232264054 1132445053 /nfs/dbraw/zinc/44/50/53/1132445053.db2.gz DPFLEONZJDKBBX-LLVKDONJSA-N 0 1 283.799 3.819 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCCCC[C@H]2C)cc1Cl ZINC001232264054 1132445056 /nfs/dbraw/zinc/44/50/56/1132445056.db2.gz DPFLEONZJDKBBX-LLVKDONJSA-N 0 1 283.799 3.819 20 10 CHCDMN CCC1CC[NH+](Cc2cc(Cl)c(OC)cc2[O-])CC1 ZINC001232266408 1132446280 /nfs/dbraw/zinc/44/62/80/1132446280.db2.gz NQRUXTIDFFEYOU-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@H](C)C2)cc1Cl ZINC001232266213 1132446340 /nfs/dbraw/zinc/44/63/40/1132446340.db2.gz KNPSUARFZRQZRS-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@H](C)C2)cc1Cl ZINC001232266213 1132446342 /nfs/dbraw/zinc/44/63/42/1132446342.db2.gz KNPSUARFZRQZRS-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN CCC[N@H+](Cc1cc(Cl)c(OC)cc1[O-])CC1CC1 ZINC001232264594 1132447444 /nfs/dbraw/zinc/44/74/44/1132447444.db2.gz JOAPEEJDJILWPP-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN CC[N@@H+](Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1O ZINC001232872422 1132534014 /nfs/dbraw/zinc/53/40/14/1132534014.db2.gz YQBPHHLPMCSKCO-UHFFFAOYSA-N 0 1 296.370 3.601 20 10 CHCDMN CC(C)(C)c1ccc(O)c(CN2CC[C@@](C)(F)[C@H](F)C2)c1 ZINC001233284356 1132594309 /nfs/dbraw/zinc/59/43/09/1132594309.db2.gz RGOGZTSGITZDOF-NVXWUHKLSA-N 0 1 297.389 3.962 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCCCC12CC2 ZINC001233454837 1132626516 /nfs/dbraw/zinc/62/65/16/1132626516.db2.gz LQBPUZOXQOWWMC-UHFFFAOYSA-N 0 1 285.309 3.930 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCCCC12CC2 ZINC001233454837 1132626521 /nfs/dbraw/zinc/62/65/21/1132626521.db2.gz LQBPUZOXQOWWMC-UHFFFAOYSA-N 0 1 285.309 3.930 20 10 CHCDMN CC1(C)CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233726241 1132670547 /nfs/dbraw/zinc/67/05/47/1132670547.db2.gz BCTLHJSXHNTPCM-UHFFFAOYSA-N 0 1 289.297 3.665 20 10 CHCDMN CC1(C)CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233726241 1132670551 /nfs/dbraw/zinc/67/05/51/1132670551.db2.gz BCTLHJSXHNTPCM-UHFFFAOYSA-N 0 1 289.297 3.665 20 10 CHCDMN Nc1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1 ZINC001159485282 1132853885 /nfs/dbraw/zinc/85/38/85/1132853885.db2.gz JYVYROMMMQNTLL-UHFFFAOYSA-N 0 1 258.712 3.542 20 10 CHCDMN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1ccccc1O ZINC001203561263 1133340655 /nfs/dbraw/zinc/34/06/55/1133340655.db2.gz OKENWFPKFVESPT-KRWDZBQOSA-N 0 1 297.398 3.876 20 10 CHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC2(CC2)CC1 ZINC001203636225 1133346582 /nfs/dbraw/zinc/34/65/82/1133346582.db2.gz QDWIGTBNRLMWPJ-UHFFFAOYSA-N 0 1 296.208 3.531 20 10 CHCDMN COc1ccc(C[N@@H+](Cc2ccccc2)C2CCC2)c(O)c1 ZINC001203634556 1133346601 /nfs/dbraw/zinc/34/66/01/1133346601.db2.gz LSPQBWOROXBYHQ-UHFFFAOYSA-N 0 1 297.398 3.956 20 10 CHCDMN Cc1cccc2c1CN(Cc1ccc(N(C)C)cc1)C2 ZINC001203929454 1133386940 /nfs/dbraw/zinc/38/69/40/1133386940.db2.gz DABSVTBIHWPNRO-UHFFFAOYSA-N 0 1 266.388 3.577 20 10 CHCDMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001204161794 1133411664 /nfs/dbraw/zinc/41/16/64/1133411664.db2.gz GBGCWHMUYAWGES-LLVKDONJSA-N 0 1 289.325 3.790 20 10 CHCDMN CC[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001204180113 1133416037 /nfs/dbraw/zinc/41/60/37/1133416037.db2.gz GXWWXILIOWGJJC-LBPRGKRZSA-N 0 1 253.773 3.728 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001204180113 1133416042 /nfs/dbraw/zinc/41/60/42/1133416042.db2.gz GXWWXILIOWGJJC-LBPRGKRZSA-N 0 1 253.773 3.728 20 10 CHCDMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001204769445 1133483082 /nfs/dbraw/zinc/48/30/82/1133483082.db2.gz UVDDDTFGXJXQDC-ZJUUUORDSA-N 0 1 271.763 3.805 20 10 CHCDMN CC1(C[NH2+]Cc2cc(F)ccc2[O-])CCCCCC1 ZINC001205076255 1133524557 /nfs/dbraw/zinc/52/45/57/1133524557.db2.gz AXEOJJILVJSYLG-UHFFFAOYSA-N 0 1 265.372 3.981 20 10 CHCDMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001205155868 1133538596 /nfs/dbraw/zinc/53/85/96/1133538596.db2.gz GFWTYIBCNFVFFQ-NSHDSACASA-N 0 1 277.314 3.863 20 10 CHCDMN Cc1ccc(F)c(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001205662137 1133600051 /nfs/dbraw/zinc/60/00/51/1133600051.db2.gz YEZBCSYUJIQMMG-UHFFFAOYSA-N 0 1 286.394 3.832 20 10 CHCDMN Oc1cc(F)c(F)cc1CNc1cc2c(cn1)CCCC2 ZINC001205981076 1133637946 /nfs/dbraw/zinc/63/79/46/1133637946.db2.gz WJKBHIYGMFRGEH-UHFFFAOYSA-N 0 1 290.313 3.556 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001206517424 1133712769 /nfs/dbraw/zinc/71/27/69/1133712769.db2.gz SYGZVHVHYLEOQA-UHFFFAOYSA-N 0 1 286.762 3.817 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC001206552020 1133716743 /nfs/dbraw/zinc/71/67/43/1133716743.db2.gz FFJDFPMTLXTAHM-OAHLLOKOSA-N 0 1 281.346 3.825 20 10 CHCDMN Oc1cccc2c1CN(C/C=C/c1cccc(F)c1)C2 ZINC001207243758 1133782533 /nfs/dbraw/zinc/78/25/33/1133782533.db2.gz PIRBQSSWRMCTGF-HWKANZROSA-N 0 1 269.319 3.560 20 10 CHCDMN Cc1cccc2c(C[N@H+]3CCc4cccc(O)c4C3)c[nH]c21 ZINC001209494413 1134030976 /nfs/dbraw/zinc/03/09/76/1134030976.db2.gz PVCQJODOKQMZSC-UHFFFAOYSA-N 0 1 292.382 3.740 20 10 CHCDMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cccc(Br)c1[O-] ZINC000136818942 1134413713 /nfs/dbraw/zinc/41/37/13/1134413713.db2.gz UTPMLUXQIYZMQH-JQWIXIFHSA-N 0 1 298.224 3.918 20 10 CHCDMN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019945606 170936482 /nfs/dbraw/zinc/93/64/82/170936482.db2.gz BERIKPHJWPKXJG-MFKMUULPSA-N 0 1 253.773 3.714 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000157884522 261155073 /nfs/dbraw/zinc/15/50/73/261155073.db2.gz YIJYIBHAKFQSRF-NKFCBESUSA-N 0 1 295.810 3.654 20 10 CHCDMN COc1cc(Cl)cc(CN(C)[C@H](C)c2ccco2)c1O ZINC000184679048 262026173 /nfs/dbraw/zinc/02/61/73/262026173.db2.gz YKQRWCIZUFIMMM-SNVBAGLBSA-N 0 1 295.766 3.840 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000184882992 262032522 /nfs/dbraw/zinc/03/25/22/262032522.db2.gz ZQOOGRWAMSNWJC-GHMZBOCLSA-N 0 1 276.767 3.852 20 10 CHCDMN COCCCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185232870 262047325 /nfs/dbraw/zinc/04/73/25/262047325.db2.gz PRLNVXRKZZFZTL-NSHDSACASA-N 0 1 271.788 3.513 20 10 CHCDMN CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185438867 262054085 /nfs/dbraw/zinc/05/40/85/262054085.db2.gz DDRSNLBTGONYTA-IIYDPXPESA-N 0 1 287.403 3.603 20 10 CHCDMN C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000184569709 329259953 /nfs/dbraw/zinc/25/99/53/329259953.db2.gz 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CC1(CC(F)F)CN(Cc2ccc(Cl)cc2O)C1 ZINC001182554402 1122173107 /nfs/dbraw/zinc/17/31/07/1122173107.db2.gz JXHUQABGITXSIM-UHFFFAOYSA-N 0 1 275.726 3.523 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000775490815 1122619496 /nfs/dbraw/zinc/61/94/96/1122619496.db2.gz XHWIBMKHWXYHGP-TZMCWYRMSA-N 0 1 283.799 3.655 20 10 CHCDMN CC[C@H]([NH2+][C@H](COC)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775510285 1122630684 /nfs/dbraw/zinc/63/06/84/1122630684.db2.gz ZQZQDEKWBMMKBS-UONOGXRCSA-N 0 1 285.815 3.757 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cc(C)no1)c1cc(Cl)ccc1[O-] ZINC000775501236 1122628904 /nfs/dbraw/zinc/62/89/04/1122628904.db2.gz CRKPKWUOBUMNRB-CYBMUJFWSA-N 0 1 280.755 3.583 20 10 CHCDMN CC[C@@H]([NH2+]CCCCCCO)c1cc(Cl)ccc1[O-] ZINC000775531412 1122649314 /nfs/dbraw/zinc/64/93/14/1122649314.db2.gz BYWVHUKVJCJFLA-CQSZACIVSA-N 0 1 285.815 3.639 20 10 CHCDMN C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000866499085 1124073457 /nfs/dbraw/zinc/07/34/57/1124073457.db2.gz 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C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc2ccccc2c1[O-] ZINC000185736245 1126902515 /nfs/dbraw/zinc/90/25/15/1126902515.db2.gz SIQJWTDBYXEYML-OFQRWUPVSA-N 0 1 299.414 3.747 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2[C@H](C)CCC[C@@H]2C)c(Cl)c1 ZINC001236801205 1131012468 /nfs/dbraw/zinc/01/24/68/1131012468.db2.gz BQEXIUUCZYJYHL-PHIMTYICSA-N 0 1 283.799 3.817 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(Cl)c1 ZINC001236801205 1131012474 /nfs/dbraw/zinc/01/24/74/1131012474.db2.gz BQEXIUUCZYJYHL-PHIMTYICSA-N 0 1 283.799 3.817 20 10 CHCDMN CCCCC[N@H+](C)Cc1c([O-])ccc(F)c1Cl ZINC001237121427 1131056174 /nfs/dbraw/zinc/05/61/74/1131056174.db2.gz NAMZGVGEPUDXOJ-UHFFFAOYSA-N 0 1 259.752 3.807 20 10 CHCDMN CCCCC[N@@H+](C)Cc1c([O-])ccc(F)c1Cl ZINC001237121427 1131056181 /nfs/dbraw/zinc/05/61/81/1131056181.db2.gz NAMZGVGEPUDXOJ-UHFFFAOYSA-N 0 1 259.752 3.807 20 10 CHCDMN Cc1ncccc1C[N@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237941262 1131153942 /nfs/dbraw/zinc/15/39/42/1131153942.db2.gz UISQYWHURYYSFB-UHFFFAOYSA-N 0 1 294.757 3.520 20 10 CHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000226562066 1127411102 /nfs/dbraw/zinc/41/11/02/1127411102.db2.gz FGOZTPPCEIGIGN-INIZCTEOSA-N 0 1 271.335 3.868 20 10 CHCDMN CS[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168851983 1127472538 /nfs/dbraw/zinc/47/25/38/1127472538.db2.gz OEOPWUYMNOBXQQ-VXGBXAGGSA-N 0 1 275.417 3.948 20 10 CHCDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237933690 1129219994 /nfs/dbraw/zinc/21/99/94/1129219994.db2.gz FXCZUMOUISMBJF-UHFFFAOYSA-N 0 1 295.741 3.522 20 10 CHCDMN CC[N@H+](CCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000761226868 1127552047 /nfs/dbraw/zinc/55/20/47/1127552047.db2.gz WHADKXWPHODKHY-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000761226868 1127552049 /nfs/dbraw/zinc/55/20/49/1127552049.db2.gz WHADKXWPHODKHY-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC001237935455 1129220443 /nfs/dbraw/zinc/22/04/43/1129220443.db2.gz DSTFFKBPMPDCHV-UHFFFAOYSA-N 0 1 283.774 3.951 20 10 CHCDMN Cc1cccnc1CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000296244411 1127666581 /nfs/dbraw/zinc/66/65/81/1127666581.db2.gz CQVZCWIOIUHDCS-LBPRGKRZSA-N 0 1 290.794 3.642 20 10 CHCDMN CC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233726206 1128030911 /nfs/dbraw/zinc/03/09/11/1128030911.db2.gz ACXCWFPSKAQEJC-UHFFFAOYSA-N 0 1 289.297 3.523 20 10 CHCDMN Clc1ccc2nc(Sc3nccs3)[nH]c2c1 ZINC000914863399 1128256007 /nfs/dbraw/zinc/25/60/07/1128256007.db2.gz SFWJZORDRUOAML-UHFFFAOYSA-N 0 1 267.766 3.824 20 10 CHCDMN C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc(Cl)cc1[O-] ZINC000927156688 1128223266 /nfs/dbraw/zinc/22/32/66/1128223266.db2.gz BETMHRSQWZUDCM-ABAIWWIYSA-N 0 1 295.810 3.798 20 10 CHCDMN Cc1c(CN2CC[C@](C)(F)[C@@H](F)C2)c2ccccc2n1C ZINC001138252516 1128281441 /nfs/dbraw/zinc/28/14/41/1128281441.db2.gz JOOODJRMUHIUGG-IRXDYDNUSA-N 0 1 292.373 3.759 20 10 CHCDMN CCCN(Cc1ccccc1O)[C@@H](C)c1snnc1C ZINC000929753967 1128285130 /nfs/dbraw/zinc/28/51/30/1128285130.db2.gz YYISCOIVNGOKDU-LBPRGKRZSA-N 0 1 291.420 3.525 20 10 CHCDMN C[C@H]([NH2+]CCc1cccnc1)c1ccc2ccccc2c1[O-] ZINC000193709801 1128333241 /nfs/dbraw/zinc/33/32/41/1128333241.db2.gz QHAHMBGKBWVZDZ-AWEZNQCLSA-N 0 1 292.382 3.834 20 10 CHCDMN CN(C)c1ccc(CNCc2ccc(Cl)cc2F)cc1 ZINC000157301868 1128652373 /nfs/dbraw/zinc/65/23/73/1128652373.db2.gz VELYVWPZUCLLLQ-UHFFFAOYSA-N 0 1 292.785 3.835 20 10 CHCDMN Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1O)CC3 ZINC000779000723 1128675293 /nfs/dbraw/zinc/67/52/93/1128675293.db2.gz ZUSOYWYHQWSNSA-UHFFFAOYSA-N 0 1 292.382 3.740 20 10 CHCDMN Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000779010495 1128676791 /nfs/dbraw/zinc/67/67/91/1128676791.db2.gz WWWZBHDMNPNSHP-GOSISDBHSA-N 0 1 281.399 3.908 20 10 CHCDMN C[C@H]1c2c(F)cccc2CCN1Cc1cc(F)ccc1O ZINC000779020214 1128683468 /nfs/dbraw/zinc/68/34/68/1128683468.db2.gz KEAFAGRMOGOHEB-NSHDSACASA-N 0 1 289.325 3.790 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)CCCO3)o1 ZINC000921489477 1128710554 /nfs/dbraw/zinc/71/05/54/1128710554.db2.gz JDUUJBQKASSDRF-CYBMUJFWSA-N 0 1 271.360 3.764 20 10 CHCDMN Oc1cccc2c1CN(Cc1ccccc1Cl)CC2 ZINC001203385075 1117835713 /nfs/dbraw/zinc/83/57/13/1117835713.db2.gz IOCZPLLDQCYQQT-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN CC(C)[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000049099605 1128743195 /nfs/dbraw/zinc/74/31/95/1128743195.db2.gz WHQASOXOKWWEDV-MRXNPFEDSA-N 0 1 270.376 3.561 20 10 CHCDMN CC(C)[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000049099605 1128743197 /nfs/dbraw/zinc/74/31/97/1128743197.db2.gz WHQASOXOKWWEDV-MRXNPFEDSA-N 0 1 270.376 3.561 20 10 CHCDMN C[C@H]1CCCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000705476326 1117973340 /nfs/dbraw/zinc/97/33/40/1117973340.db2.gz IVWLSLRUMCCUNK-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@H]1CCCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000705476326 1117973343 /nfs/dbraw/zinc/97/33/43/1117973343.db2.gz IVWLSLRUMCCUNK-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN Cc1ccc(O)c([C@H](C)NCc2ccn(C3CCCC3)n2)c1 ZINC000186138108 1118021488 /nfs/dbraw/zinc/02/14/88/1118021488.db2.gz VPSFZLUGRNODQZ-AWEZNQCLSA-N 0 1 299.418 3.863 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000211526962 1118072267 /nfs/dbraw/zinc/07/22/67/1118072267.db2.gz OUYJVIKGTWFAEU-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000211526962 1118072271 /nfs/dbraw/zinc/07/22/71/1118072271.db2.gz OUYJVIKGTWFAEU-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000211526962 1118072273 /nfs/dbraw/zinc/07/22/73/1118072273.db2.gz OUYJVIKGTWFAEU-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000749976359 1118087429 /nfs/dbraw/zinc/08/74/29/1118087429.db2.gz LHCVHXPHDNPJKH-HUUCEWRRSA-N 0 1 282.387 3.562 20 10 CHCDMN C[C@H](c1ccco1)[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000179984974 1128769971 /nfs/dbraw/zinc/76/99/71/1128769971.db2.gz LJKUWBRBKPLNPF-LLVKDONJSA-N 0 1 275.323 3.850 20 10 CHCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000083551388 1118356471 /nfs/dbraw/zinc/35/64/71/1118356471.db2.gz QPXYQKCDVYLZEM-GFCCVEGCSA-N 0 1 275.779 3.939 20 10 CHCDMN Cc1nnsc1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000293751070 1118446988 /nfs/dbraw/zinc/44/69/88/1118446988.db2.gz RINBKSOHWGVSIP-JTQLQIEISA-N 0 1 299.399 3.556 20 10 CHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccoc1 ZINC000177975946 1118567160 /nfs/dbraw/zinc/56/71/60/1118567160.db2.gz HXFKJHOKYGZSMA-AWEZNQCLSA-N 0 1 270.376 3.731 20 10 CHCDMN CCCN(Cc1csc(C)n1)Cc1ccccc1O ZINC000076724907 1128787638 /nfs/dbraw/zinc/78/76/38/1128787638.db2.gz LXFGTQROTLLXPP-UHFFFAOYSA-N 0 1 276.405 3.569 20 10 CHCDMN C[C@H]1CC[C@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707146235 1118648407 /nfs/dbraw/zinc/64/84/07/1118648407.db2.gz KLNFQHYYTWAKHP-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@H]1CC[C@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707146235 1118648408 /nfs/dbraw/zinc/64/84/08/1118648408.db2.gz KLNFQHYYTWAKHP-QWRGUYRKSA-N 0 1 298.224 3.775 20 10 CHCDMN COc1ccc(C[N@@H+](Cc2ccccc2O)C2CC2)cc1 ZINC000179554077 1119750762 /nfs/dbraw/zinc/75/07/62/1119750762.db2.gz VZVVPAXATAJTHE-UHFFFAOYSA-N 0 1 283.371 3.565 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000725849930 1119915410 /nfs/dbraw/zinc/91/54/10/1119915410.db2.gz ADFNVAFLBQPDRT-UHFFFAOYSA-N 0 1 286.762 3.817 20 10 CHCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000163860730 1120022885 /nfs/dbraw/zinc/02/28/85/1120022885.db2.gz HTVFTWDSGRACQT-LBPRGKRZSA-N 0 1 267.800 3.914 20 10 CHCDMN CC[N@H+](Cc1cc(C)cc(Br)c1[O-])CC1CC1 ZINC000781912429 1120524110 /nfs/dbraw/zinc/52/41/10/1120524110.db2.gz PVMAIZBMNDDELD-UHFFFAOYSA-N 0 1 298.224 3.695 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922587190 1120558145 /nfs/dbraw/zinc/55/81/45/1120558145.db2.gz YGWXKUDCZLGRRR-MRXNPFEDSA-N 0 1 288.778 3.682 20 10 CHCDMN Cc1cnc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000756612297 1120605733 /nfs/dbraw/zinc/60/57/33/1120605733.db2.gz ZLOMWRXIDVVELH-KWQFWETISA-N 0 1 292.379 3.634 20 10 CHCDMN c1cnc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000922886888 1120633252 /nfs/dbraw/zinc/63/32/52/1120633252.db2.gz WGBDJHFHAQHJKB-KRWDZBQOSA-N 0 1 294.398 3.574 20 10 CHCDMN C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc2ccccc2c1[O-] ZINC000313016793 1120672769 /nfs/dbraw/zinc/67/27/69/1120672769.db2.gz GZFGIPRPQVLJSI-LRDDRELGSA-N 0 1 285.387 3.621 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001137831861 1121179258 /nfs/dbraw/zinc/17/92/58/1121179258.db2.gz QDTABWJOSVMFMP-CQSZACIVSA-N 0 1 271.335 3.521 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001237122774 1128979028 /nfs/dbraw/zinc/97/90/28/1128979028.db2.gz YQBWMLCDGHROFS-PHIMTYICSA-N 0 1 283.774 3.807 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001237122774 1128979031 /nfs/dbraw/zinc/97/90/31/1128979031.db2.gz YQBWMLCDGHROFS-PHIMTYICSA-N 0 1 283.774 3.807 20 10 CHCDMN COc1ccc([C@@H](C)[N@@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137838669 1121421537 /nfs/dbraw/zinc/42/15/37/1121421537.db2.gz GWTWHTPIIKMICB-GFCCVEGCSA-N 0 1 289.350 3.733 20 10 CHCDMN CC(C)CCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000096867581 1121459840 /nfs/dbraw/zinc/45/98/40/1121459840.db2.gz FPCASHWCOIRYBO-UHFFFAOYSA-N 0 1 255.789 3.962 20 10 CHCDMN Cc1ccc([C@H](C)N[C@@H](C)c2c(F)cncc2F)c(O)c1 ZINC000797128377 1121843166 /nfs/dbraw/zinc/84/31/66/1121843166.db2.gz RGBCGKXAMSIIKW-QWRGUYRKSA-N 0 1 292.329 3.786 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC2=CCCC2)c(Cl)c1 ZINC001179199496 1121857530 /nfs/dbraw/zinc/85/75/30/1121857530.db2.gz GKHUIXMSSZTAPW-UHFFFAOYSA-N 0 1 251.757 3.554 20 10 CHCDMN CC[N@@H+](Cc1ccccc1F)Cc1cc(F)cc(F)c1[O-] ZINC001179913700 1121930717 /nfs/dbraw/zinc/93/07/17/1121930717.db2.gz FETXPDBJDFFGDV-UHFFFAOYSA-N 0 1 295.304 3.832 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](CC(C)C)C2CC2)cc1Cl ZINC001179983602 1121932320 /nfs/dbraw/zinc/93/23/20/1121932320.db2.gz AQNCXBCFYLLZSO-UHFFFAOYSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](CC(C)C)C2CC2)cc1Cl ZINC001179983602 1121932330 /nfs/dbraw/zinc/93/23/30/1121932330.db2.gz AQNCXBCFYLLZSO-UHFFFAOYSA-N 0 1 267.800 3.974 20 10 CHCDMN CCCC[N@@H+](CCOC)Cc1c(O)cc(C)cc1Cl ZINC001180262458 1121969485 /nfs/dbraw/zinc/96/94/85/1121969485.db2.gz VQZMUFNEZXVFSD-UHFFFAOYSA-N 0 1 285.815 3.603 20 10 CHCDMN CCCC[N@H+](CCOC)Cc1c([O-])cc(C)cc1Cl ZINC001180262458 1121969490 /nfs/dbraw/zinc/96/94/90/1121969490.db2.gz VQZMUFNEZXVFSD-UHFFFAOYSA-N 0 1 285.815 3.603 20 10 CHCDMN CCCC[N@@H+](CCOC)Cc1c([O-])cc(C)cc1Cl ZINC001180262458 1121969492 /nfs/dbraw/zinc/96/94/92/1121969492.db2.gz VQZMUFNEZXVFSD-UHFFFAOYSA-N 0 1 285.815 3.603 20 10 CHCDMN CCOc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000271945282 1122183673 /nfs/dbraw/zinc/18/36/73/1122183673.db2.gz XFEVTXRTOGAEIN-UHFFFAOYSA-N 0 1 291.778 3.734 20 10 CHCDMN CC(C)C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000272034709 1122187822 /nfs/dbraw/zinc/18/78/22/1122187822.db2.gz UYMQQNSWSKWSCK-OLZOCXBDSA-N 0 1 297.826 3.729 20 10 CHCDMN CCn1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000273446426 1122233190 /nfs/dbraw/zinc/23/31/90/1122233190.db2.gz FBABXOXYRCUYPD-ZDUSSCGKSA-N 0 1 295.386 3.613 20 10 CHCDMN Cc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001203651011 1122415289 /nfs/dbraw/zinc/41/52/89/1122415289.db2.gz HVNJQFJJQWJLHL-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN Cc1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001203651011 1122415293 /nfs/dbraw/zinc/41/52/93/1122415293.db2.gz HVNJQFJJQWJLHL-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN CC[C@H]([NH2+]CCCCCOC)c1cc(Cl)ccc1[O-] ZINC000775497138 1122626532 /nfs/dbraw/zinc/62/65/32/1122626532.db2.gz NBYVFDOEZJYOGG-AWEZNQCLSA-N 0 1 285.815 3.903 20 10 CHCDMN CC[C@@H]([NH2+]CC(O)(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775496624 1122627046 /nfs/dbraw/zinc/62/70/46/1122627046.db2.gz LAXOQUBVLIAWDP-CYBMUJFWSA-N 0 1 285.815 3.637 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)CCOC)c1cc(Cl)ccc1[O-] ZINC000775501457 1122628803 /nfs/dbraw/zinc/62/88/03/1122628803.db2.gz QVRJOWNKZUAPET-GXFFZTMASA-N 0 1 271.788 3.511 20 10 CHCDMN CCc1cc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])[nH]n1 ZINC000775508545 1122629661 /nfs/dbraw/zinc/62/96/61/1122629661.db2.gz VLAJSMPOGVTBGU-AWEZNQCLSA-N 0 1 293.798 3.572 20 10 CHCDMN CC[C@@H]([NH2+]CCCSC)c1cc(Cl)ccc1[O-] ZINC000775508631 1122630073 /nfs/dbraw/zinc/63/00/73/1122630073.db2.gz WAMROXKZJLHQBA-GFCCVEGCSA-N 0 1 273.829 3.839 20 10 CHCDMN CCc1cc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])on1 ZINC000775509202 1122632061 /nfs/dbraw/zinc/63/20/61/1122632061.db2.gz JBUVQHAWIHCCTQ-AWEZNQCLSA-N 0 1 294.782 3.837 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000775508268 1122632155 /nfs/dbraw/zinc/63/21/55/1122632155.db2.gz BANLWBSYWOJBDX-UGFHNGPFSA-N 0 1 297.826 3.637 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cc(Cl)ccc1[O-] ZINC000775511848 1122633239 /nfs/dbraw/zinc/63/32/39/1122633239.db2.gz DOUDYVVVFQQAEA-LNSITVRQSA-N 0 1 297.826 3.637 20 10 CHCDMN CC[C@H]([NH2+]CC1(CCO)CCC1)c1cc(Cl)ccc1[O-] ZINC000775521930 1122638569 /nfs/dbraw/zinc/63/85/69/1122638569.db2.gz FIRYYBFCPUDDAB-AWEZNQCLSA-N 0 1 297.826 3.639 20 10 CHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775525737 1122645467 /nfs/dbraw/zinc/64/54/67/1122645467.db2.gz MWAFNMBVTKQVQQ-SUHUHFCYSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775552478 1122662137 /nfs/dbraw/zinc/66/21/37/1122662137.db2.gz VQSLIALKKNTYBG-SMDDNHRTSA-N 0 1 283.799 3.513 20 10 CHCDMN CC(C)C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000219269245 1122739776 /nfs/dbraw/zinc/73/97/76/1122739776.db2.gz SGPQWXGYGJWEHY-LLVKDONJSA-N 0 1 253.361 3.864 20 10 CHCDMN CCOc1cccc(C[N@H+]2CCCC[C@H](SC)C2)c1O ZINC000092064103 1122839850 /nfs/dbraw/zinc/83/98/50/1122839850.db2.gz ABOWQAUTYDVLHX-AWEZNQCLSA-N 0 1 295.448 3.508 20 10 CHCDMN C[N@@H+](Cc1ccc(F)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643736 1122852525 /nfs/dbraw/zinc/85/25/25/1122852525.db2.gz UFYMQRMAGHDTOU-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000775644700 1122855537 /nfs/dbraw/zinc/85/55/37/1122855537.db2.gz OFNKMNFTFFZAHI-UHFFFAOYSA-N 0 1 257.736 3.559 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000775650346 1122865815 /nfs/dbraw/zinc/86/58/15/1122865815.db2.gz AYABOOVARCXEQB-HNNXBMFYSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000775697776 1122911988 /nfs/dbraw/zinc/91/19/88/1122911988.db2.gz GKEULBGRFLSXLR-PHIMTYICSA-N 0 1 283.774 3.807 20 10 CHCDMN CC(C)N(Cc1cc(Cl)cc(F)c1O)CC(F)F ZINC000775742760 1122934480 /nfs/dbraw/zinc/93/44/80/1122934480.db2.gz WLMXXICBAFLVSC-UHFFFAOYSA-N 0 1 281.705 3.660 20 10 CHCDMN CCC(CC)(CCO)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840901813 1122971258 /nfs/dbraw/zinc/97/12/58/1122971258.db2.gz KBEAJPHPLPNTSK-UHFFFAOYSA-N 0 1 299.842 3.632 20 10 CHCDMN C[C@H](NCc1cccc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000775834953 1122985734 /nfs/dbraw/zinc/98/57/34/1122985734.db2.gz WWEKYGFLKCGENU-LBPRGKRZSA-N 0 1 289.810 3.652 20 10 CHCDMN COCc1csc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000850378215 1123260441 /nfs/dbraw/zinc/26/04/41/1123260441.db2.gz YICCBGCJJKYISY-UHFFFAOYSA-N 0 1 297.807 3.543 20 10 CHCDMN C[C@@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cscn1 ZINC000850511483 1123278335 /nfs/dbraw/zinc/27/83/35/1123278335.db2.gz GELYEKZPUOCOAT-FXPVBKGRSA-N 0 1 292.379 3.887 20 10 CHCDMN CN(Cc1ccccc1O)Cc1ccc(F)cc1Cl ZINC000109771862 1123326229 /nfs/dbraw/zinc/32/62/29/1123326229.db2.gz IDQPNWUJBVVIPL-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN CC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000112465876 1123491771 /nfs/dbraw/zinc/49/17/71/1123491771.db2.gz KVAQZXRDXZYTRO-AWEZNQCLSA-N 0 1 255.361 3.920 20 10 CHCDMN CC[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000112465876 1123491774 /nfs/dbraw/zinc/49/17/74/1123491774.db2.gz KVAQZXRDXZYTRO-AWEZNQCLSA-N 0 1 255.361 3.920 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccns1 ZINC000858576113 1123663970 /nfs/dbraw/zinc/66/39/70/1123663970.db2.gz IIYJXCMNJOWRFU-IUCAKERBSA-N 0 1 282.796 3.914 20 10 CHCDMN Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])nc1C ZINC000840782338 1123797604 /nfs/dbraw/zinc/79/76/04/1123797604.db2.gz ACMMIHSDBZKHFQ-LBPRGKRZSA-N 0 1 290.794 3.908 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cccc(F)c1 ZINC000083551585 1129151150 /nfs/dbraw/zinc/15/11/50/1129151150.db2.gz FBILAEPIINAIFA-UHFFFAOYSA-N 0 1 279.742 3.517 20 10 CHCDMN CCOCc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864027809 1123911820 /nfs/dbraw/zinc/91/18/20/1123911820.db2.gz KRFYZEZQOAYZLP-UHFFFAOYSA-N 0 1 293.313 3.819 20 10 CHCDMN COc1cc(NCc2ccc(F)c(F)c2O)c(C)cc1C ZINC000864034873 1123913092 /nfs/dbraw/zinc/91/30/92/1123913092.db2.gz CPTOHTNGJBVHPE-UHFFFAOYSA-N 0 1 293.313 3.908 20 10 CHCDMN CCc1nc(CN[C@@H](CC)c2ccc(C)cc2O)cs1 ZINC000794803615 1123953174 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1125022766 /nfs/dbraw/zinc/02/27/66/1125022766.db2.gz LQHXILHNPWYVOD-UHFFFAOYSA-N 0 1 297.826 3.745 20 10 CHCDMN CCCC[N@H+](CCC[C@H]1CCO1)Cc1ccccc1[O-] ZINC000877503421 1125036723 /nfs/dbraw/zinc/03/67/23/1125036723.db2.gz LPNYYOLSNGYPQD-INIZCTEOSA-N 0 1 277.408 3.563 20 10 CHCDMN CCCC[N@@H+](CCC[C@H]1CCO1)Cc1ccccc1[O-] ZINC000877503421 1125036729 /nfs/dbraw/zinc/03/67/29/1125036729.db2.gz LPNYYOLSNGYPQD-INIZCTEOSA-N 0 1 277.408 3.563 20 10 CHCDMN CC(C)c1cnc(CN[C@H](C)c2ccccc2O)s1 ZINC000877756029 1125071457 /nfs/dbraw/zinc/07/14/57/1125071457.db2.gz ZJTZWIZSOWMHSX-LLVKDONJSA-N 0 1 276.405 3.823 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccccc2O)cc1Cl ZINC000877758219 1125074975 /nfs/dbraw/zinc/07/49/75/1125074975.db2.gz NPQONMHKHXQIGX-NSHDSACASA-N 0 1 291.778 3.910 20 10 CHCDMN Cc1cc(O)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000826143187 1125252066 /nfs/dbraw/zinc/25/20/66/1125252066.db2.gz UGVYHGQRJZILSK-CYBMUJFWSA-N 0 1 287.737 3.585 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000826143187 1125252069 /nfs/dbraw/zinc/25/20/69/1125252069.db2.gz UGVYHGQRJZILSK-CYBMUJFWSA-N 0 1 287.737 3.585 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000826143187 1125252072 /nfs/dbraw/zinc/25/20/72/1125252072.db2.gz UGVYHGQRJZILSK-CYBMUJFWSA-N 0 1 287.737 3.585 20 10 CHCDMN C[C@H](c1ccco1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000131076726 1125373888 /nfs/dbraw/zinc/37/38/88/1125373888.db2.gz ZHHZAJXVWFXJKM-SNVBAGLBSA-N 0 1 265.740 3.832 20 10 CHCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000131076726 1125373889 /nfs/dbraw/zinc/37/38/89/1125373889.db2.gz ZHHZAJXVWFXJKM-SNVBAGLBSA-N 0 1 265.740 3.832 20 10 CHCDMN CC[C@@H]([NH2+]CCc1ccns1)c1cc(Cl)ccc1[O-] ZINC000883247159 1125384268 /nfs/dbraw/zinc/38/42/68/1125384268.db2.gz BBWILZXOTIWHOX-CYBMUJFWSA-N 0 1 296.823 3.786 20 10 CHCDMN C[C@@H]([N@@H+](C)Cc1cccc(Br)c1[O-])C1(C)CC1 ZINC000091900661 1129374572 /nfs/dbraw/zinc/37/45/72/1129374572.db2.gz IJHKYAGVPNORCZ-SNVBAGLBSA-N 0 1 298.224 3.775 20 10 CHCDMN CCc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000736358038 1129373153 /nfs/dbraw/zinc/37/31/53/1129373153.db2.gz PMSHMTWQVPPLCD-UHFFFAOYSA-N 0 1 289.806 3.940 20 10 CHCDMN CN(Cc1ccccc1O)Cc1cccc(Cl)c1F ZINC000091974640 1129376529 /nfs/dbraw/zinc/37/65/29/1129376529.db2.gz XEBYCRZMUHBYFT-UHFFFAOYSA-N 0 1 279.742 3.817 20 10 CHCDMN Cc1ccc2oc(CNCc3ccc4c(c3)CCO4)cc2c1 ZINC000740004795 1129408884 /nfs/dbraw/zinc/40/88/84/1129408884.db2.gz WLRKOZFDXXFDGC-UHFFFAOYSA-N 0 1 293.366 3.966 20 10 CHCDMN CCCO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000093317126 1129421198 /nfs/dbraw/zinc/42/11/98/1129421198.db2.gz ZCNMYJDDLKDVRX-HNNXBMFYSA-N 0 1 297.826 3.827 20 10 CHCDMN CCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000093317126 1129421200 /nfs/dbraw/zinc/42/12/00/1129421200.db2.gz ZCNMYJDDLKDVRX-HNNXBMFYSA-N 0 1 297.826 3.827 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC2(CCCC2)C1 ZINC000743390856 1129521603 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1129838174 /nfs/dbraw/zinc/83/81/74/1129838174.db2.gz MNIMZEFKBRACSB-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN COc1cccc(C[N@@H+](C)Cc2c([O-])cccc2Cl)c1 ZINC000768163260 1129838179 /nfs/dbraw/zinc/83/81/79/1129838179.db2.gz MNIMZEFKBRACSB-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN CCOc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000768545329 1129864022 /nfs/dbraw/zinc/86/40/22/1129864022.db2.gz XVNZPCRKCCSISN-LBPRGKRZSA-N 0 1 265.397 3.657 20 10 CHCDMN CCOc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000768545329 1129864026 /nfs/dbraw/zinc/86/40/26/1129864026.db2.gz XVNZPCRKCCSISN-LBPRGKRZSA-N 0 1 265.397 3.657 20 10 CHCDMN CCSCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000800492123 1129879514 /nfs/dbraw/zinc/87/95/14/1129879514.db2.gz CAQIFDVUIVGYMQ-JTQLQIEISA-N 0 1 273.829 3.839 20 10 CHCDMN CC(C)[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000768925363 1129881401 /nfs/dbraw/zinc/88/14/01/1129881401.db2.gz GTJZCIIPFKTIJF-UHFFFAOYSA-N 0 1 290.794 3.851 20 10 CHCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000768925363 1129881404 /nfs/dbraw/zinc/88/14/04/1129881404.db2.gz GTJZCIIPFKTIJF-UHFFFAOYSA-N 0 1 290.794 3.851 20 10 CHCDMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000384283160 1129905800 /nfs/dbraw/zinc/90/58/00/1129905800.db2.gz OTRASADWMMJYME-GXFFZTMASA-N 0 1 283.799 3.675 20 10 CHCDMN CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C)c([O-])c1 ZINC000769405952 1129907160 /nfs/dbraw/zinc/90/71/60/1129907160.db2.gz ZFMZSAGPCBCSPU-ZDUSSCGKSA-N 0 1 263.381 3.555 20 10 CHCDMN CCOc1ccc(C[N@H+]2CCCCC[C@@H]2C)c([O-])c1 ZINC000769405952 1129907161 /nfs/dbraw/zinc/90/71/61/1129907161.db2.gz ZFMZSAGPCBCSPU-ZDUSSCGKSA-N 0 1 263.381 3.555 20 10 CHCDMN CC(C)[N@H+](Cc1cc(Cl)ccc1[O-])C1CCC1 ZINC000769471027 1129912544 /nfs/dbraw/zinc/91/25/44/1129912544.db2.gz QBIZMDWLHZAVKS-UHFFFAOYSA-N 0 1 253.773 3.809 20 10 CHCDMN CC(C)[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCC1 ZINC000769471027 1129912546 /nfs/dbraw/zinc/91/25/46/1129912546.db2.gz QBIZMDWLHZAVKS-UHFFFAOYSA-N 0 1 253.773 3.809 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000769506891 1129915122 /nfs/dbraw/zinc/91/51/22/1129915122.db2.gz XZASGVIFVQRJOO-CQSZACIVSA-N 0 1 287.790 3.863 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000769506891 1129915123 /nfs/dbraw/zinc/91/51/23/1129915123.db2.gz XZASGVIFVQRJOO-CQSZACIVSA-N 0 1 287.790 3.863 20 10 CHCDMN CCCCN(Cc1ncc(CC)o1)Cc1ccccc1O ZINC000801595660 1129930881 /nfs/dbraw/zinc/93/08/81/1129930881.db2.gz HXPDMYHSCPONQC-UHFFFAOYSA-N 0 1 288.391 3.745 20 10 CHCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(C)CCCC1 ZINC000787337634 1130148513 /nfs/dbraw/zinc/14/85/13/1130148513.db2.gz NJLGHLCJXBJZSY-UHFFFAOYSA-N 0 1 298.770 3.718 20 10 CHCDMN Cc1ccc([C@@H](C)N[C@@H](c2ncccn2)C2CC2)c(O)c1C ZINC000903327365 1130156051 /nfs/dbraw/zinc/15/60/51/1130156051.db2.gz SDNMTWQPWPRFOV-CZUORRHYSA-N 0 1 297.402 3.601 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccc(Cl)cc1[O-] ZINC000903388973 1130169626 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C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c(O)cccc1Cl ZINC000793230036 1130531911 /nfs/dbraw/zinc/53/19/11/1130531911.db2.gz CNHVMBDPJMNNCI-WCBMZHEXSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000793230036 1130531917 /nfs/dbraw/zinc/53/19/17/1130531917.db2.gz CNHVMBDPJMNNCI-WCBMZHEXSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000793230036 1130531919 /nfs/dbraw/zinc/53/19/19/1130531919.db2.gz CNHVMBDPJMNNCI-WCBMZHEXSA-N 0 1 293.716 3.818 20 10 CHCDMN Cc1ccncc1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000793342329 1130541489 /nfs/dbraw/zinc/54/14/89/1130541489.db2.gz YEFSQHKYRHZKLL-UHFFFAOYSA-N 0 1 294.757 3.520 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Cl)ccc1[O-] ZINC000783310560 1130814807 /nfs/dbraw/zinc/81/48/07/1130814807.db2.gz PMQSEDCLCCQKIA-GXTWGEPZSA-N 0 1 281.783 3.779 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000783311585 1130814857 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GOKKQKZQLUZEIL-SKDRFNHKSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001140462433 1131749367 /nfs/dbraw/zinc/74/93/67/1131749367.db2.gz GOKKQKZQLUZEIL-SKDRFNHKSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001140462433 1131749375 /nfs/dbraw/zinc/74/93/75/1131749375.db2.gz GOKKQKZQLUZEIL-SKDRFNHKSA-N 0 1 287.737 3.523 20 10 CHCDMN Cc1noc(C)c1[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835040233 1131763000 /nfs/dbraw/zinc/76/30/00/1131763000.db2.gz OICSMSZYKAAAFB-FWWRYZNZSA-N 0 1 299.418 3.721 20 10 CHCDMN CN1CC[C@@H](Oc2ccccc2NN=C2C=CC=CC2=O)C1 ZINC001228420290 1131879308 /nfs/dbraw/zinc/87/93/08/1131879308.db2.gz UIFTVWMMZMANHM-NIVDNSEKSA-N 0 1 297.358 3.891 20 10 CHCDMN CN(C)c1ccc(CN2CC3(C2)CCCC3)c(Cl)c1 ZINC001140922111 1131963376 /nfs/dbraw/zinc/96/33/76/1131963376.db2.gz HLLSQFMBMUPTAQ-UHFFFAOYSA-N 0 1 278.827 3.782 20 10 CHCDMN C[N@@H+](Cc1ccc2cc(F)ccc2n1)Cc1ccccc1O ZINC001141650949 1132225022 /nfs/dbraw/zinc/22/50/22/1132225022.db2.gz PJPBRUBBUQNGTI-UHFFFAOYSA-N 0 1 296.345 3.712 20 10 CHCDMN COC1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000840791669 1132287382 /nfs/dbraw/zinc/28/73/82/1132287382.db2.gz BPIWHNLQPCGTMD-PKSQDBQZSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1cc(Cl)ccc1[O-] ZINC000840815782 1132290948 /nfs/dbraw/zinc/29/09/48/1132290948.db2.gz HOVLWYWVEAXIDK-MFKMUULPSA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@H](N[C@H](C)c1ccn(C)n1)c1cc(Cl)ccc1O ZINC000840815782 1132290954 /nfs/dbraw/zinc/29/09/54/1132290954.db2.gz HOVLWYWVEAXIDK-MFKMUULPSA-N 0 1 293.798 3.581 20 10 CHCDMN Cc1occc1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840883649 1132302628 /nfs/dbraw/zinc/30/26/28/1132302628.db2.gz HCGJVRBZSZSEER-UHFFFAOYSA-N 0 1 265.740 3.545 20 10 CHCDMN COCCC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CCC1 ZINC000840904599 1132308308 /nfs/dbraw/zinc/30/83/08/1132308308.db2.gz BRBLFYMNEXNWGT-UHFFFAOYSA-N 0 1 297.826 3.650 20 10 CHCDMN Oc1ccc2ccccc2c1CN1CCC(F)(F)[C@H](F)C1 ZINC001231587365 1132318404 /nfs/dbraw/zinc/31/84/04/1132318404.db2.gz ADUBTGPLRYJTQP-OAHLLOKOSA-N 0 1 295.304 3.725 20 10 CHCDMN CO[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001172922623 1132363239 /nfs/dbraw/zinc/36/32/39/1132363239.db2.gz IYRVPKZMEBZPGQ-DLBZAZTESA-N 0 1 285.387 3.593 20 10 CHCDMN Cc1cc(C)c(CN(C)Cc2nc3ccccc3o2)c(O)c1 ZINC001231849546 1132379982 /nfs/dbraw/zinc/37/99/82/1132379982.db2.gz RGSBDGHWRQEXIW-UHFFFAOYSA-N 0 1 296.370 3.782 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2CCC(C)(F)CC2)cc1Cl ZINC001231869503 1132382992 /nfs/dbraw/zinc/38/29/92/1132382992.db2.gz UKIPDPVSIDAGLI-UHFFFAOYSA-N 0 1 271.763 3.678 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](CC2CC2)C(C)C)cc1Cl ZINC001231870733 1132385031 /nfs/dbraw/zinc/38/50/31/1132385031.db2.gz QUHCSJVWSPTXDP-UHFFFAOYSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(F)F)C2)cc1Cl ZINC001231870851 1132385386 /nfs/dbraw/zinc/38/53/86/1132385386.db2.gz VFSWXWWGDMLORH-SNVBAGLBSA-N 0 1 289.753 3.831 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(F)F)C2)cc1Cl ZINC001231870851 1132385394 /nfs/dbraw/zinc/38/53/94/1132385394.db2.gz VFSWXWWGDMLORH-SNVBAGLBSA-N 0 1 289.753 3.831 20 10 CHCDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCC[C@@]1(C)O ZINC001231879574 1132389083 /nfs/dbraw/zinc/38/90/83/1132389083.db2.gz IZCXNJXCKWVHOW-IFXJQAMLSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCC[C@@]1(C)O ZINC001231879574 1132389091 /nfs/dbraw/zinc/38/90/91/1132389091.db2.gz IZCXNJXCKWVHOW-IFXJQAMLSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841751191 1132389342 /nfs/dbraw/zinc/38/93/42/1132389342.db2.gz MILRQXZGGSHEHP-IAQYHMDHSA-N 0 1 297.826 3.637 20 10 CHCDMN Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841748531 1132391003 /nfs/dbraw/zinc/39/10/03/1132391003.db2.gz ALQBZWBOZCZLKP-QMMMGPOBSA-N 0 1 296.823 3.970 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCCC[C@@H](F)C2)ccc2ccccc21 ZINC001231879615 1132392377 /nfs/dbraw/zinc/39/23/77/1132392377.db2.gz KQWUXYXZOIFHKB-OAHLLOKOSA-N 0 1 273.351 3.869 20 10 CHCDMN [O-]c1c(C[N@H+]2CCCC[C@@H](F)C2)ccc2ccccc21 ZINC001231879615 1132392384 /nfs/dbraw/zinc/39/23/84/1132392384.db2.gz KQWUXYXZOIFHKB-OAHLLOKOSA-N 0 1 273.351 3.869 20 10 CHCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc2ccccc21 ZINC001231879347 1132392407 /nfs/dbraw/zinc/39/24/07/1132392407.db2.gz CGPTXAFTCKNZNF-MAUKXSAKSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc2ccccc21 ZINC001231879347 1132392415 /nfs/dbraw/zinc/39/24/15/1132392415.db2.gz CGPTXAFTCKNZNF-MAUKXSAKSA-N 0 1 297.398 3.546 20 10 CHCDMN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757627 1132393880 /nfs/dbraw/zinc/39/38/80/1132393880.db2.gz NYKROSLFFBJNBR-PSOPSSQASA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841764882 1132397325 /nfs/dbraw/zinc/39/73/25/1132397325.db2.gz SOHTZMRSEDXLSY-SECBINFHSA-N 0 1 294.782 3.544 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001231910660 1132398167 /nfs/dbraw/zinc/39/81/67/1132398167.db2.gz PVKIDHUHTUYLHW-NEPJUHHUSA-N 0 1 265.784 3.668 20 10 CHCDMN C[C@@]1(F)CCCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231910614 1132399995 /nfs/dbraw/zinc/39/99/95/1132399995.db2.gz PGKFIFBTKBZPFW-CQSZACIVSA-N 0 1 271.763 3.760 20 10 CHCDMN Oc1c(Cl)cccc1CN1CCCCC(F)(F)C1 ZINC001231909828 1132400595 /nfs/dbraw/zinc/40/05/95/1132400595.db2.gz QPWRFSZQWISLEI-UHFFFAOYSA-N 0 1 275.726 3.667 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC2(CCCC2)C1 ZINC001142508553 1132403579 /nfs/dbraw/zinc/40/35/79/1132403579.db2.gz CQHRMGIRFZIDJO-UHFFFAOYSA-N 0 1 281.346 3.827 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2cc(Cl)c([O-])cc2O)C[C@H]1C ZINC001232258636 1132444890 /nfs/dbraw/zinc/44/48/90/1132444890.db2.gz BNRWHEIZFDZROZ-WDEREUQCSA-N 0 1 283.799 3.619 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])cc2O)C[C@H]1C ZINC001232258636 1132444894 /nfs/dbraw/zinc/44/48/94/1132444894.db2.gz BNRWHEIZFDZROZ-WDEREUQCSA-N 0 1 283.799 3.619 20 10 CHCDMN [O-]c1cc(O)c(C[NH+]2CCCCCCCC2)cc1Cl ZINC001232263893 1132445106 /nfs/dbraw/zinc/44/51/06/1132445106.db2.gz XASUIHLIGADALC-UHFFFAOYSA-N 0 1 283.799 3.907 20 10 CHCDMN [O-]c1cc(O)c(C[N@@H+]2CCCC3(CCC3)C2)cc1Cl ZINC001232263113 1132445342 /nfs/dbraw/zinc/44/53/42/1132445342.db2.gz HJUWBAXEOMKQQL-UHFFFAOYSA-N 0 1 281.783 3.517 20 10 CHCDMN [O-]c1cc(O)c(C[N@H+]2CCCC3(CCC3)C2)cc1Cl ZINC001232263113 1132445349 /nfs/dbraw/zinc/44/53/49/1132445349.db2.gz HJUWBAXEOMKQQL-UHFFFAOYSA-N 0 1 281.783 3.517 20 10 CHCDMN C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(Cl)ccc1[O-] ZINC000842927639 1132475707 /nfs/dbraw/zinc/47/57/07/1132475707.db2.gz FMVCUPOPTKNQOI-SBFPOUOMSA-N 0 1 265.784 3.885 20 10 CHCDMN Cc1cccc(F)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC001232487828 1132479938 /nfs/dbraw/zinc/47/99/38/1132479938.db2.gz VTTZHMIWDVZSKU-UHFFFAOYSA-N 0 1 286.394 3.832 20 10 CHCDMN C[N@@H+](Cc1cccc(C(C)(C)C)c1O)C1CC(F)(F)C1 ZINC001143103433 1132501871 /nfs/dbraw/zinc/50/18/71/1132501871.db2.gz DBDYRCHMTXZRLA-UHFFFAOYSA-N 0 1 283.362 3.919 20 10 CHCDMN CC[N@@H+](Cc1ccc(N(C)C)cc1O)C1CCCCC1 ZINC001232834736 1132527977 /nfs/dbraw/zinc/52/79/77/1132527977.db2.gz LBGUWHHAAGWUQL-UHFFFAOYSA-N 0 1 276.424 3.613 20 10 CHCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])CC(F)F ZINC000843418308 1132531046 /nfs/dbraw/zinc/53/10/46/1132531046.db2.gz BCJBQXSRWCCZAH-NSHDSACASA-N 0 1 279.330 3.926 20 10 CHCDMN [O-]c1c(C[N@H+]2CC[C@@H]2c2ccccc2)ccc(F)c1F ZINC001233078004 1132570141 /nfs/dbraw/zinc/57/01/41/1132570141.db2.gz CFWLNTJGXFQTDV-CQSZACIVSA-N 0 1 275.298 3.617 20 10 CHCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001233335365 1132603559 /nfs/dbraw/zinc/60/35/59/1132603559.db2.gz RWALIQPJWUGOOP-RISCZKNCSA-N 0 1 281.346 3.825 20 10 CHCDMN Cc1ccccc1C[N@H+](C)Cc1c([O-])ccc(F)c1F ZINC001233334438 1132604215 /nfs/dbraw/zinc/60/42/15/1132604215.db2.gz GZUIYVZDFYWVFF-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)CCC1(F)F ZINC001233332202 1132604368 /nfs/dbraw/zinc/60/43/68/1132604368.db2.gz CDAKXSJPSHYFJM-SECBINFHSA-N 0 1 291.288 3.538 20 10 CHCDMN Oc1cccc2c1C[N@@H+](Cc1cc3cccnc3s1)CC2 ZINC001233349370 1132608807 /nfs/dbraw/zinc/60/88/07/1132608807.db2.gz PEHNNWQFYAKVTL-UHFFFAOYSA-N 0 1 296.395 3.560 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC23CCCC3)cccc1C(F)(F)F ZINC001233416812 1132618028 /nfs/dbraw/zinc/61/80/28/1132618028.db2.gz XGDNFJQTQJGCDF-UHFFFAOYSA-N 0 1 285.309 3.930 20 10 CHCDMN CC[C@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416256 1132619313 /nfs/dbraw/zinc/61/93/13/1132619313.db2.gz BPKJFFOZKAOPTN-VIFPVBQESA-N 0 1 261.287 3.641 20 10 CHCDMN CC[N@H+](Cc1ccc(C(F)(F)F)cc1[O-])C(C)C ZINC001233451209 1132626061 /nfs/dbraw/zinc/62/60/61/1132626061.db2.gz BTBGPWFURAHFRI-UHFFFAOYSA-N 0 1 261.287 3.641 20 10 CHCDMN CC[N@@H+](Cc1ccc(C(F)(F)F)cc1[O-])C(C)C ZINC001233451209 1132626064 /nfs/dbraw/zinc/62/60/64/1132626064.db2.gz BTBGPWFURAHFRI-UHFFFAOYSA-N 0 1 261.287 3.641 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CC2CCC1CC2 ZINC001233454124 1132626292 /nfs/dbraw/zinc/62/62/92/1132626292.db2.gz HURXIPPDCCUVLW-UHFFFAOYSA-N 0 1 285.309 3.785 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CC2CCC1CC2 ZINC001233454124 1132626297 /nfs/dbraw/zinc/62/62/97/1132626297.db2.gz HURXIPPDCCUVLW-UHFFFAOYSA-N 0 1 285.309 3.785 20 10 CHCDMN C[N@H+](Cc1cccc(OC(F)(F)F)c1O)CC1CCC1 ZINC001233760802 1132674801 /nfs/dbraw/zinc/67/48/01/1132674801.db2.gz KGONDUTYAKYVOB-UHFFFAOYSA-N 0 1 289.297 3.523 20 10 CHCDMN C[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])CC1CCC1 ZINC001233760802 1132674803 /nfs/dbraw/zinc/67/48/03/1132674803.db2.gz KGONDUTYAKYVOB-UHFFFAOYSA-N 0 1 289.297 3.523 20 10 CHCDMN C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])CC1CCC1 ZINC001233760802 1132674807 /nfs/dbraw/zinc/67/48/07/1132674807.db2.gz KGONDUTYAKYVOB-UHFFFAOYSA-N 0 1 289.297 3.523 20 10 CHCDMN Cc1cc2ccccc2c(NCc2ccc(O)c(O)c2)n1 ZINC001158997295 1132801219 /nfs/dbraw/zinc/80/12/19/1132801219.db2.gz CBUANMPDUKTTPJ-UHFFFAOYSA-N 0 1 280.327 3.567 20 10 CHCDMN Cc1ccc(CNCc2c(O)cccc2Cl)c(Cl)n1 ZINC001203497756 1133334476 /nfs/dbraw/zinc/33/44/76/1133334476.db2.gz WKZOBASEFWAKCX-UHFFFAOYSA-N 0 1 297.185 3.692 20 10 CHCDMN C[N@H+](Cc1ccccc1[O-])C(C)(C)Cc1ccccc1 ZINC001203558672 1133339741 /nfs/dbraw/zinc/33/97/41/1133339741.db2.gz UNKMYDGOPCZORV-UHFFFAOYSA-N 0 1 269.388 3.845 20 10 CHCDMN C[N@@H+](Cc1ccccc1[O-])C(C)(C)Cc1ccccc1 ZINC001203558672 1133339747 /nfs/dbraw/zinc/33/97/47/1133339747.db2.gz UNKMYDGOPCZORV-UHFFFAOYSA-N 0 1 269.388 3.845 20 10 CHCDMN Oc1cccc2c1CN(Cc1ccc(Cl)cc1)CC2 ZINC001203922829 1133385656 /nfs/dbraw/zinc/38/56/56/1133385656.db2.gz CKGWCWGLOLZJCG-UHFFFAOYSA-N 0 1 273.763 3.604 20 10 CHCDMN CC[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001204388370 1133441538 /nfs/dbraw/zinc/44/15/38/1133441538.db2.gz BKANOOCJZIKCSB-NSHDSACASA-N 0 1 253.773 3.586 20 10 CHCDMN CC[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001204388370 1133441541 /nfs/dbraw/zinc/44/15/41/1133441541.db2.gz BKANOOCJZIKCSB-NSHDSACASA-N 0 1 253.773 3.586 20 10 CHCDMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001204769444 1133483259 /nfs/dbraw/zinc/48/32/59/1133483259.db2.gz UVDDDTFGXJXQDC-VHSXEESVSA-N 0 1 271.763 3.805 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC001206490346 1133709358 /nfs/dbraw/zinc/70/93/58/1133709358.db2.gz MAJIVXBXKSRAAS-CQSZACIVSA-N 0 1 295.810 3.627 20 10 CHCDMN Oc1cc(Cl)ccc1CNc1ccc2c(n1)CCCC2 ZINC001207449301 1133803111 /nfs/dbraw/zinc/80/31/11/1133803111.db2.gz VNYCZVLKIBTJKD-UHFFFAOYSA-N 0 1 288.778 3.932 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC001207700922 1133839460 /nfs/dbraw/zinc/83/94/60/1133839460.db2.gz VQWMMRUBCIHDIM-CQSZACIVSA-N 0 1 295.810 3.627 20 10 CHCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CCc2ccccc21 ZINC000166372864 1133917300 /nfs/dbraw/zinc/91/73/00/1133917300.db2.gz KATIBPZBRSLIMM-INIZCTEOSA-N 0 1 271.335 3.651 20 10 CHCDMN Oc1cccc(Nc2cc(Cl)c(O)c(Cl)c2)c1O ZINC001210927398 1134330185 /nfs/dbraw/zinc/33/01/85/1134330185.db2.gz LSOBDHHQDXAVJZ-UHFFFAOYSA-N 0 1 286.114 3.854 20 10 CHCDMN CCN(CC)c1ccc(CNCc2cc(C)ns2)cc1 ZINC000404403890 1134945249 /nfs/dbraw/zinc/94/52/49/1134945249.db2.gz SXLYWIBUZCTXLB-UHFFFAOYSA-N 0 1 289.448 3.588 20 10 CHCDMN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)o1 ZINC000020146069 171032105 /nfs/dbraw/zinc/03/21/05/171032105.db2.gz QFGZJVFXQLZGNI-CYBMUJFWSA-N 0 1 258.365 3.505 20 10 CHCDMN COc1ccc(O)c(CN[C@@H](C)c2c(F)cccc2F)c1 ZINC000037771990 260116358 /nfs/dbraw/zinc/11/63/58/260116358.db2.gz KIXSRSVXSRMGRT-JTQLQIEISA-N 0 1 293.313 3.530 20 10 CHCDMN CC[C@](C)(NCc1cc(C)ccc1O)c1nccs1 ZINC000152628723 261066743 /nfs/dbraw/zinc/06/67/43/261066743.db2.gz VQLDTDKGGLSZBS-HNNXBMFYSA-N 0 1 276.405 3.572 20 10 CHCDMN COCCC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000183943166 262000816 /nfs/dbraw/zinc/00/08/16/262000816.db2.gz UIDQDUMEUHIWFL-NSHDSACASA-N 0 1 285.815 3.759 20 10 CHCDMN CO[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000370707306 267340593 /nfs/dbraw/zinc/34/05/93/267340593.db2.gz NTBMHHYPHYVTCH-HNNXBMFYSA-N 0 1 285.387 3.546 20 10 CHCDMN CO[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000370707306 267340597 /nfs/dbraw/zinc/34/05/97/267340597.db2.gz NTBMHHYPHYVTCH-HNNXBMFYSA-N 0 1 285.387 3.546 20 10 CHCDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc(C)c2O)n1 ZINC000180277717 329219470 /nfs/dbraw/zinc/21/94/70/329219470.db2.gz RFRPPWHLCCCKLE-QGZVFWFLSA-N 0 1 282.387 3.741 20 10 CHCDMN C[C@H]([NH2+]CC1CC=CC1)c1ccc(Br)cc1[O-] ZINC000527951690 330294471 /nfs/dbraw/zinc/29/44/71/330294471.db2.gz ROGVNADGDGSTNU-JTQLQIEISA-N 0 1 296.208 3.772 20 10 CHCDMN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000527925209 330296497 /nfs/dbraw/zinc/29/64/97/330296497.db2.gz IJEZJULSIRSTED-NWDGAFQWSA-N 0 1 283.799 3.513 20 10 CHCDMN CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000230661816 333319996 /nfs/dbraw/zinc/31/99/96/333319996.db2.gz ZGBPQDYBECLOPU-UGSOOPFHSA-N 0 1 287.403 3.747 20 10 CHCDMN Cc1cc(Cl)cc(CN[C@@H](C)c2ncccc2F)c1O ZINC000529689372 333506009 /nfs/dbraw/zinc/50/60/09/333506009.db2.gz OEDFRSCJPZDWMG-JTQLQIEISA-N 0 1 294.757 3.739 20 10 CHCDMN C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000296604037 334912939 /nfs/dbraw/zinc/91/29/39/334912939.db2.gz VVSZALOXXDCXEV-KGLIPLIRSA-N 0 1 287.403 3.747 20 10 CHCDMN COc1cc(C)cc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000127274702 522243591 /nfs/dbraw/zinc/24/35/91/522243591.db2.gz CURRAZCQHQMDNI-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN COCC1(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000293635004 522863303 /nfs/dbraw/zinc/86/33/03/522863303.db2.gz GUIVITJSOSBSIF-LBPRGKRZSA-N 0 1 297.826 3.903 20 10 CHCDMN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000290432464 523121335 /nfs/dbraw/zinc/12/13/35/523121335.db2.gz LKSMCMIGAAZYGN-HNNXBMFYSA-N 0 1 274.339 3.509 20 10 CHCDMN Cc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)on1 ZINC000125495070 524778578 /nfs/dbraw/zinc/77/85/78/524778578.db2.gz AXGVQLMRUDQUCM-OAHLLOKOSA-N 0 1 299.418 3.824 20 10 CHCDMN C[C@H]1[C@@H](C)[N@@H+](Cc2c([O-])cccc2Br)C[C@H]1C ZINC000707138832 1118642811 /nfs/dbraw/zinc/64/28/11/1118642811.db2.gz IDDACCIGBWYJTL-GMTAPVOTSA-N 0 1 298.224 3.631 20 10 CHCDMN C[C@H]1[C@@H](C)[N@H+](Cc2c([O-])cccc2Br)C[C@H]1C ZINC000707138832 1118642813 /nfs/dbraw/zinc/64/28/13/1118642813.db2.gz IDDACCIGBWYJTL-GMTAPVOTSA-N 0 1 298.224 3.631 20 10 CHCDMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707145496 1118647500 /nfs/dbraw/zinc/64/75/00/1118647500.db2.gz GLXPAGVLPWBOCL-LLVKDONJSA-N 0 1 298.224 3.919 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCSC2)cc1Cl ZINC000825940288 1125019563 /nfs/dbraw/zinc/01/95/63/1125019563.db2.gz RTYVIBKWWIZLEZ-LLVKDONJSA-N 0 1 285.840 3.587 20 10 CHCDMN Cc1cc(O)c(CN2CC(C)(C)OC(C)(C)C2)cc1Cl ZINC001231870252 1132383792 /nfs/dbraw/zinc/38/37/92/1132383792.db2.gz PXUIGHMOJFPVBY-UHFFFAOYSA-N 0 1 297.826 3.743 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001231869258 1132384223 /nfs/dbraw/zinc/38/42/23/1132384223.db2.gz NVEWQFIJRXTFTA-VXGBXAGGSA-N 0 1 265.784 3.586 20 10 CHCDMN C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743615 1125568295 /nfs/dbraw/zinc/56/82/95/1125568295.db2.gz IRSLPNZIVHZYNZ-QWRGUYRKSA-N 0 1 279.767 3.920 20 10 CHCDMN CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756755 1125597033 /nfs/dbraw/zinc/59/70/33/1125597033.db2.gz JXWMBCWPLPBNOC-WDEREUQCSA-N 0 1 293.798 3.674 20 10 CHCDMN CCOc1ccc(O)c(CNCc2cscc2Cl)c1 ZINC000886199279 1125661458 /nfs/dbraw/zinc/66/14/58/1125661458.db2.gz QIWJDHXOVWMDKF-UHFFFAOYSA-N 0 1 297.807 3.796 20 10 CHCDMN Cc1cccc(CN[C@H](C)c2c(F)cccc2F)c1O ZINC000158112872 1126746790 /nfs/dbraw/zinc/74/67/90/1126746790.db2.gz PCHBXVQXMWJIBM-LLVKDONJSA-N 0 1 277.314 3.830 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@@H]1C ZINC000133713052 1126787266 /nfs/dbraw/zinc/78/72/66/1126787266.db2.gz BZRFDNOIEJTVHA-GHMZBOCLSA-N 0 1 298.224 3.775 20 10 CHCDMN Cc1occc1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179839764 1126834711 /nfs/dbraw/zinc/83/47/11/1126834711.db2.gz FVECQIVHIDKFHN-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN Oc1ccc(F)cc1CNC1(c2nccs2)CCCC1 ZINC000180740947 1126848229 /nfs/dbraw/zinc/84/82/29/1126848229.db2.gz UDJQMISOUOUSQQ-UHFFFAOYSA-N 0 1 292.379 3.547 20 10 CHCDMN COCc1cccc(N[C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187843558 1126915934 /nfs/dbraw/zinc/91/59/34/1126915934.db2.gz IUKPVCMZUYHYKX-SNVBAGLBSA-N 0 1 293.313 3.990 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCCCCCC1 ZINC001237126479 1131055692 /nfs/dbraw/zinc/05/56/92/1131055692.db2.gz LQUBUUQRRCFOAK-UHFFFAOYSA-N 0 1 271.763 3.951 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@H](F)CC1 ZINC001237121380 1131055213 /nfs/dbraw/zinc/05/52/13/1131055213.db2.gz LUQZVDLYMNWUKM-VIFPVBQESA-N 0 1 275.726 3.509 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H](F)CC1 ZINC001237121380 1131055219 /nfs/dbraw/zinc/05/52/19/1131055219.db2.gz LUQZVDLYMNWUKM-VIFPVBQESA-N 0 1 275.726 3.509 20 10 CHCDMN Cc1cc(Cl)cc(CN2CCC[C@](C)(F)C2)c1O ZINC001237681811 1131127417 /nfs/dbraw/zinc/12/74/17/1131127417.db2.gz SXMWVBGWTFZOLS-AWEZNQCLSA-N 0 1 271.763 3.678 20 10 CHCDMN COc1cc(Cl)cc(CN(C)Cc2ccsc2)c1O ZINC000761183457 1127507258 /nfs/dbraw/zinc/50/72/58/1127507258.db2.gz KMEZMKHWEYWSFM-UHFFFAOYSA-N 0 1 297.807 3.748 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1c(O)cccc1Cl ZINC000761225405 1127550369 /nfs/dbraw/zinc/55/03/69/1127550369.db2.gz GWPSAFYOPKAPCZ-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN CC[N@H+](CCC1CC1)Cc1c([O-])cccc1Cl ZINC000761225405 1127550370 /nfs/dbraw/zinc/55/03/70/1127550370.db2.gz GWPSAFYOPKAPCZ-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1c([O-])cccc1Cl ZINC000761225405 1127550373 /nfs/dbraw/zinc/55/03/73/1127550373.db2.gz GWPSAFYOPKAPCZ-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](CC(C)C)C(C)C)c1[O-] ZINC000228629795 1127576218 /nfs/dbraw/zinc/57/62/18/1127576218.db2.gz ONQRJHHPJHYRKG-UHFFFAOYSA-N 0 1 285.815 3.921 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](CC(C)C)C(C)C)c1[O-] ZINC000228629795 1127576221 /nfs/dbraw/zinc/57/62/21/1127576221.db2.gz ONQRJHHPJHYRKG-UHFFFAOYSA-N 0 1 285.815 3.921 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)[C@H](C)C(C)(C)C)c1[O-] ZINC000228627022 1127576481 /nfs/dbraw/zinc/57/64/81/1127576481.db2.gz NTNZMYICGNEYAQ-SNVBAGLBSA-N 0 1 285.815 3.921 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C(C)(C)C)c1[O-] ZINC000228627022 1127576483 /nfs/dbraw/zinc/57/64/83/1127576483.db2.gz NTNZMYICGNEYAQ-SNVBAGLBSA-N 0 1 285.815 3.921 20 10 CHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCC1=CCCC1 ZINC000229200958 1127659958 /nfs/dbraw/zinc/65/99/58/1127659958.db2.gz QIELVDHJACNTFP-UHFFFAOYSA-N 0 1 296.208 3.745 20 10 CHCDMN C[C@H](CCCO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000296577967 1129222519 /nfs/dbraw/zinc/22/25/19/1129222519.db2.gz UBTPESOIDBLCAL-ZIAGYGMSSA-N 0 1 287.403 3.605 20 10 CHCDMN CC[N@@H+](Cc1ccc(F)cc1)Cc1c([O-])ccc(F)c1F ZINC001233335495 1127951975 /nfs/dbraw/zinc/95/19/75/1127951975.db2.gz XXYDMUTTZHITMD-UHFFFAOYSA-N 0 1 295.304 3.832 20 10 CHCDMN CC(C)OC1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000130197572 1128102647 /nfs/dbraw/zinc/10/26/47/1128102647.db2.gz KEERNDJBEHZGLE-UHFFFAOYSA-N 0 1 297.826 3.871 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000252151797 1128115619 /nfs/dbraw/zinc/11/56/19/1128115619.db2.gz MPKSUGGPLSTEDZ-MNOVXSKESA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000252151797 1128115620 /nfs/dbraw/zinc/11/56/20/1128115620.db2.gz MPKSUGGPLSTEDZ-MNOVXSKESA-N 0 1 298.224 3.775 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(Br)ccc1[O-] ZINC000134911256 1128115647 /nfs/dbraw/zinc/11/56/47/1128115647.db2.gz ODLPJSHVCBVSKT-DTWKUNHWSA-N 0 1 284.197 3.604 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000926951917 1128205814 /nfs/dbraw/zinc/20/58/14/1128205814.db2.gz ZUYISKOKWGWNAO-VHSKPIJISA-N 0 1 293.716 3.895 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000926951916 1128206058 /nfs/dbraw/zinc/20/60/58/1128206058.db2.gz ZUYISKOKWGWNAO-DKCNOQQISA-N 0 1 293.716 3.895 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000927028457 1128208705 /nfs/dbraw/zinc/20/87/05/1128208705.db2.gz ADDHDUFTMDCXMQ-FOGDFJRCSA-N 0 1 285.840 3.980 20 10 CHCDMN CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000927133370 1128221467 /nfs/dbraw/zinc/22/14/67/1128221467.db2.gz CITJDOIEFNMLMQ-VIFPVBQESA-N 0 1 294.782 3.755 20 10 CHCDMN C[C@H]([NH2+]CCN1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000193684322 1128330524 /nfs/dbraw/zinc/33/05/24/1128330524.db2.gz WMTOJLIAQLDWIW-HNNXBMFYSA-N 0 1 298.430 3.682 20 10 CHCDMN C[C@@H]1c2ccsc2CCN1Cc1cc(F)ccc1O ZINC000778995537 1128674864 /nfs/dbraw/zinc/67/48/64/1128674864.db2.gz ZBNLVSWCSSGRQI-SNVBAGLBSA-N 0 1 277.364 3.712 20 10 CHCDMN Oc1ccc(F)cc1CN(Cc1ccccc1F)C1CC1 ZINC000778995150 1128675828 /nfs/dbraw/zinc/67/58/28/1128675828.db2.gz RAKFCAPRQYIPLX-UHFFFAOYSA-N 0 1 289.325 3.835 20 10 CHCDMN CCS[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779015666 1128679836 /nfs/dbraw/zinc/67/98/36/1128679836.db2.gz AOEFUAAPOHEGBZ-AWEZNQCLSA-N 0 1 283.412 3.639 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cc(Cl)ccc1[O-] ZINC000779089655 1128726764 /nfs/dbraw/zinc/72/67/64/1128726764.db2.gz VDXZVYGFVZWRIV-CQDKDKBSSA-N 0 1 297.826 3.637 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Cl)CC1CCCC1 ZINC000211491369 1118063378 /nfs/dbraw/zinc/06/33/78/1118063378.db2.gz IPGREWFLIDHTBS-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)CC1CCCC1 ZINC000211491369 1118063376 /nfs/dbraw/zinc/06/33/76/1118063376.db2.gz IPGREWFLIDHTBS-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000816571585 1118138804 /nfs/dbraw/zinc/13/88/04/1118138804.db2.gz IZRAYWAVDIMDAI-UHFFFAOYSA-N 0 1 269.747 3.561 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOc1ccccc1 ZINC000083551611 1118356691 /nfs/dbraw/zinc/35/66/91/1118356691.db2.gz WBGYLLOXUHOGSH-UHFFFAOYSA-N 0 1 291.778 3.604 20 10 CHCDMN C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc2ccccc2c1[O-] ZINC000313016790 1118525082 /nfs/dbraw/zinc/52/50/82/1118525082.db2.gz GZFGIPRPQVLJSI-BLLLJJGKSA-N 0 1 285.387 3.621 20 10 CHCDMN CCCCCC[NH2+]Cc1c([O-])cccc1Br ZINC000706875091 1118558784 /nfs/dbraw/zinc/55/87/84/1118558784.db2.gz NCVDMUKQEIOXTG-UHFFFAOYSA-N 0 1 286.213 3.825 20 10 CHCDMN C[C@H]1CCSCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000189915048 1128787954 /nfs/dbraw/zinc/78/79/54/1128787954.db2.gz UGPIMMWAJUXHDC-ZDUSSCGKSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@H]1CCSCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000189915048 1128787956 /nfs/dbraw/zinc/78/79/56/1128787956.db2.gz UGPIMMWAJUXHDC-ZDUSSCGKSA-N 0 1 287.428 3.873 20 10 CHCDMN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707145496 1118647499 /nfs/dbraw/zinc/64/74/99/1118647499.db2.gz GLXPAGVLPWBOCL-LLVKDONJSA-N 0 1 298.224 3.919 20 10 CHCDMN C[C@H]1CCC[C@H](C)[NH+]1Cc1c([O-])cccc1Br ZINC000707147258 1118648048 /nfs/dbraw/zinc/64/80/48/1118648048.db2.gz WDBZUJBMAUEOFX-QWRGUYRKSA-N 0 1 298.224 3.918 20 10 CHCDMN COc1cccc(CNc2ccnc3cc(F)ccc32)c1O ZINC000091479174 1119234520 /nfs/dbraw/zinc/23/45/20/1119234520.db2.gz TVWKYBFPAHBCLJ-UHFFFAOYSA-N 0 1 298.317 3.700 20 10 CHCDMN CCOc1cccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c1O ZINC000168247397 1119427315 /nfs/dbraw/zinc/42/73/15/1119427315.db2.gz IFLUVVTVPFGWLX-RDBSUJKOSA-N 0 1 277.408 3.657 20 10 CHCDMN COc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1Cl ZINC000179402292 1119734786 /nfs/dbraw/zinc/73/47/86/1119734786.db2.gz BCWFLPIVFXXQJN-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(Cl)cc1[O-] ZINC000850536156 1119973034 /nfs/dbraw/zinc/97/30/34/1119973034.db2.gz HPMWFPDXXMFWGO-QPUJVOFHSA-N 0 1 275.726 3.742 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1cncs1 ZINC000903310821 1120080533 /nfs/dbraw/zinc/08/05/33/1120080533.db2.gz LNNVMHKFUKTLTM-RKDXNWHRSA-N 0 1 282.796 3.914 20 10 CHCDMN C[C@H]([NH2+]CCCCF)c1cc(Br)ccc1[O-] ZINC000309475626 1120085835 /nfs/dbraw/zinc/08/58/35/1120085835.db2.gz RVXILUIXUSCUOP-VIFPVBQESA-N 0 1 290.176 3.555 20 10 CHCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])C1(C)C ZINC001116481999 1120129608 /nfs/dbraw/zinc/12/96/08/1120129608.db2.gz AXRJURVUAAAHCP-UHFFFAOYSA-N 0 1 253.773 3.666 20 10 CHCDMN COc1ccc(C[N@H+]2CCCC[C@H](C)C2)c([O-])c1Cl ZINC001236803496 1128895045 /nfs/dbraw/zinc/89/50/45/1128895045.db2.gz UZKAWRNLBATWDE-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(O)ccc1O ZINC001141161177 1120418330 /nfs/dbraw/zinc/41/83/30/1120418330.db2.gz BBPFMNOHINGUIM-NSHDSACASA-N 0 1 291.778 3.944 20 10 CHCDMN C[C@@H](c1ccccc1Cl)N(C)Cc1cc(O)ccc1O ZINC001141161177 1120418333 /nfs/dbraw/zinc/41/83/33/1120418333.db2.gz BBPFMNOHINGUIM-NSHDSACASA-N 0 1 291.778 3.944 20 10 CHCDMN Cc1ncc([C@@H](C)NCc2ccc3c(c2)CCCO3)s1 ZINC000922307959 1120504811 /nfs/dbraw/zinc/50/48/11/1120504811.db2.gz UKJZFZCXSXNHHN-LLVKDONJSA-N 0 1 288.416 3.627 20 10 CHCDMN CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756565187 1120531786 /nfs/dbraw/zinc/53/17/86/1120531786.db2.gz WIJFHZXBQPGNHH-TZMCWYRMSA-N 0 1 296.842 3.571 20 10 CHCDMN COc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1C ZINC000922586038 1120558266 /nfs/dbraw/zinc/55/82/66/1120558266.db2.gz JPFJHLZROHCOTC-GOSISDBHSA-N 0 1 282.387 3.640 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000228557408 1120969723 /nfs/dbraw/zinc/96/97/23/1120969723.db2.gz CNILKSJFFKQRKM-CHWSQXEVSA-N 0 1 287.428 3.949 20 10 CHCDMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685992 1121079372 /nfs/dbraw/zinc/07/93/72/1121079372.db2.gz IRUZMIWWTDJRSD-NSHDSACASA-N 0 1 289.325 3.617 20 10 CHCDMN CC1(C)C[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C(C)(C)O1 ZINC000709708733 1121129270 /nfs/dbraw/zinc/12/92/70/1121129270.db2.gz YGQSZGHJLOXEOP-LLVKDONJSA-N 0 1 297.826 3.729 20 10 CHCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001237077810 1128965078 /nfs/dbraw/zinc/96/50/78/1128965078.db2.gz KJVQZDMWFARTQD-AOOOYVTPSA-N 0 1 286.202 3.931 20 10 CHCDMN CC(C)C[N@@H+](Cc1ccccn1)Cc1cccc(F)c1[O-] ZINC001207630442 1121192287 /nfs/dbraw/zinc/19/22/87/1121192287.db2.gz BZLKLCZSLIKCMV-UHFFFAOYSA-N 0 1 288.366 3.585 20 10 CHCDMN CC(C)O[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000766089322 1121210018 /nfs/dbraw/zinc/21/00/18/1121210018.db2.gz QAPKBNUDGCWRSH-LSDHHAIUSA-N 0 1 297.826 3.727 20 10 CHCDMN COc1ccc(C)cc1NCc1ccc(F)c(F)c1O ZINC000703286356 1121242640 /nfs/dbraw/zinc/24/26/40/1121242640.db2.gz OXHQNCITDMDVPZ-UHFFFAOYSA-N 0 1 279.286 3.600 20 10 CHCDMN Cc1ccc(NCc2ccc(F)c(F)c2O)cc1C ZINC000703309126 1121246170 /nfs/dbraw/zinc/24/61/70/1121246170.db2.gz RVOGKKAUOLFDEM-UHFFFAOYSA-N 0 1 263.287 3.899 20 10 CHCDMN C[C@H](NCc1ccncc1Cl)c1ccc(N(C)C)cc1 ZINC000704394254 1121342306 /nfs/dbraw/zinc/34/23/06/1121342306.db2.gz KZFVFWTULMOMAD-LBPRGKRZSA-N 0 1 289.810 3.652 20 10 CHCDMN COc1ccc([C@H](C)[N@@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137838670 1121421258 /nfs/dbraw/zinc/42/12/58/1121421258.db2.gz GWTWHTPIIKMICB-LBPRGKRZSA-N 0 1 289.350 3.733 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000706681799 1121434495 /nfs/dbraw/zinc/43/44/95/1121434495.db2.gz XXZJRXPUMCPULN-OAHLLOKOSA-N 0 1 293.794 3.623 20 10 CHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000706681799 1121434500 /nfs/dbraw/zinc/43/45/00/1121434500.db2.gz XXZJRXPUMCPULN-OAHLLOKOSA-N 0 1 293.794 3.623 20 10 CHCDMN Cc1cc(Nc2cc(Cl)cc(Cl)c2[O-])cc(C)[nH+]1 ZINC001176055832 1121542078 /nfs/dbraw/zinc/54/20/78/1121542078.db2.gz LJDCJLNMGSLOTN-UHFFFAOYSA-N 0 1 283.158 3.876 20 10 CHCDMN CCN(C)c1ccc(CN2CCC[C@H]2c2cc(C)no2)cc1 ZINC000773731735 1121773684 /nfs/dbraw/zinc/77/36/84/1121773684.db2.gz WRBFAVQINFZNOR-KRWDZBQOSA-N 0 1 299.418 3.776 20 10 CHCDMN CN(Cc1cc(-c2ccccc2)no1)Cc1ccccc1O ZINC000731842812 1121887947 /nfs/dbraw/zinc/88/79/47/1121887947.db2.gz GWTKNXPVHCRWSY-UHFFFAOYSA-N 0 1 294.354 3.679 20 10 CHCDMN Cc1cc(CN(Cc2ccccc2O)C2CCCC2)no1 ZINC000732204634 1121911854 /nfs/dbraw/zinc/91/18/54/1121911854.db2.gz PRDMGKHVENDBJV-UHFFFAOYSA-N 0 1 286.375 3.633 20 10 CHCDMN COCC[N@H+](Cc1c([O-])cc(C)cc1Cl)C1CCCC1 ZINC001179859936 1121920511 /nfs/dbraw/zinc/92/05/11/1121920511.db2.gz WXIJWSMAGVVUMX-UHFFFAOYSA-N 0 1 297.826 3.745 20 10 CHCDMN COCC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C1CCCC1 ZINC001179859936 1121920516 /nfs/dbraw/zinc/92/05/16/1121920516.db2.gz WXIJWSMAGVVUMX-UHFFFAOYSA-N 0 1 297.826 3.745 20 10 CHCDMN Cc1cc(O)c(C[N@H+]2CCSC(C)(C)C2)c(Cl)c1 ZINC001180199828 1121966678 /nfs/dbraw/zinc/96/66/78/1121966678.db2.gz ZDHMXDVNWUAZLZ-UHFFFAOYSA-N 0 1 285.840 3.681 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCSC(C)(C)C2)c(Cl)c1 ZINC001180199828 1121966679 /nfs/dbraw/zinc/96/66/79/1121966679.db2.gz ZDHMXDVNWUAZLZ-UHFFFAOYSA-N 0 1 285.840 3.681 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCSC(C)(C)C2)c(Cl)c1 ZINC001180199828 1121966684 /nfs/dbraw/zinc/96/66/84/1121966684.db2.gz ZDHMXDVNWUAZLZ-UHFFFAOYSA-N 0 1 285.840 3.681 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])CC1CC1 ZINC001180291366 1121977391 /nfs/dbraw/zinc/97/73/91/1121977391.db2.gz AFUOLOKLNWXWTQ-UHFFFAOYSA-N 0 1 253.773 3.586 20 10 CHCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])CC1CC1 ZINC001180291366 1121977399 /nfs/dbraw/zinc/97/73/99/1121977399.db2.gz AFUOLOKLNWXWTQ-UHFFFAOYSA-N 0 1 253.773 3.586 20 10 CHCDMN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181102185 1122032454 /nfs/dbraw/zinc/03/24/54/1122032454.db2.gz JNAVLPFLUDFZJQ-ZWNOBZJWSA-N 0 1 253.773 3.666 20 10 CHCDMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181102185 1122032459 /nfs/dbraw/zinc/03/24/59/1122032459.db2.gz JNAVLPFLUDFZJQ-ZWNOBZJWSA-N 0 1 253.773 3.666 20 10 CHCDMN CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000273482409 1122234781 /nfs/dbraw/zinc/23/47/81/1122234781.db2.gz MGVVBLHMWWBDQO-NORZTCDRSA-N 0 1 297.826 3.900 20 10 CHCDMN CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000273482410 1122235196 /nfs/dbraw/zinc/23/51/96/1122235196.db2.gz MGVVBLHMWWBDQO-RBOXIYTFSA-N 0 1 297.826 3.900 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000273586203 1122239949 /nfs/dbraw/zinc/23/99/49/1122239949.db2.gz NWPCCDFMIOXBIT-ONGXEEELSA-N 0 1 271.813 3.592 20 10 CHCDMN CCc1cnc(CN[C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000273621760 1122241296 /nfs/dbraw/zinc/24/12/96/1122241296.db2.gz ZGSGPCMTTHCXDQ-GFCCVEGCSA-N 0 1 290.432 3.879 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)cc1Cl ZINC001183822050 1122242457 /nfs/dbraw/zinc/24/24/57/1122242457.db2.gz AUGTUBVTEVLQDS-OJDJGZDQSA-N 0 1 279.811 3.736 20 10 CHCDMN C[C@]1(F)CCCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203650876 1122415342 /nfs/dbraw/zinc/41/53/42/1122415342.db2.gz FMJDSDNEUMFEPV-AWEZNQCLSA-N 0 1 271.763 3.760 20 10 CHCDMN C[C@]1(F)CCCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203650876 1122415345 /nfs/dbraw/zinc/41/53/45/1122415345.db2.gz FMJDSDNEUMFEPV-AWEZNQCLSA-N 0 1 271.763 3.760 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775490652 1122620367 /nfs/dbraw/zinc/62/03/67/1122620367.db2.gz CVUJNVFPFIBKDF-SMDDNHRTSA-N 0 1 283.799 3.513 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775501740 1122628482 /nfs/dbraw/zinc/62/84/82/1122628482.db2.gz KTDWBYZGDNWZGU-IAQYHMDHSA-N 0 1 296.842 3.569 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000775508582 1122630186 /nfs/dbraw/zinc/63/01/86/1122630186.db2.gz CVEDUGRDNDCINM-YGRLFVJLSA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775510284 1122631415 /nfs/dbraw/zinc/63/14/15/1122631415.db2.gz ZQZQDEKWBMMKBS-KGLIPLIRSA-N 0 1 285.815 3.757 20 10 CHCDMN CC[C@@H]([NH2+]C1CC(C)C1)c1cc(Cl)ccc1[O-] ZINC000775525138 1122641713 /nfs/dbraw/zinc/64/17/13/1122641713.db2.gz DJPAGDFCIJSIIE-QEIKUCIBSA-N 0 1 253.773 3.885 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000775634797 1122839544 /nfs/dbraw/zinc/83/95/44/1122839544.db2.gz YNVPYKDJQWNCKQ-HNNXBMFYSA-N 0 1 273.763 3.993 20 10 CHCDMN CCC[C@H](C)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000775642081 1122850339 /nfs/dbraw/zinc/85/03/39/1122850339.db2.gz AIWCGKFZDZKXTQ-DOTOQJQBSA-N 0 1 291.435 3.809 20 10 CHCDMN CCN(Cc1cc(Cl)cc(F)c1O)CC(F)(F)F ZINC000775655294 1122866839 /nfs/dbraw/zinc/86/68/39/1122866839.db2.gz XGZQSHXDUNHIEH-UHFFFAOYSA-N 0 1 285.668 3.569 20 10 CHCDMN Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])on1 ZINC000775655136 1122866953 /nfs/dbraw/zinc/86/69/53/1122866953.db2.gz AJQCCCCFIVPETC-CYBMUJFWSA-N 0 1 292.766 3.679 20 10 CHCDMN C[C@H](C1CC1)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775653245 1122868395 /nfs/dbraw/zinc/86/83/95/1122868395.db2.gz BAJHAPJSPPNCIC-SECBINFHSA-N 0 1 283.774 3.948 20 10 CHCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1(C)C ZINC000775716629 1122921237 /nfs/dbraw/zinc/92/12/37/1122921237.db2.gz YPVJXDSHOKZLFD-KGLIPLIRSA-N 0 1 297.826 3.681 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1c(F)cccc1F ZINC000776023487 1123040568 /nfs/dbraw/zinc/04/05/68/1123040568.db2.gz NFSHCQPJEUNCBQ-UHFFFAOYSA-N 0 1 297.732 3.656 20 10 CHCDMN COc1cccc(Cl)c1CNCc1cccc(C)c1O ZINC000188280688 1123056195 /nfs/dbraw/zinc/05/61/95/1123056195.db2.gz NESUMDGNYAQKCI-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCCc2ccco2)c(Cl)c1 ZINC000850407608 1123263767 /nfs/dbraw/zinc/26/37/67/1123263767.db2.gz KYZOMCAQYRTBTL-UHFFFAOYSA-N 0 1 279.767 3.669 20 10 CHCDMN CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000850492250 1123274593 /nfs/dbraw/zinc/27/45/93/1123274593.db2.gz CFCMKAQSEYPUDQ-BXUZGUMPSA-N 0 1 297.826 3.901 20 10 CHCDMN Cc1ccc([C@@H](C)N[C@H](C)c2cscn2)c(O)c1C ZINC000850511502 1123277760 /nfs/dbraw/zinc/27/77/60/1123277760.db2.gz GTUZBSLCDNCBRM-VXGBXAGGSA-N 0 1 276.405 3.877 20 10 CHCDMN CCO[C@H]1C[C@H]([NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])C1 ZINC000850515530 1123278775 /nfs/dbraw/zinc/27/87/75/1123278775.db2.gz YBLKXNMEQURLDY-OBJOEFQTSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000850523337 1123280144 /nfs/dbraw/zinc/28/01/44/1123280144.db2.gz GRWJSSJMLZZKPN-GXTWGEPZSA-N 0 1 295.810 3.798 20 10 CHCDMN C[C@@H]([NH2+]CC1SCCS1)c1ccc(Cl)cc1[O-] ZINC000850562533 1123292829 /nfs/dbraw/zinc/29/28/29/1123292829.db2.gz WMMZTGACYZBXLT-MRVPVSSYSA-N 0 1 289.853 3.502 20 10 CHCDMN CC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000112465874 1123491638 /nfs/dbraw/zinc/49/16/38/1123491638.db2.gz KVAQZXRDXZYTRO-CQSZACIVSA-N 0 1 255.361 3.920 20 10 CHCDMN CC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000112465874 1123491641 /nfs/dbraw/zinc/49/16/41/1123491641.db2.gz KVAQZXRDXZYTRO-CQSZACIVSA-N 0 1 255.361 3.920 20 10 CHCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCCOC1 ZINC000895664130 1123503386 /nfs/dbraw/zinc/50/33/86/1123503386.db2.gz PWMSNOHNLNHQNW-DOMZBBRYSA-N 0 1 297.826 3.649 20 10 CHCDMN CN(Cc1sccc1Cl)Cc1ccccc1O ZINC000194345426 1129133478 /nfs/dbraw/zinc/13/34/78/1129133478.db2.gz ACBZFHAJXLGNSB-UHFFFAOYSA-N 0 1 267.781 3.739 20 10 CHCDMN Cc1ccccc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858088233 1123630125 /nfs/dbraw/zinc/63/01/25/1123630125.db2.gz VUPSHZZFNDGDJY-UHFFFAOYSA-N 0 1 290.357 3.629 20 10 CHCDMN Cc1ccc(CNCc2cc(F)c(N(C)C)cc2F)s1 ZINC000858098447 1123631085 /nfs/dbraw/zinc/63/10/85/1123631085.db2.gz MFYDKMXKYOZCKP-UHFFFAOYSA-N 0 1 296.386 3.691 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccns1 ZINC000858577896 1123665097 /nfs/dbraw/zinc/66/50/97/1123665097.db2.gz SEIHRKBYSSUFOR-IUCAKERBSA-N 0 1 282.796 3.914 20 10 CHCDMN CCC[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])OCC ZINC000862435415 1123808994 /nfs/dbraw/zinc/80/89/94/1123808994.db2.gz YMTMFXISJORVFI-MRXNPFEDSA-N 0 1 287.403 3.840 20 10 CHCDMN Cc1ccc(O)c(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000862478635 1123812520 /nfs/dbraw/zinc/81/25/20/1123812520.db2.gz KMIMNIGUFYEQKB-UHFFFAOYSA-N 0 1 291.778 3.658 20 10 CHCDMN Cn1ccc2cccc(NCc3ccc(F)c(F)c3O)c21 ZINC000864032976 1123912008 /nfs/dbraw/zinc/91/20/08/1123912008.db2.gz MFQUTMJTKYCFTM-UHFFFAOYSA-N 0 1 288.297 3.774 20 10 CHCDMN C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(Br)cc1[O-] ZINC000794829997 1123962138 /nfs/dbraw/zinc/96/21/38/1123962138.db2.gz XEYJUBQPKKBKLX-SNVBAGLBSA-N 0 1 298.224 3.996 20 10 CHCDMN CCN(C)c1ccc([C@H](C)NCc2cccnc2F)cc1 ZINC000794837846 1123981083 /nfs/dbraw/zinc/98/10/83/1123981083.db2.gz VWDCIBHLFUVFSD-ZDUSSCGKSA-N 0 1 287.382 3.528 20 10 CHCDMN C[C@H](N[C@@H](CF)c1ccc(F)cc1)c1ccccc1O ZINC000866597212 1124086076 /nfs/dbraw/zinc/08/60/76/1124086076.db2.gz ZDVBBEOXCJWVFN-NHYWBVRUSA-N 0 1 277.314 3.893 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000866613876 1124088366 /nfs/dbraw/zinc/08/83/66/1124088366.db2.gz JRXYJMDZQTZVEH-MFKMUULPSA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000866613875 1124088893 /nfs/dbraw/zinc/08/88/93/1124088893.db2.gz JRXYJMDZQTZVEH-GXFFZTMASA-N 0 1 293.798 3.581 20 10 CHCDMN C/C(Cl)=C\CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000528419750 1124658450 /nfs/dbraw/zinc/65/84/50/1124658450.db2.gz PGNBAEAHRIIZQO-NRUITVPNSA-N 0 1 295.810 3.516 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(Cl)cc1[O-] ZINC000872108973 1124685304 /nfs/dbraw/zinc/68/53/04/1124685304.db2.gz ZORNIJYGFAYDPJ-XALPAYFRSA-N 0 1 295.810 3.654 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cc(Cl)ccc1[O-] ZINC000872110043 1124686397 /nfs/dbraw/zinc/68/63/97/1124686397.db2.gz VJWXYKSLFAAPAA-XALPAYFRSA-N 0 1 295.810 3.654 20 10 CHCDMN CC[C@H](N[C@@H](C)c1nccnc1C)c1ccc(N(C)C)cc1 ZINC000872135041 1124693401 /nfs/dbraw/zinc/69/34/01/1124693401.db2.gz UUKZYYPWJJBMEO-YOEHRIQHSA-N 0 1 298.434 3.653 20 10 CHCDMN CC[C@@H](N[C@@H](C)c1nccnc1C)c1ccc(N(C)C)cc1 ZINC000872135039 1124694056 /nfs/dbraw/zinc/69/40/56/1124694056.db2.gz UUKZYYPWJJBMEO-WMLDXEAASA-N 0 1 298.434 3.653 20 10 CHCDMN CCCN(Cc1nc2ccccc2[nH]1)Cc1ccccc1O ZINC000124041784 1124704742 /nfs/dbraw/zinc/70/47/42/1124704742.db2.gz XFPNHRWWYMVDFC-UHFFFAOYSA-N 0 1 295.386 3.681 20 10 CHCDMN CSC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCC1 ZINC000825726059 1124831889 /nfs/dbraw/zinc/83/18/89/1124831889.db2.gz DPRMRANNBFNUPY-UHFFFAOYSA-N 0 1 285.840 3.729 20 10 CHCDMN Cc1ccoc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825975144 1125035793 /nfs/dbraw/zinc/03/57/93/1125035793.db2.gz KKRPZIMPXUNVCR-UHFFFAOYSA-N 0 1 265.740 3.545 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCC2(F)F)cc1Cl ZINC000826061869 1125167800 /nfs/dbraw/zinc/16/78/00/1125167800.db2.gz FAQJAVXXQNCMMZ-NSHDSACASA-N 0 1 289.753 3.879 20 10 CHCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])CC1(C)C ZINC000826062421 1125168709 /nfs/dbraw/zinc/16/87/09/1125168709.db2.gz RIIXKFIENOMBCO-OAHLLOKOSA-N 0 1 297.826 3.601 20 10 CHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CC1(C)C ZINC000826062421 1125168713 /nfs/dbraw/zinc/16/87/13/1125168713.db2.gz RIIXKFIENOMBCO-OAHLLOKOSA-N 0 1 297.826 3.601 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cc(Cl)ccc1[O-] ZINC000883319425 1125395625 /nfs/dbraw/zinc/39/56/25/1125395625.db2.gz BIDNMOBSGIHWET-SCDSUCTJSA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCCOC1 ZINC000883353587 1125400162 /nfs/dbraw/zinc/40/01/62/1125400162.db2.gz XXEWIPKXASMTEJ-XUJVJEKNSA-N 0 1 297.826 3.901 20 10 CHCDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807881 1129194581 /nfs/dbraw/zinc/19/45/81/1129194581.db2.gz NKUQCIBAWREJBF-UHFFFAOYSA-N 0 1 295.741 3.522 20 10 CHCDMN C[C@@H]1CC(CC[NH2+]Cc2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000801732430 1129217781 /nfs/dbraw/zinc/21/77/81/1129217781.db2.gz KLXQAPISWBBURV-VXGBXAGGSA-N 0 1 297.826 3.729 20 10 CHCDMN Cc1cccc(CN2C[C@@H](C)OC[C@H]2c2ccccc2)c1O ZINC000245859431 1129229854 /nfs/dbraw/zinc/22/98/54/1129229854.db2.gz OKPFWYRNUGWYSC-QAPCUYQASA-N 0 1 297.398 3.663 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[NH+](CC1CC1)CC1CC1 ZINC000734477499 1129310617 /nfs/dbraw/zinc/31/06/17/1129310617.db2.gz FNUHUNHILICUFL-UHFFFAOYSA-N 0 1 282.387 3.562 20 10 CHCDMN Cc1cc(C)cc(CC[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000740900674 1129423577 /nfs/dbraw/zinc/42/35/77/1129423577.db2.gz UXGRBTOKBXKRQH-UHFFFAOYSA-N 0 1 289.806 3.995 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000768359959 1129853610 /nfs/dbraw/zinc/85/36/10/1129853610.db2.gz HYHXUFWNCWETFR-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000768359959 1129853614 /nfs/dbraw/zinc/85/36/14/1129853614.db2.gz HYHXUFWNCWETFR-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN CCOc1ccc(C[N@H+](C(C)C)C2CCC2)c([O-])c1 ZINC000769469630 1129912321 /nfs/dbraw/zinc/91/23/21/1129912321.db2.gz BRZJSPHZCGWCDM-UHFFFAOYSA-N 0 1 263.381 3.554 20 10 CHCDMN CCOc1ccc(C[N@@H+](C(C)C)C2CCC2)c([O-])c1 ZINC000769469630 1129912322 /nfs/dbraw/zinc/91/23/22/1129912322.db2.gz BRZJSPHZCGWCDM-UHFFFAOYSA-N 0 1 263.381 3.554 20 10 CHCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)CC12CCC2 ZINC000770670513 1129954139 /nfs/dbraw/zinc/95/41/39/1129954139.db2.gz LGMOXJDIOBBLGI-AWEZNQCLSA-N 0 1 296.414 3.953 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)CC12CCC2 ZINC000770670513 1129954141 /nfs/dbraw/zinc/95/41/41/1129954141.db2.gz LGMOXJDIOBBLGI-AWEZNQCLSA-N 0 1 296.414 3.953 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000786576312 1130108883 /nfs/dbraw/zinc/10/88/83/1130108883.db2.gz SPHMAHKYWDHOEG-OUJBWJOFSA-N 0 1 271.788 3.510 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(F)c(F)c1 ZINC000786818680 1130119235 /nfs/dbraw/zinc/11/92/35/1130119235.db2.gz LNZRCIYBXXLMOS-UHFFFAOYSA-N 0 1 297.732 3.656 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1cc(Cl)ccc1[O-] ZINC000903382835 1130168500 /nfs/dbraw/zinc/16/85/00/1130168500.db2.gz JNOJYQNMXKXHNQ-NHYWBVRUSA-N 0 1 295.810 3.798 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1ccc(Cl)cc1[O-] ZINC000903388972 1130169780 /nfs/dbraw/zinc/16/97/80/1130169780.db2.gz NMQWBIRRIRANPE-NHYWBVRUSA-N 0 1 295.810 3.798 20 10 CHCDMN CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000826868363 1130298993 /nfs/dbraw/zinc/29/89/93/1130298993.db2.gz RRZCWFPAYXRCGU-INIZCTEOSA-N 0 1 298.430 3.508 20 10 CHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000792161896 1130433878 /nfs/dbraw/zinc/43/38/78/1130433878.db2.gz KZDYQBLDBXLYMN-ZDUSSCGKSA-N 0 1 294.757 3.850 20 10 CHCDMN C[C@@H]1C[C@H](C)N1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793220162 1130530942 /nfs/dbraw/zinc/53/09/42/1130530942.db2.gz KQWJGVZTTRYELJ-PHIMTYICSA-N 0 1 286.341 3.754 20 10 CHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000793230925 1130533019 /nfs/dbraw/zinc/53/30/19/1130533019.db2.gz IVFFFVKFNKBJFA-GZMMTYOYSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000793230925 1130533025 /nfs/dbraw/zinc/53/30/25/1130533025.db2.gz IVFFFVKFNKBJFA-GZMMTYOYSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)CC1(C)C ZINC000758998407 1130632331 /nfs/dbraw/zinc/63/23/31/1130632331.db2.gz CAGSGWQUJCEHJB-CYBMUJFWSA-N 0 1 284.403 3.808 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1(C)C ZINC000758998407 1130632333 /nfs/dbraw/zinc/63/23/33/1130632333.db2.gz CAGSGWQUJCEHJB-CYBMUJFWSA-N 0 1 284.403 3.808 20 10 CHCDMN COc1ccc(O)c(CNc2ccnc3cc(F)ccc32)c1 ZINC000811805875 1130645703 /nfs/dbraw/zinc/64/57/03/1130645703.db2.gz FATNJVRBWVOELT-UHFFFAOYSA-N 0 1 298.317 3.700 20 10 CHCDMN CN(C)c1ccc(CNc2cc3c(cn2)CCCC3)cc1 ZINC000812345808 1130685701 /nfs/dbraw/zinc/68/57/01/1130685701.db2.gz PJPONNURTLWMLQ-UHFFFAOYSA-N 0 1 281.403 3.639 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000812735272 1130710640 /nfs/dbraw/zinc/71/06/40/1130710640.db2.gz ZFVPAQLPJGDAQP-GDBMZVCRSA-N 0 1 297.826 3.901 20 10 CHCDMN CCc1cccc(CN[C@@H](CC)c2nccs2)c1O ZINC000691449343 1130712001 /nfs/dbraw/zinc/71/20/01/1130712001.db2.gz FBLSVMRBRBQMGS-ZDUSSCGKSA-N 0 1 276.405 3.652 20 10 CHCDMN CC[N@@H+](Cc1cc(F)cc(Br)c1[O-])C(C)C ZINC001235299374 1130732673 /nfs/dbraw/zinc/73/26/73/1130732673.db2.gz UMTIUDAPVSENGI-UHFFFAOYSA-N 0 1 290.176 3.524 20 10 CHCDMN C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000783311589 1130815597 /nfs/dbraw/zinc/81/55/97/1130815597.db2.gz XQPVLJZEMSYELR-SCVCMEIPSA-N 0 1 298.224 3.994 20 10 CHCDMN CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000783593502 1130842376 /nfs/dbraw/zinc/84/23/76/1130842376.db2.gz VBBDMHKRGCMZIH-JQFCIGGWSA-N 0 1 289.419 3.801 20 10 CHCDMN Nc1ccc(CN2CCC[C@H]2c2c(F)cccc2F)cc1 ZINC001236189766 1130881564 /nfs/dbraw/zinc/88/15/64/1130881564.db2.gz MXYUZAXXLGVBGS-INIZCTEOSA-N 0 1 288.341 3.884 20 10 CHCDMN Cc1cnc(CN[C@H](C)c2c(C)cc(C)cc2O)s1 ZINC000815583534 1131002600 /nfs/dbraw/zinc/00/26/00/1131002600.db2.gz IFHNJRYNQXTKHJ-GFCCVEGCSA-N 0 1 276.405 3.625 20 10 CHCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001236796494 1131008059 /nfs/dbraw/zinc/00/80/59/1131008059.db2.gz PPOWXJGFZSMRLV-VIFPVBQESA-N 0 1 292.181 3.881 20 10 CHCDMN COc1ccc(C[N@H+]2CCC23CCCCC3)c([O-])c1Cl ZINC001236801090 1131011415 /nfs/dbraw/zinc/01/14/15/1131011415.db2.gz FVFADZREAGZGBI-UHFFFAOYSA-N 0 1 295.810 3.963 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cc[nH]c(=O)c1 ZINC000815642678 1131014715 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20 10 CHCDMN CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000527923636 330296015 /nfs/dbraw/zinc/29/60/15/330296015.db2.gz DDBFKPMACOTNFV-IUODEOHRSA-N 0 1 297.826 3.903 20 10 CHCDMN CC[C@H]([NH2+]Cc1cccnc1C)c1cc(Cl)ccc1[O-] ZINC000527985697 330298672 /nfs/dbraw/zinc/29/86/72/330298672.db2.gz IESVWMQBVPQCRH-HNNXBMFYSA-N 0 1 290.794 3.990 20 10 CHCDMN CN(C)c1ccc(CN(CCC(F)(F)F)C2CC2)cc1 ZINC000265877336 522174025 /nfs/dbraw/zinc/17/40/25/522174025.db2.gz BEPIPBWEGQCPFM-UHFFFAOYSA-N 0 1 286.341 3.669 20 10 CHCDMN C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc2ccccc2c1[O-] ZINC000277018989 525287008 /nfs/dbraw/zinc/28/70/08/525287008.db2.gz CXWUDLHASLGBOO-JTQLQIEISA-N 0 1 277.314 3.994 20 10 CHCDMN COc1cccc(CN(C)[C@H](C)c2ccccc2F)c1O ZINC000129727302 525918257 /nfs/dbraw/zinc/91/82/57/525918257.db2.gz UKKXBQMQSSRHHI-GFCCVEGCSA-N 0 1 289.350 3.733 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000367721910 526345968 /nfs/dbraw/zinc/34/59/68/526345968.db2.gz ABODDPZPFPCXEE-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000367721910 526345969 /nfs/dbraw/zinc/34/59/69/526345969.db2.gz ABODDPZPFPCXEE-OAHLLOKOSA-N 0 1 288.778 3.778 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](COC)C(C)C ZINC001167522279 1118987201 /nfs/dbraw/zinc/98/72/01/1118987201.db2.gz XEZFVJMAGHEJDY-MRXNPFEDSA-N 0 1 279.424 3.523 20 10 CHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H](COC)C(C)C ZINC001167522279 1118987203 /nfs/dbraw/zinc/98/72/03/1118987203.db2.gz XEZFVJMAGHEJDY-MRXNPFEDSA-N 0 1 279.424 3.523 20 10 CHCDMN COc1ccc(O)c([C@@H](C)NCc2ccsc2Cl)c1 ZINC000312763268 1120615644 /nfs/dbraw/zinc/61/56/44/1120615644.db2.gz PBDGDDMOVKVGEX-SECBINFHSA-N 0 1 297.807 3.967 20 10 CHCDMN C[C@H]1CCCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000703198930 1121238366 /nfs/dbraw/zinc/23/83/66/1121238366.db2.gz HQNYIEWKQSMZEV-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c(Cl)c1 ZINC001179898776 1121918803 /nfs/dbraw/zinc/91/88/03/1121918803.db2.gz UIQUZOGPDXCUSL-QWRGUYRKSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)C[C@@H]2C)c(Cl)c1 ZINC001179898776 1121918807 /nfs/dbraw/zinc/91/88/07/1121918807.db2.gz UIQUZOGPDXCUSL-QWRGUYRKSA-N 0 1 253.773 3.584 20 10 CHCDMN CC(C)C[N@H+](Cc1c([O-])cccc1Br)C1CC1 ZINC001179985120 1121934961 /nfs/dbraw/zinc/93/49/61/1121934961.db2.gz XNVLDXOKBNUFEN-UHFFFAOYSA-N 0 1 298.224 3.775 20 10 CHCDMN CC(C)C[N@@H+](Cc1c([O-])cccc1Br)C1CC1 ZINC001179985120 1121934970 /nfs/dbraw/zinc/93/49/70/1121934970.db2.gz XNVLDXOKBNUFEN-UHFFFAOYSA-N 0 1 298.224 3.775 20 10 CHCDMN CC[C@H]([NH2+]Cc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000775490235 1122619509 /nfs/dbraw/zinc/61/95/09/1122619509.db2.gz ALVNLJYJRUGJQF-ZDUSSCGKSA-N 0 1 265.740 3.880 20 10 CHCDMN CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503607 1122631529 /nfs/dbraw/zinc/63/15/29/1122631529.db2.gz KSEDVZKPZXCNHT-HZUKXOBISA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@@H]([NH2+]CC(C)(C)CCCO)c1cc(Cl)ccc1[O-] ZINC000775518680 1122637273 /nfs/dbraw/zinc/63/72/73/1122637273.db2.gz FYBPXSLTEVHDDL-CQSZACIVSA-N 0 1 299.842 3.885 20 10 CHCDMN CC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132247663 1125416738 /nfs/dbraw/zinc/41/67/38/1125416738.db2.gz DLBOAIRGEZSWHV-NSHDSACASA-N 0 1 298.224 3.777 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215278 1131502329 /nfs/dbraw/zinc/50/23/29/1131502329.db2.gz KSPJWEKQMVIGLW-OAHLLOKOSA-N 0 1 297.851 3.765 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])CCC1(F)F ZINC001139685837 1131628837 /nfs/dbraw/zinc/62/88/37/1131628837.db2.gz YMHQZZJMSVPGAK-SECBINFHSA-N 0 1 291.288 3.538 20 10 CHCDMN COC1([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841755858 1132391945 /nfs/dbraw/zinc/39/19/45/1132391945.db2.gz MXMJHJIXPOTCIG-GHMZBOCLSA-N 0 1 283.799 3.654 20 10 CHCDMN CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752884 1132392992 /nfs/dbraw/zinc/39/29/92/1132392992.db2.gz QZDPWMUPBIIPQV-DGFSRKRXSA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CCC1(F)F ZINC001231909485 1132400413 /nfs/dbraw/zinc/40/04/13/1132400413.db2.gz FQFVWSOMIYHIQB-SNVBAGLBSA-N 0 1 289.753 3.913 20 10 CHCDMN C[N@H+](Cc1cc(F)c(F)cc1[O-])CC1CCCCC1 ZINC001142526986 1132403326 /nfs/dbraw/zinc/40/33/26/1132403326.db2.gz FHVNAXBQBVUMDB-UHFFFAOYSA-N 0 1 269.335 3.683 20 10 CHCDMN Oc1ccccc1CNCc1nc(-c2ccccc2)cs1 ZINC000134226992 1125543713 /nfs/dbraw/zinc/54/37/13/1125543713.db2.gz CNGBXRINQNYJOU-UHFFFAOYSA-N 0 1 296.395 3.806 20 10 CHCDMN CC[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134906457 1125569142 /nfs/dbraw/zinc/56/91/42/1125569142.db2.gz FWDCCVOSVGASAR-IUCAKERBSA-N 0 1 272.186 3.604 20 10 CHCDMN CN(C)c1ccc(CNCc2cccc(Cl)c2F)cc1 ZINC000135236693 1125581467 /nfs/dbraw/zinc/58/14/67/1125581467.db2.gz JISCOXUMNOBMKD-UHFFFAOYSA-N 0 1 292.785 3.835 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000729685670 1125588273 /nfs/dbraw/zinc/58/82/73/1125588273.db2.gz JBOMJFQSHLNLIX-UHFFFAOYSA-N 0 1 291.753 3.964 20 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NGJFYMDAVCHHCR-UHFFFAOYSA-N 0 1 265.784 3.810 20 10 CHCDMN COCCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000185752532 1126902320 /nfs/dbraw/zinc/90/23/20/1126902320.db2.gz KNVFKTINORDPBV-LBPRGKRZSA-N 0 1 297.826 3.903 20 10 CHCDMN Fc1ccc(CNCc2ccc3c(c2)CCO3)c(Cl)c1 ZINC001649009568 1127076540 /nfs/dbraw/zinc/07/65/40/1127076540.db2.gz DLAMESDEUDDUDL-UHFFFAOYSA-N 0 1 291.753 3.704 20 10 CHCDMN C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2O)CC1(F)F ZINC001237807479 1131141910 /nfs/dbraw/zinc/14/19/10/1131141910.db2.gz KCSTXXRUYGPEOB-MRVPVSSYSA-N 0 1 293.716 3.662 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000158227560 1127467522 /nfs/dbraw/zinc/46/75/22/1127467522.db2.gz SOOSBFKSEJGCJB-JOQOYGCGSA-N 0 1 299.414 3.747 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1cccc(Br)c1[O-] ZINC000761225862 1127550024 /nfs/dbraw/zinc/55/00/24/1127550024.db2.gz JAYAFYGKXCKAOX-UHFFFAOYSA-N 0 1 298.224 3.777 20 10 CHCDMN COc1cc(Cl)cc(C[N@H+](C)C2CCCCC2)c1[O-] ZINC000228561100 1127567788 /nfs/dbraw/zinc/56/77/88/1127567788.db2.gz RPHXDSSDIQDBED-UHFFFAOYSA-N 0 1 283.799 3.819 20 10 CHCDMN COc1cc(Cl)cc(C[N@@H+](C)C2CCCCC2)c1[O-] ZINC000228561100 1127567790 /nfs/dbraw/zinc/56/77/90/1127567790.db2.gz RPHXDSSDIQDBED-UHFFFAOYSA-N 0 1 283.799 3.819 20 10 CHCDMN C[C@@H]1CCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000230667123 1127771138 /nfs/dbraw/zinc/77/11/38/1127771138.db2.gz NSKAFBHDCSXJPW-GHMZBOCLSA-N 0 1 253.773 3.571 20 10 CHCDMN CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000230660052 1127771594 /nfs/dbraw/zinc/77/15/94/1127771594.db2.gz SYCVKNABKBPLRG-UKRRQHHQSA-N 0 1 287.403 3.603 20 10 CHCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])CC(C)(C)C ZINC000312088198 1127979880 /nfs/dbraw/zinc/97/98/80/1127979880.db2.gz XSYNGXOHNUBYMK-UHFFFAOYSA-N 0 1 285.815 3.922 20 10 CHCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])CC(C)(C)C ZINC000312088198 1127979882 /nfs/dbraw/zinc/97/98/82/1127979882.db2.gz XSYNGXOHNUBYMK-UHFFFAOYSA-N 0 1 285.815 3.922 20 10 CHCDMN CCC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134898849 1128048990 /nfs/dbraw/zinc/04/89/90/1128048990.db2.gz ZGKCCWIXTGCDAM-UWVGGRQHSA-N 0 1 286.213 3.994 20 10 CHCDMN Cc1cc(O)c(CN2CCO[C@H](c3ccccc3)C2)cc1C ZINC000029891478 1128068503 /nfs/dbraw/zinc/06/85/03/1128068503.db2.gz IXLFSJSPFUSKLC-IBGZPJMESA-N 0 1 297.398 3.583 20 10 CHCDMN Cc1nc2ccc(CSc3nccs3)cc2[nH]1 ZINC000763181528 1128368582 /nfs/dbraw/zinc/36/85/82/1128368582.db2.gz ZBADZJQGQRHRHU-UHFFFAOYSA-N 0 1 261.375 3.620 20 10 CHCDMN CC[N@@H+](Cc1c(O)ccc2ccncc21)C1CCCC1 ZINC000917465068 1128500893 /nfs/dbraw/zinc/50/08/93/1128500893.db2.gz IWTHDYBUGNIEQH-UHFFFAOYSA-N 0 1 270.376 3.705 20 10 CHCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)C1CCCC1 ZINC000917465068 1128500897 /nfs/dbraw/zinc/50/08/97/1128500897.db2.gz IWTHDYBUGNIEQH-UHFFFAOYSA-N 0 1 270.376 3.705 20 10 CHCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)C1CCCC1 ZINC000917465068 1128500900 /nfs/dbraw/zinc/50/09/00/1128500900.db2.gz IWTHDYBUGNIEQH-UHFFFAOYSA-N 0 1 270.376 3.705 20 10 CHCDMN Oc1ccccc1CN(Cc1ccccc1F)C1CC1 ZINC000179554012 1128748019 /nfs/dbraw/zinc/74/80/19/1128748019.db2.gz YDZWWCLWAUAWGP-UHFFFAOYSA-N 0 1 271.335 3.696 20 10 CHCDMN C[C@H]1CCCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552196 1118168239 /nfs/dbraw/zinc/16/82/39/1118168239.db2.gz XDXZQYVVDZSAKX-NWDGAFQWSA-N 0 1 267.800 3.962 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])o1 ZINC000160856649 1118562987 /nfs/dbraw/zinc/56/29/87/1118562987.db2.gz QIFUZSTVSWLTIJ-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)o1 ZINC000160856649 1118562984 /nfs/dbraw/zinc/56/29/84/1118562984.db2.gz QIFUZSTVSWLTIJ-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN Cc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])o1 ZINC000160856649 1118562985 /nfs/dbraw/zinc/56/29/85/1118562985.db2.gz QIFUZSTVSWLTIJ-UHFFFAOYSA-N 0 1 265.740 3.579 20 10 CHCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])CC1(O)CCCCCC1 ZINC000779203938 1128786819 /nfs/dbraw/zinc/78/68/19/1128786819.db2.gz LZTYSJVEXHUDMU-UHFFFAOYSA-N 0 1 297.826 3.563 20 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KMHQNKGSVKEXDU-UHFFFAOYSA-N 0 1 291.778 3.686 20 10 CHCDMN Oc1ccc(F)cc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708767200 1119807288 /nfs/dbraw/zinc/80/72/88/1119807288.db2.gz SGTSXNAEVPBVGR-CQSZACIVSA-N 0 1 277.383 3.934 20 10 CHCDMN C[C@@H]([NH2+]CCOCC1CCC1)c1cc(Cl)ccc1[O-] ZINC000765811664 1120050084 /nfs/dbraw/zinc/05/00/84/1120050084.db2.gz VELMUHBZHXFBDH-LLVKDONJSA-N 0 1 283.799 3.513 20 10 CHCDMN C[C@H]([NH2+]CC1(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000756396249 1120307152 /nfs/dbraw/zinc/30/71/52/1120307152.db2.gz IVEPRQUSXIGBCB-ZDUSSCGKSA-N 0 1 285.362 3.914 20 10 CHCDMN CC(C)[N@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000078384468 1128924428 /nfs/dbraw/zinc/92/44/28/1128924428.db2.gz XSOMLTOJSKOHTD-UHFFFAOYSA-N 0 1 255.361 3.918 20 10 CHCDMN CC(C)[N@@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000078384468 1128924430 /nfs/dbraw/zinc/92/44/30/1128924430.db2.gz XSOMLTOJSKOHTD-UHFFFAOYSA-N 0 1 255.361 3.918 20 10 CHCDMN Fc1ccc(CNCc2ccc(N3CCCCC3)cc2)nc1 ZINC000763520857 1128960762 /nfs/dbraw/zinc/96/07/62/1128960762.db2.gz JSLBQODNHGFICC-UHFFFAOYSA-N 0 1 299.393 3.501 20 10 CHCDMN COc1cc(NCc2ccc(F)c(F)c2O)ccc1Cl ZINC000700765645 1121121643 /nfs/dbraw/zinc/12/16/43/1121121643.db2.gz QMXRNHGBZUICFS-UHFFFAOYSA-N 0 1 299.704 3.945 20 10 CHCDMN CSCC[C@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001258207628 1128967574 /nfs/dbraw/zinc/96/75/74/1128967574.db2.gz FODRQVDRCKJEEN-LBPRGKRZSA-N 0 1 275.417 3.777 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001137831860 1121179193 /nfs/dbraw/zinc/17/91/93/1121179193.db2.gz QDTABWJOSVMFMP-AWEZNQCLSA-N 0 1 271.335 3.521 20 10 CHCDMN C[C@@H]1CCCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000703198928 1121238494 /nfs/dbraw/zinc/23/84/94/1121238494.db2.gz HQNYIEWKQSMZEV-LLVKDONJSA-N 0 1 253.773 3.668 20 10 CHCDMN Oc1c(CNc2ccc3c(c2)CCC3)ccc(F)c1F ZINC000703234018 1121239827 /nfs/dbraw/zinc/23/98/27/1121239827.db2.gz NUBXCRRFTWQNFJ-UHFFFAOYSA-N 0 1 275.298 3.771 20 10 CHCDMN Cc1cc(NCc2ccc(F)c(F)c2O)ccc1F ZINC000703394629 1121253958 /nfs/dbraw/zinc/25/39/58/1121253958.db2.gz KVHCWOHKOKRGSD-UHFFFAOYSA-N 0 1 267.250 3.730 20 10 CHCDMN C[C@H]1CCC[C@H](C)[NH+]1Cc1c([O-])ccc(F)c1Cl ZINC001237121032 1128980451 /nfs/dbraw/zinc/98/04/51/1128980451.db2.gz JYJNNXKZMPLLAM-UWVGGRQHSA-N 0 1 271.763 3.948 20 10 CHCDMN C[C@H]([NH2+]C1CCC(F)(F)CC1)c1cc(F)ccc1[O-] ZINC000688499441 1129004331 /nfs/dbraw/zinc/00/43/31/1129004331.db2.gz BFKBQMVYYUPUME-VIFPVBQESA-N 0 1 273.298 3.760 20 10 CHCDMN COCC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CCCC1 ZINC001178958245 1121835519 /nfs/dbraw/zinc/83/55/19/1121835519.db2.gz KPTSLVGROVPGOH-UHFFFAOYSA-N 0 1 297.826 3.650 20 10 CHCDMN COC1(C[NH2+]Cc2c([O-])cccc2Cl)CCCCCC1 ZINC001179750475 1121908560 /nfs/dbraw/zinc/90/85/60/1121908560.db2.gz IAPVEOGWIQNESM-UHFFFAOYSA-N 0 1 297.826 3.875 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[NH2+]C/C=C/c1ccccc1 ZINC001180332190 1121981345 /nfs/dbraw/zinc/98/13/45/1121981345.db2.gz OMJIFTJYOHGSDN-QPJJXVBHSA-N 0 1 273.763 3.849 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@@H+](Cc1cccs1)C1CC1 ZINC001180558330 1121999247 /nfs/dbraw/zinc/99/92/47/1121999247.db2.gz LVBDORBBHLNYFM-UHFFFAOYSA-N 0 1 295.354 3.897 20 10 CHCDMN Oc1ccccc1CNc1ccnc2cc(F)ccc21 ZINC000774523072 1122178527 /nfs/dbraw/zinc/17/85/27/1122178527.db2.gz DRYDLNBKBALPGS-UHFFFAOYSA-N 0 1 268.291 3.692 20 10 CHCDMN COc1ccc([C@H](C)[N@@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC000272239081 1122196026 /nfs/dbraw/zinc/19/60/26/1122196026.db2.gz GENWMSYOCRPPKR-LBPRGKRZSA-N 0 1 289.350 3.733 20 10 CHCDMN C[C@H](C[N@H+](C)Cc1c([O-])cccc1Cl)c1nccs1 ZINC000273150055 1122221110 /nfs/dbraw/zinc/22/11/10/1122221110.db2.gz HKVCDFXDLKYUTO-SNVBAGLBSA-N 0 1 296.823 3.738 20 10 CHCDMN C[C@H](C[N@@H+](C)Cc1c([O-])cccc1Cl)c1nccs1 ZINC000273150055 1122221114 /nfs/dbraw/zinc/22/11/14/1122221114.db2.gz HKVCDFXDLKYUTO-SNVBAGLBSA-N 0 1 296.823 3.738 20 10 CHCDMN CCn1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000273446424 1122232966 /nfs/dbraw/zinc/23/29/66/1122232966.db2.gz FBABXOXYRCUYPD-CYBMUJFWSA-N 0 1 295.386 3.613 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCCCO1 ZINC000273505206 1122236882 /nfs/dbraw/zinc/23/68/82/1122236882.db2.gz QXAUBPBFKMCWEL-RWSFTLGLSA-N 0 1 283.799 3.654 20 10 CHCDMN Cc1cnccc1CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273528119 1122237312 /nfs/dbraw/zinc/23/73/12/1122237312.db2.gz VURWIHQLRIVJKW-GFCCVEGCSA-N 0 1 290.794 3.642 20 10 CHCDMN Cc1nc(C)c(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000273623110 1122241572 /nfs/dbraw/zinc/24/15/72/1122241572.db2.gz ZRYQWACBPMDAJA-MRVPVSSYSA-N 0 1 296.823 3.970 20 10 CHCDMN C[C@@H](NCc1cccc(F)c1F)c1ccc(N(C)C)cc1 ZINC000775362537 1122528152 /nfs/dbraw/zinc/52/81/52/1122528152.db2.gz HVZFMUOTYQQERN-GFCCVEGCSA-N 0 1 290.357 3.882 20 10 CHCDMN CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000775373665 1122532654 /nfs/dbraw/zinc/53/26/54/1122532654.db2.gz ZLGATGURBMWEGK-ZBFHGGJFSA-N 0 1 297.826 3.729 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775485391 1122616344 /nfs/dbraw/zinc/61/63/44/1122616344.db2.gz SPNNFWLIYVTGIG-RNCFNFMXSA-N 0 1 253.773 3.885 20 10 CHCDMN CC[C@H]([NH2+]CCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775483466 1122616723 /nfs/dbraw/zinc/61/67/23/1122616723.db2.gz WNXQZECDRKBSGV-HNNXBMFYSA-N 0 1 290.794 3.724 20 10 CHCDMN CC[C@H]([NH2+]CCCOCC1CC1)c1cc(Cl)ccc1[O-] ZINC000775484565 1122616894 /nfs/dbraw/zinc/61/68/94/1122616894.db2.gz DYYOLJVCCDIVDB-HNNXBMFYSA-N 0 1 297.826 3.903 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000775490812 1122619280 /nfs/dbraw/zinc/61/92/80/1122619280.db2.gz XHWIBMKHWXYHGP-OCCSQVGLSA-N 0 1 283.799 3.655 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)CN(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775498055 1122626874 /nfs/dbraw/zinc/62/68/74/1122626874.db2.gz GNGOBCVSVMHQGO-WFASDCNBSA-N 0 1 298.858 3.817 20 10 CHCDMN CC[C@H](COC)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775510205 1122631251 /nfs/dbraw/zinc/63/12/51/1122631251.db2.gz WQRWWTBPWKCNHE-YPMHNXCESA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@@H](NCc1ncccc1F)c1cc(Cl)ccc1O ZINC000775523193 1122638385 /nfs/dbraw/zinc/63/83/85/1122638385.db2.gz DWKKSNDFRPOEBA-CYBMUJFWSA-N 0 1 294.757 3.821 20 10 CHCDMN CC[C@@H]([NH2+]Cc1ncccc1F)c1cc(Cl)ccc1[O-] ZINC000775523193 1122638387 /nfs/dbraw/zinc/63/83/87/1122638387.db2.gz DWKKSNDFRPOEBA-CYBMUJFWSA-N 0 1 294.757 3.821 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775520199 1122638710 /nfs/dbraw/zinc/63/87/10/1122638710.db2.gz QPTMGIICLCGWGA-HUBLWGQQSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+]C[C@H](C)SC)c1cc(Cl)ccc1[O-] ZINC000775524664 1122641790 /nfs/dbraw/zinc/64/17/90/1122641790.db2.gz VRWNVBNHMLDKGY-JOYOIKCWSA-N 0 1 273.829 3.838 20 10 CHCDMN CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775525733 1122645641 /nfs/dbraw/zinc/64/56/41/1122645641.db2.gz MWAFNMBVTKQVQQ-JKOKRWQUSA-N 0 1 283.799 3.654 20 10 CHCDMN CC[C@H]([NH2+]CC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775552475 1122661995 /nfs/dbraw/zinc/66/19/95/1122661995.db2.gz VQSLIALKKNTYBG-FZMZJTMJSA-N 0 1 283.799 3.513 20 10 CHCDMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775652826 1122867845 /nfs/dbraw/zinc/86/78/45/1122867845.db2.gz VRMIRNDULKUMKI-CYBMUJFWSA-N 0 1 271.763 3.805 20 10 CHCDMN CCCCCN1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001201734849 1123149428 /nfs/dbraw/zinc/14/94/28/1123149428.db2.gz CEGZDZYOPPXQSC-UHFFFAOYSA-N 0 1 286.419 3.735 20 10 CHCDMN COc1cccc(CNc2nccc(C)c2C2CC2)c1O ZINC000850362891 1123257122 /nfs/dbraw/zinc/25/71/22/1123257122.db2.gz UBMUPGQDJRZNHT-UHFFFAOYSA-N 0 1 284.359 3.594 20 10 CHCDMN COc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1C ZINC000850417116 1123264392 /nfs/dbraw/zinc/26/43/92/1123264392.db2.gz WMBUHIPGKUEWOR-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000850481919 1123273406 /nfs/dbraw/zinc/27/34/06/1123273406.db2.gz OQJJSJLLFSBDFI-AAEUAGOBSA-N 0 1 296.842 3.569 20 10 CHCDMN CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000850492254 1123274405 /nfs/dbraw/zinc/27/44/05/1123274405.db2.gz CFCMKAQSEYPUDQ-RISCZKNCSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000850523340 1123280270 /nfs/dbraw/zinc/28/02/70/1123280270.db2.gz GRWJSSJMLZZKPN-TZMCWYRMSA-N 0 1 295.810 3.798 20 10 CHCDMN C[C@@H]([NH2+]CCc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000850531582 1123284957 /nfs/dbraw/zinc/28/49/57/1123284957.db2.gz MFKYBCLLLHNJNQ-SNVBAGLBSA-N 0 1 265.740 3.532 20 10 CHCDMN CC[C@H]([NH2+]CCc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000850531002 1123285124 /nfs/dbraw/zinc/28/51/24/1123285124.db2.gz GBIBCWHTNKNOAV-AWEZNQCLSA-N 0 1 279.767 3.922 20 10 CHCDMN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000721827846 1123303401 /nfs/dbraw/zinc/30/34/01/1123303401.db2.gz PXHJBEQYHHKHRU-DZGCQCFKSA-N 0 1 297.826 3.729 20 10 CHCDMN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000721827853 1123304648 /nfs/dbraw/zinc/30/46/48/1123304648.db2.gz PXHJBEQYHHKHRU-ZFWWWQNUSA-N 0 1 297.826 3.729 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000273534640 1129126738 /nfs/dbraw/zinc/12/67/38/1129126738.db2.gz XECQLVUGNYPRIW-NFAWXSAZSA-N 0 1 285.387 3.764 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCCOC1 ZINC000895664131 1123503000 /nfs/dbraw/zinc/50/30/00/1123503000.db2.gz PWMSNOHNLNHQNW-IUODEOHRSA-N 0 1 297.826 3.649 20 10 CHCDMN Oc1ccccc1C[N@@H+](C[C@H]1CCC=CO1)C1CCCC1 ZINC000193932682 1129125922 /nfs/dbraw/zinc/12/59/22/1129125922.db2.gz RQNXEOKCOAAUGX-QGZVFWFLSA-N 0 1 287.403 3.830 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H](CC)C1 ZINC000780758815 1123543829 /nfs/dbraw/zinc/54/38/29/1123543829.db2.gz WTEZANFHGIOTLU-DOTOQJQBSA-N 0 1 291.435 3.809 20 10 CHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H](CC)C1 ZINC000780758815 1123543834 /nfs/dbraw/zinc/54/38/34/1123543834.db2.gz WTEZANFHGIOTLU-DOTOQJQBSA-N 0 1 291.435 3.809 20 10 CHCDMN CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])CC(F)F ZINC000883251746 1123544625 /nfs/dbraw/zinc/54/46/25/1123544625.db2.gz AYLRDEXEJLGSMN-UHFFFAOYSA-N 0 1 277.742 3.817 20 10 CHCDMN Cc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858087354 1123629992 /nfs/dbraw/zinc/62/99/92/1123629992.db2.gz NAIRXIMDRFAJLM-UHFFFAOYSA-N 0 1 290.357 3.629 20 10 CHCDMN CS[C@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000117393903 1123728572 /nfs/dbraw/zinc/72/85/72/1123728572.db2.gz SJEOAYYTUSVBKT-MNOVXSKESA-N 0 1 285.840 3.809 20 10 CHCDMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCS1 ZINC000896951647 1123792391 /nfs/dbraw/zinc/79/23/91/1123792391.db2.gz LGPSGVHUXDWRCM-DOMZBBRYSA-N 0 1 287.428 3.919 20 10 CHCDMN CC[N@@H+](Cc1c(O)cccc1Br)C1CCC1 ZINC000862248476 1123794029 /nfs/dbraw/zinc/79/40/29/1123794029.db2.gz YXVWNTJSFIXSDP-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN CC[N@H+](Cc1c([O-])cccc1Br)C1CCC1 ZINC000862248476 1123794030 /nfs/dbraw/zinc/79/40/30/1123794030.db2.gz YXVWNTJSFIXSDP-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN CC[N@@H+](Cc1c([O-])cccc1Br)C1CCC1 ZINC000862248476 1123794031 /nfs/dbraw/zinc/79/40/31/1123794031.db2.gz YXVWNTJSFIXSDP-UHFFFAOYSA-N 0 1 284.197 3.529 20 10 CHCDMN COC1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000840793402 1123811207 /nfs/dbraw/zinc/81/12/07/1123811207.db2.gz ZOOQBBCIBGBOCJ-MLCFOIATSA-N 0 1 293.382 3.627 20 10 CHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000862466268 1123812895 /nfs/dbraw/zinc/81/28/95/1123812895.db2.gz FPLNFGOAFKMCKI-UHFFFAOYSA-N 0 1 293.716 3.806 20 10 CHCDMN Cc1cc(F)c(CNCc2cccc(C)c2O)c(F)c1 ZINC000897213666 1123846917 /nfs/dbraw/zinc/84/69/17/1123846917.db2.gz GHKZFOJDBPISIS-UHFFFAOYSA-N 0 1 277.314 3.577 20 10 CHCDMN Cc1cc(N(C)C)ccc1NCc1ccc(F)c(F)c1O ZINC000864018332 1123909828 /nfs/dbraw/zinc/90/98/28/1123909828.db2.gz DDFQGBQGJPRQMT-UHFFFAOYSA-N 0 1 292.329 3.657 20 10 CHCDMN CN(C)c1ccc(CN(C)Cc2ccsc2)cc1F ZINC000120464319 1123965846 /nfs/dbraw/zinc/96/58/46/1123965846.db2.gz VLVQTXXOMJIAAB-UHFFFAOYSA-N 0 1 278.396 3.585 20 10 CHCDMN Cc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)oc1C ZINC000282005956 1124008296 /nfs/dbraw/zinc/00/82/96/1124008296.db2.gz DGEFPBHDAQJRTA-CYBMUJFWSA-N 0 1 272.392 3.813 20 10 CHCDMN Oc1cccc2c1[C@@H](N[C@@H](CF)c1ccc(F)cc1)CC2 ZINC000866597083 1124086158 /nfs/dbraw/zinc/08/61/58/1124086158.db2.gz MRNZWNMWJSSEBG-GJZGRUSLSA-N 0 1 289.325 3.819 20 10 CHCDMN C[C@@H](N[C@H](CF)c1ccc(F)cc1)c1ccccc1O ZINC000866597211 1124086343 /nfs/dbraw/zinc/08/63/43/1124086343.db2.gz ZDVBBEOXCJWVFN-IAQYHMDHSA-N 0 1 277.314 3.893 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1ccnn1C ZINC000866615001 1124089771 /nfs/dbraw/zinc/08/97/71/1124089771.db2.gz RYWUIUFYHIWDFW-QWHCGFSZSA-N 0 1 295.386 3.691 20 10 CHCDMN CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000866635050 1124093069 /nfs/dbraw/zinc/09/30/69/1124093069.db2.gz MHYZCLYWMPPIED-KCQAQPDRSA-N 0 1 287.403 3.746 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cc(Cl)ccc1[O-] ZINC000872110040 1124685837 /nfs/dbraw/zinc/68/58/37/1124685837.db2.gz VJWXYKSLFAAPAA-GPMKHBRKSA-N 0 1 295.810 3.654 20 10 CHCDMN Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000872129721 1124690694 /nfs/dbraw/zinc/69/06/94/1124690694.db2.gz ATZPFKDZPBOQQJ-ONGXEEELSA-N 0 1 291.782 3.556 20 10 CHCDMN Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000872132358 1124691425 /nfs/dbraw/zinc/69/14/25/1124691425.db2.gz FFJWYZHNCOFLNA-KOLCDFICSA-N 0 1 291.782 3.556 20 10 CHCDMN CCCOc1ccc(CN[C@H](C)c2nccnc2C)cc1C ZINC000873186112 1124748125 /nfs/dbraw/zinc/74/81/25/1124748125.db2.gz FGYCENCQIRSFLO-OAHLLOKOSA-N 0 1 299.418 3.733 20 10 CHCDMN COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020096889 1124805547 /nfs/dbraw/zinc/80/55/47/1124805547.db2.gz BDWGMOLXWUOAMF-LLVKDONJSA-N 0 1 291.778 3.905 20 10 CHCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC(F)(F)C1 ZINC000529619401 1125020619 /nfs/dbraw/zinc/02/06/19/1125020619.db2.gz XHFXRULPWHDAKZ-QMMMGPOBSA-N 0 1 275.726 3.569 20 10 CHCDMN Oc1c(CNc2cc(C3CC3)ccn2)ccc(F)c1F ZINC000877541830 1125042375 /nfs/dbraw/zinc/04/23/75/1125042375.db2.gz SOIRUHXAMXVJQO-UHFFFAOYSA-N 0 1 276.286 3.555 20 10 CHCDMN [O-]c1c(C[NH2+]CC[C@H]2CCSC2)ccc2ccccc21 ZINC000877662187 1125058902 /nfs/dbraw/zinc/05/89/02/1125058902.db2.gz NERKUKCQCPPMNW-ZDUSSCGKSA-N 0 1 287.428 3.778 20 10 CHCDMN C[C@@H](NCc1csc(C(C)(C)C)n1)c1ccccc1O ZINC000877756296 1125071944 /nfs/dbraw/zinc/07/19/44/1125071944.db2.gz FSSMOYLYFZBEFO-LLVKDONJSA-N 0 1 290.432 3.997 20 10 CHCDMN C[C@H](NCc1ncc(C(C)(C)C)s1)c1ccccc1O ZINC000877758025 1125074491 /nfs/dbraw/zinc/07/44/91/1125074491.db2.gz DNBPNQWNKTWJRR-NSHDSACASA-N 0 1 290.432 3.997 20 10 CHCDMN Cc1cc(O)c(CN2CC(CC(F)(F)F)C2)cc1Cl ZINC000826114031 1125219520 /nfs/dbraw/zinc/21/95/20/1125219520.db2.gz SGQZZHWZDFHHMD-UHFFFAOYSA-N 0 1 293.716 3.738 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cc(Cl)ccc1[O-] ZINC000883272205 1125389986 /nfs/dbraw/zinc/38/99/86/1125389986.db2.gz GUADRYDTXROLDW-JKOKRWQUSA-N 0 1 283.799 3.511 20 10 CHCDMN Cc1ccc(CN[C@H](C)c2cc(F)ccc2O)c(Cl)n1 ZINC000883301521 1125392264 /nfs/dbraw/zinc/39/22/64/1125392264.db2.gz BLSLURNWRBLOPV-SNVBAGLBSA-N 0 1 294.757 3.739 20 10 CHCDMN COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000883319710 1125395659 /nfs/dbraw/zinc/39/56/59/1125395659.db2.gz MRDHPZFWTODTMF-KCQAQPDRSA-N 0 1 285.387 3.621 20 10 CHCDMN COc1cccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1O ZINC000132827530 1125423986 /nfs/dbraw/zinc/42/39/86/1125423986.db2.gz WRZODKRRTKYNDN-OAHLLOKOSA-N 0 1 275.392 3.555 20 10 CHCDMN Cc1cc(C)cc(CC[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000740900822 1129423659 /nfs/dbraw/zinc/42/36/59/1129423659.db2.gz ZINUIFURWQAFFD-UHFFFAOYSA-N 0 1 289.806 3.995 20 10 CHCDMN Cc1cc(O)c(CN2CCOC[C@@H]2c2ccccc2)cc1C ZINC000743407381 1129522749 /nfs/dbraw/zinc/52/27/49/1129522749.db2.gz WWCASOZYBRCWQM-GOSISDBHSA-N 0 1 297.398 3.583 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000252729093 1129591638 /nfs/dbraw/zinc/59/16/38/1129591638.db2.gz FCWFAEUQTAHYHO-GHMZBOCLSA-N 0 1 253.773 3.524 20 10 CHCDMN C[C@@H]([NH2+]CC1=CCCOC1)c1ccc2ccccc2c1[O-] ZINC000379735739 1129652910 /nfs/dbraw/zinc/65/29/10/1129652910.db2.gz JQVWPVXUBRGGER-CYBMUJFWSA-N 0 1 283.371 3.543 20 10 CHCDMN CC[C@H](NCc1ccc(N(C)C)cc1)c1c(C)noc1C ZINC000121337330 1129714423 /nfs/dbraw/zinc/71/44/23/1129714423.db2.gz MXOYYTVCZKHKTH-INIZCTEOSA-N 0 1 287.407 3.598 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1[O-] ZINC000796534511 1129776770 /nfs/dbraw/zinc/77/67/70/1129776770.db2.gz ZHHFWFCJAYKWIB-AWEZNQCLSA-N 0 1 293.382 3.744 20 10 CHCDMN CCOc1cccc(C[N@@H+](C)CCCc2ccccc2)c1O ZINC000768335960 1129850692 /nfs/dbraw/zinc/85/06/92/1129850692.db2.gz CMDADXIUBCELIB-UHFFFAOYSA-N 0 1 299.414 3.856 20 10 CHCDMN CS[C@H]1CCCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000770352668 1129945774 /nfs/dbraw/zinc/94/57/74/1129945774.db2.gz YHVQFGSBHWVAIP-NSHDSACASA-N 0 1 285.840 3.763 20 10 CHCDMN CS[C@H]1CCCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000770352668 1129945777 /nfs/dbraw/zinc/94/57/77/1129945777.db2.gz YHVQFGSBHWVAIP-NSHDSACASA-N 0 1 285.840 3.763 20 10 CHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(F)cn1 ZINC000771383027 1129977169 /nfs/dbraw/zinc/97/71/69/1129977169.db2.gz JOOACICLNLPFAU-CQSZACIVSA-N 0 1 299.393 3.672 20 10 CHCDMN CCOCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000771640676 1129987203 /nfs/dbraw/zinc/98/72/03/1129987203.db2.gz DHGWEAZTDKNVDI-UHFFFAOYSA-N 0 1 299.370 3.760 20 10 CHCDMN CCOCC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000771640676 1129987206 /nfs/dbraw/zinc/98/72/06/1129987206.db2.gz DHGWEAZTDKNVDI-UHFFFAOYSA-N 0 1 299.370 3.760 20 10 CHCDMN [O-]c1ccccc1C[N@H+](C[C@H]1CCSC1)C1CCCC1 ZINC000787164769 1130135274 /nfs/dbraw/zinc/13/52/74/1130135274.db2.gz ODEIZMHEJIONNY-CQSZACIVSA-N 0 1 291.460 3.890 20 10 CHCDMN [O-]c1ccccc1C[N@@H+](C[C@H]1CCSC1)C1CCCC1 ZINC000787164769 1130135276 /nfs/dbraw/zinc/13/52/76/1130135276.db2.gz ODEIZMHEJIONNY-CQSZACIVSA-N 0 1 291.460 3.890 20 10 CHCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cncs1 ZINC000903312137 1130152056 /nfs/dbraw/zinc/15/20/56/1130152056.db2.gz SORDFAGHZXGCKT-IUCAKERBSA-N 0 1 282.796 3.914 20 10 CHCDMN Cc1ccnc(NCc2cc(F)ccc2O)c1C1CC1 ZINC000827010960 1130338182 /nfs/dbraw/zinc/33/81/82/1130338182.db2.gz CQDIQVVCCLUCRM-UHFFFAOYSA-N 0 1 272.323 3.724 20 10 CHCDMN CC[N@@H+](CCC(F)(F)F)Cc1c([O-])ccc(Cl)c1F ZINC000792164537 1130433721 /nfs/dbraw/zinc/43/37/21/1130433721.db2.gz KIZNXICJIZHQLC-UHFFFAOYSA-N 0 1 299.695 3.959 20 10 CHCDMN CCCN(Cc1c(O)ccc(Cl)c1F)CC(F)F ZINC000792164581 1130434349 /nfs/dbraw/zinc/43/43/49/1130434349.db2.gz LSSZGEWNGAKEJJ-UHFFFAOYSA-N 0 1 281.705 3.662 20 10 CHCDMN C[C@H]1CCSCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792197404 1130437732 /nfs/dbraw/zinc/43/77/32/1130437732.db2.gz VCUDVRRVCKIPII-VIFPVBQESA-N 0 1 289.803 3.512 20 10 CHCDMN C[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000757889995 1130505316 /nfs/dbraw/zinc/50/53/16/1130505316.db2.gz NLEVQEMOZZKMRB-UHFFFAOYSA-N 0 1 297.185 3.726 20 10 CHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000793230930 1130533294 /nfs/dbraw/zinc/53/32/94/1130533294.db2.gz IVFFFVKFNKBJFA-KWQFWETISA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000793230930 1130533301 /nfs/dbraw/zinc/53/33/01/1130533301.db2.gz IVFFFVKFNKBJFA-KWQFWETISA-N 0 1 293.716 3.818 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc2ncccc2c1 ZINC000793263958 1130535760 /nfs/dbraw/zinc/53/57/60/1130535760.db2.gz MZMXFPWOCGTHMP-UHFFFAOYSA-N 0 1 298.773 3.884 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCc1ccccc1F ZINC000793346850 1130542532 /nfs/dbraw/zinc/54/25/32/1130542532.db2.gz LSIDFYJHULGFNW-UHFFFAOYSA-N 0 1 293.769 3.907 20 10 CHCDMN Oc1ccc(F)cc1C[N@@H+](CC1CC1)CC1CCC1 ZINC000793391349 1130552081 /nfs/dbraw/zinc/55/20/81/1130552081.db2.gz VUNCRFNJRHVCHU-UHFFFAOYSA-N 0 1 263.356 3.543 20 10 CHCDMN CCOc1ccc(C[N@H+](CC2CC2)CC2CCC2)c([O-])c1 ZINC000793391386 1130552102 /nfs/dbraw/zinc/55/21/02/1130552102.db2.gz XEHNDBVJHOZOEE-UHFFFAOYSA-N 0 1 289.419 3.803 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC2CC2)CC2CCC2)c([O-])c1 ZINC000793391386 1130552104 /nfs/dbraw/zinc/55/21/04/1130552104.db2.gz XEHNDBVJHOZOEE-UHFFFAOYSA-N 0 1 289.419 3.803 20 10 CHCDMN COc1ccc2ccc(O)c(C[N@H+]3C[C@H](C)CC34CC4)c2c1 ZINC001234569095 1130657168 /nfs/dbraw/zinc/65/71/68/1130657168.db2.gz JKSDPEJJTFIHHF-CYBMUJFWSA-N 0 1 297.398 3.928 20 10 CHCDMN Oc1cccc(Cl)c1CNc1cc2c(cn1)CCCC2 ZINC000812345754 1130685921 /nfs/dbraw/zinc/68/59/21/1130685921.db2.gz MREYWAVZHOWADT-UHFFFAOYSA-N 0 1 288.778 3.932 20 10 CHCDMN CCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000781898218 1130746118 /nfs/dbraw/zinc/74/61/18/1130746118.db2.gz VSHLSAPEBREDRQ-UHFFFAOYSA-N 0 1 298.224 3.838 20 10 CHCDMN CN(C)c1ccc(CN2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000814171119 1130838558 /nfs/dbraw/zinc/83/85/58/1130838558.db2.gz KWDCQZPHDCHQSG-SFHVURJKSA-N 0 1 295.430 3.731 20 10 CHCDMN CCC[N@@H+](CCC1(OC)CCC1)Cc1ccccc1O ZINC000815055395 1130952858 /nfs/dbraw/zinc/95/28/58/1130952858.db2.gz ZAKSJAQUSPBEMX-UHFFFAOYSA-N 0 1 277.408 3.563 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)CC2)c(Cl)c1 ZINC001236797184 1131008307 /nfs/dbraw/zinc/00/83/07/1131008307.db2.gz CNXIONWOYULWCT-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)CC2)c(Cl)c1 ZINC001236797184 1131008311 /nfs/dbraw/zinc/00/83/11/1131008311.db2.gz CNXIONWOYULWCT-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc(O)c(CN(C)Cc2cccs2)c(Cl)c1 ZINC001236799532 1131009091 /nfs/dbraw/zinc/00/90/91/1131009091.db2.gz OVACRIZPJMIHER-UHFFFAOYSA-N 0 1 297.807 3.748 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC23CCCCC3)c(Cl)c1 ZINC001236798315 1131009697 /nfs/dbraw/zinc/00/96/97/1131009697.db2.gz NELVPZLBPKNPRK-UHFFFAOYSA-N 0 1 295.810 3.963 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC23CCCCC3)c(Cl)c1 ZINC001236798315 1131009703 /nfs/dbraw/zinc/00/97/03/1131009703.db2.gz NELVPZLBPKNPRK-UHFFFAOYSA-N 0 1 295.810 3.963 20 10 CHCDMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c([O-])c1Cl ZINC001236804458 1131011694 /nfs/dbraw/zinc/01/16/94/1131011694.db2.gz ZMNCTJOPEGTOEP-NEPJUHHUSA-N 0 1 297.826 3.922 20 10 CHCDMN COc1cc([O-])c(C[NH+]2C3CCCC2CCC3)c(Cl)c1 ZINC001236807548 1131012981 /nfs/dbraw/zinc/01/29/81/1131012981.db2.gz HPRITKFIVPLTMK-UHFFFAOYSA-N 0 1 295.810 3.961 20 10 CHCDMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c([O-])c1Cl ZINC001236813830 1131014305 /nfs/dbraw/zinc/01/43/05/1131014305.db2.gz QDWVHDOHBWDWQS-GHMZBOCLSA-N 0 1 283.799 3.675 20 10 CHCDMN CC1(C)CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236826473 1131016124 /nfs/dbraw/zinc/01/61/24/1131016124.db2.gz KMRMEQWUVBFMKB-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN C[C@@H](NCc1c(F)cc(F)cc1F)c1ccccc1O ZINC000815649933 1131016224 /nfs/dbraw/zinc/01/62/24/1131016224.db2.gz CNXAPEKKSHKTBU-SECBINFHSA-N 0 1 281.277 3.660 20 10 CHCDMN Oc1cc2ccccc2cc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001236828079 1131017058 /nfs/dbraw/zinc/01/70/58/1131017058.db2.gz ZSQDKUSRMUIAKK-IFXJQAMLSA-N 0 1 297.398 3.546 20 10 CHCDMN CO[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236833064 1131019192 /nfs/dbraw/zinc/01/91/92/1131019192.db2.gz NRJBQADUZGNBJF-QGZVFWFLSA-N 0 1 285.387 3.546 20 10 CHCDMN CO[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236833064 1131019197 /nfs/dbraw/zinc/01/91/97/1131019197.db2.gz NRJBQADUZGNBJF-QGZVFWFLSA-N 0 1 285.387 3.546 20 10 CHCDMN C[N@H+](Cc1cc2ccccc2cc1[O-])C1CCCC1 ZINC001236842521 1131020667 /nfs/dbraw/zinc/02/06/67/1131020667.db2.gz WRUXIUWHFMCZNB-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN C[N@@H+](Cc1cc2ccccc2cc1[O-])C1CCCC1 ZINC001236842521 1131020672 /nfs/dbraw/zinc/02/06/72/1131020672.db2.gz WRUXIUWHFMCZNB-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN Cc1nccc(NCCCSc2nccs2)c1Cl ZINC000798394125 1131036409 /nfs/dbraw/zinc/03/64/09/1131036409.db2.gz CXMOZKMVXISESH-UHFFFAOYSA-N 0 1 299.852 3.516 20 10 CHCDMN CC(C)c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c1 ZINC001237046578 1131041147 /nfs/dbraw/zinc/04/11/47/1131041147.db2.gz UCWYONIQVHLOJI-WMZOPIPTSA-N 0 1 289.419 3.517 20 10 CHCDMN CCOc1ccc(C[N@H+]2CCCC3(CCC3)C2)c(O)c1 ZINC001237047496 1131041330 /nfs/dbraw/zinc/04/13/30/1131041330.db2.gz ZBTMYYYYOKQTTJ-UHFFFAOYSA-N 0 1 275.392 3.557 20 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[O-]c1c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)ccc2ccccc21 ZINC000816520840 1131104329 /nfs/dbraw/zinc/10/43/29/1131104329.db2.gz ZOADOUHUENOJBZ-SJLPKXTDSA-N 0 1 297.398 3.546 20 10 CHCDMN [O-]c1c(C[NH2+]Cc2ccccc2F)ccc2ccccc21 ZINC000816528980 1131104540 /nfs/dbraw/zinc/10/45/40/1131104540.db2.gz BJIJQPZBUBPBRX-UHFFFAOYSA-N 0 1 281.330 3.974 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@H]2CC=CCC2)ccc2ccccc21 ZINC000816544005 1131107047 /nfs/dbraw/zinc/10/70/47/1131107047.db2.gz VJZLXCHROAGPLO-AWEZNQCLSA-N 0 1 267.372 3.991 20 10 CHCDMN [O-]c1c(C[NH2+]Cc2ccccc2)ccc2ccccc21 ZINC000816529358 1131108280 /nfs/dbraw/zinc/10/82/80/1131108280.db2.gz QAPVQBOBVCMLKH-UHFFFAOYSA-N 0 1 263.340 3.835 20 10 CHCDMN CC[C@H](NCc1cc(Cl)c(F)cc1O)C(F)(F)F ZINC000816588855 1131108642 /nfs/dbraw/zinc/10/86/42/1131108642.db2.gz CTSHWHIONXFJHB-JTQLQIEISA-N 0 1 285.668 3.615 20 10 CHCDMN [O-]c1c(C[NH2+][C@H]2CC=CCC2)ccc2ccccc21 ZINC000816552645 1131109387 /nfs/dbraw/zinc/10/93/87/1131109387.db2.gz RVKXUNLNSAPZQM-HNNXBMFYSA-N 0 1 253.345 3.744 20 10 CHCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccncc1 ZINC000816554591 1131109556 /nfs/dbraw/zinc/10/95/56/1131109556.db2.gz CPRPQIFDTBTQTP-CQSZACIVSA-N 0 1 292.382 3.834 20 10 CHCDMN C[C@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCS1 ZINC000816556494 1131109914 /nfs/dbraw/zinc/10/99/14/1131109914.db2.gz KUZHNQSBYIPBOH-QGZVFWFLSA-N 0 1 287.428 3.921 20 10 CHCDMN CC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCC1 ZINC000816555865 1131110992 /nfs/dbraw/zinc/11/09/92/1131110992.db2.gz RYKAIIXPZJJQGF-UHFFFAOYSA-N 0 1 255.361 3.825 20 10 CHCDMN C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816567898 1131112236 /nfs/dbraw/zinc/11/22/36/1131112236.db2.gz OYRHTGDIEDLCFY-GJZGRUSLSA-N 0 1 299.414 3.840 20 10 CHCDMN COCC1(C)CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816565579 1131113309 /nfs/dbraw/zinc/11/33/09/1131113309.db2.gz UGYLLBPPHTTZBV-UHFFFAOYSA-N 0 1 299.414 3.794 20 10 CHCDMN CC1=CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000816609037 1131113999 /nfs/dbraw/zinc/11/39/99/1131113999.db2.gz QFNNVKDVERTGRY-ZDUSSCGKSA-N 0 1 296.208 3.743 20 10 CHCDMN CSC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816593798 1131114455 /nfs/dbraw/zinc/11/44/55/1131114455.db2.gz FFNUKRSCUYMCIK-UHFFFAOYSA-N 0 1 273.401 3.531 20 10 CHCDMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237619748 1131119184 /nfs/dbraw/zinc/11/91/84/1131119184.db2.gz DHGGESMSJXGKLH-VHSXEESVSA-N 0 1 271.763 3.805 20 10 CHCDMN CCCC[N@@H+](C)Cc1cc(Br)c(C)cc1O ZINC001237676531 1131126639 /nfs/dbraw/zinc/12/66/39/1131126639.db2.gz KIUWUXWSCOIOFX-UHFFFAOYSA-N 0 1 286.213 3.695 20 10 CHCDMN C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237805509 1131143373 /nfs/dbraw/zinc/14/33/73/1131143373.db2.gz MSLTVFZSSXTSNN-SECBINFHSA-N 0 1 257.736 3.559 20 10 CHCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001237950552 1131154953 /nfs/dbraw/zinc/15/49/53/1131154953.db2.gz WQCYDSAFBHQOFT-UHFFFAOYSA-N 0 1 295.741 3.942 20 10 CHCDMN CC[N@@H+](Cc1ccncc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237946273 1131155296 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Cc1cc([O-])c(C[N@@H+](C)CCC2CCOCC2)cc1Cl ZINC000824850627 1131486616 /nfs/dbraw/zinc/48/66/16/1131486616.db2.gz NREUDEAPOAXREA-UHFFFAOYSA-N 0 1 297.826 3.603 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2cccnc2)cc1Cl ZINC000825072318 1131497965 /nfs/dbraw/zinc/49/79/65/1131497965.db2.gz YNVIQUJRXRQJEC-LLVKDONJSA-N 0 1 276.767 3.600 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215278 1131502328 /nfs/dbraw/zinc/50/23/28/1131502328.db2.gz KSPJWEKQMVIGLW-OAHLLOKOSA-N 0 1 297.851 3.765 20 10 CHCDMN Cc1csc([C@H](C)NCc2cc(Cl)c(C)cc2O)n1 ZINC000825197325 1131503337 /nfs/dbraw/zinc/50/33/37/1131503337.db2.gz KNCADRUDBYQMKI-JTQLQIEISA-N 0 1 296.823 3.970 20 10 CHCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CCOCC1 ZINC000825332067 1131507153 /nfs/dbraw/zinc/50/71/53/1131507153.db2.gz VZLZFIXJKIKNJZ-OAHLLOKOSA-N 0 1 297.826 3.649 20 10 CHCDMN Cc1cnc([C@H](C)NCc2cc(Cl)c(C)cc2O)s1 ZINC000825330859 1131507585 /nfs/dbraw/zinc/50/75/85/1131507585.db2.gz FGIVQEMESPLKNY-JTQLQIEISA-N 0 1 296.823 3.970 20 10 CHCDMN CC[N@@H+](Cc1ccc2cccnc2c1)Cc1ccccc1O ZINC001139171271 1131591468 /nfs/dbraw/zinc/59/14/68/1131591468.db2.gz PVTINBRXUBREKU-UHFFFAOYSA-N 0 1 292.382 3.963 20 10 CHCDMN Cc1cc(C[N@@H+](Cc2ccco2)C2CC2)ccc1N(C)C ZINC001139674137 1131627982 /nfs/dbraw/zinc/62/79/82/1131627982.db2.gz QJQUZPDBOHHKOM-UHFFFAOYSA-N 0 1 284.403 3.819 20 10 CHCDMN Cc1cc(CN(Cc2ccco2)C2CC2)ccc1N(C)C ZINC001139674137 1131627985 /nfs/dbraw/zinc/62/79/85/1131627985.db2.gz QJQUZPDBOHHKOM-UHFFFAOYSA-N 0 1 284.403 3.819 20 10 CHCDMN C[N@@H+](Cc1cccc(Cl)c1)Cc1c([O-])c(F)ccc1F ZINC001139685450 1131629063 /nfs/dbraw/zinc/62/90/63/1131629063.db2.gz YRSJVMSOMISXHN-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN C[N@H+](CCc1ccc(F)cc1)Cc1c([O-])cccc1Cl ZINC001140341393 1131703772 /nfs/dbraw/zinc/70/37/72/1131703772.db2.gz LVVOHDKAKBNAAM-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN C[N@@H+](CCc1ccc(F)cc1)Cc1c([O-])cccc1Cl ZINC001140341393 1131703774 /nfs/dbraw/zinc/70/37/74/1131703774.db2.gz LVVOHDKAKBNAAM-UHFFFAOYSA-N 0 1 293.769 3.859 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000834876784 1131716170 /nfs/dbraw/zinc/71/61/70/1131716170.db2.gz OTPWQXBOEGBKEL-MFKMUULPSA-N 0 1 285.815 3.636 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000834881802 1131717202 /nfs/dbraw/zinc/71/72/02/1131717202.db2.gz BHIHEXYMKJSEEJ-STQMWFEESA-N 0 1 293.382 3.531 20 10 CHCDMN CC[C@@H]([NH2+]CC1(CC)COC1)c1cc(Cl)ccc1[O-] ZINC000834898463 1131721571 /nfs/dbraw/zinc/72/15/71/1131721571.db2.gz DKSLDMJLUYGHQY-CYBMUJFWSA-N 0 1 283.799 3.513 20 10 CHCDMN CCc1nc(CN[C@H](C)c2ccc3ccccc3c2O)co1 ZINC000834896971 1131722472 /nfs/dbraw/zinc/72/24/72/1131722472.db2.gz DSODDPWPUWTCNJ-GFCCVEGCSA-N 0 1 296.370 3.947 20 10 CHCDMN Cc1cc(C)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000834902024 1131727118 /nfs/dbraw/zinc/72/71/18/1131727118.db2.gz CVASSCQIKLXYEU-LBPRGKRZSA-N 0 1 290.794 3.908 20 10 CHCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140466460 1131752152 /nfs/dbraw/zinc/75/21/52/1131752152.db2.gz GKHMXCQJJMZCSA-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466460 1131752158 /nfs/dbraw/zinc/75/21/58/1131752158.db2.gz GKHMXCQJJMZCSA-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466460 1131752165 /nfs/dbraw/zinc/75/21/65/1131752165.db2.gz GKHMXCQJJMZCSA-WDEREUQCSA-N 0 1 253.773 3.666 20 10 CHCDMN CC1(C)CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466437 1131752754 /nfs/dbraw/zinc/75/27/54/1131752754.db2.gz FSQQMJGXWDLWMQ-UHFFFAOYSA-N 0 1 253.773 3.668 20 10 CHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001140586035 1131812403 /nfs/dbraw/zinc/81/24/03/1131812403.db2.gz ZVTWRSULNOBEIH-VXGBXAGGSA-N 0 1 281.346 3.683 20 10 CHCDMN CC[C@H](C)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001203068659 1131932079 /nfs/dbraw/zinc/93/20/79/1131932079.db2.gz XBEWCDPBONCDMT-JTQLQIEISA-N 0 1 255.789 3.880 20 10 CHCDMN Cc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)c(O)c1 ZINC001140957995 1131972860 /nfs/dbraw/zinc/97/28/60/1131972860.db2.gz PEBQKBOWPLOTQS-UHFFFAOYSA-N 0 1 279.383 3.990 20 10 CHCDMN COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)cc1 ZINC001140957689 1131973279 /nfs/dbraw/zinc/97/32/79/1131973279.db2.gz JEISSKCTVRDLMQ-MRXNPFEDSA-N 0 1 297.398 3.699 20 10 CHCDMN Cc1ccc(C[N@@H+](C)CC/C=C/c2cccnc2)c(O)c1 ZINC001140957541 1131974098 /nfs/dbraw/zinc/97/40/98/1131974098.db2.gz CZMQMUUVCBUFOH-ZZXKWVIFSA-N 0 1 282.387 3.631 20 10 CHCDMN CCCC[NH+](CCCC)Cc1c([O-])cc(OC)cc1OC ZINC001141028268 1131986819 /nfs/dbraw/zinc/98/68/19/1131986819.db2.gz HVDYCXYCZMNODZ-UHFFFAOYSA-N 0 1 295.423 3.812 20 10 CHCDMN COc1cc([O-])c(C[NH+](CC(C)C)CC(C)C)c(OC)c1 ZINC001141032379 1131988953 /nfs/dbraw/zinc/98/89/53/1131988953.db2.gz ZWFJPQUFOQXJJY-UHFFFAOYSA-N 0 1 295.423 3.523 20 10 CHCDMN CC[C@H](CSC)[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000773257491 1132012516 /nfs/dbraw/zinc/01/25/16/1132012516.db2.gz YERDLTGCFSGWAF-CYBMUJFWSA-N 0 1 290.432 3.514 20 10 CHCDMN CC[C@H](CSC)[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000773257491 1132012523 /nfs/dbraw/zinc/01/25/23/1132012523.db2.gz YERDLTGCFSGWAF-CYBMUJFWSA-N 0 1 290.432 3.514 20 10 CHCDMN Cc1ncc(CN[C@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000840794088 1132288185 /nfs/dbraw/zinc/28/81/85/1132288185.db2.gz CNLPCNBLSMUBKC-SECBINFHSA-N 0 1 280.755 3.501 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000840820049 1132290600 /nfs/dbraw/zinc/29/06/00/1132290600.db2.gz IYBBVCMIGKUHBJ-XYHOJCAOSA-N 0 1 265.784 3.885 20 10 CHCDMN CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231455288 1132295554 /nfs/dbraw/zinc/29/55/54/1132295554.db2.gz MLFIJKHSUBJGOV-MRXNPFEDSA-N 0 1 299.370 3.674 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840939985 1132311169 /nfs/dbraw/zinc/31/11/69/1132311169.db2.gz STBZBFGGYBEARX-STQMWFEESA-N 0 1 297.826 3.649 20 10 CHCDMN Cc1cc(N(C)C)ccc1CN(Cc1ccccn1)C1CC1 ZINC000840945391 1132311231 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CCCO[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231881974 1132390295 /nfs/dbraw/zinc/39/02/95/1132390295.db2.gz LVSYKISBGCNGCG-INIZCTEOSA-N 0 1 285.387 3.546 20 10 CHCDMN [O-]c1c(C[N@@H+]2CCC3(CC3)C2)ccc2ccccc21 ZINC001231879605 1132390603 /nfs/dbraw/zinc/39/06/03/1132390603.db2.gz KENQXMJKFSXDDD-UHFFFAOYSA-N 0 1 253.345 3.531 20 10 CHCDMN [O-]c1c(C[N@H+]2CCC3(CC3)C2)ccc2ccccc21 ZINC001231879605 1132390612 /nfs/dbraw/zinc/39/06/12/1132390612.db2.gz KENQXMJKFSXDDD-UHFFFAOYSA-N 0 1 253.345 3.531 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(Cl)cc1[O-] ZINC000841756476 1132392197 /nfs/dbraw/zinc/39/21/97/1132392197.db2.gz VVVZYDMGLXKUIA-OASPWFOLSA-N 0 1 271.763 3.977 20 10 CHCDMN CC1(C)CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879956 1132392349 /nfs/dbraw/zinc/39/23/49/1132392349.db2.gz YFSDVUZHGFKAPD-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN CC1(C)CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879956 1132392355 /nfs/dbraw/zinc/39/23/55/1132392355.db2.gz YFSDVUZHGFKAPD-UHFFFAOYSA-N 0 1 255.361 3.920 20 10 CHCDMN C[C@@H]([NH2+]CCNc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841757181 1132395221 /nfs/dbraw/zinc/39/52/21/1132395221.db2.gz FQVZXJGCFZCHSW-GFCCVEGCSA-N 0 1 290.794 3.808 20 10 CHCDMN CO[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])CC(C)C ZINC000841888008 1132399669 /nfs/dbraw/zinc/39/96/69/1132399669.db2.gz BUACWAWSXSRLJV-INIZCTEOSA-N 0 1 287.403 3.696 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001231910392 1132400651 /nfs/dbraw/zinc/40/06/51/1132400651.db2.gz NYKKULMSNXOLIM-NSHDSACASA-N 0 1 293.716 3.615 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001231910392 1132400652 /nfs/dbraw/zinc/40/06/52/1132400652.db2.gz NYKKULMSNXOLIM-NSHDSACASA-N 0 1 293.716 3.615 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142521034 1132402832 /nfs/dbraw/zinc/40/28/32/1132402832.db2.gz VCTIXVAUAFRXSB-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@H]1C ZINC001142508944 1132403051 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Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H]2C)cc1Cl ZINC001204400639 1133443208 /nfs/dbraw/zinc/44/32/08/1133443208.db2.gz FWXGFDBHMWASLB-KOLCDFICSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc1Cl ZINC001204400639 1133443209 /nfs/dbraw/zinc/44/32/09/1133443209.db2.gz FWXGFDBHMWASLB-KOLCDFICSA-N 0 1 253.773 3.584 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H]2C)cc1Cl ZINC001204400639 1133443211 /nfs/dbraw/zinc/44/32/11/1133443211.db2.gz FWXGFDBHMWASLB-KOLCDFICSA-N 0 1 253.773 3.584 20 10 CHCDMN CC[N@@H+](Cc1ccc(F)c(OC)c1)Cc1ccccc1O ZINC001204563242 1133462148 /nfs/dbraw/zinc/46/21/48/1133462148.db2.gz JEASVGMTSYBNNU-UHFFFAOYSA-N 0 1 289.350 3.562 20 10 CHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001205082297 1133525644 /nfs/dbraw/zinc/52/56/44/1133525644.db2.gz NPJZAVPJZRIZCY-RYUDHWBXSA-N 0 1 281.346 3.683 20 10 CHCDMN CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC001206277162 1133681055 /nfs/dbraw/zinc/68/10/55/1133681055.db2.gz 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C[C@]12CC[N@H+](Cc3c([O-])cccc3Cl)C[C@H]1C2(F)F ZINC000292751283 525347220 /nfs/dbraw/zinc/34/72/20/525347220.db2.gz IMMCFQGMWZPWAS-OLZOCXBDSA-N 0 1 287.737 3.523 20 10 CHCDMN C[C@]12CC[N@@H+](Cc3c([O-])cccc3Cl)C[C@H]1C2(F)F ZINC000292751283 525347229 /nfs/dbraw/zinc/34/72/29/525347229.db2.gz IMMCFQGMWZPWAS-OLZOCXBDSA-N 0 1 287.737 3.523 20 10 CHCDMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(N(C)C)cc2)o1 ZINC000020146020 525510368 /nfs/dbraw/zinc/51/03/68/525510368.db2.gz ZEONXEUHLVAUEL-CXAGYDPISA-N 0 1 284.403 3.759 20 10 CHCDMN Cc1ncsc1CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000296640931 527488851 /nfs/dbraw/zinc/48/88/51/527488851.db2.gz YARGXENFALQBRD-VIFPVBQESA-N 0 1 296.823 3.704 20 10 CHCDMN CC[C@](C)(C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])OC ZINC000834883163 1131717607 /nfs/dbraw/zinc/71/76/07/1131717607.db2.gz ZOWPICLAQJKAPE-QMTHXVAHSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140465663 1131750403 /nfs/dbraw/zinc/75/04/03/1131750403.db2.gz 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/nfs/dbraw/zinc/57/57/92/1125575792.db2.gz LPQZIZRIBXPOKF-VIFPVBQESA-N 0 1 265.740 3.798 20 10 CHCDMN CC(C)[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000135649091 1125594431 /nfs/dbraw/zinc/59/44/31/1125594431.db2.gz MBKDKCHDSNTVPA-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN CC(C)[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000135649091 1125594435 /nfs/dbraw/zinc/59/44/35/1125594435.db2.gz MBKDKCHDSNTVPA-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN CC(C)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000135649091 1125594446 /nfs/dbraw/zinc/59/44/46/1125594446.db2.gz MBKDKCHDSNTVPA-NSHDSACASA-N 0 1 253.773 3.524 20 10 CHCDMN CCC[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])OC ZINC000841758085 1125598193 /nfs/dbraw/zinc/59/81/93/1125598193.db2.gz RZMFTUYVUZGEIY-PWSUYJOCSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000136819824 1125647755 /nfs/dbraw/zinc/64/77/55/1125647755.db2.gz ANPCJPKVEYGTCG-ZWNOBZJWSA-N 0 1 253.773 3.809 20 10 CHCDMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000136819824 1125647757 /nfs/dbraw/zinc/64/77/57/1125647757.db2.gz ANPCJPKVEYGTCG-ZWNOBZJWSA-N 0 1 253.773 3.809 20 10 CHCDMN Cc1cc(N(C)C)ccc1CNCc1ccc(Cl)o1 ZINC000734509600 1129310728 /nfs/dbraw/zinc/31/07/28/1129310728.db2.gz MANZITZKACYCSB-UHFFFAOYSA-N 0 1 278.783 3.597 20 10 CHCDMN C[C@@H](F)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000382155172 1129854980 /nfs/dbraw/zinc/85/49/80/1129854980.db2.gz QZBJXBYRVGLUSW-BDAKNGLRSA-N 0 1 290.176 3.553 20 10 CHCDMN Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1C(F)F ZINC000800533948 1129882929 /nfs/dbraw/zinc/88/29/29/1129882929.db2.gz VINXNUYXRIFUHN-JTQLQIEISA-N 0 1 293.716 3.804 20 10 CHCDMN Cc1csc(C(C)(C)NCc2cc(C)c(C)cc2O)n1 ZINC000174403659 1126769828 /nfs/dbraw/zinc/76/98/28/1126769828.db2.gz UBVJSUQMKDVNPE-UHFFFAOYSA-N 0 1 290.432 3.799 20 10 CHCDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000179598618 1126830404 /nfs/dbraw/zinc/83/04/04/1126830404.db2.gz BBESVIBKGKNBAF-OAHLLOKOSA-N 0 1 290.794 3.721 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc2ccccc2c1[O-] ZINC000187975065 1126917976 /nfs/dbraw/zinc/91/79/76/1126917976.db2.gz QPRHFEQVTDMZFN-JOQOYGCGSA-N 0 1 299.414 3.747 20 10 CHCDMN CC[N@H+](CCc1nccs1)Cc1c([O-])cccc1Cl ZINC000271188756 1127072682 /nfs/dbraw/zinc/07/26/82/1127072682.db2.gz OTAONYKOFZWIKP-UHFFFAOYSA-N 0 1 296.823 3.567 20 10 CHCDMN CC[N@@H+](CCc1nccs1)Cc1c([O-])cccc1Cl ZINC000271188756 1127072685 /nfs/dbraw/zinc/07/26/85/1127072685.db2.gz OTAONYKOFZWIKP-UHFFFAOYSA-N 0 1 296.823 3.567 20 10 CHCDMN Cc1nnc([C@H](C)N[C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000274150157 1127109596 /nfs/dbraw/zinc/10/95/96/1127109596.db2.gz FGJSIUDYEICJOF-MNOVXSKESA-N 0 1 291.420 3.581 20 10 CHCDMN CC[C@@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000912854404 1127114800 /nfs/dbraw/zinc/11/48/00/1127114800.db2.gz ZNGAEUCFVNBMAC-OAHLLOKOSA-N 0 1 291.435 3.609 20 10 CHCDMN C[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816481113 1131098448 /nfs/dbraw/zinc/09/84/48/1131098448.db2.gz JJZUBJMFHKSPKR-VIFPVBQESA-N 0 1 257.736 3.559 20 10 CHCDMN CC(C)SCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609831 1131116138 /nfs/dbraw/zinc/11/61/38/1131116138.db2.gz NZRUNLVCUAZQHW-UHFFFAOYSA-N 0 1 275.417 3.777 20 10 CHCDMN C[C@H]1CC(CC[NH2+]Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000801732429 1129217606 /nfs/dbraw/zinc/21/76/06/1129217606.db2.gz KLXQAPISWBBURV-RYUDHWBXSA-N 0 1 297.826 3.729 20 10 CHCDMN Cc1ccnc([C@H](C)NCc2ccc3c(c2)CCCN3C)c1 ZINC000286019601 1127253886 /nfs/dbraw/zinc/25/38/86/1127253886.db2.gz JPPXLXVKSZABLH-HNNXBMFYSA-N 0 1 295.430 3.623 20 10 CHCDMN COCCC(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000760894218 1127319251 /nfs/dbraw/zinc/31/92/51/1127319251.db2.gz KCVBADBSHFOUQG-WCQYABFASA-N 0 1 295.398 3.732 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001231868388 1127544622 /nfs/dbraw/zinc/54/46/22/1127544622.db2.gz UTBHXSWHKGMAAS-OLZOCXBDSA-N 0 1 279.811 3.976 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001231868388 1127544625 /nfs/dbraw/zinc/54/46/25/1127544625.db2.gz UTBHXSWHKGMAAS-OLZOCXBDSA-N 0 1 279.811 3.976 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC001231911049 1127547942 /nfs/dbraw/zinc/54/79/42/1127547942.db2.gz ZQMPTCGRBROQCL-VXGBXAGGSA-N 0 1 267.800 3.914 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1cc(Cl)cc(OC)c1O ZINC000761225292 1127549980 /nfs/dbraw/zinc/54/99/80/1127549980.db2.gz BOHOCTRWXZSEGG-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN CC[N@H+](CCC1CC1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761225292 1127549981 /nfs/dbraw/zinc/54/99/81/1127549981.db2.gz BOHOCTRWXZSEGG-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN CC[N@@H+](CCC1CC1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761225292 1127549983 /nfs/dbraw/zinc/54/99/83/1127549983.db2.gz BOHOCTRWXZSEGG-UHFFFAOYSA-N 0 1 283.799 3.676 20 10 CHCDMN Oc1cccc2c1[C@H](NCc1c(F)cccc1Cl)CC2 ZINC000297909193 1127711762 /nfs/dbraw/zinc/71/17/62/1127711762.db2.gz WNYJMUNZTMJJBH-CQSZACIVSA-N 0 1 291.753 3.962 20 10 CHCDMN C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC001233074757 1127923591 /nfs/dbraw/zinc/92/35/91/1127923591.db2.gz WVFKGOKEDVVGEB-VIFPVBQESA-N 0 1 291.288 3.538 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000252178073 1128129047 /nfs/dbraw/zinc/12/90/47/1128129047.db2.gz PKNQACNRWZBPEN-QWRGUYRKSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000252178073 1128129048 /nfs/dbraw/zinc/12/90/48/1128129048.db2.gz PKNQACNRWZBPEN-QWRGUYRKSA-N 0 1 253.773 3.666 20 10 CHCDMN Cc1cc(F)c(CN[C@@H](C)c2cc(F)ccc2O)c(F)c1 ZINC000927093951 1128216181 /nfs/dbraw/zinc/21/61/81/1128216181.db2.gz OWKKRNLZVYNHPG-JTQLQIEISA-N 0 1 295.304 3.969 20 10 CHCDMN CCCN(Cc1ccccc1O)[C@H](C)c1snnc1C ZINC000929753965 1128284878 /nfs/dbraw/zinc/28/48/78/1128284878.db2.gz YYISCOIVNGOKDU-GFCCVEGCSA-N 0 1 291.420 3.525 20 10 CHCDMN Cc1cc(O)c(CN2CCO[C@@H](C(C)C)C2)cc1C(C)C ZINC000777969207 1128352431 /nfs/dbraw/zinc/35/24/31/1128352431.db2.gz OREVNBALUSUXHE-GOSISDBHSA-N 0 1 291.435 3.681 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@H+](CC(C)C)C(C)C)c1[O-] ZINC000042587671 1128578554 /nfs/dbraw/zinc/57/85/54/1128578554.db2.gz PYPOEXJYMQGIQI-UHFFFAOYSA-N 0 1 281.371 3.600 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@H+](CCC(C)C)C2CC2)c1[O-] ZINC000109277491 1117997141 /nfs/dbraw/zinc/99/71/41/1117997141.db2.gz UVJHNLASFXNXOU-UHFFFAOYSA-N 0 1 293.382 3.744 20 10 CHCDMN Cc1ccc(O)c([C@@H](C)NCc2ccn(C3CCCC3)n2)c1 ZINC000186138090 1118021424 /nfs/dbraw/zinc/02/14/24/1118021424.db2.gz VPSFZLUGRNODQZ-CQSZACIVSA-N 0 1 299.418 3.863 20 10 CHCDMN C[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000211433378 1118030029 /nfs/dbraw/zinc/03/00/29/1118030029.db2.gz DVQCITIBAWBIHS-NSHDSACASA-N 0 1 253.773 3.810 20 10 CHCDMN C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000211433378 1118030035 /nfs/dbraw/zinc/03/00/35/1118030035.db2.gz DVQCITIBAWBIHS-NSHDSACASA-N 0 1 253.773 3.810 20 10 CHCDMN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])CC(F)(F)F ZINC000827980839 1118053199 /nfs/dbraw/zinc/05/31/99/1118053199.db2.gz RWLUHMXBNKHVCK-UHFFFAOYSA-N 0 1 279.277 3.600 20 10 CHCDMN C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC000779151213 1128753419 /nfs/dbraw/zinc/75/34/19/1128753419.db2.gz VSMHNPYEGFYKIQ-YJBOKZPZSA-N 0 1 290.426 3.857 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000749976356 1118087266 /nfs/dbraw/zinc/08/72/66/1118087266.db2.gz LHCVHXPHDNPJKH-GASCZTMLSA-N 0 1 282.387 3.562 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000749976356 1118087271 /nfs/dbraw/zinc/08/72/71/1118087271.db2.gz LHCVHXPHDNPJKH-GASCZTMLSA-N 0 1 282.387 3.562 20 10 CHCDMN C[C@@H](NCc1coc(-c2ccccc2)n1)c1ccccc1O ZINC000179894553 1128764437 /nfs/dbraw/zinc/76/44/37/1128764437.db2.gz QVUWEMISRQYZPA-CYBMUJFWSA-N 0 1 294.354 3.898 20 10 CHCDMN Cc1ccc(C)c(C[N@H+]2CCC[C@H]2c2nccs2)c1O ZINC001140182745 1118250767 /nfs/dbraw/zinc/25/07/67/1118250767.db2.gz YTFOSIMJNIYQLO-AWEZNQCLSA-N 0 1 288.416 3.803 20 10 CHCDMN COc1ccc(CNCc2ccc(F)cc2F)cc1C ZINC000050198598 1118443308 /nfs/dbraw/zinc/44/33/08/1118443308.db2.gz FLFGPMGQJRPDMV-UHFFFAOYSA-N 0 1 277.314 3.572 20 10 CHCDMN Oc1ccccc1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000180162728 1128778919 /nfs/dbraw/zinc/77/89/19/1128778919.db2.gz AYWCNQIZAUQART-OAHLLOKOSA-N 0 1 285.362 3.596 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](COC)C(C)C ZINC001167522278 1118987076 /nfs/dbraw/zinc/98/70/76/1118987076.db2.gz XEZFVJMAGHEJDY-INIZCTEOSA-N 0 1 279.424 3.523 20 10 CHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](COC)C(C)C ZINC001167522278 1118987078 /nfs/dbraw/zinc/98/70/78/1118987078.db2.gz XEZFVJMAGHEJDY-INIZCTEOSA-N 0 1 279.424 3.523 20 10 CHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001140583401 1119151737 /nfs/dbraw/zinc/15/17/37/1119151737.db2.gz FFTWVXNLMWOGGW-HNNXBMFYSA-N 0 1 275.298 3.617 20 10 CHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001140583607 1119154634 /nfs/dbraw/zinc/15/46/34/1119154634.db2.gz NHZXPOXZMKXHQN-XHDPSFHLSA-N 0 1 281.346 3.825 20 10 CHCDMN CC1CCC([N@@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708399211 1119425755 /nfs/dbraw/zinc/42/57/55/1119425755.db2.gz JFPTZVVSFONRCH-UHFFFAOYSA-N 0 1 269.335 3.681 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000158995074 1119479149 /nfs/dbraw/zinc/47/91/49/1119479149.db2.gz SRVODLWKADLVGN-CWSCBRNRSA-N 0 1 298.224 3.851 20 10 CHCDMN CCc1ccc(C[N@@H+](CC)Cc2ccccc2)c(O)c1 ZINC001236783722 1128890782 /nfs/dbraw/zinc/89/07/82/1128890782.db2.gz OKZDOUKLSYFWBJ-UHFFFAOYSA-N 0 1 269.388 3.977 20 10 CHCDMN C[C@H]([NH2+]CC(C)(C)C)c1ccc(Br)cc1[O-] ZINC000309567317 1120127512 /nfs/dbraw/zinc/12/75/12/1120127512.db2.gz MNJYOSSKINSQGJ-VIFPVBQESA-N 0 1 286.213 3.851 20 10 CHCDMN COc1cc([O-])c(C[NH+]2[C@@H](C)CCC[C@@H]2C)c(Cl)c1 ZINC001236801206 1128893908 /nfs/dbraw/zinc/89/39/08/1128893908.db2.gz BQEXIUUCZYJYHL-QWRGUYRKSA-N 0 1 283.799 3.817 20 10 CHCDMN CC(C)n1cc([C@H](C)NCc2ccc3c(c2)CCCO3)cn1 ZINC000921734840 1120179229 /nfs/dbraw/zinc/17/92/29/1120179229.db2.gz IEUZEKRIBDTTNW-AWEZNQCLSA-N 0 1 299.418 3.640 20 10 CHCDMN Fc1cccc(CNCc2ccc3c(c2)CCCO3)c1F ZINC000922302876 1120505480 /nfs/dbraw/zinc/50/54/80/1120505480.db2.gz RSZTYLAMGDAMKN-UHFFFAOYSA-N 0 1 289.325 3.580 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000756562054 1120522950 /nfs/dbraw/zinc/52/29/50/1120522950.db2.gz FDLFNUPBRMQHTJ-OCCSQVGLSA-N 0 1 285.362 3.912 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000191666167 1120525665 /nfs/dbraw/zinc/52/56/65/1120525665.db2.gz NVIOGKCEZQTWRY-CYBMUJFWSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000191666167 1120525666 /nfs/dbraw/zinc/52/56/66/1120525666.db2.gz NVIOGKCEZQTWRY-CYBMUJFWSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N(C)C1CC1 ZINC000185368910 1120911024 /nfs/dbraw/zinc/91/10/24/1120911024.db2.gz BVLZCAOZTDLOGE-ZIAGYGMSSA-N 0 1 298.430 3.679 20 10 CHCDMN Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000078680581 1128955095 /nfs/dbraw/zinc/95/50/95/1128955095.db2.gz RXFRELYLZWRFOJ-SFHVURJKSA-N 0 1 297.398 3.573 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1cnccn1 ZINC000282498666 1121033784 /nfs/dbraw/zinc/03/37/84/1121033784.db2.gz QQIIYRFRTSHYLN-AWEZNQCLSA-N 0 1 285.391 3.546 20 10 CHCDMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685706 1121073130 /nfs/dbraw/zinc/07/31/30/1121073130.db2.gz UBMZOLGSXROMGX-NSHDSACASA-N 0 1 289.325 3.790 20 10 CHCDMN Oc1c(CNc2cc(F)cc(F)c2)ccc(F)c1F ZINC000703341867 1121247576 /nfs/dbraw/zinc/24/75/76/1121247576.db2.gz QPXLSVIXHAHHPA-UHFFFAOYSA-N 0 1 271.213 3.561 20 10 CHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCCC12CC2 ZINC000706932471 1121446592 /nfs/dbraw/zinc/44/65/92/1121446592.db2.gz BEPORTMFYKTNMR-ZDUSSCGKSA-N 0 1 296.208 3.577 20 10 CHCDMN C[C@H](CC1CCC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000710188618 1121474487 /nfs/dbraw/zinc/47/44/87/1121474487.db2.gz FZOCPHSDEJVEAY-SNVBAGLBSA-N 0 1 298.224 3.823 20 10 CHCDMN CSC1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000877662961 1121737874 /nfs/dbraw/zinc/73/78/74/1121737874.db2.gz AVCNLMUUQLYZKW-UHFFFAOYSA-N 0 1 285.840 3.681 20 10 CHCDMN CCC[N@H+](CCc1ccccc1)Cc1ccccc1[O-] ZINC000727831338 1121750177 /nfs/dbraw/zinc/75/01/77/1121750177.db2.gz WVAFWTOYZIEUPI-UHFFFAOYSA-N 0 1 269.388 3.847 20 10 CHCDMN CCC[N@@H+](CCc1ccccc1)Cc1ccccc1[O-] ZINC000727831338 1121750180 /nfs/dbraw/zinc/75/01/80/1121750180.db2.gz WVAFWTOYZIEUPI-UHFFFAOYSA-N 0 1 269.388 3.847 20 10 CHCDMN CCO[C@@H](CC[NH2+]Cc1c([O-])cc(C)cc1Cl)C(C)C ZINC001177942942 1121759374 /nfs/dbraw/zinc/75/93/74/1121759374.db2.gz KFTQFJPVOCEULT-INIZCTEOSA-N 0 1 299.842 3.895 20 10 CHCDMN CCN(C)c1ccc(CN(C)Cc2ccc(C)o2)cc1 ZINC000773734901 1121774039 /nfs/dbraw/zinc/77/40/39/1121774039.db2.gz SQZTWWYDCUUXDB-UHFFFAOYSA-N 0 1 272.392 3.676 20 10 CHCDMN CC1(C)CC[C@H](CC[NH2+]Cc2c([O-])cccc2Cl)OC1 ZINC001179685394 1121899050 /nfs/dbraw/zinc/89/90/50/1121899050.db2.gz LUDXYLIGKTVHSQ-GFCCVEGCSA-N 0 1 297.826 3.731 20 10 CHCDMN Cc1ccc(F)c(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])c1 ZINC001181285279 1122046295 /nfs/dbraw/zinc/04/62/95/1122046295.db2.gz LLTLWMROLXHQEO-UHFFFAOYSA-N 0 1 295.304 3.750 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC001183521188 1122226336 /nfs/dbraw/zinc/22/63/36/1122226336.db2.gz VYQBLYKVADYGCZ-NSHDSACASA-N 0 1 271.763 3.536 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC001183521188 1122226341 /nfs/dbraw/zinc/22/63/41/1122226341.db2.gz VYQBLYKVADYGCZ-NSHDSACASA-N 0 1 271.763 3.536 20 10 CHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001191276905 1122588743 /nfs/dbraw/zinc/58/87/43/1122588743.db2.gz GNPITAZISPHBCC-YOWGUQMCSA-N 0 1 295.373 3.896 20 10 CHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001191276905 1122588745 /nfs/dbraw/zinc/58/87/45/1122588745.db2.gz GNPITAZISPHBCC-YOWGUQMCSA-N 0 1 295.373 3.896 20 10 CHCDMN CC[C@@H](COC)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775510202 1122631221 /nfs/dbraw/zinc/63/12/21/1122631221.db2.gz WQRWWTBPWKCNHE-AAEUAGOBSA-N 0 1 271.788 3.511 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000775508365 1122631282 /nfs/dbraw/zinc/63/12/82/1122631282.db2.gz BOTLXBFAWXZTFF-KYOSRNDESA-N 0 1 297.826 3.637 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000775508265 1122632047 /nfs/dbraw/zinc/63/20/47/1122632047.db2.gz BANLWBSYWOJBDX-TUKIKUTGSA-N 0 1 297.826 3.637 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775510013 1122632182 /nfs/dbraw/zinc/63/21/82/1122632182.db2.gz WZMBVZLHOFAZJI-SUNKGSAMSA-N 0 1 283.799 3.511 20 10 CHCDMN CC[C@@H]([NH2+]CCc1ccncc1)c1cc(Cl)ccc1[O-] ZINC000775513765 1122634937 /nfs/dbraw/zinc/63/49/37/1122634937.db2.gz MASMYCWACJZPSR-OAHLLOKOSA-N 0 1 290.794 3.724 20 10 CHCDMN Cc1cc(Cl)cc(CN2CCc3sccc3C2)c1O ZINC000775648047 1122856343 /nfs/dbraw/zinc/85/63/43/1122856343.db2.gz NWMCRXNZWMILIJ-UHFFFAOYSA-N 0 1 293.819 3.974 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000775662946 1122874481 /nfs/dbraw/zinc/87/44/81/1122874481.db2.gz XASOPRPBILTNHY-YGRLFVJLSA-N 0 1 283.774 3.949 20 10 CHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1Cc2ccccc2C1 ZINC000775661558 1122875702 /nfs/dbraw/zinc/87/57/02/1122875702.db2.gz QLBJQHBMBHGWRH-UHFFFAOYSA-N 0 1 287.790 3.645 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)S1 ZINC000775664600 1122876608 /nfs/dbraw/zinc/87/66/08/1122876608.db2.gz NIBXUWZOTOZCIG-DTORHVGOSA-N 0 1 289.803 3.511 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000775669061 1122882615 /nfs/dbraw/zinc/88/26/15/1122882615.db2.gz DECAAQSVZKRFQA-CQSZACIVSA-N 0 1 265.784 3.810 20 10 CHCDMN CCCN(Cc1cc(Cl)cc(F)c1O)CC(F)F ZINC000775669229 1122883297 /nfs/dbraw/zinc/88/32/97/1122883297.db2.gz WMEUTLURDGPZDP-UHFFFAOYSA-N 0 1 281.705 3.662 20 10 CHCDMN CC[N@@H+](Cc1ccoc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775674428 1122891100 /nfs/dbraw/zinc/89/11/00/1122891100.db2.gz AFKKJEFVYXOCKI-UHFFFAOYSA-N 0 1 283.730 3.800 20 10 CHCDMN C[C@@H]([N@@H+](C)Cc1cc(Cl)cc(F)c1[O-])C1(C)CC1 ZINC000775735859 1122929839 /nfs/dbraw/zinc/92/98/39/1122929839.db2.gz DECPFFMIBPKUDB-SECBINFHSA-N 0 1 271.763 3.805 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C(C)C)cc1Cl ZINC001205831614 1122986302 /nfs/dbraw/zinc/98/63/02/1122986302.db2.gz JJQDINMQSFWIBH-AAEUAGOBSA-N 0 1 267.800 3.736 20 10 CHCDMN CN(CCC(F)(F)F)Cc1ccc(N2CCCC2)cc1 ZINC001202347913 1123196887 /nfs/dbraw/zinc/19/68/87/1123196887.db2.gz MJCCBPBGGJFWMN-UHFFFAOYSA-N 0 1 286.341 3.671 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000850386327 1123261287 /nfs/dbraw/zinc/26/12/87/1123261287.db2.gz HSZSMWGFEIMKAQ-OAHLLOKOSA-N 0 1 289.762 3.528 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000850481923 1123273518 /nfs/dbraw/zinc/27/35/18/1123273518.db2.gz OQJJSJLLFSBDFI-WCQYABFASA-N 0 1 296.842 3.569 20 10 CHCDMN C[C@@H]([NH2+][C@H]1C=CCC1)c1cc(Br)ccc1[O-] ZINC000850507189 1123277360 /nfs/dbraw/zinc/27/73/60/1123277360.db2.gz DOONKBVDHDCJHK-KOLCDFICSA-N 0 1 282.181 3.524 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc2ccccc2c1[O-] ZINC000850525080 1123280765 /nfs/dbraw/zinc/28/07/65/1123280765.db2.gz KYGCOUWPAYIGCM-HIFRSBDPSA-N 0 1 297.398 3.908 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(Cl)cc1[O-] ZINC000850553200 1123290181 /nfs/dbraw/zinc/29/01/81/1123290181.db2.gz TZJMQSLDDJEHIC-PRHODGIISA-N 0 1 289.753 3.988 20 10 CHCDMN CC[C@@H]([NH2+][C@H](C)c1nccn1C)c1cc(Cl)ccc1[O-] ZINC000850572746 1123294954 /nfs/dbraw/zinc/29/49/54/1123294954.db2.gz OZPINMUYRXDPMP-ZWNOBZJWSA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@@H](N[C@H](C)c1nccn1C)c1cc(Cl)ccc1O ZINC000850572746 1123294955 /nfs/dbraw/zinc/29/49/55/1123294955.db2.gz OZPINMUYRXDPMP-ZWNOBZJWSA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cc(Cl)ccc1[O-] ZINC000850572744 1123295645 /nfs/dbraw/zinc/29/56/45/1123295645.db2.gz OZPINMUYRXDPMP-GXFFZTMASA-N 0 1 293.798 3.581 20 10 CHCDMN CC[C@@H](N[C@@H](C)c1nccn1C)c1cc(Cl)ccc1O ZINC000850572744 1123295647 /nfs/dbraw/zinc/29/56/47/1123295647.db2.gz OZPINMUYRXDPMP-GXFFZTMASA-N 0 1 293.798 3.581 20 10 CHCDMN C[C@H]([NH2+]CCCOC(F)F)c1ccc2ccccc2c1[O-] ZINC000194030169 1129129207 /nfs/dbraw/zinc/12/92/07/1129129207.db2.gz ZAFGEMDWZFRCON-NSHDSACASA-N 0 1 295.329 3.825 20 10 CHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856806758 1123570095 /nfs/dbraw/zinc/57/00/95/1123570095.db2.gz HKYYETVGVHPNAE-QMMMGPOBSA-N 0 1 294.609 3.719 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)ccc2ccccc21 ZINC000896862992 1123649988 /nfs/dbraw/zinc/64/99/88/1123649988.db2.gz LWWBTWNWSIYQHK-GXTWGEPZSA-N 0 1 295.304 3.833 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2c(O)ccc3ccncc32)s1 ZINC000728048620 1123660018 /nfs/dbraw/zinc/66/00/18/1123660018.db2.gz XRKMJSUADKHNTD-UHFFFAOYSA-N 0 1 298.411 3.942 20 10 CHCDMN Cc1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)s1 ZINC000728048620 1123660019 /nfs/dbraw/zinc/66/00/19/1123660019.db2.gz XRKMJSUADKHNTD-UHFFFAOYSA-N 0 1 298.411 3.942 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)s1 ZINC000728048620 1123660021 /nfs/dbraw/zinc/66/00/21/1123660021.db2.gz XRKMJSUADKHNTD-UHFFFAOYSA-N 0 1 298.411 3.942 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccns1 ZINC000858576112 1123664002 /nfs/dbraw/zinc/66/40/02/1123664002.db2.gz IIYJXCMNJOWRFU-DTWKUNHWSA-N 0 1 282.796 3.914 20 10 CHCDMN CCC[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])OCC ZINC000862435414 1123809225 /nfs/dbraw/zinc/80/92/25/1123809225.db2.gz YMTMFXISJORVFI-INIZCTEOSA-N 0 1 287.403 3.840 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@H](C)C1(F)F ZINC000862444307 1123812138 /nfs/dbraw/zinc/81/21/38/1123812138.db2.gz VEGBPWOMORMMNN-AOOOYVTPSA-N 0 1 289.753 3.769 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@H](C)C1(F)F ZINC000862444307 1123812142 /nfs/dbraw/zinc/81/21/42/1123812142.db2.gz VEGBPWOMORMMNN-AOOOYVTPSA-N 0 1 289.753 3.769 20 10 CHCDMN Cc1cc(CN2CCOC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000195566073 1129146933 /nfs/dbraw/zinc/14/69/33/1129146933.db2.gz ABEPVXFQNFMUHY-UHFFFAOYSA-N 0 1 291.435 3.609 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC(F)(F)CC2)c(Cl)c1 ZINC000862467310 1123813515 /nfs/dbraw/zinc/81/35/15/1123813515.db2.gz RVDDUJVRDDMIEL-UHFFFAOYSA-N 0 1 289.753 3.975 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCCC(F)(F)CC2)c(Cl)c1 ZINC000862467310 1123813521 /nfs/dbraw/zinc/81/35/21/1123813521.db2.gz RVDDUJVRDDMIEL-UHFFFAOYSA-N 0 1 289.753 3.975 20 10 CHCDMN C[C@H]([NH2+]C1(C2CCC2)CCC1)c1cc(F)ccc1[O-] ZINC000840812291 1123818672 /nfs/dbraw/zinc/81/86/72/1123818672.db2.gz XYUAQQFVNLERQW-NSHDSACASA-N 0 1 263.356 3.905 20 10 CHCDMN COc1cccc2c1C[N@@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000863320055 1123860129 /nfs/dbraw/zinc/86/01/29/1123860129.db2.gz GCIYTVVBRPJUQV-UHFFFAOYSA-N 0 1 283.371 3.533 20 10 CHCDMN COc1cccc2c1CN(Cc1cc(C)cc(C)c1O)C2 ZINC000863320055 1123860132 /nfs/dbraw/zinc/86/01/32/1123860132.db2.gz GCIYTVVBRPJUQV-UHFFFAOYSA-N 0 1 283.371 3.533 20 10 CHCDMN CN(C)c1ccc(CNCc2sccc2Cl)cc1 ZINC000192983843 1123868979 /nfs/dbraw/zinc/86/89/79/1123868979.db2.gz AYAYYGBSRHGSLD-UHFFFAOYSA-N 0 1 280.824 3.757 20 10 CHCDMN C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1cc(Cl)ccc1[O-] ZINC000840876487 1123894476 /nfs/dbraw/zinc/89/44/76/1123894476.db2.gz NDUQEKMGANCWPD-NSHDSACASA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@H](NCc1cccnc1F)c1ccc(N(C)C)cc1 ZINC000794832705 1123969946 /nfs/dbraw/zinc/96/99/46/1123969946.db2.gz DBXXBPQJXPDEIA-INIZCTEOSA-N 0 1 287.382 3.528 20 10 CHCDMN CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000794836583 1123971539 /nfs/dbraw/zinc/97/15/39/1123971539.db2.gz UIOBUFADZFQZSH-ZFWWWQNUSA-N 0 1 297.826 3.637 20 10 CHCDMN CC[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000794836581 1123971602 /nfs/dbraw/zinc/97/16/02/1123971602.db2.gz UIOBUFADZFQZSH-HIFRSBDPSA-N 0 1 297.826 3.637 20 10 CHCDMN CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000866414763 1124064848 /nfs/dbraw/zinc/06/48/48/1124064848.db2.gz KKPDLQKPWVHRRL-ZFWWWQNUSA-N 0 1 287.403 3.747 20 10 CHCDMN O=c1cc(C[C@@H]2CCCO2)[nH]n1-c1cccc2ccccc21 ZINC000871946576 1124654075 /nfs/dbraw/zinc/65/40/75/1124654075.db2.gz FOZJOIBAEYLHRH-HNNXBMFYSA-N 0 1 294.354 3.502 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cc(Cl)ccc1[O-] ZINC000872110039 1124686461 /nfs/dbraw/zinc/68/64/61/1124686461.db2.gz VJWXYKSLFAAPAA-DZJQYVJYSA-N 0 1 295.810 3.654 20 10 CHCDMN C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876719949 1124972968 /nfs/dbraw/zinc/97/29/68/1124972968.db2.gz BORCJZQCCQYNKW-SNVBAGLBSA-N 0 1 293.313 3.569 20 10 CHCDMN Cc1cccc(O)c1CNCc1nc(C(C)(C)C)cs1 ZINC000877017940 1124998438 /nfs/dbraw/zinc/99/84/38/1124998438.db2.gz XMYGDQUYNFKXTD-UHFFFAOYSA-N 0 1 290.432 3.744 20 10 CHCDMN CCc1nc([C@H](C)NCc2ccc(C)cc2O)cs1 ZINC000877045901 1125001207 /nfs/dbraw/zinc/00/12/07/1125001207.db2.gz FULFMBMJFYKQBS-NSHDSACASA-N 0 1 276.405 3.570 20 10 CHCDMN Cc1ccc(CN[C@@H]2CCCc3cn(C(C)C)nc32)c(O)c1 ZINC000877375948 1125023277 /nfs/dbraw/zinc/02/32/77/1125023277.db2.gz JOSBBHXHBAIMEU-MRXNPFEDSA-N 0 1 299.418 3.645 20 10 CHCDMN COc1cccc(Cl)c1CNCc1ccc(C)cc1O ZINC000877471995 1125031733 /nfs/dbraw/zinc/03/17/33/1125031733.db2.gz GUAXRTUMQVGFNG-UHFFFAOYSA-N 0 1 291.778 3.652 20 10 CHCDMN Cc1ccc(CN2CC(C)(C)[C@@H]2c2ccncc2)c(O)c1 ZINC000877548698 1125042267 /nfs/dbraw/zinc/04/22/67/1125042267.db2.gz RRAOFKJHKCJCTB-KRWDZBQOSA-N 0 1 282.387 3.679 20 10 CHCDMN Oc1c(CNc2cccc(C3CC3)n2)ccc(F)c1F ZINC000877549662 1125045272 /nfs/dbraw/zinc/04/52/72/1125045272.db2.gz FZDBWIGOVGEJCR-UHFFFAOYSA-N 0 1 276.286 3.555 20 10 CHCDMN CCN(C)c1ccc([C@@H](C)NCc2cccc(C)n2)cc1 ZINC000127228788 1125163859 /nfs/dbraw/zinc/16/38/59/1125163859.db2.gz LWJQWQCIIAUUOJ-OAHLLOKOSA-N 0 1 283.419 3.697 20 10 CHCDMN Cc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc(C)n1 ZINC000826130869 1125239470 /nfs/dbraw/zinc/23/94/70/1125239470.db2.gz MOIULGQODDOEPR-UHFFFAOYSA-N 0 1 290.794 3.656 20 10 CHCDMN C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1cc(F)ccc1[O-] ZINC000883259500 1125387124 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C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000248487978 1129419377 /nfs/dbraw/zinc/41/93/77/1129419377.db2.gz GLQRBBFBPZODTN-SQWLQELKSA-N 0 1 299.414 3.747 20 10 CHCDMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2O)C1 ZINC000093868829 1129428578 /nfs/dbraw/zinc/42/85/78/1129428578.db2.gz YRIXGWKYTNNNDG-UONOGXRCSA-N 0 1 295.448 3.507 20 10 CHCDMN CCN(C)c1ccc(CN2CCn3cccc3[C@H]2C)cc1 ZINC000741752655 1129451122 /nfs/dbraw/zinc/45/11/22/1129451122.db2.gz DFIVDBGYZFHZFX-OAHLLOKOSA-N 0 1 283.419 3.521 20 10 CHCDMN C[C@H]1CCC[C@H](C)[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000742154175 1129468942 /nfs/dbraw/zinc/46/89/42/1129468942.db2.gz FBUNGRJJXAUDBA-KBPBESRZSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000742154175 1129468944 /nfs/dbraw/zinc/46/89/44/1129468944.db2.gz FBUNGRJJXAUDBA-KBPBESRZSA-N 0 1 284.403 3.951 20 10 CHCDMN Cc1csc([C@@H](C)NCc2cc(C)c(C)cc2O)n1 ZINC000742369878 1129471688 /nfs/dbraw/zinc/47/16/88/1129471688.db2.gz 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CC[C@H]1[C@@H](C)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001462123245 1130198263 /nfs/dbraw/zinc/19/82/63/1130198263.db2.gz ATGXFJBSBPHUES-CABZTGNLSA-N 0 1 271.763 3.805 20 10 CHCDMN CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000826868364 1130298914 /nfs/dbraw/zinc/29/89/14/1130298914.db2.gz RRZCWFPAYXRCGU-MRXNPFEDSA-N 0 1 298.430 3.508 20 10 CHCDMN COc1ccc(O)c(CNc2nccc(C)c2C2CC2)c1 ZINC000827011776 1130337719 /nfs/dbraw/zinc/33/77/19/1130337719.db2.gz ORIBRSRWZAERST-UHFFFAOYSA-N 0 1 284.359 3.594 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCC(C)(C)F)cc1Cl ZINC000827189708 1130480202 /nfs/dbraw/zinc/48/02/02/1130480202.db2.gz MVHQALHMZMRHRL-UHFFFAOYSA-N 0 1 259.752 3.582 20 10 CHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000793231494 1130533251 /nfs/dbraw/zinc/53/32/51/1130533251.db2.gz OPZYBCNIWWCXGU-WCBMZHEXSA-N 0 1 293.716 3.818 20 10 CHCDMN Fc1ncccc1CNCc1ccc(N2CCCCC2)cc1 ZINC000793284609 1130537920 /nfs/dbraw/zinc/53/79/20/1130537920.db2.gz JEXAJCPKTARTFK-UHFFFAOYSA-N 0 1 299.393 3.501 20 10 CHCDMN CCC[C@@H]1C[N@@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000758389923 1130609429 /nfs/dbraw/zinc/60/94/29/1130609429.db2.gz LKNUBOFRLFDRCA-MRXNPFEDSA-N 0 1 291.435 3.825 20 10 CHCDMN CCC[C@@H]1CN(Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000758389923 1130609434 /nfs/dbraw/zinc/60/94/34/1130609434.db2.gz LKNUBOFRLFDRCA-MRXNPFEDSA-N 0 1 291.435 3.825 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513833 1130620606 /nfs/dbraw/zinc/62/06/06/1130620606.db2.gz SBOHIQCVSZYRNH-OAHLLOKOSA-N 0 1 277.795 3.810 20 10 CHCDMN CC1(C2CC2)CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000811784970 1130647069 /nfs/dbraw/zinc/64/70/69/1130647069.db2.gz QEKLJBKPCICJMS-UHFFFAOYSA-N 0 1 296.414 3.953 20 10 CHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000781895503 1130745778 /nfs/dbraw/zinc/74/57/78/1130745778.db2.gz UHGJYEFPENYHIO-LLVKDONJSA-N 0 1 298.224 3.838 20 10 CHCDMN CC(C)(C)c1ccc(CN2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001235673844 1130765238 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1130953686 /nfs/dbraw/zinc/95/36/86/1130953686.db2.gz ZNCIXWDPVGSOBD-UHFFFAOYSA-N 0 1 272.392 3.676 20 10 CHCDMN Oc1ccc(Cl)c(F)c1CNc1cc2c(cn1)CCC2 ZINC000815158985 1130963495 /nfs/dbraw/zinc/96/34/95/1130963495.db2.gz DGDZCSACIMBQLJ-UHFFFAOYSA-N 0 1 292.741 3.681 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H](C)C2)c(Cl)c1 ZINC001236799701 1131010042 /nfs/dbraw/zinc/01/00/42/1131010042.db2.gz WMQAVALRRYOZHM-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@@H](C)C2)c(Cl)c1 ZINC001236799701 1131010047 /nfs/dbraw/zinc/01/00/47/1131010047.db2.gz WMQAVALRRYOZHM-LLVKDONJSA-N 0 1 283.799 3.676 20 10 CHCDMN COc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)c([O-])c1Cl ZINC001236807597 1131012796 /nfs/dbraw/zinc/01/27/96/1131012796.db2.gz QRZCHZUEBGTDCO-LLVKDONJSA-N 0 1 283.799 3.532 20 10 CHCDMN COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c([O-])c1Cl ZINC001236812465 1131013036 /nfs/dbraw/zinc/01/30/36/1131013036.db2.gz WRPOMOKCBXQISW-DGCLKSJQSA-N 0 1 295.810 3.819 20 10 CHCDMN Cc1ccc(O)c([C@H](C)NCc2c(F)cc(F)cc2F)c1 ZINC000815650046 1131017029 /nfs/dbraw/zinc/01/70/29/1131017029.db2.gz HAFDFPABEZXLBT-JTQLQIEISA-N 0 1 295.304 3.969 20 10 CHCDMN CC1=CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000798090658 1131024654 /nfs/dbraw/zinc/02/46/54/1131024654.db2.gz WGFUGCBGVSUDTM-UHFFFAOYSA-N 0 1 272.175 3.851 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237077104 1131045775 /nfs/dbraw/zinc/04/57/75/1131045775.db2.gz CVSYLEQQDXGIJN-MRVPVSSYSA-N 0 1 260.164 3.541 20 10 CHCDMN CCO[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816477700 1131096490 /nfs/dbraw/zinc/09/64/90/1131096490.db2.gz HOLUPVKZRXKXJB-INIZCTEOSA-N 0 1 285.387 3.546 20 10 CHCDMN CCO[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816477700 1131096496 /nfs/dbraw/zinc/09/64/96/1131096496.db2.gz HOLUPVKZRXKXJB-INIZCTEOSA-N 0 1 285.387 3.546 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816481881 1131098711 /nfs/dbraw/zinc/09/87/11/1131098711.db2.gz LQHYVFAXUUJIJF-UHFFFAOYSA-N 0 1 283.730 3.718 20 10 CHCDMN C[C@H](C1CC1)[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816488445 1131098985 /nfs/dbraw/zinc/09/89/85/1131098985.db2.gz UFWDKUBWQCNEIV-GFCCVEGCSA-N 0 1 255.361 3.776 20 10 CHCDMN C[C@H](C1CC1)[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816488445 1131098986 /nfs/dbraw/zinc/09/89/86/1131098986.db2.gz UFWDKUBWQCNEIV-GFCCVEGCSA-N 0 1 255.361 3.776 20 10 CHCDMN COCC[N@H+](Cc1ccc2ccccc2c1[O-])C1CCCC1 ZINC000816489935 1131100816 /nfs/dbraw/zinc/10/08/16/1131100816.db2.gz HSKGCTRIZFMJPG-UHFFFAOYSA-N 0 1 299.414 3.936 20 10 CHCDMN COCC[N@@H+](Cc1ccc2ccccc2c1[O-])C1CCCC1 ZINC000816489935 1131100821 /nfs/dbraw/zinc/10/08/21/1131100821.db2.gz HSKGCTRIZFMJPG-UHFFFAOYSA-N 0 1 299.414 3.936 20 10 CHCDMN CCC(C)(C)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816507635 1131102481 /nfs/dbraw/zinc/10/24/81/1131102481.db2.gz NRTQGSCTWWTPJR-UHFFFAOYSA-N 0 1 259.752 3.805 20 10 CHCDMN CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816509204 1131104046 /nfs/dbraw/zinc/10/40/46/1131104046.db2.gz 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10 CHCDMN [O-]c1c(C[N@H+]2CCC3(CCC3)C2)cccc1C(F)(F)F ZINC001233418439 1132618284 /nfs/dbraw/zinc/61/82/84/1132618284.db2.gz HBVHRBICWVSDOP-UHFFFAOYSA-N 0 1 285.309 3.787 20 10 CHCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CCC(CF)CC1 ZINC001233454426 1132624755 /nfs/dbraw/zinc/62/47/55/1132624755.db2.gz USONWMZTIMJOGK-UHFFFAOYSA-N 0 1 291.288 3.593 20 10 CHCDMN C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452450 1132624920 /nfs/dbraw/zinc/62/49/20/1132624920.db2.gz XFJGMCUCDHGRAR-CABZTGNLSA-N 0 1 291.288 3.591 20 10 CHCDMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452450 1132624925 /nfs/dbraw/zinc/62/49/25/1132624925.db2.gz XFJGMCUCDHGRAR-CABZTGNLSA-N 0 1 291.288 3.591 20 10 CHCDMN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455143 1132625594 /nfs/dbraw/zinc/62/55/94/1132625594.db2.gz XYEANVNDKVJNFA-QWRGUYRKSA-N 0 1 287.325 3.889 20 10 CHCDMN CCN(Cc1ccccc1O)c1cc(OC(C)C)ccn1 ZINC001154888645 1132629592 /nfs/dbraw/zinc/62/95/92/1132629592.db2.gz GBAWLVOJOZOCRD-UHFFFAOYSA-N 0 1 286.375 3.601 20 10 CHCDMN CCC[NH+](CCC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233728641 1132671505 /nfs/dbraw/zinc/67/15/05/1132671505.db2.gz XXRZGJGWQOEATF-UHFFFAOYSA-N 0 1 291.313 3.913 20 10 CHCDMN C[N@H+](CCC1CC1)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233767472 1132677691 /nfs/dbraw/zinc/67/76/91/1132677691.db2.gz CSHKKEAUHDAXNL-UHFFFAOYSA-N 0 1 289.297 3.523 20 10 CHCDMN C[N@@H+](CCC1CC1)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233767472 1132677696 /nfs/dbraw/zinc/67/76/96/1132677696.db2.gz CSHKKEAUHDAXNL-UHFFFAOYSA-N 0 1 289.297 3.523 20 10 CHCDMN COc1ccc2c(ccnc2NCc2cccc(C)c2O)c1 ZINC001160769063 1132981226 /nfs/dbraw/zinc/98/12/26/1132981226.db2.gz JFVDKZURHQDXOC-UHFFFAOYSA-N 0 1 294.354 3.870 20 10 CHCDMN COc1ccc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c([O-])c1 ZINC001203629253 1133345950 /nfs/dbraw/zinc/34/59/50/1133345950.db2.gz UMJUGSUOBZYNAQ-KRWDZBQOSA-N 0 1 289.419 3.946 20 10 CHCDMN COc1ccc(C[N@H+]2CCC[C@H]2C2CCCCC2)c([O-])c1 ZINC001203629253 1133345957 /nfs/dbraw/zinc/34/59/57/1133345957.db2.gz UMJUGSUOBZYNAQ-KRWDZBQOSA-N 0 1 289.419 3.946 20 10 CHCDMN Cc1cc([O-])c(C[NH+]2CCC(CCF)CC2)c(Cl)c1 ZINC001207076581 1133766345 /nfs/dbraw/zinc/76/63/45/1133766345.db2.gz SZYPWWSPNBNRQW-UHFFFAOYSA-N 0 1 285.790 3.926 20 10 CHCDMN Cc1ccc2[nH]cc(C[N@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001209493478 1134030749 /nfs/dbraw/zinc/03/07/49/1134030749.db2.gz HRUOEYUGYMEGEA-UHFFFAOYSA-N 0 1 292.382 3.740 20 10 CHCDMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(Br)c1[O-] ZINC000136818895 1134413652 /nfs/dbraw/zinc/41/36/52/1134413652.db2.gz UTPMLUXQIYZMQH-CMPLNLGQSA-N 0 1 298.224 3.918 20 10 CHCDMN O=C1C=CC(=N[N-]c2cccc[nH+]2)C(OC2CC2)=C1 ZINC001227489397 1135840049 /nfs/dbraw/zinc/84/00/49/1135840049.db2.gz MIFKFRGQYYIBAS-WUKNDPDISA-N 0 1 255.277 3.744 20 10 CHCDMN Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000020134188 171021952 /nfs/dbraw/zinc/02/19/52/171021952.db2.gz YIJMNTPDJHKOIK-UHFFFAOYSA-N 0 1 261.752 3.644 20 10 CHCDMN Fc1cccc(C2(NCc3ccc4c(c3)CCO4)CC2)c1 ZINC000152867954 261070618 /nfs/dbraw/zinc/07/06/18/261070618.db2.gz JWJBXLRILQDNDS-UHFFFAOYSA-N 0 1 283.346 3.540 20 10 CHCDMN CC[C@H](NCc1c(C)noc1C)c1ccc(N(C)C)cc1 ZINC000153942078 261085639 /nfs/dbraw/zinc/08/56/39/261085639.db2.gz YSAJVCJFWVEUKL-KRWDZBQOSA-N 0 1 287.407 3.598 20 10 CHCDMN CC[C@@H](N[C@H](COC)c1ccc(C)o1)c1ccccc1O ZINC000156179963 261115986 /nfs/dbraw/zinc/11/59/86/261115986.db2.gz VMVLJNJKIDYHSP-HUUCEWRRSA-N 0 1 289.375 3.722 20 10 CHCDMN C[C@H]([NH2+]CCCOCC1CC1)c1cc(Cl)ccc1[O-] ZINC000184900854 262033353 /nfs/dbraw/zinc/03/33/53/262033353.db2.gz RUGOUYJEHWFTEW-NSHDSACASA-N 0 1 283.799 3.513 20 10 CHCDMN CCc1cnc(CN[C@H](C)c2cc(Cl)ccc2O)s1 ZINC000185584133 262061142 /nfs/dbraw/zinc/06/11/42/262061142.db2.gz CBDZFPITLRPYIF-SECBINFHSA-N 0 1 296.823 3.915 20 10 CHCDMN C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000185771798 262069668 /nfs/dbraw/zinc/06/96/68/262069668.db2.gz AASAGWINFRAWIS-NYDIPFLSSA-N 0 1 295.810 3.654 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000185771819 262069733 /nfs/dbraw/zinc/06/97/33/262069733.db2.gz AASAGWINFRAWIS-UUFMSHNVSA-N 0 1 295.810 3.654 20 10 CHCDMN C[C@H]([NH2+]CCCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000186140568 262081078 /nfs/dbraw/zinc/08/10/78/262081078.db2.gz HSEPBPUFEPTIFA-LBPRGKRZSA-N 0 1 290.794 3.724 20 10 CHCDMN CCc1cnc(CN[C@H](C)c2cc(C)ccc2O)s1 ZINC000185584175 262306030 /nfs/dbraw/zinc/30/60/30/262306030.db2.gz GUSNJNFJWSFNHA-LLVKDONJSA-N 0 1 276.405 3.570 20 10 CHCDMN COC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000186153778 262312255 /nfs/dbraw/zinc/31/22/55/262312255.db2.gz QCDYXXGRXGGINU-SJKOYZFVSA-N 0 1 285.387 3.621 20 10 CHCDMN CCc1ccc([C@@H](COC)N[C@H](C)c2ccccc2O)o1 ZINC000183530164 327820276 /nfs/dbraw/zinc/82/02/76/327820276.db2.gz FCNMNCRQAMFMOX-IUODEOHRSA-N 0 1 289.375 3.586 20 10 CHCDMN C[C@@H]([NH2+]CC1CC=CC1)c1ccc(Br)cc1[O-] ZINC000527951693 330294473 /nfs/dbraw/zinc/29/44/73/330294473.db2.gz ROGVNADGDGSTNU-SNVBAGLBSA-N 0 1 296.208 3.772 20 10 CHCDMN COCCC1CC[NH+]([C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000527930921 330297402 /nfs/dbraw/zinc/29/74/02/330297402.db2.gz ACLIKQIIXBGNRD-LBPRGKRZSA-N 0 1 297.826 3.855 20 10 CHCDMN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000230664221 333320080 /nfs/dbraw/zinc/32/00/80/333320080.db2.gz SVLDXMFOWJHGCX-CXAGYDPISA-N 0 1 287.403 3.603 20 10 CHCDMN C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000273534648 334766844 /nfs/dbraw/zinc/76/68/44/334766844.db2.gz XECQLVUGNYPRIW-UMVBOHGHSA-N 0 1 285.387 3.764 20 10 CHCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291590877 521342116 /nfs/dbraw/zinc/34/21/16/521342116.db2.gz PTXLQLDEZRUMFD-ZDUSSCGKSA-N 0 1 297.826 3.825 20 10 CHCDMN CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000094936314 522509802 /nfs/dbraw/zinc/50/98/02/522509802.db2.gz BAEKVJVUDXQGJY-KBPBESRZSA-N 0 1 287.403 3.605 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000689880404 1120352096 /nfs/dbraw/zinc/35/20/96/1120352096.db2.gz GNYACUJBCDKFAZ-LLVKDONJSA-N 0 1 271.763 3.617 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](CCF)C1 ZINC000689880404 1120352102 /nfs/dbraw/zinc/35/21/02/1120352102.db2.gz GNYACUJBCDKFAZ-LLVKDONJSA-N 0 1 271.763 3.617 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228172718 1121183933 /nfs/dbraw/zinc/18/39/33/1121183933.db2.gz XOXFXVWVMDAPGB-SMDDNHRTSA-N 0 1 265.784 3.810 20 10 CHCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)C(C)C ZINC000706647483 1121434929 /nfs/dbraw/zinc/43/49/29/1121434929.db2.gz WRWSFKGACBTHFI-NSHDSACASA-N 0 1 255.789 3.912 20 10 CHCDMN CCC[C@@H](CCO)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775512475 1122634993 /nfs/dbraw/zinc/63/49/93/1122634993.db2.gz LCWMVIJJNSLKJJ-WFASDCNBSA-N 0 1 299.842 3.885 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC2(CCC2)C1 ZINC000862245929 1123793939 /nfs/dbraw/zinc/79/39/39/1123793939.db2.gz BUNLUSWSJKGYKY-UHFFFAOYSA-N 0 1 296.208 3.531 20 10 CHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC2(CCC2)C1 ZINC000862245929 1123793942 /nfs/dbraw/zinc/79/39/42/1123793942.db2.gz BUNLUSWSJKGYKY-UHFFFAOYSA-N 0 1 296.208 3.531 20 10 CHCDMN C[C@@H]1C[NH+](Cc2c([O-])cccc2Cl)C[C@@H](C)C1(F)F ZINC000862444308 1123811383 /nfs/dbraw/zinc/81/13/83/1123811383.db2.gz VEGBPWOMORMMNN-NXEZZACHSA-N 0 1 289.753 3.769 20 10 CHCDMN COCC(C)(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000872105003 1124683623 /nfs/dbraw/zinc/68/36/23/1124683623.db2.gz XONAVMZLEMQINY-NSHDSACASA-N 0 1 285.815 3.759 20 10 CHCDMN COCC(C)(C)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000877803059 1125079817 /nfs/dbraw/zinc/07/98/17/1125079817.db2.gz CVYAAAIPNNTZRP-UHFFFAOYSA-N 0 1 285.815 3.506 20 10 CHCDMN CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1[O-] ZINC000834915689 1131733501 /nfs/dbraw/zinc/73/35/01/1131733501.db2.gz RXJOFPDZAWVASF-QKCSRTOESA-N 0 1 283.799 3.654 20 10 CHCDMN C[C@H]1CCCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461632 1131749272 /nfs/dbraw/zinc/74/92/72/1131749272.db2.gz OFVVENBTEZXYMC-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN C[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461632 1131749278 /nfs/dbraw/zinc/74/92/78/1131749278.db2.gz OFVVENBTEZXYMC-NSHDSACASA-N 0 1 253.773 3.668 20 10 CHCDMN CCC[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])OC ZINC000841758089 1125597542 /nfs/dbraw/zinc/59/75/42/1125597542.db2.gz RZMFTUYVUZGEIY-ZYHUDNBSSA-N 0 1 271.788 3.511 20 10 CHCDMN CC(C)Cc1ncc(CN(C)Cc2ccccc2O)s1 ZINC000091974758 1125756371 /nfs/dbraw/zinc/75/63/71/1125756371.db2.gz YFZBAQIDCSZJBS-UHFFFAOYSA-N 0 1 290.432 3.679 20 10 CHCDMN C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179682780 1126832179 /nfs/dbraw/zinc/83/21/79/1126832179.db2.gz SQAPYFVGHKTKOY-JTQLQIEISA-N 0 1 265.740 3.832 20 10 CHCDMN C[C@@H](C[N@@H+](C)Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000183252663 1126884170 /nfs/dbraw/zinc/88/41/70/1126884170.db2.gz UULWOYIJWNKPLK-JTQLQIEISA-N 0 1 296.823 3.738 20 10 CHCDMN CC(C)c1csc(CN[C@H](C)c2ccccc2O)n1 ZINC000183567486 1126888875 /nfs/dbraw/zinc/88/88/75/1126888875.db2.gz RXBBBAOHURNVMO-LLVKDONJSA-N 0 1 276.405 3.823 20 10 CHCDMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000183729066 1126891999 /nfs/dbraw/zinc/89/19/99/1126891999.db2.gz VFFRRASEFHKEEU-NSHDSACASA-N 0 1 276.767 3.634 20 10 CHCDMN CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1cc(Cl)ccc1[O-] ZINC000812735273 1130710115 /nfs/dbraw/zinc/71/01/15/1130710115.db2.gz ZFVPAQLPJGDAQP-GOEBONIOSA-N 0 1 297.826 3.901 20 10 CHCDMN CSC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000814178882 1130834896 /nfs/dbraw/zinc/83/48/96/1130834896.db2.gz HJSVNAUOPBITJK-LLVKDONJSA-N 0 1 285.840 3.621 20 10 CHCDMN CSC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000814178882 1130834903 /nfs/dbraw/zinc/83/49/03/1130834903.db2.gz HJSVNAUOPBITJK-LLVKDONJSA-N 0 1 285.840 3.621 20 10 CHCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(c3ccccc3)CC2)c1[O-] ZINC000267454019 1127000755 /nfs/dbraw/zinc/00/07/55/1127000755.db2.gz OIIYMVPTPNXUQM-UHFFFAOYSA-N 0 1 299.345 3.513 20 10 CHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)CC2)c(Cl)c1 ZINC001236797185 1131010074 /nfs/dbraw/zinc/01/00/74/1131010074.db2.gz CNXIONWOYULWCT-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)CC2)c(Cl)c1 ZINC001236797185 1131010076 /nfs/dbraw/zinc/01/00/76/1131010076.db2.gz CNXIONWOYULWCT-NSHDSACASA-N 0 1 283.799 3.676 20 10 CHCDMN CCCC[N@@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000913064192 1127120725 /nfs/dbraw/zinc/12/07/25/1127120725.db2.gz GQCZUQDYTJIVTN-UHFFFAOYSA-N 0 1 273.376 3.786 20 10 CHCDMN CCCC[N@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000913064192 1127120727 /nfs/dbraw/zinc/12/07/27/1127120727.db2.gz GQCZUQDYTJIVTN-UHFFFAOYSA-N 0 1 273.376 3.786 20 10 CHCDMN CCCC[N@@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000913064192 1127120730 /nfs/dbraw/zinc/12/07/30/1127120730.db2.gz GQCZUQDYTJIVTN-UHFFFAOYSA-N 0 1 273.376 3.786 20 10 CHCDMN Oc1ccc(F)c(Cl)c1C[N@@H+](CC1CC1)C1CC1 ZINC001237131162 1131054180 /nfs/dbraw/zinc/05/41/80/1131054180.db2.gz ULGWNWUSCGRBMN-UHFFFAOYSA-N 0 1 269.747 3.559 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+](CC1CC1)C1CC1 ZINC001237131162 1131054185 /nfs/dbraw/zinc/05/41/85/1131054185.db2.gz ULGWNWUSCGRBMN-UHFFFAOYSA-N 0 1 269.747 3.559 20 10 CHCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+](CC1CC1)C1CC1 ZINC001237131162 1131054193 /nfs/dbraw/zinc/05/41/93/1131054193.db2.gz ULGWNWUSCGRBMN-UHFFFAOYSA-N 0 1 269.747 3.559 20 10 CHCDMN C[C@]1(F)CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121161 1131056098 /nfs/dbraw/zinc/05/60/98/1131056098.db2.gz KLIURFUTRFTBBC-AWEZNQCLSA-N 0 1 289.753 3.899 20 10 CHCDMN C[C@]1(F)CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121161 1131056104 /nfs/dbraw/zinc/05/61/04/1131056104.db2.gz KLIURFUTRFTBBC-AWEZNQCLSA-N 0 1 289.753 3.899 20 10 CHCDMN Cc1cc(Cl)cc(CN2CC3(C2)CC(F)(F)C3)c1O ZINC001237680370 1131127257 /nfs/dbraw/zinc/12/72/57/1131127257.db2.gz AIEWGVCGHQJVNE-UHFFFAOYSA-N 0 1 287.737 3.585 20 10 CHCDMN C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000287045588 1127284310 /nfs/dbraw/zinc/28/43/10/1127284310.db2.gz 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1121774288 /nfs/dbraw/zinc/77/42/88/1121774288.db2.gz WRBFAVQINFZNOR-QGZVFWFLSA-N 0 1 299.418 3.776 20 10 CHCDMN CCCOc1ccc(CNCc2occc2C)cc1C ZINC001178841132 1121821299 /nfs/dbraw/zinc/82/12/99/1121821299.db2.gz ZAEBPATVNFGBLW-UHFFFAOYSA-N 0 1 273.376 3.975 20 10 CHCDMN C[C@H](CC1CCC1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000710274619 1121968608 /nfs/dbraw/zinc/96/86/08/1121968608.db2.gz DPZDDFWHLRCVDK-SNVBAGLBSA-N 0 1 298.224 3.823 20 10 CHCDMN C[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1(C)C ZINC001180673487 1122005266 /nfs/dbraw/zinc/00/52/66/1122005266.db2.gz OLAOFOVTMCWWLH-GFCCVEGCSA-N 0 1 296.405 3.899 20 10 CHCDMN CN(Cc1cc(F)cc(F)c1O)Cc1c(F)cccc1F ZINC001181944891 1122098893 /nfs/dbraw/zinc/09/88/93/1122098893.db2.gz FXUYMDHFHBKHBY-UHFFFAOYSA-N 0 1 299.267 3.581 20 10 CHCDMN c1ccc2c(c1)CN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204319039 1122112111 /nfs/dbraw/zinc/11/21/11/1122112111.db2.gz FEZOYFGLMPSOMC-UHFFFAOYSA-N 0 1 278.399 3.803 20 10 CHCDMN CC(C)C[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000272034706 1122188298 /nfs/dbraw/zinc/18/82/98/1122188298.db2.gz UYMQQNSWSKWSCK-CHWSQXEVSA-N 0 1 297.826 3.729 20 10 CHCDMN CCC[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])OCC ZINC001183065273 1122205039 /nfs/dbraw/zinc/20/50/39/1122205039.db2.gz JTOWMSNZHDOKEF-CYBMUJFWSA-N 0 1 285.815 3.649 20 10 CHCDMN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774623144 1122221041 /nfs/dbraw/zinc/22/10/41/1122221041.db2.gz ZFRNCQVXRZNZAU-BLLLJJGKSA-N 0 1 270.376 3.561 20 10 CHCDMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774623144 1122221044 /nfs/dbraw/zinc/22/10/44/1122221044.db2.gz ZFRNCQVXRZNZAU-BLLLJJGKSA-N 0 1 270.376 3.561 20 10 CHCDMN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774623160 1122221247 /nfs/dbraw/zinc/22/12/47/1122221247.db2.gz ZFRNCQVXRZNZAU-WBMJQRKESA-N 0 1 270.376 3.561 20 10 CHCDMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774623160 1122221250 /nfs/dbraw/zinc/22/12/50/1122221250.db2.gz ZFRNCQVXRZNZAU-WBMJQRKESA-N 0 1 270.376 3.561 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)cc1Cl ZINC001183822052 1122242252 /nfs/dbraw/zinc/24/22/52/1122242252.db2.gz AUGTUBVTEVLQDS-VMXABPDPSA-N 0 1 279.811 3.736 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001203650743 1122415451 /nfs/dbraw/zinc/41/54/51/1122415451.db2.gz AAHMYQIVTFAGFR-PHIMTYICSA-N 0 1 287.737 3.523 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001203650743 1122415455 /nfs/dbraw/zinc/41/54/55/1122415455.db2.gz AAHMYQIVTFAGFR-PHIMTYICSA-N 0 1 287.737 3.523 20 10 CHCDMN CN(C)Cc1cc(NCc2ccccc2O)ccc1Cl ZINC000282221264 1122424105 /nfs/dbraw/zinc/42/41/05/1122424105.db2.gz MSVUYHIVNJSXHA-UHFFFAOYSA-N 0 1 290.794 3.719 20 10 CHCDMN CC[C@H]([NH2+]Cc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000775482852 1122615817 /nfs/dbraw/zinc/61/58/17/1122615817.db2.gz DJPHNBVPMRHUKR-AWEZNQCLSA-N 0 1 276.767 3.682 20 10 CHCDMN CC[C@@H]([NH2+]CC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775499575 1122628143 /nfs/dbraw/zinc/62/81/43/1122628143.db2.gz JTTXUQFZLKFNTA-CQSZACIVSA-N 0 1 283.799 3.513 20 10 CHCDMN CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775507881 1122632058 /nfs/dbraw/zinc/63/20/58/1122632058.db2.gz OVXBOKSZZZUDPO-GXTWGEPZSA-N 0 1 299.842 3.883 20 10 CHCDMN CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775512058 1122633809 /nfs/dbraw/zinc/63/38/09/1122633809.db2.gz JVUDSRXNTLBBPB-DZGCQCFKSA-N 0 1 285.815 3.757 20 10 CHCDMN CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775514445 1122635492 /nfs/dbraw/zinc/63/54/92/1122635492.db2.gz VYIXVVXBXNGFON-JMSVASOKSA-N 0 1 297.826 3.901 20 10 CHCDMN CC[C@H]([NH2+]Cc1cccc(F)n1)c1cc(Cl)ccc1[O-] ZINC000775523249 1122638229 /nfs/dbraw/zinc/63/82/29/1122638229.db2.gz GSRAJKNFHCFNNZ-ZDUSSCGKSA-N 0 1 294.757 3.821 20 10 CHCDMN CC[C@H]([NH2+]Cc1cncc(C)c1)c1cc(Cl)ccc1[O-] ZINC000775526370 1122643638 /nfs/dbraw/zinc/64/36/38/1122643638.db2.gz RSAUMYUFLBFTMD-HNNXBMFYSA-N 0 1 290.794 3.990 20 10 CHCDMN CC[C@@H]([NH2+]CCOC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775533224 1122650023 /nfs/dbraw/zinc/65/00/23/1122650023.db2.gz FVYOGZOWANWWMG-CYBMUJFWSA-N 0 1 285.815 3.901 20 10 CHCDMN C[N@@H+](Cc1ccccc1F)Cc1cc(Cl)cc(F)c1[O-] ZINC000775642944 1122851058 /nfs/dbraw/zinc/85/10/58/1122851058.db2.gz QADFLZHNZDWXSL-UHFFFAOYSA-N 0 1 297.732 3.956 20 10 CHCDMN Cc1ccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC000775643134 1122851585 /nfs/dbraw/zinc/85/15/85/1122851585.db2.gz UGINDXHXCSXLGB-UHFFFAOYSA-N 0 1 275.779 3.986 20 10 CHCDMN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)C ZINC000775652754 1122868657 /nfs/dbraw/zinc/86/86/57/1122868657.db2.gz QYHWIDVOXYQOPZ-UHFFFAOYSA-N 0 1 259.752 3.663 20 10 CHCDMN CCC[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCCO1 ZINC000775680879 1122901118 /nfs/dbraw/zinc/90/11/18/1122901118.db2.gz KBENSJHVUBRJTE-AWEZNQCLSA-N 0 1 297.826 3.827 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000776174778 1123101654 /nfs/dbraw/zinc/10/16/54/1123101654.db2.gz GINKZSMIBGNGFR-CYBMUJFWSA-N 0 1 287.790 3.865 20 10 CHCDMN CCC1(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000776220420 1123155779 /nfs/dbraw/zinc/15/57/79/1123155779.db2.gz NEHGJBQLONXISN-UHFFFAOYSA-N 0 1 297.826 3.650 20 10 CHCDMN Cc1ccnc(NCc2ccccc2O)c1C1CC1 ZINC000850362663 1123257265 /nfs/dbraw/zinc/25/72/65/1123257265.db2.gz RJICMBVLKPLCRQ-UHFFFAOYSA-N 0 1 254.333 3.585 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]CCC(C)(C)F)c(Cl)c1 ZINC000850373672 1123259506 /nfs/dbraw/zinc/25/95/06/1123259506.db2.gz CGMFWQFJZLMOBB-UHFFFAOYSA-N 0 1 259.752 3.582 20 10 CHCDMN C[C@@]1(CC[NH2+]Cc2cc(Cl)ccc2[O-])CC1(F)F ZINC000850380116 1123260298 /nfs/dbraw/zinc/26/02/98/1123260298.db2.gz BQZGEEZFXBEEKA-GFCCVEGCSA-N 0 1 275.726 3.571 20 10 CHCDMN CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000850495264 1123275166 /nfs/dbraw/zinc/27/51/66/1123275166.db2.gz ZFHCHTHGKRBXLY-BXUZGUMPSA-N 0 1 297.826 3.901 20 10 CHCDMN Cc1ccncc1CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000850506334 1123276004 /nfs/dbraw/zinc/27/60/04/1123276004.db2.gz IYGIITASDCUEHU-GFCCVEGCSA-N 0 1 290.794 3.642 20 10 CHCDMN C[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cscn1 ZINC000850511485 1123278307 /nfs/dbraw/zinc/27/83/07/1123278307.db2.gz GELYEKZPUOCOAT-WCABBAIRSA-N 0 1 292.379 3.887 20 10 CHCDMN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000721827849 1123304319 /nfs/dbraw/zinc/30/43/19/1123304319.db2.gz PXHJBEQYHHKHRU-HIFRSBDPSA-N 0 1 297.826 3.729 20 10 CHCDMN CSC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000193805634 1129114455 /nfs/dbraw/zinc/11/44/55/1129114455.db2.gz KPGRHGMLGSQNIN-JTQLQIEISA-N 0 1 285.840 3.982 20 10 CHCDMN CC(C)N(Cc1cccc(Cl)c1O)CC(F)F ZINC000271813495 1129115685 /nfs/dbraw/zinc/11/56/85/1129115685.db2.gz MHQMDSFWFDYGKT-UHFFFAOYSA-N 0 1 263.715 3.521 20 10 CHCDMN C[C@@H](NCc1c(F)cc(F)c(F)c1F)c1ccccc1O ZINC000797585733 1123395395 /nfs/dbraw/zinc/39/53/95/1123395395.db2.gz MOBJRLDBTICJIJ-MRVPVSSYSA-N 0 1 299.267 3.799 20 10 CHCDMN C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1cc(F)ccc1[O-] ZINC000858538189 1123660981 /nfs/dbraw/zinc/66/09/81/1123660981.db2.gz SXYLUNMDFJIYIM-LSSIXWDNSA-N 0 1 263.356 3.618 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000691828613 1123694055 /nfs/dbraw/zinc/69/40/55/1123694055.db2.gz AOKYUNSZQLFIMI-CQSZACIVSA-N 0 1 295.810 3.627 20 10 CHCDMN Cc1nc(CN(Cc2ccccc2O)C2CCCC2)[nH]c1C ZINC000862242314 1123794472 /nfs/dbraw/zinc/79/44/72/1123794472.db2.gz CGTBOJXVBJWJCS-UHFFFAOYSA-N 0 1 299.418 3.677 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000862473138 1123812470 /nfs/dbraw/zinc/81/24/70/1123812470.db2.gz FYFXWWKGMKWQNQ-OLZOCXBDSA-N 0 1 297.851 3.824 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000862473138 1123812477 /nfs/dbraw/zinc/81/24/77/1123812477.db2.gz FYFXWWKGMKWQNQ-OLZOCXBDSA-N 0 1 297.851 3.824 20 10 CHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473488 1123812608 /nfs/dbraw/zinc/81/26/08/1123812608.db2.gz SFFYWWZOJHRQBF-NEPJUHHUSA-N 0 1 283.824 3.516 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccns2)cc1Cl ZINC000862539194 1123818228 /nfs/dbraw/zinc/81/82/28/1123818228.db2.gz JBSBBIKWVKDQLT-VIFPVBQESA-N 0 1 282.796 3.661 20 10 CHCDMN C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000840860253 1123861348 /nfs/dbraw/zinc/86/13/48/1123861348.db2.gz RHFJDUAXUNLQJU-FXPVBKGRSA-N 0 1 271.813 3.590 20 10 CHCDMN COc1c(C)ccc(NCc2ccc(F)c(F)c2O)c1C ZINC000864018510 1123909801 /nfs/dbraw/zinc/90/98/01/1123909801.db2.gz IKDCLCCWASLUGO-UHFFFAOYSA-N 0 1 293.313 3.908 20 10 CHCDMN C[C@H]1CC([NH2+]Cc2cc(Cl)ccc2[O-])C[C@H](C)C1 ZINC000084461687 1129153461 /nfs/dbraw/zinc/15/34/61/1129153461.db2.gz MXSNKLTUFNPRAN-GHMZBOCLSA-N 0 1 267.800 3.960 20 10 CHCDMN C[N@@H+](Cc1ccc2ncccc2c1)Cc1ccccc1O ZINC000120048567 1123929231 /nfs/dbraw/zinc/92/92/31/1123929231.db2.gz HQAZPMAZKAFMKA-UHFFFAOYSA-N 0 1 278.355 3.572 20 10 CHCDMN CN(Cc1ccccc1O)c1ccnc2cc(F)ccc21 ZINC000302689737 1123978563 /nfs/dbraw/zinc/97/85/63/1123978563.db2.gz ZFDZSYOVILTJGP-UHFFFAOYSA-N 0 1 282.318 3.716 20 10 CHCDMN Cc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000314717413 1123992889 /nfs/dbraw/zinc/99/28/89/1123992889.db2.gz DUFKKWATRJOUHL-HNNXBMFYSA-N 0 1 283.419 3.615 20 10 CHCDMN Cc1cc(O)c(CN[C@@H](CF)c2ccc(F)cc2)cc1C ZINC000865823082 1124017803 /nfs/dbraw/zinc/01/78/03/1124017803.db2.gz RLQFQXRDIKGYOL-INIZCTEOSA-N 0 1 291.341 3.949 20 10 CHCDMN CCc1onc(C)c1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000897336968 1124075116 /nfs/dbraw/zinc/07/51/16/1124075116.db2.gz SKALQTMGORBGNV-UHFFFAOYSA-N 0 1 296.370 3.694 20 10 CHCDMN CC[C@@H](NCc1ncc(C)s1)c1ccc(N(C)C)cc1 ZINC000122940320 1124544929 /nfs/dbraw/zinc/54/49/29/1124544929.db2.gz OZJHGGIHTPASOR-OAHLLOKOSA-N 0 1 289.448 3.758 20 10 CHCDMN C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(Cl)cc1[O-] ZINC000872108972 1124685431 /nfs/dbraw/zinc/68/54/31/1124685431.db2.gz ZORNIJYGFAYDPJ-NGOBNIPXSA-N 0 1 295.810 3.654 20 10 CHCDMN Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000872132356 1124691690 /nfs/dbraw/zinc/69/16/90/1124691690.db2.gz FFJWYZHNCOFLNA-GXSJLCMTSA-N 0 1 291.782 3.556 20 10 CHCDMN CCCOc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1C ZINC000873080200 1124736804 /nfs/dbraw/zinc/73/68/04/1124736804.db2.gz LEAPZMGLGPLSGI-INIZCTEOSA-N 0 1 299.418 3.674 20 10 CHCDMN C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876719948 1124973755 /nfs/dbraw/zinc/97/37/55/1124973755.db2.gz BORCJZQCCQYNKW-JTQLQIEISA-N 0 1 293.313 3.569 20 10 CHCDMN CCN(Cc1ccccc1O)Cc1cc(F)cc(F)c1F ZINC001137873705 1124980659 /nfs/dbraw/zinc/98/06/59/1124980659.db2.gz QMKRDSHCXMJNSG-UHFFFAOYSA-N 0 1 295.304 3.832 20 10 CHCDMN Cc1ccc(CNc2ccc(CN(C)C)c(F)c2)c(O)c1 ZINC000876868641 1124985130 /nfs/dbraw/zinc/98/51/30/1124985130.db2.gz HTENQOBFLUSCMB-UHFFFAOYSA-N 0 1 288.366 3.513 20 10 CHCDMN [O-]c1c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)ccc2ccccc21 ZINC000877703762 1125065289 /nfs/dbraw/zinc/06/52/89/1125065289.db2.gz SVVOAVLWCIATOS-CHWSQXEVSA-N 0 1 281.277 3.586 20 10 CHCDMN [O-]c1c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)ccc2ccccc21 ZINC000877806532 1125082921 /nfs/dbraw/zinc/08/29/21/1125082921.db2.gz PDKHIBIFTDXDPF-QILLFSRXSA-N 0 1 297.398 3.593 20 10 CHCDMN CO[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000878103461 1125120644 /nfs/dbraw/zinc/12/06/44/1125120644.db2.gz LHHOCUHOGJTETB-KDYLLFBJSA-N 0 1 289.419 3.562 20 10 CHCDMN CO[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000878103461 1125120646 /nfs/dbraw/zinc/12/06/46/1125120646.db2.gz LHHOCUHOGJTETB-KDYLLFBJSA-N 0 1 289.419 3.562 20 10 CHCDMN CO[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000878103461 1125120648 /nfs/dbraw/zinc/12/06/48/1125120648.db2.gz LHHOCUHOGJTETB-KDYLLFBJSA-N 0 1 289.419 3.562 20 10 CHCDMN C[C@@H]1CCCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000211522580 1125308779 /nfs/dbraw/zinc/30/87/79/1125308779.db2.gz UZNANUFAHAQZLK-LLVKDONJSA-N 0 1 298.224 3.919 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1[O-] ZINC000131355578 1125388193 /nfs/dbraw/zinc/38/81/93/1125388193.db2.gz CHADITSYWFMZRV-ZDUSSCGKSA-N 0 1 293.382 3.602 20 10 CHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1[O-] ZINC000131355578 1125388197 /nfs/dbraw/zinc/38/81/97/1125388197.db2.gz CHADITSYWFMZRV-ZDUSSCGKSA-N 0 1 293.382 3.602 20 10 CHCDMN C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(Cl)cc1[O-] ZINC000883357467 1125401352 /nfs/dbraw/zinc/40/13/52/1125401352.db2.gz LYMJEQPSAJQNRW-DGCLKSJQSA-N 0 1 295.810 3.798 20 10 CHCDMN Cc1ccc(O)c(CN[C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883383092 1125406559 /nfs/dbraw/zinc/40/65/59/1125406559.db2.gz SSXNJFOEZHXEHZ-WMZOPIPTSA-N 0 1 285.362 3.816 20 10 CHCDMN Oc1ccccc1CN[C@H]1c2ccccc2CC[C@@H]1F ZINC000883382435 1125406713 /nfs/dbraw/zinc/40/67/13/1125406713.db2.gz GXMQXJHCVYUVTP-RDJZCZTQSA-N 0 1 271.335 3.507 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)C(F)F)c1cccc(Cl)c1[O-] ZINC000883400130 1125409117 /nfs/dbraw/zinc/40/91/17/1125409117.db2.gz FHNFBLYEHJZYMD-XVKPBYJWSA-N 0 1 263.715 3.740 20 10 CHCDMN Cc1ncc([C@H](C)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000090406432 1129287516 /nfs/dbraw/zinc/28/75/16/1129287516.db2.gz ZIZLPENOHVMKEX-JTQLQIEISA-N 0 1 293.411 3.507 20 10 CHCDMN CC[C@H](C)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC001206605455 1129311545 /nfs/dbraw/zinc/31/15/45/1129311545.db2.gz QPZCDUIQUFXOAO-JTQLQIEISA-N 0 1 255.789 3.880 20 10 CHCDMN Cc1cccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000736945886 1129381878 /nfs/dbraw/zinc/38/18/78/1129381878.db2.gz UOMNEZLOMHYTEQ-UHFFFAOYSA-N 0 1 295.430 3.621 20 10 CHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC2(CCC2)CC1 ZINC000795717640 1129441685 /nfs/dbraw/zinc/44/16/85/1129441685.db2.gz KACNAEUXZKQTQV-UHFFFAOYSA-N 0 1 282.387 3.707 20 10 CHCDMN Cc1cc(O)c(CNc2nccn2-c2ccccc2)cc1C ZINC000795806080 1129447635 /nfs/dbraw/zinc/44/76/35/1129447635.db2.gz TZNBVVXAIZIJSN-UHFFFAOYSA-N 0 1 293.370 3.807 20 10 CHCDMN CCN(C)c1ccc(CN2CCc3sccc3C2)cc1 ZINC000741752667 1129451305 /nfs/dbraw/zinc/45/13/05/1129451305.db2.gz DRQMRKWAONQTHJ-UHFFFAOYSA-N 0 1 286.444 3.763 20 10 CHCDMN CC1=C(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000796018085 1129462693 /nfs/dbraw/zinc/46/26/93/1129462693.db2.gz MAJCVYXDAPPNKL-UHFFFAOYSA-N 0 1 269.747 3.727 20 10 CHCDMN CC1=C(C)C[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000796019436 1129462878 /nfs/dbraw/zinc/46/28/78/1129462878.db2.gz BDBNPZGUSCGOMM-UHFFFAOYSA-N 0 1 296.208 3.697 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000742154176 1129468454 /nfs/dbraw/zinc/46/84/54/1129468454.db2.gz FBUNGRJJXAUDBA-KGLIPLIRSA-N 0 1 284.403 3.951 20 10 CHCDMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000742154176 1129468455 /nfs/dbraw/zinc/46/84/55/1129468455.db2.gz FBUNGRJJXAUDBA-KGLIPLIRSA-N 0 1 284.403 3.951 20 10 CHCDMN CC(C)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000744437196 1129577320 /nfs/dbraw/zinc/57/73/20/1129577320.db2.gz KJDBPOJSWXARSO-AWEZNQCLSA-N 0 1 284.403 3.808 20 10 CHCDMN CC(C)C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000744437196 1129577323 /nfs/dbraw/zinc/57/73/23/1129577323.db2.gz KJDBPOJSWXARSO-AWEZNQCLSA-N 0 1 284.403 3.808 20 10 CHCDMN CC(C)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000744437196 1129577325 /nfs/dbraw/zinc/57/73/25/1129577325.db2.gz KJDBPOJSWXARSO-AWEZNQCLSA-N 0 1 284.403 3.808 20 10 CHCDMN CCN(CC)c1ccc(CN(C)Cc2ccc(C)cn2)cc1 ZINC000746296371 1129630439 /nfs/dbraw/zinc/63/04/39/1129630439.db2.gz KRTKIZXQEUPAFG-UHFFFAOYSA-N 0 1 297.446 3.868 20 10 CHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)c2cnccn2)cc1 ZINC000767299426 1129784736 /nfs/dbraw/zinc/78/47/36/1129784736.db2.gz PVBFHJABKJBDAS-OAHLLOKOSA-N 0 1 298.434 3.516 20 10 CHCDMN CCOc1ccc(C[N@H+]([C@@H](C)C(C)C)C2CC2)c([O-])c1 ZINC000768137180 1129834763 /nfs/dbraw/zinc/83/47/63/1129834763.db2.gz HHIQKHSAHHICKV-ZDUSSCGKSA-N 0 1 277.408 3.800 20 10 CHCDMN CCOc1ccc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)c([O-])c1 ZINC000768137180 1129834764 /nfs/dbraw/zinc/83/47/64/1129834764.db2.gz HHIQKHSAHHICKV-ZDUSSCGKSA-N 0 1 277.408 3.800 20 10 CHCDMN COCC[C@H]1CCCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768539738 1129861467 /nfs/dbraw/zinc/86/14/67/1129861467.db2.gz BROZZSDMSNSYMK-CYBMUJFWSA-N 0 1 297.826 3.684 20 10 CHCDMN COCC[C@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768539738 1129861471 /nfs/dbraw/zinc/86/14/71/1129861471.db2.gz BROZZSDMSNSYMK-CYBMUJFWSA-N 0 1 297.826 3.684 20 10 CHCDMN CCOc1ccc(C[N@H+]([C@H](C)C2CC2)C2CC2)c([O-])c1 ZINC000768533358 1129861814 /nfs/dbraw/zinc/86/18/14/1129861814.db2.gz VTWWXQNEIFEFCN-GFCCVEGCSA-N 0 1 275.392 3.554 20 10 CHCDMN CCOc1ccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c([O-])c1 ZINC000768533358 1129861819 /nfs/dbraw/zinc/86/18/19/1129861819.db2.gz VTWWXQNEIFEFCN-GFCCVEGCSA-N 0 1 275.392 3.554 20 10 CHCDMN CCOc1ccc(C[N@H+](CC)[C@H](C)C(C)C)c([O-])c1 ZINC000769155909 1129893666 /nfs/dbraw/zinc/89/36/66/1129893666.db2.gz ZTFYFZSRTYKAMK-CYBMUJFWSA-N 0 1 265.397 3.657 20 10 CHCDMN CCOc1ccc(C[N@@H+](CC)[C@H](C)C(C)C)c([O-])c1 ZINC000769155909 1129893673 /nfs/dbraw/zinc/89/36/73/1129893673.db2.gz ZTFYFZSRTYKAMK-CYBMUJFWSA-N 0 1 265.397 3.657 20 10 CHCDMN CC(C)[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000769550349 1129917176 /nfs/dbraw/zinc/91/71/76/1129917176.db2.gz RFLJBUDGTIYWKO-AWEZNQCLSA-N 0 1 285.840 3.619 20 10 CHCDMN CC(C)[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000769550349 1129917178 /nfs/dbraw/zinc/91/71/78/1129917178.db2.gz RFLJBUDGTIYWKO-AWEZNQCLSA-N 0 1 285.840 3.619 20 10 CHCDMN COc1ccsc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000769969144 1129932316 /nfs/dbraw/zinc/93/23/16/1129932316.db2.gz PJMMBEVAVRWWCJ-LLVKDONJSA-N 0 1 289.400 3.542 20 10 CHCDMN CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1[O-] ZINC000770505280 1129948050 /nfs/dbraw/zinc/94/80/50/1129948050.db2.gz NIEKWBKHMVGUBL-KRWDZBQOSA-N 0 1 269.388 3.845 20 10 CHCDMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000770505280 1129948054 /nfs/dbraw/zinc/94/80/54/1129948054.db2.gz NIEKWBKHMVGUBL-KRWDZBQOSA-N 0 1 269.388 3.845 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCSC1 ZINC000802657635 1130026409 /nfs/dbraw/zinc/02/64/09/1130026409.db2.gz MAWGOZNVAWDFTJ-CQSZACIVSA-N 0 1 279.449 3.747 20 10 CHCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCSC1 ZINC000802657635 1130026414 /nfs/dbraw/zinc/02/64/14/1130026414.db2.gz MAWGOZNVAWDFTJ-CQSZACIVSA-N 0 1 279.449 3.747 20 10 CHCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCSC1 ZINC000802657635 1130026419 /nfs/dbraw/zinc/02/64/19/1130026419.db2.gz MAWGOZNVAWDFTJ-CQSZACIVSA-N 0 1 279.449 3.747 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000786576305 1130108865 /nfs/dbraw/zinc/10/88/65/1130108865.db2.gz SPHMAHKYWDHOEG-CWSCBRNRSA-N 0 1 271.788 3.510 20 10 CHCDMN CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000786576309 1130108940 /nfs/dbraw/zinc/10/89/40/1130108940.db2.gz SPHMAHKYWDHOEG-KWBADKCTSA-N 0 1 271.788 3.510 20 10 CHCDMN CC[C@@H](C)C[N@H+](CC)Cc1c([O-])ccc2ccncc21 ZINC000748263750 1130226472 /nfs/dbraw/zinc/22/64/72/1130226472.db2.gz XRTNSLLPVJQQJD-CYBMUJFWSA-N 0 1 272.392 3.808 20 10 CHCDMN CC[C@@H](C)C[N@@H+](CC)Cc1c([O-])ccc2ccncc21 ZINC000748263750 1130226474 /nfs/dbraw/zinc/22/64/74/1130226474.db2.gz XRTNSLLPVJQQJD-CYBMUJFWSA-N 0 1 272.392 3.808 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccnc2ccccc12 ZINC000749111253 1130264185 /nfs/dbraw/zinc/26/41/85/1130264185.db2.gz ZVGXJGQKVZCUGK-UHFFFAOYSA-N 0 1 298.773 3.884 20 10 CHCDMN CC1(C)CC[N@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000789763636 1130275116 /nfs/dbraw/zinc/27/51/16/1130275116.db2.gz NPEXCABFUPYAAZ-UHFFFAOYSA-N 0 1 285.840 3.763 20 10 CHCDMN CC1(C)CC[N@@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000789763636 1130275121 /nfs/dbraw/zinc/27/51/21/1130275121.db2.gz NPEXCABFUPYAAZ-UHFFFAOYSA-N 0 1 285.840 3.763 20 10 CHCDMN CCn1ccc(C[N@@H+](C)Cc2c([O-])ccc(Cl)c2F)c1 ZINC000792181127 1130438363 /nfs/dbraw/zinc/43/83/63/1130438363.db2.gz OWHILJGKPHSUSC-UHFFFAOYSA-N 0 1 296.773 3.638 20 10 CHCDMN Cc1ccnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000792206588 1130439025 /nfs/dbraw/zinc/43/90/25/1130439025.db2.gz PGMQYTIGOUVALD-UHFFFAOYSA-N 0 1 295.430 3.621 20 10 CHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000793230927 1130531304 /nfs/dbraw/zinc/53/13/04/1130531304.db2.gz IVFFFVKFNKBJFA-KCJUWKMLSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000793230927 1130531306 /nfs/dbraw/zinc/53/13/06/1130531306.db2.gz IVFFFVKFNKBJFA-KCJUWKMLSA-N 0 1 293.716 3.818 20 10 CHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000793230927 1130531311 /nfs/dbraw/zinc/53/13/11/1130531311.db2.gz IVFFFVKFNKBJFA-KCJUWKMLSA-N 0 1 293.716 3.818 20 10 CHCDMN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CCC1 ZINC000793353595 1130543135 /nfs/dbraw/zinc/54/31/35/1130543135.db2.gz SIVJXNUAVUSOIS-UHFFFAOYSA-N 0 1 271.763 3.807 20 10 CHCDMN CC[C@]1(C)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000758398082 1130609506 /nfs/dbraw/zinc/60/95/06/1130609506.db2.gz TVYZJSQWNCUSGE-QGZVFWFLSA-N 0 1 270.376 3.562 20 10 CHCDMN CC[C@]1(C)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000758398082 1130609514 /nfs/dbraw/zinc/60/95/14/1130609514.db2.gz TVYZJSQWNCUSGE-QGZVFWFLSA-N 0 1 270.376 3.562 20 10 CHCDMN CC[C@]1(C)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000758398082 1130609519 /nfs/dbraw/zinc/60/95/19/1130609519.db2.gz TVYZJSQWNCUSGE-QGZVFWFLSA-N 0 1 270.376 3.562 20 10 CHCDMN CC(C)[N@H+](CCCO)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996693 1130700895 /nfs/dbraw/zinc/70/08/95/1130700895.db2.gz MNCIEXCGOWWGMH-UHFFFAOYSA-N 0 1 299.414 3.652 20 10 CHCDMN CC(C)[N@@H+](CCCO)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996693 1130700900 /nfs/dbraw/zinc/70/09/00/1130700900.db2.gz MNCIEXCGOWWGMH-UHFFFAOYSA-N 0 1 299.414 3.652 20 10 CHCDMN CC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000814178975 1130835282 /nfs/dbraw/zinc/83/52/82/1130835282.db2.gz LEWIDJDWILYUTM-SNVBAGLBSA-N 0 1 260.164 3.683 20 10 CHCDMN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2cscn2)c1 ZINC000697819208 1130863214 /nfs/dbraw/zinc/86/32/14/1130863214.db2.gz JQASNEUQQSTBMZ-GHMZBOCLSA-N 0 1 262.378 3.569 20 10 CHCDMN Cc1cc(CNC2(c3ccccc3F)CC2)ccc1N(C)C ZINC000815083622 1130956931 /nfs/dbraw/zinc/95/69/31/1130956931.db2.gz UTPNJKLOTDQGIC-UHFFFAOYSA-N 0 1 298.405 3.979 20 10 CHCDMN Cc1noc(C)c1[C@H](C)NCc1ccc(N(C)C)c(C)c1 ZINC000815083366 1130957701 /nfs/dbraw/zinc/95/77/01/1130957701.db2.gz OHNHNXLSTJRMDR-LBPRGKRZSA-N 0 1 287.407 3.517 20 10 CHCDMN CC1=C[C@@H](C)C[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000797416517 1130986292 /nfs/dbraw/zinc/98/62/92/1130986292.db2.gz ITQOSXZHHZFDLZ-CYBMUJFWSA-N 0 1 267.372 3.943 20 10 CHCDMN Cc1cccc(CNCc2c(F)cc(F)c(F)c2F)c1O ZINC000797605819 1130998476 /nfs/dbraw/zinc/99/84/76/1130998476.db2.gz WIUQUWLDCSDALM-UHFFFAOYSA-N 0 1 299.267 3.547 20 10 CHCDMN CCc1ccc(C[N@@H+](C)CCc2ccc(C)cc2)c(O)c1 ZINC001236794279 1131008323 /nfs/dbraw/zinc/00/83/23/1131008323.db2.gz KLKVUZUIKQQKMF-UHFFFAOYSA-N 0 1 283.415 3.938 20 10 CHCDMN CCc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c1 ZINC001236793983 1131008828 /nfs/dbraw/zinc/00/88/28/1131008828.db2.gz IQOZXSVVBPHDLR-CVEARBPZSA-N 0 1 273.420 3.967 20 10 CHCDMN CCc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c(O)c1 ZINC001236794771 1131009891 /nfs/dbraw/zinc/00/98/91/1131009891.db2.gz OIFUUZDKKMOROW-INIZCTEOSA-N 0 1 296.414 3.729 20 10 CHCDMN COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c([O-])c1Cl ZINC001236811073 1131012380 /nfs/dbraw/zinc/01/23/80/1131012380.db2.gz GJCHJVANPLLCGQ-GHMZBOCLSA-N 0 1 283.799 3.675 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1cc[nH]c(=O)c1 ZINC000815642677 1131015269 /nfs/dbraw/zinc/01/52/69/1131015269.db2.gz JNIFLKSUTSFHHO-NXEZZACHSA-N 0 1 292.766 3.558 20 10 CHCDMN CC(C)C1([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000815647276 1131017131 /nfs/dbraw/zinc/01/71/31/1131017131.db2.gz DWGLIVHEKHMWLI-JTQLQIEISA-N 0 1 253.773 3.885 20 10 CHCDMN Oc1cc2ccccc2cc1C[N@H+]1CCCC[C@H](F)C1 ZINC001236825706 1131017017 /nfs/dbraw/zinc/01/70/17/1131017017.db2.gz CRTBWMKXSKTFCU-INIZCTEOSA-N 0 1 273.351 3.869 20 10 CHCDMN CC(C)c1ccc(C[N@H+]2CC[C@](C)(CF)C2)c(O)c1 ZINC001237046654 1131039968 /nfs/dbraw/zinc/03/99/68/1131039968.db2.gz UWOCAHWFLVNMMI-MRXNPFEDSA-N 0 1 265.372 3.697 20 10 CHCDMN CC(C)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001237048836 1131041813 /nfs/dbraw/zinc/04/18/13/1131041813.db2.gz JDAAROFYTNYKOJ-CYBMUJFWSA-N 0 1 287.325 3.900 20 10 CHCDMN CC(C)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001237048840 1131041892 /nfs/dbraw/zinc/04/18/92/1131041892.db2.gz JDAAROFYTNYKOJ-ZDUSSCGKSA-N 0 1 287.325 3.900 20 10 CHCDMN C[C@H]1CCCC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122553 1131054659 /nfs/dbraw/zinc/05/46/59/1131054659.db2.gz VYZMQHQWXPIRQT-JTQLQIEISA-N 0 1 271.763 3.807 20 10 CHCDMN C[C@H]1CCCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122553 1131054664 /nfs/dbraw/zinc/05/46/64/1131054664.db2.gz VYZMQHQWXPIRQT-JTQLQIEISA-N 0 1 271.763 3.807 20 10 CHCDMN CC[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127404 1131055817 /nfs/dbraw/zinc/05/58/17/1131055817.db2.gz ZMFXMGSCJRGCCN-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN CC[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127404 1131055823 /nfs/dbraw/zinc/05/58/23/1131055823.db2.gz ZMFXMGSCJRGCCN-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN CC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127404 1131055830 /nfs/dbraw/zinc/05/58/30/1131055830.db2.gz ZMFXMGSCJRGCCN-SNVBAGLBSA-N 0 1 271.763 3.807 20 10 CHCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816485342 1131097587 /nfs/dbraw/zinc/09/75/87/1131097587.db2.gz JGAGWLAESYSWIW-SECBINFHSA-N 0 1 283.730 3.971 20 10 CHCDMN CCCN(Cc1cc(Cl)c(F)cc1O)CC(F)(F)F ZINC000816491993 1131100482 /nfs/dbraw/zinc/10/04/82/1131100482.db2.gz FPJTULLVCFYQJO-UHFFFAOYSA-N 0 1 299.695 3.959 20 10 CHCDMN CC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H](C)O1 ZINC000816496367 1131100954 /nfs/dbraw/zinc/10/09/54/1131100954.db2.gz GZKPJUVWAMGSKV-CZUORRHYSA-N 0 1 285.387 3.545 20 10 CHCDMN CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H](C)O1 ZINC000816496367 1131100957 /nfs/dbraw/zinc/10/09/57/1131100957.db2.gz GZKPJUVWAMGSKV-CZUORRHYSA-N 0 1 285.387 3.545 20 10 CHCDMN CC[N@@H+](CCC(F)(F)F)Cc1cc(Cl)c(F)cc1[O-] ZINC000816499233 1131101787 /nfs/dbraw/zinc/10/17/87/1131101787.db2.gz JJMMMUUTZYFSPP-UHFFFAOYSA-N 0 1 299.695 3.959 20 10 CHCDMN Cc1cccc(C[N@H+](C)Cc2ccc3ccccc3c2O)n1 ZINC000816514751 1131104257 /nfs/dbraw/zinc/10/42/57/1131104257.db2.gz GRFQRUVDNJSVDS-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN C[C@@H]1C[NH+](Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000816513510 1131104565 /nfs/dbraw/zinc/10/45/65/1131104565.db2.gz STNSIQLVADVBLA-CHWSQXEVSA-N 0 1 255.361 3.633 20 10 CHCDMN CN(C)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCC1 ZINC000816530802 1131105300 /nfs/dbraw/zinc/10/53/00/1131105300.db2.gz VHPPAVDRNHOXPQ-UHFFFAOYSA-N 0 1 298.430 3.509 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CCS1 ZINC000816591478 1131108497 /nfs/dbraw/zinc/10/84/97/1131108497.db2.gz GBJFMJMAATVXCP-CYBMUJFWSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CCS1 ZINC000816591478 1131108502 /nfs/dbraw/zinc/10/85/02/1131108502.db2.gz GBJFMJMAATVXCP-CYBMUJFWSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CCS1 ZINC000816591478 1131108504 /nfs/dbraw/zinc/10/85/04/1131108504.db2.gz GBJFMJMAATVXCP-CYBMUJFWSA-N 0 1 287.428 3.873 20 10 CHCDMN C[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816584970 1131108618 /nfs/dbraw/zinc/10/86/18/1131108618.db2.gz XWRMFUOHZNCXBV-DOMZBBRYSA-N 0 1 255.361 3.824 20 10 CHCDMN CS[C@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816554771 1131109426 /nfs/dbraw/zinc/10/94/26/1131109426.db2.gz IRVDMRNTNSRQAC-GJZGRUSLSA-N 0 1 287.428 3.919 20 10 CHCDMN CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816560172 1131111658 /nfs/dbraw/zinc/11/16/58/1131111658.db2.gz HAYDLNSLEJPZIY-FUHWJXTLSA-N 0 1 299.414 3.839 20 10 CHCDMN CC1(C)CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])O1 ZINC000816574678 1131112896 /nfs/dbraw/zinc/11/28/96/1131112896.db2.gz PGAQUMSJIJOGBP-HNNXBMFYSA-N 0 1 285.387 3.593 20 10 CHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](F)CC1 ZINC001237616522 1131118291 /nfs/dbraw/zinc/11/82/91/1131118291.db2.gz FSHUHPCIBPBAHS-NSHDSACASA-N 0 1 275.726 3.509 20 10 CHCDMN Oc1c(F)cc(Cl)cc1CN1CCCCC(F)(F)C1 ZINC001237619460 1131119661 /nfs/dbraw/zinc/11/96/61/1131119661.db2.gz OHBPGKLWEFBXAC-UHFFFAOYSA-N 0 1 293.716 3.806 20 10 CHCDMN Cc1cc(O)c(C[N@@H+](C)CC2CCC2)cc1Br ZINC001237679671 1131127044 /nfs/dbraw/zinc/12/70/44/1131127044.db2.gz UDXDJMIAXQMLPS-UHFFFAOYSA-N 0 1 298.224 3.695 20 10 CHCDMN Cc1cc(Cl)cc(CN2CCC[C@@](C)(F)C2)c1O ZINC001237681813 1131127296 /nfs/dbraw/zinc/12/72/96/1131127296.db2.gz SXMWVBGWTFZOLS-CQSZACIVSA-N 0 1 271.763 3.678 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001237800087 1131140379 /nfs/dbraw/zinc/14/03/79/1131140379.db2.gz WXONADXUXHBYTB-MRVPVSSYSA-N 0 1 293.716 3.662 20 10 CHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001237800088 1131141355 /nfs/dbraw/zinc/14/13/55/1131141355.db2.gz WXONADXUXHBYTB-QMMMGPOBSA-N 0 1 293.716 3.662 20 10 CHCDMN CCC(CC)[N@@H+](C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807011 1131142633 /nfs/dbraw/zinc/14/26/33/1131142633.db2.gz XXKWKYCNHSYWSY-UHFFFAOYSA-N 0 1 259.752 3.805 20 10 CHCDMN C[C@]1(F)CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804418 1131143043 /nfs/dbraw/zinc/14/30/43/1131143043.db2.gz DCEACEALJQEGHH-ZDUSSCGKSA-N 0 1 275.726 3.509 20 10 CHCDMN C[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804418 1131143059 /nfs/dbraw/zinc/14/30/59/1131143059.db2.gz DCEACEALJQEGHH-ZDUSSCGKSA-N 0 1 275.726 3.509 20 10 CHCDMN Oc1c(Cl)cc(F)cc1CN1CCC[C@H]1C(F)(F)F ZINC001237808138 1131143270 /nfs/dbraw/zinc/14/32/70/1131143270.db2.gz RJAMJAUORFSKJV-JTQLQIEISA-N 0 1 297.679 3.711 20 10 CHCDMN CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC001116482656 1131150373 /nfs/dbraw/zinc/15/03/73/1131150373.db2.gz KOVGQYIKXAHNDK-VXGBXAGGSA-N 0 1 285.840 3.762 20 10 CHCDMN Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC001238065825 1131167132 /nfs/dbraw/zinc/16/71/32/1131167132.db2.gz BJUHSKKXESYRQB-WFASDCNBSA-N 0 1 263.356 3.604 20 10 CHCDMN Cc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc(C)n1 ZINC000817590054 1131175302 /nfs/dbraw/zinc/17/53/02/1131175302.db2.gz SQUAZGXRACWDQZ-GFCCVEGCSA-N 0 1 290.794 3.908 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001137837557 1131420950 /nfs/dbraw/zinc/42/09/50/1131420950.db2.gz LTDFHWKCKLGNPX-OAHLLOKOSA-N 0 1 285.362 3.911 20 10 CHCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001137838831 1131421401 /nfs/dbraw/zinc/42/14/01/1131421401.db2.gz LFSBCUXPEVVEKP-IUODEOHRSA-N 0 1 263.356 3.686 20 10 CHCDMN C[C@@H]1C[C@H](F)CN1Cc1ccc(N2CCCCC2)cc1 ZINC001138215734 1131477926 /nfs/dbraw/zinc/47/79/26/1131477926.db2.gz RRPHEELARQYUCR-ZBFHGGJFSA-N 0 1 276.399 3.609 20 10 CHCDMN Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000824709899 1131479756 /nfs/dbraw/zinc/47/97/56/1131479756.db2.gz QKJJPWVRAJGZCU-CYBMUJFWSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000824709899 1131479762 /nfs/dbraw/zinc/47/97/62/1131479762.db2.gz QKJJPWVRAJGZCU-CYBMUJFWSA-N 0 1 296.208 3.529 20 10 CHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000824709899 1131479764 /nfs/dbraw/zinc/47/97/64/1131479764.db2.gz QKJJPWVRAJGZCU-CYBMUJFWSA-N 0 1 296.208 3.529 20 10 CHCDMN CC(C)[C@H]1C[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000824799621 1131484791 /nfs/dbraw/zinc/48/47/91/1131484791.db2.gz PEKNGWUQPGICPG-BLLLJJGKSA-N 0 1 297.826 3.586 20 10 CHCDMN CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824783207 1131485815 /nfs/dbraw/zinc/48/58/15/1131485815.db2.gz HNIQYFCKGQPKNV-DOMZBBRYSA-N 0 1 255.361 3.681 20 10 CHCDMN CO[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC1(C)C ZINC000824820230 1131485829 /nfs/dbraw/zinc/48/58/29/1131485829.db2.gz BPBDHOKDKDZLOJ-KRWDZBQOSA-N 0 1 299.414 3.792 20 10 CHCDMN CO[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1(C)C ZINC000824820230 1131485831 /nfs/dbraw/zinc/48/58/31/1131485831.db2.gz BPBDHOKDKDZLOJ-KRWDZBQOSA-N 0 1 299.414 3.792 20 10 CHCDMN CN1CCCc2cc(CN3Cc4ccccc4C3)ccc21 ZINC001138354215 1131494245 /nfs/dbraw/zinc/49/42/45/1131494245.db2.gz BBJDVENRYSZYOT-UHFFFAOYSA-N 0 1 278.399 3.585 20 10 CHCDMN CCN(Cc1ccccc1O)Cc1c(F)cccc1OC ZINC001138386946 1131496900 /nfs/dbraw/zinc/49/69/00/1131496900.db2.gz RLKZFVLFLWZRKC-UHFFFAOYSA-N 0 1 289.350 3.562 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215277 1131502204 /nfs/dbraw/zinc/50/22/04/1131502204.db2.gz KSPJWEKQMVIGLW-HNNXBMFYSA-N 0 1 297.851 3.765 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215277 1131502210 /nfs/dbraw/zinc/50/22/10/1131502210.db2.gz KSPJWEKQMVIGLW-HNNXBMFYSA-N 0 1 297.851 3.765 20 10 CHCDMN Cc1csc([C@@H](C)NCc2cc(Cl)c(C)cc2O)n1 ZINC000825197326 1131503500 /nfs/dbraw/zinc/50/35/00/1131503500.db2.gz KNCADRUDBYQMKI-SNVBAGLBSA-N 0 1 296.823 3.970 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1Cl ZINC000825450498 1131511932 /nfs/dbraw/zinc/51/19/32/1131511932.db2.gz HOFFDIQYYDMGKV-LBPRGKRZSA-N 0 1 290.794 3.942 20 10 CHCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)c2ccccn2)cc1Cl ZINC000825450498 1131511936 /nfs/dbraw/zinc/51/19/36/1131511936.db2.gz HOFFDIQYYDMGKV-LBPRGKRZSA-N 0 1 290.794 3.942 20 10 CHCDMN Cc1c(F)cc(F)cc1C[N@@H+](C)Cc1ccccc1O ZINC001143767748 1131530504 /nfs/dbraw/zinc/53/05/04/1131530504.db2.gz KKBLQZOXEXTOCY-UHFFFAOYSA-N 0 1 277.314 3.611 20 10 CHCDMN CCc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001144326601 1131618792 /nfs/dbraw/zinc/61/87/92/1131618792.db2.gz IKAKUSJTXYMAHH-UHFFFAOYSA-N 0 1 267.372 3.513 20 10 CHCDMN Cc1cccc2c1CC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139685872 1131628764 /nfs/dbraw/zinc/62/87/64/1131628764.db2.gz ZMZFPKFYKIRCMB-UHFFFAOYSA-N 0 1 289.325 3.537 20 10 CHCDMN C[N@@H+](Cc1ccccc1O)Cc1ccccc1C(F)F ZINC001139799992 1131637739 /nfs/dbraw/zinc/63/77/39/1131637739.db2.gz BTXUUQYIBORRCM-UHFFFAOYSA-N 0 1 277.314 3.962 20 10 CHCDMN C[N@@H+](Cc1cc(F)ccc1O)Cc1cccc2cccnc21 ZINC001140055055 1131660226 /nfs/dbraw/zinc/66/02/26/1131660226.db2.gz GCZNBMZTDHLEKI-UHFFFAOYSA-N 0 1 296.345 3.712 20 10 CHCDMN Cc1cc(F)c(CN[C@@H](C)c2ccccc2O)c(F)c1 ZINC000845989366 1131674439 /nfs/dbraw/zinc/67/44/39/1131674439.db2.gz GPJJUCVHSFVRKY-NSHDSACASA-N 0 1 277.314 3.830 20 10 CHCDMN CC(C)c1csc(CN[C@@H]2CCc3cccc(O)c32)n1 ZINC000834624877 1131688481 /nfs/dbraw/zinc/68/84/81/1131688481.db2.gz RDSSUCUOOPWGEJ-GFCCVEGCSA-N 0 1 288.416 3.749 20 10 CHCDMN COc1cccc([C@H](C)Nc2cc3c(cn2)CCCC3)c1O ZINC000846172638 1131693911 /nfs/dbraw/zinc/69/39/11/1131693911.db2.gz ZPZOLGNGFATDKN-LBPRGKRZSA-N 0 1 298.386 3.848 20 10 CHCDMN CC[C@H]([NH2+]CCC1(CO)CCC1)c1cc(Cl)ccc1[O-] ZINC000846209196 1131695940 /nfs/dbraw/zinc/69/59/40/1131695940.db2.gz BTFDMZAPKWCCRN-AWEZNQCLSA-N 0 1 297.826 3.639 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001140338114 1131702505 /nfs/dbraw/zinc/70/25/05/1131702505.db2.gz VRIICMFNYKICFY-GFCCVEGCSA-N 0 1 293.716 3.615 20 10 CHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001140338114 1131702509 /nfs/dbraw/zinc/70/25/09/1131702509.db2.gz VRIICMFNYKICFY-GFCCVEGCSA-N 0 1 293.716 3.615 20 10 CHCDMN C[C@@]1(F)CCCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337872 1131702378 /nfs/dbraw/zinc/70/23/78/1131702378.db2.gz KFWGHIWJZVTFPP-CQSZACIVSA-N 0 1 271.763 3.760 20 10 CHCDMN C[C@@]1(F)CCCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337872 1131702379 /nfs/dbraw/zinc/70/23/79/1131702379.db2.gz KFWGHIWJZVTFPP-CQSZACIVSA-N 0 1 271.763 3.760 20 10 CHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CC1(C)C ZINC001140341581 1131703146 /nfs/dbraw/zinc/70/31/46/1131703146.db2.gz XHILSCMVDPYOPX-JTQLQIEISA-N 0 1 253.773 3.524 20 10 CHCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CC1(C)C ZINC001140341581 1131703148 /nfs/dbraw/zinc/70/31/48/1131703148.db2.gz XHILSCMVDPYOPX-JTQLQIEISA-N 0 1 253.773 3.524 20 10 CHCDMN Oc1cccc2c1[C@H](NCc1c(F)cc(F)cc1F)CC2 ZINC000834810316 1131706528 /nfs/dbraw/zinc/70/65/28/1131706528.db2.gz BQMQEXPHEPYTAP-CQSZACIVSA-N 0 1 293.288 3.587 20 10 CHCDMN Cc1ccc([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)c(O)c1C ZINC000834896494 1131722333 /nfs/dbraw/zinc/72/23/33/1131722333.db2.gz WRWXYOVYEQFNDR-ZLDLUXBVSA-N 0 1 285.391 3.562 20 10 CHCDMN CCc1ncc(CN[C@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000834900911 1131725679 /nfs/dbraw/zinc/72/56/79/1131725679.db2.gz TVFOOUWLTPOSEZ-SNVBAGLBSA-N 0 1 294.782 3.755 20 10 CHCDMN CCc1ncc(CN[C@@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000834901097 1131726129 /nfs/dbraw/zinc/72/61/29/1131726129.db2.gz WUJARTRKRRJUKF-INIZCTEOSA-N 0 1 287.407 3.544 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001140461605 1131746981 /nfs/dbraw/zinc/74/69/81/1131746981.db2.gz NGSVXDAQWLWZBS-UHFFFAOYSA-N 0 1 275.726 3.667 20 10 CHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC001140461605 1131746986 /nfs/dbraw/zinc/74/69/86/1131746986.db2.gz NGSVXDAQWLWZBS-UHFFFAOYSA-N 0 1 275.726 3.667 20 10 CHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCC1CC(F)(F)C1 ZINC000835060014 1131767011 /nfs/dbraw/zinc/76/70/11/1131767011.db2.gz GKDFJAMSZCGQIE-UHFFFAOYSA-N 0 1 275.726 3.571 20 10 CHCDMN Cc1ccc([C@@H](C)N[C@H](C)c2c(F)cncc2F)c(O)c1 ZINC000797128374 1131796874 /nfs/dbraw/zinc/79/68/74/1131796874.db2.gz RGBCGKXAMSIIKW-GHMZBOCLSA-N 0 1 292.329 3.786 20 10 CHCDMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140579810 1131805266 /nfs/dbraw/zinc/80/52/66/1131805266.db2.gz HWTVGVQGCGRYTG-UHFFFAOYSA-N 0 1 277.314 3.693 20 10 CHCDMN CCC[N@H+](Cc1c([O-])cc(F)cc1F)CC(C)C ZINC001140585702 1131811491 /nfs/dbraw/zinc/81/14/91/1131811491.db2.gz RHIHOHUWXILMQD-UHFFFAOYSA-N 0 1 257.324 3.538 20 10 CHCDMN Cc1ccc(CN2CCc3cccc(O)c3C2)cc1Cl ZINC001231424357 1132292365 /nfs/dbraw/zinc/29/23/65/1132292365.db2.gz RSZXSFGPXCXUEL-UHFFFAOYSA-N 0 1 287.790 3.912 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)c2nccs2)c(Cl)c1 ZINC000840938929 1132310081 /nfs/dbraw/zinc/31/00/81/1132310081.db2.gz IMMJKKKAWLGGPX-SNVBAGLBSA-N 0 1 296.823 3.704 20 10 CHCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCC[C@@]1(C)O ZINC001231586953 1132316985 /nfs/dbraw/zinc/31/69/85/1132316985.db2.gz NTLNOTIRAQHSDX-AUUYWEPGSA-N 0 1 299.414 3.528 20 10 CHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCC[C@@]1(C)O ZINC001231586953 1132316994 /nfs/dbraw/zinc/31/69/94/1132316994.db2.gz NTLNOTIRAQHSDX-AUUYWEPGSA-N 0 1 299.414 3.528 20 10 CHCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](F)CC2)cc1Cl ZINC001231868658 1132383597 /nfs/dbraw/zinc/38/35/97/1132383597.db2.gz VXIXPTNGMULSBJ-GFCCVEGCSA-N 0 1 271.763 3.678 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](F)CC2)cc1Cl ZINC001231868658 1132383605 /nfs/dbraw/zinc/38/36/05/1132383605.db2.gz VXIXPTNGMULSBJ-GFCCVEGCSA-N 0 1 271.763 3.678 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](F)CC2)cc1Cl ZINC001231868658 1132383613 /nfs/dbraw/zinc/38/36/13/1132383613.db2.gz VXIXPTNGMULSBJ-GFCCVEGCSA-N 0 1 271.763 3.678 20 10 CHCDMN CCCOC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001231870576 1132383715 /nfs/dbraw/zinc/38/37/15/1132383715.db2.gz KDSPDVICYRWRJL-UHFFFAOYSA-N 0 1 297.826 3.745 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc1Cl ZINC001231871113 1132384757 /nfs/dbraw/zinc/38/47/57/1132384757.db2.gz YKNOIQRRYBBWSE-ZYHUDNBSSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2C)cc1Cl ZINC001231871113 1132384764 /nfs/dbraw/zinc/38/47/64/1132384764.db2.gz YKNOIQRRYBBWSE-ZYHUDNBSSA-N 0 1 267.800 3.974 20 10 CHCDMN Cc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841745244 1132387893 /nfs/dbraw/zinc/38/78/93/1132387893.db2.gz OWEARXXEUSOGSS-LLVKDONJSA-N 0 1 276.767 3.600 20 10 CHCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000841743132 1132388665 /nfs/dbraw/zinc/38/86/65/1132388665.db2.gz CTYYDKACWIMJOF-GHMZBOCLSA-N 0 1 276.767 3.852 20 10 CHCDMN C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841751192 1132388854 /nfs/dbraw/zinc/38/88/54/1132388854.db2.gz MILRQXZGGSHEHP-NHYWBVRUSA-N 0 1 297.826 3.637 20 10 CHCDMN Cc1ncccc1C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC001231882380 1132389824 /nfs/dbraw/zinc/38/98/24/1132389824.db2.gz JHNKUSOWMLSVGX-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN Cc1ncccc1C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC001231882380 1132389832 /nfs/dbraw/zinc/38/98/32/1132389832.db2.gz JHNKUSOWMLSVGX-UHFFFAOYSA-N 0 1 292.382 3.881 20 10 CHCDMN C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841746420 1132390017 /nfs/dbraw/zinc/39/00/17/1132390017.db2.gz GOXLRKGQCAAZNH-ZBEGNZNMSA-N 0 1 297.826 3.637 20 10 CHCDMN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1nccs1 ZINC000841751606 1132390432 /nfs/dbraw/zinc/39/04/32/1132390432.db2.gz IFJHOUFAEYDTQL-ZJUUUORDSA-N 0 1 296.823 3.956 20 10 CHCDMN C[C@H]([NH2+]CCOCC1CCC1)c1ccc(Cl)cc1[O-] ZINC000841751200 1132390903 /nfs/dbraw/zinc/39/09/03/1132390903.db2.gz FTVLCGMPCMHEIR-NSHDSACASA-N 0 1 283.799 3.513 20 10 CHCDMN CO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC001231884012 1132391340 /nfs/dbraw/zinc/39/13/40/1132391340.db2.gz UGSCSKHXFNDNBV-CZUORRHYSA-N 0 1 285.387 3.545 20 10 CHCDMN CO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC001231884012 1132391348 /nfs/dbraw/zinc/39/13/48/1132391348.db2.gz UGSCSKHXFNDNBV-CZUORRHYSA-N 0 1 285.387 3.545 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccc[nH]1 ZINC000841753300 1132392242 /nfs/dbraw/zinc/39/22/42/1132392242.db2.gz YRCKOFKCFQTDQN-VHSXEESVSA-N 0 1 264.756 3.786 20 10 CHCDMN C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(Cl)cc1[O-] ZINC000841759242 1132395087 /nfs/dbraw/zinc/39/50/87/1132395087.db2.gz XSDTWPFEIRBTOC-GBIKHYSHSA-N 0 1 291.782 3.599 20 10 CHCDMN CCc1nc(CN[C@@H](C)c2ccc(Cl)cc2O)cs1 ZINC000841762766 1132397143 /nfs/dbraw/zinc/39/71/43/1132397143.db2.gz KAHGHEFFTPKDCH-VIFPVBQESA-N 0 1 296.823 3.915 20 10 CHCDMN Cc1cc([O-])c(C[NH2+]C(C)(C)C2CCOCC2)c(Cl)c1 ZINC000842207794 1132414721 /nfs/dbraw/zinc/41/47/21/1132414721.db2.gz RAQJQFRVIBEMHJ-UHFFFAOYSA-N 0 1 297.826 3.649 20 10 CHCDMN C[C@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)c(O)cc2[O-])CC1 ZINC001232266484 1132447262 /nfs/dbraw/zinc/44/72/62/1132447262.db2.gz UZVKYYMLBPUMQN-UMSPYCQHSA-N 0 1 283.799 3.762 20 10 CHCDMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(O)cc2[O-])CC1 ZINC001232266484 1132447266 /nfs/dbraw/zinc/44/72/66/1132447266.db2.gz UZVKYYMLBPUMQN-UMSPYCQHSA-N 0 1 283.799 3.762 20 10 CHCDMN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c([O-])cccc1Cl ZINC000131842641 1132573405 /nfs/dbraw/zinc/57/34/05/1132573405.db2.gz XCRSLXNLSXSLSQ-GHMZBOCLSA-N 0 1 253.773 3.809 20 10 CHCDMN CC(=O)[C@H]1CCCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233286950 1132594428 /nfs/dbraw/zinc/59/44/28/1132594428.db2.gz PUVOHDMOUSXGNA-MRXNPFEDSA-N 0 1 289.419 3.633 20 10 CHCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC2(C1)CCCCC2 ZINC001233336312 1132604296 /nfs/dbraw/zinc/60/42/96/1132604296.db2.gz HNOXFQBYKLYCJV-UHFFFAOYSA-N 0 1 281.346 3.827 20 10 CHCDMN CCC[N@@H+](Cc1c([O-])ccc(F)c1F)[C@@H](C)CC ZINC001233331600 1132605156 /nfs/dbraw/zinc/60/51/56/1132605156.db2.gz CSUMGBJUPPLCDC-JTQLQIEISA-N 0 1 257.324 3.681 20 10 CHCDMN C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726504 1132670565 /nfs/dbraw/zinc/67/05/65/1132670565.db2.gz FBHHCFZJVBQDNE-SNVBAGLBSA-N 0 1 289.297 3.523 20 10 CHCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726504 1132670568 /nfs/dbraw/zinc/67/05/68/1132670568.db2.gz FBHHCFZJVBQDNE-SNVBAGLBSA-N 0 1 289.297 3.523 20 10 CHCDMN CC[C@H](C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233736529 1132672088 /nfs/dbraw/zinc/67/20/88/1132672088.db2.gz MFHJILISNMJJRC-VIFPVBQESA-N 0 1 277.286 3.521 20 10 CHCDMN CC[C@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233736529 1132672092 /nfs/dbraw/zinc/67/20/92/1132672092.db2.gz MFHJILISNMJJRC-VIFPVBQESA-N 0 1 277.286 3.521 20 10 CHCDMN C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C(C)(C)C ZINC001233755178 1132675588 /nfs/dbraw/zinc/67/55/88/1132675588.db2.gz RFZGPELRYLBVLV-UHFFFAOYSA-N 0 1 277.286 3.521 20 10 CHCDMN C[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C(C)(C)C ZINC001233755178 1132675591 /nfs/dbraw/zinc/67/55/91/1132675591.db2.gz RFZGPELRYLBVLV-UHFFFAOYSA-N 0 1 277.286 3.521 20 10 CHCDMN c1n[nH]c2cccc(Nc3ccc4c(c3)CCCN4)c12 ZINC001159574861 1132865838 /nfs/dbraw/zinc/86/58/38/1132865838.db2.gz ZEDXNRNAQDEXBD-UHFFFAOYSA-N 0 1 264.332 3.665 20 10 CHCDMN C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)[C@H]1C ZINC000252125974 1133185382 /nfs/dbraw/zinc/18/53/82/1133185382.db2.gz KBABVAXFGHJEAR-QWRGUYRKSA-N 0 1 253.773 3.666 20 10 CHCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)[C@H]1C ZINC000252125974 1133185388 /nfs/dbraw/zinc/18/53/88/1133185388.db2.gz KBABVAXFGHJEAR-QWRGUYRKSA-N 0 1 253.773 3.666 20 10 CHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCC23CC3)c(Cl)c1 ZINC001203331482 1133316340 /nfs/dbraw/zinc/31/63/40/1133316340.db2.gz AMLODTPAEXCYBQ-CQSZACIVSA-N 0 1 265.784 3.776 20 10 CHCDMN Oc1ccc(Br)cc1C[N@H+]1CCCCC12CC2 ZINC001203645800 1133346748 /nfs/dbraw/zinc/34/67/48/1133346748.db2.gz SRBKGFAFHREJFS-UHFFFAOYSA-N 0 1 296.208 3.673 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCCCC12CC2 ZINC001203645800 1133346755 /nfs/dbraw/zinc/34/67/55/1133346755.db2.gz SRBKGFAFHREJFS-UHFFFAOYSA-N 0 1 296.208 3.673 20 10 CHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCCCC12CC2 ZINC001203645800 1133346760 /nfs/dbraw/zinc/34/67/60/1133346760.db2.gz SRBKGFAFHREJFS-UHFFFAOYSA-N 0 1 296.208 3.673 20 10 CHCDMN CCN(CC)c1ccc(CN2CCC[C@@](C)(F)C2)cc1 ZINC001203940585 1133385930 /nfs/dbraw/zinc/38/59/30/1133385930.db2.gz QNHDWWCTYZIUHG-QGZVFWFLSA-N 0 1 278.415 3.857 20 10 CHCDMN CCN(Cc1ccccc1O)Cc1cc(F)ccc1F ZINC001204220329 1133421356 /nfs/dbraw/zinc/42/13/56/1133421356.db2.gz LLXQSBMUYLFFQH-UHFFFAOYSA-N 0 1 277.314 3.693 20 10 CHCDMN c1cc2c(s1)CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204327816 1133437763 /nfs/dbraw/zinc/43/77/63/1133437763.db2.gz JHHSMFPUZQLQHL-UHFFFAOYSA-N 0 1 298.455 3.907 20 10 CHCDMN c1cc2c(s1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204327816 1133437769 /nfs/dbraw/zinc/43/77/69/1133437769.db2.gz JHHSMFPUZQLQHL-UHFFFAOYSA-N 0 1 298.455 3.907 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1Cl ZINC001204767749 1133482822 /nfs/dbraw/zinc/48/28/22/1133482822.db2.gz CZGYVMYJJIUFOG-GHMZBOCLSA-N 0 1 285.840 3.680 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCS[C@H](C)[C@H]2C)cc1Cl ZINC001204767749 1133482829 /nfs/dbraw/zinc/48/28/29/1133482829.db2.gz CZGYVMYJJIUFOG-GHMZBOCLSA-N 0 1 285.840 3.680 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1Cl ZINC001204767749 1133482832 /nfs/dbraw/zinc/48/28/32/1133482832.db2.gz CZGYVMYJJIUFOG-GHMZBOCLSA-N 0 1 285.840 3.680 20 10 CHCDMN Cc1cc(O)c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1Cl ZINC001204767752 1133483472 /nfs/dbraw/zinc/48/34/72/1133483472.db2.gz CZGYVMYJJIUFOG-WDEREUQCSA-N 0 1 285.840 3.680 20 10 CHCDMN Cc1cc([O-])c(C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1Cl ZINC001204767752 1133483474 /nfs/dbraw/zinc/48/34/74/1133483474.db2.gz CZGYVMYJJIUFOG-WDEREUQCSA-N 0 1 285.840 3.680 20 10 CHCDMN Cc1cc([O-])c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1Cl ZINC001204767752 1133483475 /nfs/dbraw/zinc/48/34/75/1133483475.db2.gz CZGYVMYJJIUFOG-WDEREUQCSA-N 0 1 285.840 3.680 20 10 CHCDMN [O-]c1c(C[N@H+]2CCCC3(CCCC3)C2)ccc(F)c1F ZINC001205442431 1133578085 /nfs/dbraw/zinc/57/80/85/1133578085.db2.gz KJCWEFUGQZFNMD-UHFFFAOYSA-N 0 1 281.346 3.827 20 10 CHCDMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001206342870 1133692936 /nfs/dbraw/zinc/69/29/36/1133692936.db2.gz MRHLZOWJTJKEBH-KXUCPTDWSA-N 0 1 271.763 3.661 20 10 CHCDMN Cc1ccc(Nc2cncn2C)c(C(=O)c2ccccc2)c1 ZINC001211252677 1134399542 /nfs/dbraw/zinc/39/95/42/1134399542.db2.gz UHRDSOUNIGMHIO-UHFFFAOYSA-N 0 1 291.354 3.703 20 10 CHCDMN Nc1ccc(Nc2ccc(Cl)c(O)c2F)cc1 ZINC001214801164 1134574672 /nfs/dbraw/zinc/57/46/72/1134574672.db2.gz BLINEWHBENWUIS-UHFFFAOYSA-N 0 1 252.676 3.511 20 10 CHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000184882961 262032223 /nfs/dbraw/zinc/03/22/23/262032223.db2.gz ZQOOGRWAMSNWJC-MNOVXSKESA-N 0 1 276.767 3.852 20 10 CHCDMN COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000184884029 262032703 /nfs/dbraw/zinc/03/27/03/262032703.db2.gz GAXGKLWVKNRMLU-NSHDSACASA-N 0 1 291.778 3.905 20 10 CHCDMN Cc1noc(C)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185136231 262043404 /nfs/dbraw/zinc/04/34/04/262043404.db2.gz LNVCWIXMJXFALW-QMMMGPOBSA-N 0 1 280.755 3.501 20 10 CHCDMN C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186519388 262096378 /nfs/dbraw/zinc/09/63/78/262096378.db2.gz QSZKQLBNYLOJNH-CSDYLXSXSA-N 0 1 285.387 3.523 20 10 CHCDMN COC[C@@H](N[C@H](C)c1cc(C)ccc1O)c1ccc(C)o1 ZINC000185630236 327841743 /nfs/dbraw/zinc/84/17/43/327841743.db2.gz XAZXRGUITUJXOT-UKRRQHHQSA-N 0 1 289.375 3.640 20 10 CHCDMN CC(C)Cn1cc(N[C@H](C)c2ccc(F)c(F)c2O)cn1 ZINC000276939556 328220512 /nfs/dbraw/zinc/22/05/12/328220512.db2.gz PGTZXDRADLYWHK-SNVBAGLBSA-N 0 1 295.333 3.696 20 10 CHCDMN CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000230661824 333320004 /nfs/dbraw/zinc/32/00/04/333320004.db2.gz ZGBPQDYBECLOPU-ACJLOTCBSA-N 0 1 287.403 3.747 20 10 CHCDMN C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000297411100 524503573 /nfs/dbraw/zinc/50/35/73/524503573.db2.gz UAZAZFQHMHOCTK-ZIAGYGMSSA-N 0 1 287.403 3.605 20 10 CHCDMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(N(C)C)cc2)o1 ZINC000020146019 524860774 /nfs/dbraw/zinc/86/07/74/524860774.db2.gz ZEONXEUHLVAUEL-GUYCJALGSA-N 0 1 284.403 3.759 20 10 CHCDMN C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc2ccccc2c1[O-] ZINC000042812038 525413359 /nfs/dbraw/zinc/41/33/59/525413359.db2.gz RRPOGFUDVOIKIR-DZGCQCFKSA-N 0 1 285.387 3.765 20 10 CHCDMN