smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H](C)c1noc(C[N@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)n1 ZINC000748093117 1016107955 /nfs/dbraw/zinc/10/79/55/1016107955.db2.gz IZVRFEOMUUUUBK-CYBMUJFWSA-N 1 2 347.459 3.721 20 10 EHCDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)n1 ZINC000748093117 1016107958 /nfs/dbraw/zinc/10/79/58/1016107958.db2.gz IZVRFEOMUUUUBK-CYBMUJFWSA-N 1 2 347.459 3.721 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000326084333 1020853108 /nfs/dbraw/zinc/85/31/08/1020853108.db2.gz YKNKZWCTOFGFJU-UHFFFAOYSA-N 1 2 341.842 3.542 20 10 EHCDLO Cc1ncoc1C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000894764937 1022878065 /nfs/dbraw/zinc/87/80/65/1022878065.db2.gz XUESISNDYOXPHA-UHFFFAOYSA-N 1 2 325.412 3.844 20 10 EHCDLO Cc1ncoc1C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000894764937 1022878078 /nfs/dbraw/zinc/87/80/78/1022878078.db2.gz XUESISNDYOXPHA-UHFFFAOYSA-N 1 2 325.412 3.844 20 10 EHCDLO COC1([C@@H](C)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000840885088 1027465971 /nfs/dbraw/zinc/46/59/71/1027465971.db2.gz VHHGDEPXQLFNRM-NXEZZACHSA-N 1 2 346.240 3.902 20 10 EHCDLO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273546685 1027485597 /nfs/dbraw/zinc/48/55/97/1027485597.db2.gz ZMRYZARIJJBSJJ-CYBMUJFWSA-N 1 2 329.400 3.844 20 10 EHCDLO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cccc(Cl)c1O ZINC000897521746 1028175765 /nfs/dbraw/zinc/17/57/65/1028175765.db2.gz IMQMUHCGHMLWKN-CYBMUJFWSA-N 1 2 325.758 3.619 20 10 EHCDLO CCOC(C)(C)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708173590 1028490512 /nfs/dbraw/zinc/49/05/12/1028490512.db2.gz WKEVCTRLVJIZDY-UHFFFAOYSA-N 1 2 336.657 3.713 20 10 EHCDLO COc1ccc(O)c(CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000378453815 1038637271 /nfs/dbraw/zinc/63/72/71/1038637271.db2.gz JSYNMSODVCZLNI-UHFFFAOYSA-N 1 2 347.418 3.928 20 10 EHCDLO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cc(F)cc(F)c1O ZINC000765810894 1128427996 /nfs/dbraw/zinc/42/79/96/1128427996.db2.gz SVUGKCCMZKREDE-BTDLBPIBSA-N 1 2 341.785 3.882 20 10 EHCDLO C[C@@H](c1nnc(Sc2nccs2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000914863061 1121016498 /nfs/dbraw/zinc/01/64/98/1121016498.db2.gz UGGKDFNDMIEFFV-JTQLQIEISA-N 1 2 349.460 3.637 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000769331221 1133263348 /nfs/dbraw/zinc/26/33/48/1133263348.db2.gz DQNFYYAXWFKAQH-LJQANCHMSA-N 1 2 330.859 3.980 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000769331221 1133263355 /nfs/dbraw/zinc/26/33/55/1133263355.db2.gz DQNFYYAXWFKAQH-LJQANCHMSA-N 1 2 330.859 3.980 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770664302 1133456055 /nfs/dbraw/zinc/45/60/55/1133456055.db2.gz FVFGOXOBBIQEET-SFHVURJKSA-N 1 2 333.790 3.816 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770664302 1133456057 /nfs/dbraw/zinc/45/60/57/1133456057.db2.gz FVFGOXOBBIQEET-SFHVURJKSA-N 1 2 333.790 3.816 20 10 EHCDLO COCCn1c2ccccc2[nH+]c1NCc1c(O)ccc(Cl)c1F ZINC000790245176 1134384837 /nfs/dbraw/zinc/38/48/37/1134384837.db2.gz GTQQKVUSTWKADK-UHFFFAOYSA-N 1 2 349.793 3.793 20 10 EHCDLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)n1-c1cccc(Cl)c1 ZINC000747168411 1135012525 /nfs/dbraw/zinc/01/25/25/1135012525.db2.gz CCGUKKWUGGYZKC-UHFFFAOYSA-N 1 2 342.830 3.709 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCSC[C@@H]2C2CC2)c1O ZINC001194519938 1135280100 /nfs/dbraw/zinc/28/01/00/1135280100.db2.gz WJSRFPBZCYMBRA-OAHLLOKOSA-N 1 2 325.861 3.576 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCSC[C@@H]2C2CC2)c1O ZINC001194519938 1135280106 /nfs/dbraw/zinc/28/01/06/1135280106.db2.gz WJSRFPBZCYMBRA-OAHLLOKOSA-N 1 2 325.861 3.576 20 10 EHCDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)cc1OC ZINC000775643108 1135381793 /nfs/dbraw/zinc/38/17/93/1135381793.db2.gz SRWSWAFEKCQCLK-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)cc1OC ZINC000775643108 1135381799 /nfs/dbraw/zinc/38/17/99/1135381799.db2.gz SRWSWAFEKCQCLK-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO CC[N@@H+](Cc1cccc(Cl)c1O)C[C@H]1COc2ccccc2O1 ZINC000775643624 1135382428 /nfs/dbraw/zinc/38/24/28/1135382428.db2.gz TWGDYQJHIIAEFM-AWEZNQCLSA-N 1 2 333.815 3.708 20 10 EHCDLO CC[N@H+](Cc1cccc(Cl)c1O)C[C@H]1COc2ccccc2O1 ZINC000775643624 1135382431 /nfs/dbraw/zinc/38/24/31/1135382431.db2.gz TWGDYQJHIIAEFM-AWEZNQCLSA-N 1 2 333.815 3.708 20 10 EHCDLO COc1ccc(OCC[N@H+](C)Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775645461 1135390024 /nfs/dbraw/zinc/39/00/24/1135390024.db2.gz AGNRDVUYTXUUTK-UHFFFAOYSA-N 1 2 339.794 3.704 20 10 EHCDLO COc1ccc(OCC[N@@H+](C)Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775645461 1135390029 /nfs/dbraw/zinc/39/00/29/1135390029.db2.gz AGNRDVUYTXUUTK-UHFFFAOYSA-N 1 2 339.794 3.704 20 10 EHCDLO Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000775711516 1135548987 /nfs/dbraw/zinc/54/89/87/1135548987.db2.gz CLBNRENSSTXUME-OAHLLOKOSA-N 1 2 326.843 3.635 20 10 EHCDLO CCS[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775833198 1135790614 /nfs/dbraw/zinc/79/06/14/1135790614.db2.gz HZEYSSYTJWGVTI-OLZOCXBDSA-N 1 2 334.489 3.801 20 10 EHCDLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775835208 1135794839 /nfs/dbraw/zinc/79/48/39/1135794839.db2.gz GAUGVOAQIBOFTO-HUUCEWRRSA-N 1 2 346.475 3.720 20 10 EHCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000809728642 1135872624 /nfs/dbraw/zinc/87/26/24/1135872624.db2.gz DKDUOQDMTINBGM-OAHLLOKOSA-N 1 2 333.229 3.887 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809728642 1135872627 /nfs/dbraw/zinc/87/26/27/1135872627.db2.gz DKDUOQDMTINBGM-OAHLLOKOSA-N 1 2 333.229 3.887 20 10 EHCDLO C=Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000809731135 1135873141 /nfs/dbraw/zinc/87/31/41/1135873141.db2.gz CPPJTFXRVZUAGS-UHFFFAOYSA-N 1 2 336.439 3.845 20 10 EHCDLO C=Cn1cc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000809731135 1135873144 /nfs/dbraw/zinc/87/31/44/1135873144.db2.gz CPPJTFXRVZUAGS-UHFFFAOYSA-N 1 2 336.439 3.845 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000809789747 1135891969 /nfs/dbraw/zinc/89/19/69/1135891969.db2.gz CELDDXSLWQXCSG-UHFFFAOYSA-N 1 2 335.762 3.558 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000809789747 1135891972 /nfs/dbraw/zinc/89/19/72/1135891972.db2.gz CELDDXSLWQXCSG-UHFFFAOYSA-N 1 2 335.762 3.558 20 10 EHCDLO CC[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000811511373 1136102517 /nfs/dbraw/zinc/10/25/17/1136102517.db2.gz HNBJKVCKYTVCPY-CYBMUJFWSA-N 1 2 342.277 3.934 20 10 EHCDLO CC[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000811511373 1136102518 /nfs/dbraw/zinc/10/25/18/1136102518.db2.gz HNBJKVCKYTVCPY-CYBMUJFWSA-N 1 2 342.277 3.934 20 10 EHCDLO COC1(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CCC1 ZINC000815642313 1136625348 /nfs/dbraw/zinc/62/53/48/1136625348.db2.gz YFXIWIWRTSLTNT-JTQLQIEISA-N 1 2 346.240 3.904 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000816542104 1136731811 /nfs/dbraw/zinc/73/18/11/1136731811.db2.gz CYBHJSPDBXYPMN-UHFFFAOYSA-N 1 2 333.794 3.783 20 10 EHCDLO CC(C)(C)OC(=O)CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559986 1136736563 /nfs/dbraw/zinc/73/65/63/1136736563.db2.gz AXIIMYCSHHNSHL-UHFFFAOYSA-N 1 2 331.815 3.786 20 10 EHCDLO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816602341 1136739845 /nfs/dbraw/zinc/73/98/45/1136739845.db2.gz SIOYCUHZMJKLCS-JTQLQIEISA-N 1 2 346.830 3.578 20 10 EHCDLO CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000817954565 1136850844 /nfs/dbraw/zinc/85/08/44/1136850844.db2.gz YWWBLVQOAUBDOV-SCLBCKFNSA-N 1 2 343.427 3.774 20 10 EHCDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)n1 ZINC000824275828 1137129662 /nfs/dbraw/zinc/12/96/62/1137129662.db2.gz GDKKAJJJSDXUSJ-ZDUSSCGKSA-N 1 2 342.468 3.927 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1Cl ZINC000862507504 1137147532 /nfs/dbraw/zinc/14/75/32/1137147532.db2.gz GUFIRANLLONZHV-UHFFFAOYSA-N 1 2 329.831 3.580 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1Cl ZINC000862507504 1137147533 /nfs/dbraw/zinc/14/75/33/1137147533.db2.gz GUFIRANLLONZHV-UHFFFAOYSA-N 1 2 329.831 3.580 20 10 EHCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@H](CO)c1ccc(Cl)cc1 ZINC000824690800 1137148586 /nfs/dbraw/zinc/14/85/86/1137148586.db2.gz MCGMZUBCKOAJGL-OAHLLOKOSA-N 1 2 326.223 3.864 20 10 EHCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@H](CO)c1ccc(Cl)cc1 ZINC000824690800 1137148588 /nfs/dbraw/zinc/14/85/88/1137148588.db2.gz MCGMZUBCKOAJGL-OAHLLOKOSA-N 1 2 326.223 3.864 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000844440768 1137223978 /nfs/dbraw/zinc/22/39/78/1137223978.db2.gz UAGNEOOASWLSMM-HNNXBMFYSA-N 1 2 329.774 3.869 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000844440768 1137223980 /nfs/dbraw/zinc/22/39/80/1137223980.db2.gz UAGNEOOASWLSMM-HNNXBMFYSA-N 1 2 329.774 3.869 20 10 EHCDLO C[C@]1(CC[NH2+]Cc2cccc(Br)c2O)C[C@@]1(F)Cl ZINC000846039066 1137329185 /nfs/dbraw/zinc/32/91/85/1137329185.db2.gz SRXADHXDSYCTGF-STQMWFEESA-N 1 2 336.632 3.949 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000715723186 1137477798 /nfs/dbraw/zinc/47/77/98/1137477798.db2.gz WSISPPUMVARLAC-JTQLQIEISA-N 1 2 338.167 3.961 20 10 EHCDLO Oc1ccc(Br)cc1C[N@@H+]1CCOc2ccccc2C1 ZINC000134098470 1137939945 /nfs/dbraw/zinc/93/99/45/1137939945.db2.gz DURBXHUVBVJLCE-UHFFFAOYSA-N 1 2 334.213 3.549 20 10 EHCDLO Oc1ccc(Br)cc1C[N@H+]1CCOc2ccccc2C1 ZINC000134098470 1137939946 /nfs/dbraw/zinc/93/99/46/1137939946.db2.gz DURBXHUVBVJLCE-UHFFFAOYSA-N 1 2 334.213 3.549 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000182207398 1139957567 /nfs/dbraw/zinc/95/75/67/1139957567.db2.gz LHNMYLYOBUCGIW-UHFFFAOYSA-N 1 2 335.806 3.980 20 10 EHCDLO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000185766941 1140168513 /nfs/dbraw/zinc/16/85/13/1140168513.db2.gz VXDMSGVAUKXDHA-QWHCGFSZSA-N 1 2 339.395 3.863 20 10 EHCDLO COc1ccc(O)c(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000191580151 1140473417 /nfs/dbraw/zinc/47/34/17/1140473417.db2.gz GAZMLAISVFTPFV-LBPRGKRZSA-N 1 2 331.416 3.682 20 10 EHCDLO Oc1cc2c(cc1CNc1ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc1)OCO2 ZINC000192214802 1140510896 /nfs/dbraw/zinc/51/08/96/1140510896.db2.gz MSNMOKMBCMIQNZ-SUMWQHHRSA-N 1 2 338.407 3.722 20 10 EHCDLO Oc1cc2c(cc1CNc1ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc1)OCO2 ZINC000192214802 1140510904 /nfs/dbraw/zinc/51/09/04/1140510904.db2.gz MSNMOKMBCMIQNZ-SUMWQHHRSA-N 1 2 338.407 3.722 20 10 EHCDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000828019609 1022186386 /nfs/dbraw/zinc/18/63/86/1022186386.db2.gz WYKYZHBGUZSBIX-UHFFFAOYSA-N 1 2 337.826 3.503 20 10 EHCDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000828019609 1022186410 /nfs/dbraw/zinc/18/64/10/1022186410.db2.gz WYKYZHBGUZSBIX-UHFFFAOYSA-N 1 2 337.826 3.503 20 10 EHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001142520268 1033189798 /nfs/dbraw/zinc/18/97/98/1033189798.db2.gz FCKPTOHHQRYEQY-LBPRGKRZSA-N 1 2 341.304 3.602 20 10 EHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001142520268 1033189810 /nfs/dbraw/zinc/18/98/10/1033189810.db2.gz FCKPTOHHQRYEQY-LBPRGKRZSA-N 1 2 341.304 3.602 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000271859119 1029202432 /nfs/dbraw/zinc/20/24/32/1029202432.db2.gz VRVMSUOPWKZHAW-CYBMUJFWSA-N 1 2 327.877 3.580 20 10 EHCDLO COC[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000898214548 1033372076 /nfs/dbraw/zinc/37/20/76/1033372076.db2.gz DAZAHEFKNWMGMU-ZDUSSCGKSA-N 1 2 335.831 3.749 20 10 EHCDLO COc1ccc(N(C)Cc2c[nH+]c(C)n2-c2ccccc2)cc1OC ZINC000761221517 1034756766 /nfs/dbraw/zinc/75/67/66/1034756766.db2.gz PEKLEYNABHASSV-UHFFFAOYSA-N 1 2 337.423 3.834 20 10 EHCDLO Oc1cc(Br)cc(F)c1C[NH+]1CC(c2ccccc2)C1 ZINC001233032164 1036277194 /nfs/dbraw/zinc/27/71/94/1036277194.db2.gz VMVRFLCOLDPJGI-UHFFFAOYSA-N 1 2 336.204 3.893 20 10 EHCDLO CC1(C)CC2(CC([NH2+]Cc3cccc(Br)c3O)C2)CO1 ZINC000894047363 1040005677 /nfs/dbraw/zinc/00/56/77/1040005677.db2.gz UISCNTHVPHWZHQ-UHFFFAOYSA-N 1 2 340.261 3.592 20 10 EHCDLO COc1cc(C)cc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1O ZINC000184957284 1126720053 /nfs/dbraw/zinc/72/00/53/1126720053.db2.gz FOCIPPXXQJBNBL-OAHLLOKOSA-N 1 2 346.496 3.650 20 10 EHCDLO CN(C)c1ccc(CN(C(=O)Nc2ccc3[nH+]ccn3c2)C2CC2)cc1 ZINC000738951377 1131490886 /nfs/dbraw/zinc/49/08/86/1131490886.db2.gz LDYOWMVNSBMOOL-UHFFFAOYSA-N 1 2 349.438 3.597 20 10 EHCDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(F)c(F)c1O ZINC001180108832 1133331874 /nfs/dbraw/zinc/33/18/74/1133331874.db2.gz XYSJCYMMFXXOPI-UHFFFAOYSA-N 1 2 337.366 3.710 20 10 EHCDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(F)c(F)c1O ZINC001180108832 1133331880 /nfs/dbraw/zinc/33/18/80/1133331880.db2.gz XYSJCYMMFXXOPI-UHFFFAOYSA-N 1 2 337.366 3.710 20 10 EHCDLO CC(C)C[C@H]([NH2+]Cc1ccccc1O)C(=O)OCc1ccccc1 ZINC000789574580 1134297669 /nfs/dbraw/zinc/29/76/69/1134297669.db2.gz ZAYZXEWCPLQJAI-SFHVURJKSA-N 1 2 327.424 3.640 20 10 EHCDLO CCOC(=O)CC1([NH2+]Cc2cc(Cl)cc(F)c2O)CCCC1 ZINC000789777808 1134332623 /nfs/dbraw/zinc/33/26/23/1134332623.db2.gz DCZUQTSISBUQFI-UHFFFAOYSA-N 1 2 329.799 3.540 20 10 EHCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(c3ccsc3)C2=O)c1 ZINC000790107246 1134368204 /nfs/dbraw/zinc/36/82/04/1134368204.db2.gz FBUGBEVBKBIOCI-NTUHNPAUSA-N 1 2 348.474 3.866 20 10 EHCDLO Cc1cccc(CC2(O)CC[NH+](Cc3cccc(Cl)c3O)CC2)c1 ZINC000793321269 1134903366 /nfs/dbraw/zinc/90/33/66/1134903366.db2.gz AJHQAOXOTBXLSW-UHFFFAOYSA-N 1 2 345.870 3.924 20 10 EHCDLO FC(F)(F)Oc1ccc2c(c1)CCCN2CCCn1cc[nH+]c1 ZINC000775618392 1135336245 /nfs/dbraw/zinc/33/62/45/1135336245.db2.gz FIDCCFGURQONTL-UHFFFAOYSA-N 1 2 325.334 3.625 20 10 EHCDLO CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cccc(Cl)c1O ZINC000806139095 1135389883 /nfs/dbraw/zinc/38/98/83/1135389883.db2.gz ITNGEYLMNBBRAJ-OAHLLOKOSA-N 1 2 338.879 3.735 20 10 EHCDLO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1O ZINC000806129457 1135396087 /nfs/dbraw/zinc/39/60/87/1135396087.db2.gz GBVACGSKOYKOCZ-VBQJREDUSA-N 1 2 340.895 3.586 20 10 EHCDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CC)c2cccc(Cl)c2O)C1 ZINC000806163260 1135406071 /nfs/dbraw/zinc/40/60/71/1135406071.db2.gz CLSJFYLMJWDMRN-XUJVJEKNSA-N 1 2 325.836 3.818 20 10 EHCDLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775650758 1135415784 /nfs/dbraw/zinc/41/57/84/1135415784.db2.gz FOLXERUMIULXQQ-AWEZNQCLSA-N 1 2 347.842 3.857 20 10 EHCDLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775650758 1135415785 /nfs/dbraw/zinc/41/57/85/1135415785.db2.gz FOLXERUMIULXQQ-AWEZNQCLSA-N 1 2 347.842 3.857 20 10 EHCDLO CC[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc(Cl)c1O ZINC000806143348 1135483320 /nfs/dbraw/zinc/48/33/20/1135483320.db2.gz UQKOLFPKKDSPOM-ZDUSSCGKSA-N 1 2 325.865 3.809 20 10 EHCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)C1CCC1 ZINC000775703596 1135537841 /nfs/dbraw/zinc/53/78/41/1135537841.db2.gz UUBOHMFSKIRCCM-UHFFFAOYSA-N 1 2 349.066 3.902 20 10 EHCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)C1CCC1 ZINC000775703596 1135537845 /nfs/dbraw/zinc/53/78/45/1135537845.db2.gz UUBOHMFSKIRCCM-UHFFFAOYSA-N 1 2 349.066 3.902 20 10 EHCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000775706679 1135543964 /nfs/dbraw/zinc/54/39/64/1135543964.db2.gz CBXGBTCHNJVCMH-KRWDZBQOSA-N 1 2 344.842 3.673 20 10 EHCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000775706679 1135543969 /nfs/dbraw/zinc/54/39/69/1135543969.db2.gz CBXGBTCHNJVCMH-KRWDZBQOSA-N 1 2 344.842 3.673 20 10 EHCDLO C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1Cc1ccccc1 ZINC000809784486 1135890897 /nfs/dbraw/zinc/89/08/97/1135890897.db2.gz KQTXGQZYWNTROQ-UGSOOPFHSA-N 1 2 348.849 3.937 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000810026892 1135911713 /nfs/dbraw/zinc/91/17/13/1135911713.db2.gz XNHZGYNDYVNJAE-NVXWUHKLSA-N 1 2 337.847 3.638 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000810026892 1135911714 /nfs/dbraw/zinc/91/17/14/1135911714.db2.gz XNHZGYNDYVNJAE-NVXWUHKLSA-N 1 2 337.847 3.638 20 10 EHCDLO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cccc(Br)c1O ZINC000776175425 1136021541 /nfs/dbraw/zinc/02/15/41/1136021541.db2.gz ZVDSESBDNBSSID-LLVKDONJSA-N 1 2 336.229 3.581 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000776252440 1136102033 /nfs/dbraw/zinc/10/20/33/1136102033.db2.gz UQNUIFFFHHDGMV-CYBMUJFWSA-N 1 2 345.867 3.719 20 10 EHCDLO OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(C(F)(F)F)cc1 ZINC000776253640 1136102413 /nfs/dbraw/zinc/10/24/13/1136102413.db2.gz MRYQRDGVQSKDMW-CQSZACIVSA-N 1 2 345.748 3.888 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811513214 1136102944 /nfs/dbraw/zinc/10/29/44/1136102944.db2.gz RQWUCZAMRQVPPA-INIZCTEOSA-N 1 2 328.843 3.683 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811513214 1136102946 /nfs/dbraw/zinc/10/29/46/1136102946.db2.gz RQWUCZAMRQVPPA-INIZCTEOSA-N 1 2 328.843 3.683 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O ZINC000850556346 1136284933 /nfs/dbraw/zinc/28/49/33/1136284933.db2.gz KOUJBTAXMCOYCA-SWLSCSKDSA-N 1 2 338.879 3.733 20 10 EHCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000853611884 1136549799 /nfs/dbraw/zinc/54/97/99/1136549799.db2.gz ZDENRWUKAKBKTK-CYBMUJFWSA-N 1 2 347.377 3.549 20 10 EHCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000853611884 1136549802 /nfs/dbraw/zinc/54/98/02/1136549802.db2.gz ZDENRWUKAKBKTK-CYBMUJFWSA-N 1 2 347.377 3.549 20 10 EHCDLO Cc1cc(C)c([C@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)c(O)c1 ZINC000815596207 1136616439 /nfs/dbraw/zinc/61/64/39/1136616439.db2.gz NSJHHOUGRCULHB-ZDUSSCGKSA-N 1 2 340.402 3.784 20 10 EHCDLO Cc1cc(C)c([C@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)c(O)c1 ZINC000815596207 1136616441 /nfs/dbraw/zinc/61/64/41/1136616441.db2.gz NSJHHOUGRCULHB-ZDUSSCGKSA-N 1 2 340.402 3.784 20 10 EHCDLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(F)c(N(C)C)cc2F)o1 ZINC000858145121 1136943789 /nfs/dbraw/zinc/94/37/89/1136943789.db2.gz MHLOXZIQIKEMPL-INIZCTEOSA-N 1 2 338.398 3.664 20 10 EHCDLO Cc1cccc2[nH]c(C[NH2+]Cc3cc(F)c(N(C)C)cc3F)nc21 ZINC000858154410 1136944904 /nfs/dbraw/zinc/94/49/04/1136944904.db2.gz GWWWNCSVSMOFGD-UHFFFAOYSA-N 1 2 330.382 3.505 20 10 EHCDLO Cc1ncc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)o1 ZINC000862366053 1137140547 /nfs/dbraw/zinc/14/05/47/1137140547.db2.gz BQLFCPLVCPNBLR-UHFFFAOYSA-N 1 2 325.412 3.844 20 10 EHCDLO Cc1ncc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)o1 ZINC000862366053 1137140548 /nfs/dbraw/zinc/14/05/48/1137140548.db2.gz BQLFCPLVCPNBLR-UHFFFAOYSA-N 1 2 325.412 3.844 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](C)NC(=O)OC(C)(C)C ZINC000824644097 1137146065 /nfs/dbraw/zinc/14/60/65/1137146065.db2.gz MUXIWMLZWKNQPF-ZJUUUORDSA-N 1 2 346.830 3.576 20 10 EHCDLO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1n1cccn1 ZINC000825117425 1137166208 /nfs/dbraw/zinc/16/62/08/1137166208.db2.gz CWRUWVMHXZPZDB-XHSDSOJGSA-N 1 2 349.862 3.529 20 10 EHCDLO CCS[C@H](C)c1noc(C[N@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000119440576 1137185754 /nfs/dbraw/zinc/18/57/54/1137185754.db2.gz AGJJNCLNWVEFBY-CYBMUJFWSA-N 1 2 335.473 3.838 20 10 EHCDLO CCS[C@H](C)c1noc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000119440576 1137185756 /nfs/dbraw/zinc/18/57/56/1137185756.db2.gz AGJJNCLNWVEFBY-CYBMUJFWSA-N 1 2 335.473 3.838 20 10 EHCDLO Cc1ccc(-c2noc(CCC[N@@H+](C)c3ccc(N)cc3)n2)cc1F ZINC000863558012 1137192080 /nfs/dbraw/zinc/19/20/80/1137192080.db2.gz ZENFTXXMLPKMOC-UHFFFAOYSA-N 1 2 340.402 3.835 20 10 EHCDLO Cc1ccc(-c2noc(CCC[N@H+](C)c3ccc(N)cc3)n2)cc1F ZINC000863558012 1137192081 /nfs/dbraw/zinc/19/20/81/1137192081.db2.gz ZENFTXXMLPKMOC-UHFFFAOYSA-N 1 2 340.402 3.835 20 10 EHCDLO CCC[N@H+](Cc1cc(Br)c(F)cc1O)C1CCOCC1 ZINC001144307637 1137271009 /nfs/dbraw/zinc/27/10/09/1137271009.db2.gz CUYJNADNSLVSOW-UHFFFAOYSA-N 1 2 346.240 3.685 20 10 EHCDLO CCC[N@@H+](Cc1cc(Br)c(F)cc1O)C1CCOCC1 ZINC001144307637 1137271010 /nfs/dbraw/zinc/27/10/10/1137271010.db2.gz CUYJNADNSLVSOW-UHFFFAOYSA-N 1 2 346.240 3.685 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000715777619 1137478204 /nfs/dbraw/zinc/47/82/04/1137478204.db2.gz IRZVHFBZJDZTKZ-YOGCLGLASA-N 1 2 346.265 3.810 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1nc(C(F)(F)F)cs1 ZINC000877483352 1137677882 /nfs/dbraw/zinc/67/78/82/1137677882.db2.gz STQMGWXIELYNNB-ZCFIWIBFSA-N 1 2 338.301 3.997 20 10 EHCDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000180678284 1139855299 /nfs/dbraw/zinc/85/52/99/1139855299.db2.gz QIHDNHWLPGHADR-IPQOISQHSA-N 1 2 337.872 3.976 20 10 EHCDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180678284 1139855309 /nfs/dbraw/zinc/85/53/09/1139855309.db2.gz QIHDNHWLPGHADR-IPQOISQHSA-N 1 2 337.872 3.976 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](Cc2cccnc2)C2CC2)c1O ZINC000180727056 1139859820 /nfs/dbraw/zinc/85/98/20/1139859820.db2.gz FAFZXLULVAGIHW-UHFFFAOYSA-N 1 2 330.815 3.808 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](Cc2cccnc2)C2CC2)c1O ZINC000180727056 1139859826 /nfs/dbraw/zinc/85/98/26/1139859826.db2.gz FAFZXLULVAGIHW-UHFFFAOYSA-N 1 2 330.815 3.808 20 10 EHCDLO COc1ccc(N(CCCn2cc[nH+]c2)Cc2ccco2)cc1F ZINC000183191144 1140020189 /nfs/dbraw/zinc/02/01/89/1140020189.db2.gz GHOXLNAYLAIDGQ-UHFFFAOYSA-N 1 2 329.375 3.721 20 10 EHCDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(F)c(F)c2O)o1 ZINC000187734729 1140269035 /nfs/dbraw/zinc/26/90/35/1140269035.db2.gz BQDXUAWLGKTVFU-QMTHXVAHSA-N 1 2 325.355 3.864 20 10 EHCDLO CC(C)O[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708215961 1028970072 /nfs/dbraw/zinc/97/00/72/1028970072.db2.gz OTGDGNRKEJJCGW-LBPRGKRZSA-N 1 2 348.668 3.807 20 10 EHCDLO CC(C)O[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708215961 1028970090 /nfs/dbraw/zinc/97/00/90/1028970090.db2.gz OTGDGNRKEJJCGW-LBPRGKRZSA-N 1 2 348.668 3.807 20 10 EHCDLO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Br)cc(F)c1O ZINC000527925291 1031416299 /nfs/dbraw/zinc/41/62/99/1031416299.db2.gz IWSKSCBSTNNPPG-MNOVXSKESA-N 1 2 346.240 3.761 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c1O ZINC000761202826 1034408950 /nfs/dbraw/zinc/40/89/50/1034408950.db2.gz NIFNTWABVMFDLZ-UHFFFAOYSA-N 1 2 343.851 3.606 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c1O ZINC000761202826 1034408956 /nfs/dbraw/zinc/40/89/56/1034408956.db2.gz NIFNTWABVMFDLZ-UHFFFAOYSA-N 1 2 343.851 3.606 20 10 EHCDLO C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756535732 1040149254 /nfs/dbraw/zinc/14/92/54/1040149254.db2.gz QEUOGVKTIPANGS-LLVKDONJSA-N 1 2 344.402 3.578 20 10 EHCDLO COc1cccc([C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CCO2)c1 ZINC000131664209 1128525242 /nfs/dbraw/zinc/52/52/42/1128525242.db2.gz CCDJJFCIFMWXON-SFHVURJKSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cccc([C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCO2)c1 ZINC000131664209 1128525246 /nfs/dbraw/zinc/52/52/46/1128525246.db2.gz CCDJJFCIFMWXON-SFHVURJKSA-N 1 2 333.815 3.628 20 10 EHCDLO CN(C)c1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)cc1 ZINC000773432825 1132514703 /nfs/dbraw/zinc/51/47/03/1132514703.db2.gz XKRPUHMZGGLMML-FQEVSTJZSA-N 1 2 338.430 3.504 20 10 EHCDLO COc1cc[nH+]cc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001176124504 1132853268 /nfs/dbraw/zinc/85/32/68/1132853268.db2.gz PIKHPABMHVRHBE-UHFFFAOYSA-N 1 2 335.363 3.635 20 10 EHCDLO CC(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)N1CCC(C)CC1 ZINC001177256221 1133046475 /nfs/dbraw/zinc/04/64/75/1133046475.db2.gz BRBCOVXELVSPFP-KRWDZBQOSA-N 1 2 326.431 3.517 20 10 EHCDLO COc1cc(O)c(C[N@H+](C)Cc2c(F)cccc2Cl)cc1OC ZINC000768437612 1133138159 /nfs/dbraw/zinc/13/81/59/1133138159.db2.gz BFGCUSJXXOWEOB-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO COc1cc(O)c(C[N@@H+](C)Cc2c(F)cccc2Cl)cc1OC ZINC000768437612 1133138162 /nfs/dbraw/zinc/13/81/62/1133138162.db2.gz BFGCUSJXXOWEOB-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO CC[C@]1(C)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000785984141 1133789060 /nfs/dbraw/zinc/78/90/60/1133789060.db2.gz GGFNRWLMZUQICY-LJQANCHMSA-N 1 2 347.459 3.586 20 10 EHCDLO CC[C@]1(C)C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000785984141 1133789064 /nfs/dbraw/zinc/78/90/64/1133789064.db2.gz GGFNRWLMZUQICY-LJQANCHMSA-N 1 2 347.459 3.586 20 10 EHCDLO COc1c(O)c(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774910529 1134117013 /nfs/dbraw/zinc/11/70/13/1134117013.db2.gz YCPBBQIKGMBPMM-AWEZNQCLSA-N 1 2 348.786 3.909 20 10 EHCDLO COc1c(O)c(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774910529 1134117016 /nfs/dbraw/zinc/11/70/16/1134117016.db2.gz YCPBBQIKGMBPMM-AWEZNQCLSA-N 1 2 348.786 3.909 20 10 EHCDLO CSC1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000788607914 1134150312 /nfs/dbraw/zinc/15/03/12/1134150312.db2.gz YNCNKLGMDMSSTG-QMMMGPOBSA-N 1 2 334.254 3.840 20 10 EHCDLO COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)[NH2+]Cc1ccccc1O ZINC000789579366 1134298070 /nfs/dbraw/zinc/29/80/70/1134298070.db2.gz GWEFWZDCPROZSM-VQIMIIECSA-N 1 2 339.435 3.534 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000790961943 1134486418 /nfs/dbraw/zinc/48/64/18/1134486418.db2.gz FICJJIKQJUOXBH-UHFFFAOYSA-N 1 2 331.778 3.660 20 10 EHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190097166 1134654958 /nfs/dbraw/zinc/65/49/58/1134654958.db2.gz KLJBNFCRZAXKQP-UHFFFAOYSA-N 1 2 348.450 3.601 20 10 EHCDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792167398 1134661262 /nfs/dbraw/zinc/66/12/62/1134661262.db2.gz HBYFQOOMIOZOLZ-JTQLQIEISA-N 1 2 346.830 3.530 20 10 EHCDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792167398 1134661270 /nfs/dbraw/zinc/66/12/70/1134661270.db2.gz HBYFQOOMIOZOLZ-JTQLQIEISA-N 1 2 346.830 3.530 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1cccc(Cl)c1O ZINC000806133320 1135389449 /nfs/dbraw/zinc/38/94/49/1135389449.db2.gz LDQQLIDKFHMRMY-KBXCAEBGSA-N 1 2 349.858 3.835 20 10 EHCDLO CC[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc(Cl)c1O ZINC000806141387 1135400051 /nfs/dbraw/zinc/40/00/51/1135400051.db2.gz IXEKWNHUTILDGN-HOCLYGCPSA-N 1 2 328.909 3.524 20 10 EHCDLO CC[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806149804 1135402071 /nfs/dbraw/zinc/40/20/71/1135402071.db2.gz IDRZMOOBKWPBBJ-PBHICJAKSA-N 1 2 337.822 3.829 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161133 1135404151 /nfs/dbraw/zinc/40/41/51/1135404151.db2.gz NIKYWCGLJZATOQ-BXUZGUMPSA-N 1 2 340.254 3.951 20 10 EHCDLO CC[C@H]([NH2+][C@@H](CC(=O)NC)c1ccccc1)c1cccc(Cl)c1O ZINC000806164270 1135405875 /nfs/dbraw/zinc/40/58/75/1135405875.db2.gz PHKPOYRBUFGCMU-IRXDYDNUSA-N 1 2 346.858 3.964 20 10 EHCDLO COc1cc2c(cc1OC)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC000775661826 1135437838 /nfs/dbraw/zinc/43/78/38/1135437838.db2.gz QDIFZROFGSAOTF-UHFFFAOYSA-N 1 2 347.842 3.664 20 10 EHCDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)cc1O ZINC000775664548 1135439915 /nfs/dbraw/zinc/43/99/15/1135439915.db2.gz XTLSWJUOIYSNFD-UHFFFAOYSA-N 1 2 325.767 3.531 20 10 EHCDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)cc1O ZINC000775664548 1135439917 /nfs/dbraw/zinc/43/99/17/1135439917.db2.gz XTLSWJUOIYSNFD-UHFFFAOYSA-N 1 2 325.767 3.531 20 10 EHCDLO COCC1=CC[N@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000775827659 1135785981 /nfs/dbraw/zinc/78/59/81/1135785981.db2.gz UQOLGXNJJURYGI-UHFFFAOYSA-N 1 2 338.451 3.555 20 10 EHCDLO COCC1=CC[N@@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000775827659 1135785985 /nfs/dbraw/zinc/78/59/85/1135785985.db2.gz UQOLGXNJJURYGI-UHFFFAOYSA-N 1 2 338.451 3.555 20 10 EHCDLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775835211 1135794820 /nfs/dbraw/zinc/79/48/20/1135794820.db2.gz GAUGVOAQIBOFTO-LSDHHAIUSA-N 1 2 346.475 3.720 20 10 EHCDLO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000809724349 1135878715 /nfs/dbraw/zinc/87/87/15/1135878715.db2.gz IJXWVZINGFQUSD-ABAIWWIYSA-N 1 2 329.271 3.758 20 10 EHCDLO CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1cc(Br)ccc1O ZINC000810253858 1135948784 /nfs/dbraw/zinc/94/87/84/1135948784.db2.gz FOJGPFPAFXJXFD-VXGBXAGGSA-N 1 2 329.282 3.534 20 10 EHCDLO CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1cc(Br)ccc1O ZINC000810253858 1135948785 /nfs/dbraw/zinc/94/87/85/1135948785.db2.gz FOJGPFPAFXJXFD-VXGBXAGGSA-N 1 2 329.282 3.534 20 10 EHCDLO COc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1OC(F)F ZINC000776175144 1136021596 /nfs/dbraw/zinc/02/15/96/1136021596.db2.gz WWTVJIDEDKLWBE-UHFFFAOYSA-N 1 2 343.757 3.945 20 10 EHCDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000776247182 1136104595 /nfs/dbraw/zinc/10/45/95/1136104595.db2.gz APUQRCVWULVEDP-UHFFFAOYSA-N 1 2 327.167 3.897 20 10 EHCDLO Cc1ccc(O)c(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)c1 ZINC000811840515 1136144076 /nfs/dbraw/zinc/14/40/76/1136144076.db2.gz HVXUCHPZRVPGTG-UHFFFAOYSA-N 1 2 344.308 3.987 20 10 EHCDLO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2)cc1 ZINC000850489928 1136270154 /nfs/dbraw/zinc/27/01/54/1136270154.db2.gz YFZNNRIVESPVSJ-GXTWGEPZSA-N 1 2 348.393 3.609 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O ZINC000850556345 1136284764 /nfs/dbraw/zinc/28/47/64/1136284764.db2.gz KOUJBTAXMCOYCA-IUODEOHRSA-N 1 2 338.879 3.733 20 10 EHCDLO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Br)c(F)cc1O ZINC000850570905 1136288959 /nfs/dbraw/zinc/28/89/59/1136288959.db2.gz JXFKEESFYOCFDM-NXEZZACHSA-N 1 2 346.240 3.760 20 10 EHCDLO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000815588407 1136615221 /nfs/dbraw/zinc/61/52/21/1136615221.db2.gz NMHDBORATKKCTD-ICSRJNTNSA-N 1 2 347.462 3.936 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000816514588 1136729699 /nfs/dbraw/zinc/72/96/99/1136729699.db2.gz BRWWQXOSFGVFOV-LJQANCHMSA-N 1 2 347.817 3.859 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000816514588 1136729700 /nfs/dbraw/zinc/72/97/00/1136729700.db2.gz BRWWQXOSFGVFOV-LJQANCHMSA-N 1 2 347.817 3.859 20 10 EHCDLO COc1cccc(OCCC[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816552487 1136731733 /nfs/dbraw/zinc/73/17/33/1136731733.db2.gz NWLFYVDOAWQORL-UHFFFAOYSA-N 1 2 339.794 3.752 20 10 EHCDLO C[C@@H](CC[NH2+]Cc1cc(Cl)cc(F)c1O)NC(=O)OC(C)(C)C ZINC000857070208 1136840873 /nfs/dbraw/zinc/84/08/73/1136840873.db2.gz GHLPKKZQGFIGOE-JTQLQIEISA-N 1 2 346.830 3.578 20 10 EHCDLO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000776952320 1136894837 /nfs/dbraw/zinc/89/48/37/1136894837.db2.gz HWVBLFRJCKFMKG-UONOGXRCSA-N 1 2 342.277 3.838 20 10 EHCDLO Cc1csc(C(C)(C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000858139697 1136943320 /nfs/dbraw/zinc/94/33/20/1136943320.db2.gz PDCUPVXQOQCOSK-UHFFFAOYSA-N 1 2 325.428 3.821 20 10 EHCDLO COc1cccc([C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2O)OC)c1 ZINC000858442348 1136967803 /nfs/dbraw/zinc/96/78/03/1136967803.db2.gz GHAHPJMIQAOEFY-DIFFPNOSSA-N 1 2 337.366 3.717 20 10 EHCDLO CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cccc(Cl)c1O ZINC000858541195 1136977292 /nfs/dbraw/zinc/97/72/92/1136977292.db2.gz UOTJMFCFIDFXAO-HNNXBMFYSA-N 1 2 338.879 3.735 20 10 EHCDLO Cn1ncc(C2CC2)c1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000824474545 1137139082 /nfs/dbraw/zinc/13/90/82/1137139082.db2.gz PEJJMIUPXKPDIZ-UHFFFAOYSA-N 1 2 337.423 3.799 20 10 EHCDLO Cn1ncc(C2CC2)c1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000824474545 1137139083 /nfs/dbraw/zinc/13/90/83/1137139083.db2.gz PEJJMIUPXKPDIZ-UHFFFAOYSA-N 1 2 337.423 3.799 20 10 EHCDLO Cc1[nH]c(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)[nH+]c1C ZINC000862367166 1137140557 /nfs/dbraw/zinc/14/05/57/1137140557.db2.gz XYVKYJQSWGYLTA-UHFFFAOYSA-N 1 2 338.455 3.888 20 10 EHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000844399887 1137217244 /nfs/dbraw/zinc/21/72/44/1137217244.db2.gz RSDBTLMUFRFKAU-UHFFFAOYSA-N 1 2 331.460 3.549 20 10 EHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000844399887 1137217245 /nfs/dbraw/zinc/21/72/45/1137217245.db2.gz RSDBTLMUFRFKAU-UHFFFAOYSA-N 1 2 331.460 3.549 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144179943 1137248135 /nfs/dbraw/zinc/24/81/35/1137248135.db2.gz ZKGRAYOPOGCILW-UHFFFAOYSA-N 1 2 346.434 3.622 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144179943 1137248136 /nfs/dbraw/zinc/24/81/36/1137248136.db2.gz ZKGRAYOPOGCILW-UHFFFAOYSA-N 1 2 346.434 3.622 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001144306647 1137270805 /nfs/dbraw/zinc/27/08/05/1137270805.db2.gz KVFMTHZBEDNZLO-MRVPVSSYSA-N 1 2 342.130 3.678 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001144306647 1137270806 /nfs/dbraw/zinc/27/08/06/1137270806.db2.gz KVFMTHZBEDNZLO-MRVPVSSYSA-N 1 2 342.130 3.678 20 10 EHCDLO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745172 1137478184 /nfs/dbraw/zinc/47/81/84/1137478184.db2.gz KSWLKNGOYMKKOQ-ZCFIWIBFSA-N 1 2 330.119 3.724 20 10 EHCDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703175 1137686378 /nfs/dbraw/zinc/68/63/78/1137686378.db2.gz UUVUQNMHDWBVSZ-UHFFFAOYSA-N 1 2 338.285 3.835 20 10 EHCDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703175 1137686379 /nfs/dbraw/zinc/68/63/79/1137686379.db2.gz UUVUQNMHDWBVSZ-UHFFFAOYSA-N 1 2 338.285 3.835 20 10 EHCDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC000877816564 1137691331 /nfs/dbraw/zinc/69/13/31/1137691331.db2.gz JLQNRAVUEUHMDW-UHFFFAOYSA-N 1 2 330.815 3.562 20 10 EHCDLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC000877816564 1137691332 /nfs/dbraw/zinc/69/13/32/1137691332.db2.gz JLQNRAVUEUHMDW-UHFFFAOYSA-N 1 2 330.815 3.562 20 10 EHCDLO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)c1O ZINC000093081103 1138234168 /nfs/dbraw/zinc/23/41/68/1138234168.db2.gz HPAYTBFMPKRLNE-QGZVFWFLSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)c1O ZINC000093081103 1138234169 /nfs/dbraw/zinc/23/41/69/1138234169.db2.gz HPAYTBFMPKRLNE-QGZVFWFLSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000184700172 1032318624 /nfs/dbraw/zinc/31/86/24/1032318624.db2.gz UJZOEUSSQVVFIH-HNNXBMFYSA-N 1 2 339.844 3.689 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000184700172 1032318635 /nfs/dbraw/zinc/31/86/35/1032318635.db2.gz UJZOEUSSQVVFIH-HNNXBMFYSA-N 1 2 339.844 3.689 20 10 EHCDLO Cc1cccnc1CCC[NH2+]Cc1cccc(Br)c1O ZINC000693688829 1028770012 /nfs/dbraw/zinc/77/00/12/1028770012.db2.gz GJWIWULRXSQBOS-UHFFFAOYSA-N 1 2 335.245 3.581 20 10 EHCDLO Cc1nc(C2([NH2+]Cc3cc(Cl)cc(C)c3O)CCCCC2)no1 ZINC000271896525 1029220299 /nfs/dbraw/zinc/22/02/99/1029220299.db2.gz UJHPHHRWDDQGFB-UHFFFAOYSA-N 1 2 335.835 3.995 20 10 EHCDLO CC[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1cccc(Cl)c1O ZINC000527997097 1031557422 /nfs/dbraw/zinc/55/74/22/1031557422.db2.gz GWLBCPPQZHQQIW-HOCLYGCPSA-N 1 2 330.815 3.650 20 10 EHCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1noc(-c2ccccc2)n1 ZINC000185767926 1035529284 /nfs/dbraw/zinc/52/92/84/1035529284.db2.gz CASROEIYJVUKQJ-NWDGAFQWSA-N 1 2 327.359 3.993 20 10 EHCDLO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756442235 1038770663 /nfs/dbraw/zinc/77/06/63/1038770663.db2.gz DCAYIDPIQLQMPW-CYBMUJFWSA-N 1 2 332.394 3.990 20 10 EHCDLO CN(CCC[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1F ZINC001648891457 1120062890 /nfs/dbraw/zinc/06/28/90/1120062890.db2.gz IDVXJGZQSHSHJI-UHFFFAOYSA-N 1 2 340.801 3.940 20 10 EHCDLO Cc1ccccc1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715744061 1129141897 /nfs/dbraw/zinc/14/18/97/1129141897.db2.gz DTQILAZZCLOIOY-UHFFFAOYSA-N 1 2 338.220 3.935 20 10 EHCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738117787 1131462670 /nfs/dbraw/zinc/46/26/70/1131462670.db2.gz WRLDIGWHCRWYHM-UHFFFAOYSA-N 1 2 345.439 3.791 20 10 EHCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738117787 1131462672 /nfs/dbraw/zinc/46/26/72/1131462672.db2.gz WRLDIGWHCRWYHM-UHFFFAOYSA-N 1 2 345.439 3.791 20 10 EHCDLO COc1cc[nH+]cc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001176121477 1132853241 /nfs/dbraw/zinc/85/32/41/1132853241.db2.gz JNHBKIQBHSRUSO-UHFFFAOYSA-N 1 2 330.343 3.609 20 10 EHCDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)c(O)cc1C ZINC000768452721 1133141321 /nfs/dbraw/zinc/14/13/21/1133141321.db2.gz RRPGQVGCLLHPFU-LJQANCHMSA-N 1 2 347.842 3.936 20 10 EHCDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)c(O)cc1C ZINC000768452721 1133141325 /nfs/dbraw/zinc/14/13/25/1133141325.db2.gz RRPGQVGCLLHPFU-LJQANCHMSA-N 1 2 347.842 3.936 20 10 EHCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000768531258 1133151428 /nfs/dbraw/zinc/15/14/28/1133151428.db2.gz WAUXSOCGVAEQOY-SFHVURJKSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000768531258 1133151432 /nfs/dbraw/zinc/15/14/32/1133151432.db2.gz WAUXSOCGVAEQOY-SFHVURJKSA-N 1 2 333.815 3.628 20 10 EHCDLO Cc1ccc2[nH+]c(NCc3c(O)cccc3Br)[nH]c2c1 ZINC001179443268 1133251891 /nfs/dbraw/zinc/25/18/91/1133251891.db2.gz NGSFBIKWKBAFQG-UHFFFAOYSA-N 1 2 332.201 3.952 20 10 EHCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](c2ccsc2)O1 ZINC000769514614 1133307489 /nfs/dbraw/zinc/30/74/89/1133307489.db2.gz NEMJMHSZACFLNQ-SCLBCKFNSA-N 1 2 334.460 3.915 20 10 EHCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](c2ccsc2)O1 ZINC000769514614 1133307493 /nfs/dbraw/zinc/30/74/93/1133307493.db2.gz NEMJMHSZACFLNQ-SCLBCKFNSA-N 1 2 334.460 3.915 20 10 EHCDLO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000775152607 1134398148 /nfs/dbraw/zinc/39/81/48/1134398148.db2.gz NPZKYJYIEBVFJW-WFASDCNBSA-N 1 2 342.277 3.696 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000790951188 1134484137 /nfs/dbraw/zinc/48/41/37/1134484137.db2.gz WSNLCYSLMYQVKG-UHFFFAOYSA-N 1 2 340.185 3.776 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793367306 1134913269 /nfs/dbraw/zinc/91/32/69/1134913269.db2.gz WAJHKGDMRYJQTD-UHFFFAOYSA-N 1 2 347.890 3.576 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793367306 1134913273 /nfs/dbraw/zinc/91/32/73/1134913273.db2.gz WAJHKGDMRYJQTD-UHFFFAOYSA-N 1 2 347.890 3.576 20 10 EHCDLO C[C@@H]1C[C@H]([NH2+]CCc2ccc3cn[nH]c3c2)c2c1c(F)ccc2O ZINC000793576009 1134961407 /nfs/dbraw/zinc/96/14/07/1134961407.db2.gz XBYKZFVZGYMSKO-BZNIZROVSA-N 1 2 325.387 3.788 20 10 EHCDLO CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cccc(Cl)c1O ZINC000806129796 1135396589 /nfs/dbraw/zinc/39/65/89/1135396589.db2.gz JZARGSXXHIRIAL-OAHLLOKOSA-N 1 2 333.819 3.777 20 10 EHCDLO CC[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cccc(Cl)c1O ZINC000806149499 1135401601 /nfs/dbraw/zinc/40/16/01/1135401601.db2.gz UNXUWSNWZKIOOH-IEBWSBKVSA-N 1 2 331.843 3.920 20 10 EHCDLO CNC(=O)c1ccc(C[N@H+](Cc2cccc(Cl)c2O)C2CC2)cc1 ZINC000775650090 1135416875 /nfs/dbraw/zinc/41/68/75/1135416875.db2.gz QHZWGQIXZRAHDD-UHFFFAOYSA-N 1 2 344.842 3.570 20 10 EHCDLO CNC(=O)c1ccc(C[N@@H+](Cc2cccc(Cl)c2O)C2CC2)cc1 ZINC000775650090 1135416877 /nfs/dbraw/zinc/41/68/77/1135416877.db2.gz QHZWGQIXZRAHDD-UHFFFAOYSA-N 1 2 344.842 3.570 20 10 EHCDLO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cccc(Cl)c2O)C1 ZINC000775723272 1135573535 /nfs/dbraw/zinc/57/35/35/1135573535.db2.gz DZSQFTNCSBDJQR-KRWDZBQOSA-N 1 2 330.859 3.752 20 10 EHCDLO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cccc(Cl)c2O)C1 ZINC000775723272 1135573538 /nfs/dbraw/zinc/57/35/38/1135573538.db2.gz DZSQFTNCSBDJQR-KRWDZBQOSA-N 1 2 330.859 3.752 20 10 EHCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C)c1 ZINC000809634687 1135863534 /nfs/dbraw/zinc/86/35/34/1135863534.db2.gz KYAVKAOXQRPFEE-CJNGLKHVSA-N 1 2 337.460 3.808 20 10 EHCDLO C[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1Cc1ccccc1 ZINC000809784469 1135891174 /nfs/dbraw/zinc/89/11/74/1135891174.db2.gz KQTXGQZYWNTROQ-ACJLOTCBSA-N 1 2 348.849 3.937 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000717015745 1135927058 /nfs/dbraw/zinc/92/70/58/1135927058.db2.gz NYBUFPCETDLEHK-ZDUSSCGKSA-N 1 2 340.261 3.736 20 10 EHCDLO CCC[N@H+](CC)C[C@@H](C)NCc1cc(C)cc(Br)c1O ZINC000810179899 1135934666 /nfs/dbraw/zinc/93/46/66/1135934666.db2.gz HYAWFBPLXUWUAT-CYBMUJFWSA-N 1 2 343.309 3.673 20 10 EHCDLO CCC[N@@H+](CC)C[C@@H](C)NCc1cc(C)cc(Br)c1O ZINC000810179899 1135934669 /nfs/dbraw/zinc/93/46/69/1135934669.db2.gz HYAWFBPLXUWUAT-CYBMUJFWSA-N 1 2 343.309 3.673 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC001201496977 1136028698 /nfs/dbraw/zinc/02/86/98/1136028698.db2.gz BLPOZVMFDMUEHV-UHFFFAOYSA-N 1 2 339.439 3.723 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2c(F)c(F)c(C(N)=O)c(F)c2F)cc1 ZINC001201497501 1136028899 /nfs/dbraw/zinc/02/88/99/1136028899.db2.gz GMFFQQONMYXQIX-UHFFFAOYSA-N 1 2 341.308 3.906 20 10 EHCDLO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000850514857 1136275358 /nfs/dbraw/zinc/27/53/58/1136275358.db2.gz QRSJOUARVDGSPT-FBIMIBRVSA-N 1 2 332.213 3.512 20 10 EHCDLO Cc1cc(C(=O)C[N@@H+](C)CC2=CCCOC2)c(C)n1-c1ccccc1 ZINC000852518819 1136461439 /nfs/dbraw/zinc/46/14/39/1136461439.db2.gz PDCFDPVASHOKLE-UHFFFAOYSA-N 1 2 338.451 3.555 20 10 EHCDLO Cc1cc(C(=O)C[N@H+](C)CC2=CCCOC2)c(C)n1-c1ccccc1 ZINC000852518819 1136461441 /nfs/dbraw/zinc/46/14/41/1136461441.db2.gz PDCFDPVASHOKLE-UHFFFAOYSA-N 1 2 338.451 3.555 20 10 EHCDLO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000815633676 1136619426 /nfs/dbraw/zinc/61/94/26/1136619426.db2.gz UHJPLWHYOKGRQA-DOMZBBRYSA-N 1 2 326.868 3.639 20 10 EHCDLO Cc1nc(C[NH2+]Cc2cc(Cl)c(F)cc2O)nc2ccccc12 ZINC000816545501 1136732163 /nfs/dbraw/zinc/73/21/63/1136732163.db2.gz STGSFHIPRGHYCZ-UHFFFAOYSA-N 1 2 331.778 3.726 20 10 EHCDLO CC[C@](C)([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nccs1 ZINC000858142598 1136943346 /nfs/dbraw/zinc/94/33/46/1136943346.db2.gz GXPXQSKLRISEOY-INIZCTEOSA-N 1 2 325.428 3.902 20 10 EHCDLO CCC(F)(F)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000858507808 1136974854 /nfs/dbraw/zinc/97/48/54/1136974854.db2.gz QSNNCSVBCABVSY-MRVPVSSYSA-N 1 2 338.192 3.859 20 10 EHCDLO Cc1nc(C[NH2+]Cc2cccc(Cl)c2O)sc1Br ZINC000824589460 1137144278 /nfs/dbraw/zinc/14/42/78/1137144278.db2.gz DEFZFHJOUKOMQG-UHFFFAOYSA-N 1 2 347.665 3.863 20 10 EHCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485570 1137146751 /nfs/dbraw/zinc/14/67/51/1137146751.db2.gz PSDKDLCYMLIVKU-GXTWGEPZSA-N 1 2 339.863 3.845 20 10 EHCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485570 1137146752 /nfs/dbraw/zinc/14/67/52/1137146752.db2.gz PSDKDLCYMLIVKU-GXTWGEPZSA-N 1 2 339.863 3.845 20 10 EHCDLO C/C=C\C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000862530184 1137148313 /nfs/dbraw/zinc/14/83/13/1137148313.db2.gz JZXLPPONZLLJID-IHWYPQMZSA-N 1 2 335.039 3.583 20 10 EHCDLO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000794829058 1137267644 /nfs/dbraw/zinc/26/76/44/1137267644.db2.gz DGBPLJFPWAYDFP-GHMZBOCLSA-N 1 2 347.272 3.675 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccns1 ZINC000715745048 1137477881 /nfs/dbraw/zinc/47/78/81/1137477881.db2.gz JMYJZWJAZNJQTH-SSDOTTSWSA-N 1 2 331.210 3.601 20 10 EHCDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2Cc2ccc(C)cc2O)o1 ZINC000876629867 1137657572 /nfs/dbraw/zinc/65/75/72/1137657572.db2.gz WSNDAWHYJNVYOX-GOSISDBHSA-N 1 2 335.407 3.692 20 10 EHCDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2Cc2ccc(C)cc2O)o1 ZINC000876629867 1137657573 /nfs/dbraw/zinc/65/75/73/1137657573.db2.gz WSNDAWHYJNVYOX-GOSISDBHSA-N 1 2 335.407 3.692 20 10 EHCDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000876804203 1137661845 /nfs/dbraw/zinc/66/18/45/1137661845.db2.gz NWXVFMWTHZFQHJ-JSGCOSHPSA-N 1 2 339.407 3.820 20 10 EHCDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000876804203 1137661846 /nfs/dbraw/zinc/66/18/46/1137661846.db2.gz NWXVFMWTHZFQHJ-JSGCOSHPSA-N 1 2 339.407 3.820 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877673759 1137685357 /nfs/dbraw/zinc/68/53/57/1137685357.db2.gz RECFUFAJWAVDNX-PBHICJAKSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877673759 1137685358 /nfs/dbraw/zinc/68/53/58/1137685358.db2.gz RECFUFAJWAVDNX-PBHICJAKSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877673836 1137685470 /nfs/dbraw/zinc/68/54/70/1137685470.db2.gz SNMFFUBCBZUPPS-RDJZCZTQSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877673836 1137685471 /nfs/dbraw/zinc/68/54/71/1137685471.db2.gz SNMFFUBCBZUPPS-RDJZCZTQSA-N 1 2 335.806 3.883 20 10 EHCDLO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000883081896 1137843891 /nfs/dbraw/zinc/84/38/91/1137843891.db2.gz QUPKPMYZPJODPQ-OCCSQVGLSA-N 1 2 346.240 3.587 20 10 EHCDLO CCN(CC)c1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1F ZINC000883306778 1137853682 /nfs/dbraw/zinc/85/36/82/1137853682.db2.gz DBQHFYFFLVHEKA-UHFFFAOYSA-N 1 2 328.435 3.631 20 10 EHCDLO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(C(F)(F)F)c1O ZINC000883311484 1137853951 /nfs/dbraw/zinc/85/39/51/1137853951.db2.gz BGFQLYGXQLDQCO-NSHDSACASA-N 1 2 337.345 3.931 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001204002773 1137882094 /nfs/dbraw/zinc/88/20/94/1137882094.db2.gz SYFJAWKQDWCAIL-UHFFFAOYSA-N 1 2 331.778 3.660 20 10 EHCDLO CCc1nnc([C@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000133553677 1137897935 /nfs/dbraw/zinc/89/79/35/1137897935.db2.gz OEGIGNIPTLLQLT-HNNXBMFYSA-N 1 2 328.460 3.815 20 10 EHCDLO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000133553677 1137897936 /nfs/dbraw/zinc/89/79/36/1137897936.db2.gz OEGIGNIPTLLQLT-HNNXBMFYSA-N 1 2 328.460 3.815 20 10 EHCDLO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCOC1)c1cccc(Cl)c1O ZINC000886788964 1138140664 /nfs/dbraw/zinc/14/06/64/1138140664.db2.gz LOXXKQODQIABIV-UHOFOFEASA-N 1 2 327.852 3.528 20 10 EHCDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179703871 1139776309 /nfs/dbraw/zinc/77/63/09/1139776309.db2.gz QEISTAXMUOINLF-UHFFFAOYSA-N 1 2 340.851 3.535 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1cccc(C)c1O)[C@H](C)c1ccccc1 ZINC000777440643 1140290131 /nfs/dbraw/zinc/29/01/31/1140290131.db2.gz IJWWUEOFNOMXLY-MRXNPFEDSA-N 1 2 327.424 3.827 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1cccc(C)c1O)[C@H](C)c1ccccc1 ZINC000777440643 1140290136 /nfs/dbraw/zinc/29/01/36/1140290136.db2.gz IJWWUEOFNOMXLY-MRXNPFEDSA-N 1 2 327.424 3.827 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000120216285 1014745246 /nfs/dbraw/zinc/74/52/46/1014745246.db2.gz KENNXKYGDKZDFO-GXSJLCMTSA-N 1 2 346.240 3.902 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC([NH+]2CCCC2)CC1 ZINC000127737104 1022391958 /nfs/dbraw/zinc/39/19/58/1022391958.db2.gz HZQGNCZEDLVIEF-UHFFFAOYSA-N 1 2 329.271 3.759 20 10 EHCDLO [O-]c1c(F)cc(F)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000894593839 1022604876 /nfs/dbraw/zinc/60/48/76/1022604876.db2.gz YAYLKKQJTMUPTO-UHFFFAOYSA-N 1 2 347.409 3.583 20 10 EHCDLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccccc1O ZINC000272810401 1027127175 /nfs/dbraw/zinc/12/71/75/1027127175.db2.gz CZDROAMOMHNRSI-ZNMIVQPWSA-N 1 2 327.428 3.574 20 10 EHCDLO C[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000302435269 1027153512 /nfs/dbraw/zinc/15/35/12/1027153512.db2.gz QINWSCUAVNHYOD-ZDUSSCGKSA-N 1 2 338.459 3.820 20 10 EHCDLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1F)c1ccccc1O ZINC000360012806 1030713412 /nfs/dbraw/zinc/71/34/12/1030713412.db2.gz DDTWXXBCAGDOBJ-FZKQIMNGSA-N 1 2 325.387 3.705 20 10 EHCDLO COc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1OC1CC1 ZINC000898214549 1033373901 /nfs/dbraw/zinc/37/39/01/1033373901.db2.gz DBQHUVUXSZAKJA-UHFFFAOYSA-N 1 2 333.815 3.885 20 10 EHCDLO CCO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000894047843 1040008589 /nfs/dbraw/zinc/00/85/89/1040008589.db2.gz XMYHKQHNEUVUKN-OLZOCXBDSA-N 1 2 328.250 3.592 20 10 EHCDLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1cc(Br)cc(F)c1O ZINC000756659153 1041749573 /nfs/dbraw/zinc/74/95/73/1041749573.db2.gz NQSWVEJSYUQFTA-QMMMGPOBSA-N 1 2 343.171 3.679 20 10 EHCDLO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1Cl ZINC000765679627 1127721566 /nfs/dbraw/zinc/72/15/66/1127721566.db2.gz TUJWXOZIVMYGPU-INIZCTEOSA-N 1 2 344.213 3.835 20 10 EHCDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c(O)cc1C ZINC000186947417 1129934853 /nfs/dbraw/zinc/93/48/53/1129934853.db2.gz FKHLFYDPHYGFDV-IBGZPJMESA-N 1 2 349.377 3.561 20 10 EHCDLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c(O)cc1C ZINC000186947417 1129934855 /nfs/dbraw/zinc/93/48/55/1129934855.db2.gz FKHLFYDPHYGFDV-IBGZPJMESA-N 1 2 349.377 3.561 20 10 EHCDLO CCOc1ccc(O)c(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000768765751 1133174219 /nfs/dbraw/zinc/17/42/19/1133174219.db2.gz GTVJSNCYQSFVKU-UHFFFAOYSA-N 1 2 340.398 3.970 20 10 EHCDLO CCOc1ccc(O)c(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000768765751 1133174221 /nfs/dbraw/zinc/17/42/21/1133174221.db2.gz GTVJSNCYQSFVKU-UHFFFAOYSA-N 1 2 340.398 3.970 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)c(C)c1 ZINC001204233083 1133211190 /nfs/dbraw/zinc/21/11/90/1133211190.db2.gz WFDBFCJSFXYRJO-UHFFFAOYSA-N 1 2 332.394 3.604 20 10 EHCDLO OCC[N@H+](Cc1cc(Cl)cc(Br)c1O)C1CCCC1 ZINC001180488293 1133375860 /nfs/dbraw/zinc/37/58/60/1133375860.db2.gz HIXGQVDZLAOZQE-UHFFFAOYSA-N 1 2 348.668 3.545 20 10 EHCDLO OCC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C1CCCC1 ZINC001180488293 1133375865 /nfs/dbraw/zinc/37/58/65/1133375865.db2.gz HIXGQVDZLAOZQE-UHFFFAOYSA-N 1 2 348.668 3.545 20 10 EHCDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(Cl)c1O ZINC001182450833 1133671060 /nfs/dbraw/zinc/67/10/60/1133671060.db2.gz ADCKOCGEYBVQFV-GXTWGEPZSA-N 1 2 339.863 3.988 20 10 EHCDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(Cl)c1O ZINC001182450833 1133671063 /nfs/dbraw/zinc/67/10/63/1133671063.db2.gz ADCKOCGEYBVQFV-GXTWGEPZSA-N 1 2 339.863 3.988 20 10 EHCDLO COCC[N@H+](Cc1cccs1)Cc1c(O)ccc(Cl)c1F ZINC000792156730 1134658830 /nfs/dbraw/zinc/65/88/30/1134658830.db2.gz MDDOZGUPTPFHTE-UHFFFAOYSA-N 1 2 329.824 3.895 20 10 EHCDLO COCC[N@@H+](Cc1cccs1)Cc1c(O)ccc(Cl)c1F ZINC000792156730 1134658833 /nfs/dbraw/zinc/65/88/33/1134658833.db2.gz MDDOZGUPTPFHTE-UHFFFAOYSA-N 1 2 329.824 3.895 20 10 EHCDLO CC[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cccc(Cl)c1O ZINC000806134787 1135389015 /nfs/dbraw/zinc/38/90/15/1135389015.db2.gz NXRZTVPAYAOFHU-CQSZACIVSA-N 1 2 333.819 3.510 20 10 EHCDLO CC[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1cccc(Cl)c1O ZINC000806135325 1135389932 /nfs/dbraw/zinc/38/99/32/1135389932.db2.gz ILTVVEBKRXLQAC-KRWDZBQOSA-N 1 2 346.858 3.793 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cccc(Cl)c1O ZINC000806130264 1135397398 /nfs/dbraw/zinc/39/73/98/1135397398.db2.gz UJMFMJOZEFKBPF-CXAGYDPISA-N 1 2 335.831 3.526 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000775653767 1135418661 /nfs/dbraw/zinc/41/86/61/1135418661.db2.gz BGCYJZPVYZJXFN-LLVKDONJSA-N 1 2 341.732 3.728 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000775653767 1135418666 /nfs/dbraw/zinc/41/86/66/1135418666.db2.gz BGCYJZPVYZJXFN-LLVKDONJSA-N 1 2 341.732 3.728 20 10 EHCDLO CCOC(=O)CCC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775726924 1135584072 /nfs/dbraw/zinc/58/40/72/1135584072.db2.gz BDOZJIDOHWHOFJ-UHFFFAOYSA-N 1 2 343.826 3.740 20 10 EHCDLO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000809703515 1135874351 /nfs/dbraw/zinc/87/43/51/1135874351.db2.gz LKQFEYYIGOYQNJ-RISCZKNCSA-N 1 2 329.271 3.758 20 10 EHCDLO COC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(F)c(F)c1 ZINC001201770315 1136062015 /nfs/dbraw/zinc/06/20/15/1136062015.db2.gz RMUYGBHDXTVKBQ-HNNXBMFYSA-N 1 2 345.748 3.940 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518483 1136098453 /nfs/dbraw/zinc/09/84/53/1136098453.db2.gz LQBOLCROBGGWOA-ZBFHGGJFSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518483 1136098456 /nfs/dbraw/zinc/09/84/56/1136098456.db2.gz LQBOLCROBGGWOA-ZBFHGGJFSA-N 1 2 325.811 3.718 20 10 EHCDLO CC1(C)C[N@H+](Cc2cccc(Br)c2O)[C@@H]1[C@@H]1CCCO1 ZINC000811511099 1136102169 /nfs/dbraw/zinc/10/21/69/1136102169.db2.gz VAGZIJFNISCILU-DZGCQCFKSA-N 1 2 340.261 3.544 20 10 EHCDLO CC1(C)C[N@@H+](Cc2cccc(Br)c2O)[C@@H]1[C@@H]1CCCO1 ZINC000811511099 1136102172 /nfs/dbraw/zinc/10/21/72/1136102172.db2.gz VAGZIJFNISCILU-DZGCQCFKSA-N 1 2 340.261 3.544 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc([S@@](C)=O)cc1 ZINC000776253113 1136102435 /nfs/dbraw/zinc/10/24/35/1136102435.db2.gz RZKHEQAOIJPYNW-ZQJOYCHOSA-N 1 2 341.835 3.773 20 10 EHCDLO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000776255424 1136111344 /nfs/dbraw/zinc/11/13/44/1136111344.db2.gz DFUBUYBVCYDAKN-KZULUSFZSA-N 1 2 335.831 3.920 20 10 EHCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000812300494 1136196695 /nfs/dbraw/zinc/19/66/95/1136196695.db2.gz QSXQJBUECMYIOZ-UHFFFAOYSA-N 1 2 329.403 3.911 20 10 EHCDLO Oc1ccc2ccncc2c1C[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000812300494 1136196698 /nfs/dbraw/zinc/19/66/98/1136196698.db2.gz QSXQJBUECMYIOZ-UHFFFAOYSA-N 1 2 329.403 3.911 20 10 EHCDLO COC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(OC)c1 ZINC000850362167 1136241070 /nfs/dbraw/zinc/24/10/70/1136241070.db2.gz IMGZYPBRMNXEPB-OAHLLOKOSA-N 1 2 339.794 3.671 20 10 EHCDLO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cc(F)cc(F)c1O ZINC000813883791 1136372477 /nfs/dbraw/zinc/37/24/77/1136372477.db2.gz OKMHIPMBYDZESA-AAEUAGOBSA-N 1 2 336.357 3.739 20 10 EHCDLO Cc1cc(C[N@H+](C)Cc2nccn2Cc2ccccc2)ccc1N(C)C ZINC000815054576 1136540724 /nfs/dbraw/zinc/54/07/24/1136540724.db2.gz MIXPQGDIZJGWQD-UHFFFAOYSA-N 1 2 348.494 3.938 20 10 EHCDLO Cc1cc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)ccc1N(C)C ZINC000815054576 1136540726 /nfs/dbraw/zinc/54/07/26/1136540726.db2.gz MIXPQGDIZJGWQD-UHFFFAOYSA-N 1 2 348.494 3.938 20 10 EHCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000853611885 1136549722 /nfs/dbraw/zinc/54/97/22/1136549722.db2.gz ZDENRWUKAKBKTK-ZDUSSCGKSA-N 1 2 347.377 3.549 20 10 EHCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000853611885 1136549726 /nfs/dbraw/zinc/54/97/26/1136549726.db2.gz ZDENRWUKAKBKTK-ZDUSSCGKSA-N 1 2 347.377 3.549 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc(Cl)c2O)[C@@H]1n1cccn1 ZINC000815660896 1136623222 /nfs/dbraw/zinc/62/32/22/1136623222.db2.gz NECPLEWNJMBSGV-TWMKSMIVSA-N 1 2 349.862 3.702 20 10 EHCDLO CCn1c(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)nc2ccccc21 ZINC000858127129 1136941937 /nfs/dbraw/zinc/94/19/37/1136941937.db2.gz AMCTZDZTJLPJBA-UHFFFAOYSA-N 1 2 344.409 3.690 20 10 EHCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000824644094 1137145822 /nfs/dbraw/zinc/14/58/22/1137145822.db2.gz MUXIWMLZWKNQPF-UWVGGRQHSA-N 1 2 346.830 3.576 20 10 EHCDLO Cc1cc(Cl)cc(C[N@H+](C)Cc2csc(C(C)(C)O)n2)c1O ZINC000825153879 1137168113 /nfs/dbraw/zinc/16/81/13/1137168113.db2.gz UFMBPRUGJKQBDD-UHFFFAOYSA-N 1 2 340.876 3.670 20 10 EHCDLO Cc1cc(Cl)cc(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)c1O ZINC000825153879 1137168114 /nfs/dbraw/zinc/16/81/14/1137168114.db2.gz UFMBPRUGJKQBDD-UHFFFAOYSA-N 1 2 340.876 3.670 20 10 EHCDLO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000794829060 1137267627 /nfs/dbraw/zinc/26/76/27/1137267627.db2.gz DGBPLJFPWAYDFP-MNOVXSKESA-N 1 2 347.272 3.675 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC=C(c3ccccn3)C2)c1O ZINC000846922400 1137375403 /nfs/dbraw/zinc/37/54/03/1137375403.db2.gz WLLNWLFFUXOGJE-UHFFFAOYSA-N 1 2 342.826 3.933 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC=C(c3ccccn3)C2)c1O ZINC000846922400 1137375404 /nfs/dbraw/zinc/37/54/04/1137375404.db2.gz WLLNWLFFUXOGJE-UHFFFAOYSA-N 1 2 342.826 3.933 20 10 EHCDLO CS[C@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715760680 1137477968 /nfs/dbraw/zinc/47/79/68/1137477968.db2.gz PMJGYMZBSFSNCY-QWRGUYRKSA-N 1 2 334.254 3.668 20 10 EHCDLO CC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000883027042 1137842115 /nfs/dbraw/zinc/84/21/15/1137842115.db2.gz NMNSKKQOZQJMIP-AWEZNQCLSA-N 1 2 346.240 3.589 20 10 EHCDLO C[C@H]1C[C@@H](CC[NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000883087029 1137844138 /nfs/dbraw/zinc/84/41/38/1137844138.db2.gz LSURWXIYVYICPC-QWRGUYRKSA-N 1 2 346.240 3.589 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nccn1-c1ccccc1 ZINC001202619348 1137887961 /nfs/dbraw/zinc/88/79/61/1137887961.db2.gz SUNBIFVTHDMMRA-LBPRGKRZSA-N 1 2 329.350 3.707 20 10 EHCDLO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000133553506 1137897947 /nfs/dbraw/zinc/89/79/47/1137897947.db2.gz OEGIGNIPTLLQLT-OAHLLOKOSA-N 1 2 328.460 3.815 20 10 EHCDLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000133553506 1137897948 /nfs/dbraw/zinc/89/79/48/1137897948.db2.gz OEGIGNIPTLLQLT-OAHLLOKOSA-N 1 2 328.460 3.815 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nc(C2CCCCC2)no1 ZINC000173861994 1139382827 /nfs/dbraw/zinc/38/28/27/1139382827.db2.gz LQRPXDIVPHCCSR-CYBMUJFWSA-N 1 2 327.428 3.903 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(Cl)c1O ZINC000376834706 1017154414 /nfs/dbraw/zinc/15/44/14/1017154414.db2.gz OWIYNDGNYHHCBE-MLGOLLRUSA-N 1 2 349.837 3.899 20 10 EHCDLO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(Br)c1O ZINC000049157665 1019072369 /nfs/dbraw/zinc/07/23/69/1019072369.db2.gz LVFUOGSXOTTXID-JTQLQIEISA-N 1 2 326.259 3.937 20 10 EHCDLO CN(C(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1)c1ccccc1 ZINC000281072550 1024629250 /nfs/dbraw/zinc/62/92/50/1024629250.db2.gz INRRCEVXGYRYNX-HNNXBMFYSA-N 1 2 344.842 3.531 20 10 EHCDLO CN(C(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1)c1ccccc1 ZINC000281072550 1024629256 /nfs/dbraw/zinc/62/92/56/1024629256.db2.gz INRRCEVXGYRYNX-HNNXBMFYSA-N 1 2 344.842 3.531 20 10 EHCDLO COC1(OC)CC2(C[N@H+](Cc3cccc(Cl)c3O)[C@H]2C(C)C)C1 ZINC000895989756 1025046737 /nfs/dbraw/zinc/04/67/37/1025046737.db2.gz OTTQKMNHGAUQQO-INIZCTEOSA-N 1 2 339.863 3.655 20 10 EHCDLO COC1(OC)CC2(C[N@@H+](Cc3cccc(Cl)c3O)[C@H]2C(C)C)C1 ZINC000895989756 1025046747 /nfs/dbraw/zinc/04/67/47/1025046747.db2.gz OTTQKMNHGAUQQO-INIZCTEOSA-N 1 2 339.863 3.655 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000896825170 1026099477 /nfs/dbraw/zinc/09/94/77/1026099477.db2.gz QHNCTAGCEVAFCO-UHFFFAOYSA-N 1 2 326.824 3.810 20 10 EHCDLO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000897042560 1026275383 /nfs/dbraw/zinc/27/53/83/1026275383.db2.gz IGQUIBIUOJRSSV-CABZTGNLSA-N 1 2 339.798 3.556 20 10 EHCDLO Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273499052 1027460003 /nfs/dbraw/zinc/46/00/03/1027460003.db2.gz YIZPXZSVRGNSDA-ZDUSSCGKSA-N 1 2 329.400 3.844 20 10 EHCDLO Cc1cc(Cl)cc(C[N@H+](C)Cc2nccn2CC(F)(F)F)c1O ZINC000271718493 1029138918 /nfs/dbraw/zinc/13/89/18/1029138918.db2.gz JBRVRNYXIJOASX-UHFFFAOYSA-N 1 2 347.768 3.745 20 10 EHCDLO Cc1cc(Cl)cc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c1O ZINC000271718493 1029138928 /nfs/dbraw/zinc/13/89/28/1029138928.db2.gz JBRVRNYXIJOASX-UHFFFAOYSA-N 1 2 347.768 3.745 20 10 EHCDLO CCc1nnc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)[nH]1 ZINC000160174473 1030573033 /nfs/dbraw/zinc/57/30/33/1030573033.db2.gz QCNSSGUXDMQONS-OAHLLOKOSA-N 1 2 336.439 3.836 20 10 EHCDLO CCc1nnc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)[nH]1 ZINC000160174473 1030573048 /nfs/dbraw/zinc/57/30/48/1030573048.db2.gz QCNSSGUXDMQONS-OAHLLOKOSA-N 1 2 336.439 3.836 20 10 EHCDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(Cl)c1O ZINC000898219840 1033376347 /nfs/dbraw/zinc/37/63/47/1033376347.db2.gz NNUFLCGVZVBHTI-UHFFFAOYSA-N 1 2 336.775 3.642 20 10 EHCDLO Oc1c(Cl)cccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186589517 1035662355 /nfs/dbraw/zinc/66/23/55/1035662355.db2.gz ULRYJRLQBHWSCW-UHFFFAOYSA-N 1 2 349.833 3.754 20 10 EHCDLO C[C@]1(CF)CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367967 1042663111 /nfs/dbraw/zinc/66/31/11/1042663111.db2.gz YMDPLIMHRHJONI-CYBMUJFWSA-N 1 2 336.632 3.990 20 10 EHCDLO C[C@]1(CF)CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367967 1042663113 /nfs/dbraw/zinc/66/31/13/1042663113.db2.gz YMDPLIMHRHJONI-CYBMUJFWSA-N 1 2 336.632 3.990 20 10 EHCDLO COC(=O)C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(C)c(C)cc1O ZINC000921188353 1123480621 /nfs/dbraw/zinc/48/06/21/1123480621.db2.gz YZQDMLUEHFYZCR-UHFFFAOYSA-N 1 2 347.842 3.838 20 10 EHCDLO COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(C)c(C)cc1O ZINC000921188353 1123480625 /nfs/dbraw/zinc/48/06/25/1123480625.db2.gz YZQDMLUEHFYZCR-UHFFFAOYSA-N 1 2 347.842 3.838 20 10 EHCDLO Oc1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000179564454 1123798528 /nfs/dbraw/zinc/79/85/28/1123798528.db2.gz KECHFSIZHPOIEB-KRWDZBQOSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1ccccc1C[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000179564454 1123798532 /nfs/dbraw/zinc/79/85/32/1123798532.db2.gz KECHFSIZHPOIEB-KRWDZBQOSA-N 1 2 348.240 3.728 20 10 EHCDLO CCOCc1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)ccc1OC ZINC000922524120 1129562034 /nfs/dbraw/zinc/56/20/34/1129562034.db2.gz AZXOMEJICINJIW-XLIONFOSSA-N 1 2 345.414 3.793 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2nc(C3CC3)no2)cc1 ZINC000738300615 1131467300 /nfs/dbraw/zinc/46/73/00/1131467300.db2.gz YXJDCYKEYRAKFM-AWEZNQCLSA-N 1 2 328.460 3.986 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)c2nc(C3CC3)no2)cc1 ZINC000738300615 1131467301 /nfs/dbraw/zinc/46/73/01/1131467301.db2.gz YXJDCYKEYRAKFM-AWEZNQCLSA-N 1 2 328.460 3.986 20 10 EHCDLO O=C(C[N@@H+]1CCCOCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000746385977 1132504098 /nfs/dbraw/zinc/50/40/98/1132504098.db2.gz JRUAXFAWVWXSBX-UHFFFAOYSA-N 1 2 338.411 3.763 20 10 EHCDLO O=C(C[N@H+]1CCCOCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000746385977 1132504101 /nfs/dbraw/zinc/50/41/01/1132504101.db2.gz JRUAXFAWVWXSBX-UHFFFAOYSA-N 1 2 338.411 3.763 20 10 EHCDLO Oc1ccc(CNc2[nH+]cccc2OCc2ccccc2F)cc1O ZINC001169990879 1133126345 /nfs/dbraw/zinc/12/63/45/1133126345.db2.gz SXNJFRWSCUZXDQ-UHFFFAOYSA-N 1 2 340.354 3.823 20 10 EHCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000768359165 1133129349 /nfs/dbraw/zinc/12/93/49/1133129349.db2.gz ALMNJZXAJVNLCO-HNNXBMFYSA-N 1 2 333.229 3.887 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000768359165 1133129351 /nfs/dbraw/zinc/12/93/51/1133129351.db2.gz ALMNJZXAJVNLCO-HNNXBMFYSA-N 1 2 333.229 3.887 20 10 EHCDLO C[C@@H]1[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1(C)C ZINC000769450977 1133292779 /nfs/dbraw/zinc/29/27/79/1133292779.db2.gz FFQKHSJGLVZXMA-HNNXBMFYSA-N 1 2 347.459 3.584 20 10 EHCDLO C[C@@H]1[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1(C)C ZINC000769450977 1133292783 /nfs/dbraw/zinc/29/27/83/1133292783.db2.gz FFQKHSJGLVZXMA-HNNXBMFYSA-N 1 2 347.459 3.584 20 10 EHCDLO COc1ccc2c(c1)CCC[N@H+]2CC(C)(C)CNC(=O)OC(C)(C)C ZINC001180715809 1133406249 /nfs/dbraw/zinc/40/62/49/1133406249.db2.gz HRCWRTDVTJOCGV-UHFFFAOYSA-N 1 2 348.487 3.999 20 10 EHCDLO COc1ccc2c(c1)CCC[N@@H+]2CC(C)(C)CNC(=O)OC(C)(C)C ZINC001180715809 1133406253 /nfs/dbraw/zinc/40/62/53/1133406253.db2.gz HRCWRTDVTJOCGV-UHFFFAOYSA-N 1 2 348.487 3.999 20 10 EHCDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2O)C[C@](C)(C(F)(F)F)O1 ZINC001182033236 1133564371 /nfs/dbraw/zinc/56/43/71/1133564371.db2.gz PFUAMERRSHLULK-CQSZACIVSA-N 1 2 337.769 3.977 20 10 EHCDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2O)C[C@](C)(C(F)(F)F)O1 ZINC001182033236 1133564376 /nfs/dbraw/zinc/56/43/76/1133564376.db2.gz PFUAMERRSHLULK-CQSZACIVSA-N 1 2 337.769 3.977 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3sccc3Cl)CC2)cc1F ZINC000787204886 1133974923 /nfs/dbraw/zinc/97/49/23/1133974923.db2.gz AFXJZZPNTYWZOT-UHFFFAOYSA-N 1 2 340.851 3.871 20 10 EHCDLO CCSCc1cc[nH+]c(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000775037658 1134238117 /nfs/dbraw/zinc/23/81/17/1134238117.db2.gz BWKPNVOXXXQLIE-UHFFFAOYSA-N 1 2 349.412 3.569 20 10 EHCDLO COc1ccc(N2CC[C@@H](Nc3cc(C)[nH+]c(C4CCC4)n3)C2)cc1 ZINC001186999741 1134285336 /nfs/dbraw/zinc/28/53/36/1134285336.db2.gz UUOQQLQQCDTAAX-MRXNPFEDSA-N 1 2 338.455 3.752 20 10 EHCDLO CC(C)[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)COc1ccccc1 ZINC000775201611 1134511226 /nfs/dbraw/zinc/51/12/26/1134511226.db2.gz WBNXLJACONWATP-MRXNPFEDSA-N 1 2 349.858 3.696 20 10 EHCDLO CC(C)[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)COc1ccccc1 ZINC000775201611 1134511232 /nfs/dbraw/zinc/51/12/32/1134511232.db2.gz WBNXLJACONWATP-MRXNPFEDSA-N 1 2 349.858 3.696 20 10 EHCDLO Cc1ccccc1-c1nc(C[NH2+]Cc2cc(Cl)ccc2O)no1 ZINC000792175105 1134663350 /nfs/dbraw/zinc/66/33/50/1134663350.db2.gz QOJSHYJICWOWBN-UHFFFAOYSA-N 1 2 329.787 3.694 20 10 EHCDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)cc1F ZINC000775644121 1135385759 /nfs/dbraw/zinc/38/57/59/1135385759.db2.gz BBENSESBNIVNIO-UHFFFAOYSA-N 1 2 327.758 3.964 20 10 EHCDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)cc1F ZINC000775644121 1135385762 /nfs/dbraw/zinc/38/57/62/1135385762.db2.gz BBENSESBNIVNIO-UHFFFAOYSA-N 1 2 327.758 3.964 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806133028 1135388249 /nfs/dbraw/zinc/38/82/49/1135388249.db2.gz FOHZNBSBQOSBTG-MAUKXSAKSA-N 1 2 333.859 3.938 20 10 EHCDLO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cccc(Cl)c1O ZINC000806147303 1135400926 /nfs/dbraw/zinc/40/09/26/1135400926.db2.gz HNBXRTSVGLIPJU-QGZVFWFLSA-N 1 2 342.830 3.867 20 10 EHCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)OC(C)(C)C)c1 ZINC000809634688 1135863368 /nfs/dbraw/zinc/86/33/68/1135863368.db2.gz KYAVKAOXQRPFEE-CZUORRHYSA-N 1 2 337.460 3.808 20 10 EHCDLO COCC1(C[NH2+]Cc2cccc(Br)c2O)CCCCC1 ZINC000810177521 1135934552 /nfs/dbraw/zinc/93/45/52/1135934552.db2.gz HDQLMPJFBNONSW-UHFFFAOYSA-N 1 2 342.277 3.841 20 10 EHCDLO Cc1cc(Br)cc([C@@H](C)N[C@H](C)C[N@@H+](C)C(C)C)c1O ZINC000810254195 1135948792 /nfs/dbraw/zinc/94/87/92/1135948792.db2.gz JXQJTADGNOMOKV-CHWSQXEVSA-N 1 2 343.309 3.842 20 10 EHCDLO Cc1cc(Br)cc([C@@H](C)N[C@H](C)C[N@H+](C)C(C)C)c1O ZINC000810254195 1135948793 /nfs/dbraw/zinc/94/87/93/1135948793.db2.gz JXQJTADGNOMOKV-CHWSQXEVSA-N 1 2 343.309 3.842 20 10 EHCDLO COc1cc(S(C)(=O)=O)ccc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201498968 1136028786 /nfs/dbraw/zinc/02/87/86/1136028786.db2.gz INECAVJAOZUFHM-UHFFFAOYSA-N 1 2 334.441 3.663 20 10 EHCDLO COC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(F)c(F)c1 ZINC001201770317 1136061600 /nfs/dbraw/zinc/06/16/00/1136061600.db2.gz RMUYGBHDXTVKBQ-OAHLLOKOSA-N 1 2 345.748 3.940 20 10 EHCDLO Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1O ZINC000776254658 1136102912 /nfs/dbraw/zinc/10/29/12/1136102912.db2.gz KBHBGRSVSYJOIQ-SFHVURJKSA-N 1 2 341.451 3.743 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CCCC(F)(F)F)C1 ZINC001202425340 1136139977 /nfs/dbraw/zinc/13/99/77/1136139977.db2.gz ZQRTWCKEXHBHGG-UHFFFAOYSA-N 1 2 326.362 3.888 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](CCCC(F)(F)F)C1 ZINC001202425340 1136139978 /nfs/dbraw/zinc/13/99/78/1136139978.db2.gz ZQRTWCKEXHBHGG-UHFFFAOYSA-N 1 2 326.362 3.888 20 10 EHCDLO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Br)c(F)cc1O ZINC000850570906 1136288802 /nfs/dbraw/zinc/28/88/02/1136288802.db2.gz JXFKEESFYOCFDM-UWVGGRQHSA-N 1 2 346.240 3.760 20 10 EHCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816490709 1136724662 /nfs/dbraw/zinc/72/46/62/1136724662.db2.gz CXVRTSUCUMAMPO-UHFFFAOYSA-N 1 2 335.403 3.721 20 10 EHCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816490709 1136724666 /nfs/dbraw/zinc/72/46/66/1136724666.db2.gz CXVRTSUCUMAMPO-UHFFFAOYSA-N 1 2 335.403 3.721 20 10 EHCDLO CCCCN(Cc1ccccc1O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817784950 1136839746 /nfs/dbraw/zinc/83/97/46/1136839746.db2.gz FWTWUNGQGIADKX-UHFFFAOYSA-N 1 2 341.455 3.916 20 10 EHCDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000858012666 1136930591 /nfs/dbraw/zinc/93/05/91/1136930591.db2.gz KQBYIUSRBASPPI-AWEZNQCLSA-N 1 2 336.794 3.541 20 10 EHCDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000858012666 1136930593 /nfs/dbraw/zinc/93/05/93/1136930593.db2.gz KQBYIUSRBASPPI-AWEZNQCLSA-N 1 2 336.794 3.541 20 10 EHCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)N1c2ccccc2C[C@H]1C ZINC000825112964 1137165970 /nfs/dbraw/zinc/16/59/70/1137165970.db2.gz XHNQFDRSFHMKDY-CHWSQXEVSA-N 1 2 344.842 3.502 20 10 EHCDLO C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000846203546 1137341714 /nfs/dbraw/zinc/34/17/14/1137341714.db2.gz HXCSGDHRAPMNTI-UWVGGRQHSA-N 1 2 346.240 3.760 20 10 EHCDLO Cc1[nH+]cn(-c2ccc(NCc3cc4ccccc4cc3O)nn2)c1C ZINC001171401899 1137471873 /nfs/dbraw/zinc/47/18/73/1137471873.db2.gz ABUCFOJIRIIFCD-UHFFFAOYSA-N 1 2 345.406 3.750 20 10 EHCDLO CS[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715760684 1137477976 /nfs/dbraw/zinc/47/79/76/1137477976.db2.gz PMJGYMZBSFSNCY-WDEREUQCSA-N 1 2 334.254 3.668 20 10 EHCDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876795606 1137661434 /nfs/dbraw/zinc/66/14/34/1137661434.db2.gz RYJASQQTMVSNEU-BGJPBQGDSA-N 1 2 339.407 3.601 20 10 EHCDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876795606 1137661435 /nfs/dbraw/zinc/66/14/35/1137661435.db2.gz RYJASQQTMVSNEU-BGJPBQGDSA-N 1 2 339.407 3.601 20 10 EHCDLO COC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(Cl)cc1 ZINC000877483487 1137677867 /nfs/dbraw/zinc/67/78/67/1137677867.db2.gz NZCUGMJYGAGXHC-CQSZACIVSA-N 1 2 327.758 3.801 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672668 1137685202 /nfs/dbraw/zinc/68/52/02/1137685202.db2.gz KDWTZJNXYCIELX-BBRMVZONSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672668 1137685203 /nfs/dbraw/zinc/68/52/03/1137685203.db2.gz KDWTZJNXYCIELX-BBRMVZONSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877673833 1137685296 /nfs/dbraw/zinc/68/52/96/1137685296.db2.gz SNMFFUBCBZUPPS-DOTOQJQBSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877673833 1137685297 /nfs/dbraw/zinc/68/52/97/1137685297.db2.gz SNMFFUBCBZUPPS-DOTOQJQBSA-N 1 2 335.806 3.883 20 10 EHCDLO Cc1cc(O)c(C[N@@H+](C)Cc2nc([C@H](C)OCC(C)C)no2)cc1C ZINC000072917407 1138109021 /nfs/dbraw/zinc/10/90/21/1138109021.db2.gz NYTPRUOQESTMCT-HNNXBMFYSA-N 1 2 347.459 3.758 20 10 EHCDLO Cc1cc(O)c(C[N@H+](C)Cc2nc([C@H](C)OCC(C)C)no2)cc1C ZINC000072917407 1138109022 /nfs/dbraw/zinc/10/90/22/1138109022.db2.gz NYTPRUOQESTMCT-HNNXBMFYSA-N 1 2 347.459 3.758 20 10 EHCDLO O=C(Nc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179611450 1139768909 /nfs/dbraw/zinc/76/89/09/1139768909.db2.gz AWRGFSJFOODRJO-UHFFFAOYSA-N 1 2 344.842 3.896 20 10 EHCDLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182496301 1139975913 /nfs/dbraw/zinc/97/59/13/1139975913.db2.gz WDIJRXYDUAKDCI-HNNXBMFYSA-N 1 2 343.446 3.901 20 10 EHCDLO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000185766908 1140168523 /nfs/dbraw/zinc/16/85/23/1140168523.db2.gz VXDMSGVAUKXDHA-STQMWFEESA-N 1 2 339.395 3.863 20 10 EHCDLO CC(=O)c1cc(Cl)cc(CN(C)C2CC[NH+](C(C)C)CC2)c1O ZINC000267429914 1140790287 /nfs/dbraw/zinc/79/02/87/1140790287.db2.gz YKQCCODGSLNINJ-UHFFFAOYSA-N 1 2 338.879 3.553 20 10 EHCDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c(O)cccc1Cl ZINC000269364403 1141098521 /nfs/dbraw/zinc/09/85/21/1141098521.db2.gz QGDZDXQPDZHOGC-UHFFFAOYSA-N 1 2 348.830 3.515 20 10 EHCDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c(O)cccc1Cl ZINC000269364403 1141098529 /nfs/dbraw/zinc/09/85/29/1141098529.db2.gz QGDZDXQPDZHOGC-UHFFFAOYSA-N 1 2 348.830 3.515 20 10 EHCDLO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000721837174 1025957816 /nfs/dbraw/zinc/95/78/16/1025957816.db2.gz LHOHAPBQINDLJW-TZMCWYRMSA-N 1 2 342.277 3.838 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000896812459 1026059648 /nfs/dbraw/zinc/05/96/48/1026059648.db2.gz VDXIWMJUFZVSDR-CMPLNLGQSA-N 1 2 341.732 3.774 20 10 EHCDLO Cc1nc(C(C)(C)[NH2+]Cc2c3c(ccc2O)oc2c3CCCC2)no1 ZINC000729848723 1030759822 /nfs/dbraw/zinc/75/98/22/1030759822.db2.gz KQLGSIIZJPORSZ-UHFFFAOYSA-N 1 2 341.411 3.734 20 10 EHCDLO COc1cccc(CNc2[nH+]cccc2OCc2ccccc2)c1O ZINC000760514528 1033703706 /nfs/dbraw/zinc/70/37/06/1033703706.db2.gz FZXSSFUMPNOASB-UHFFFAOYSA-N 1 2 336.391 3.987 20 10 EHCDLO CC(C)OC1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000130244090 1037223074 /nfs/dbraw/zinc/22/30/74/1037223074.db2.gz GIGKCRIWRZMVEL-UHFFFAOYSA-N 1 2 342.277 3.981 20 10 EHCDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894083781 1040040908 /nfs/dbraw/zinc/04/09/08/1040040908.db2.gz FOEYCUIJQCLQHZ-RULNZOCKSA-N 1 2 339.407 3.601 20 10 EHCDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894083781 1040040923 /nfs/dbraw/zinc/04/09/23/1040040923.db2.gz FOEYCUIJQCLQHZ-RULNZOCKSA-N 1 2 339.407 3.601 20 10 EHCDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894083513 1040041739 /nfs/dbraw/zinc/04/17/39/1040041739.db2.gz FOEYCUIJQCLQHZ-BGJPBQGDSA-N 1 2 339.407 3.601 20 10 EHCDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894083513 1040041746 /nfs/dbraw/zinc/04/17/46/1040041746.db2.gz FOEYCUIJQCLQHZ-BGJPBQGDSA-N 1 2 339.407 3.601 20 10 EHCDLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1=CC(=O)CS1 ZINC000907815956 1040184153 /nfs/dbraw/zinc/18/41/53/1040184153.db2.gz PDEAZCMSALHSLW-LBPRGKRZSA-N 1 2 345.468 3.512 20 10 EHCDLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1=CC(=O)CS1 ZINC000907815956 1040184162 /nfs/dbraw/zinc/18/41/62/1040184162.db2.gz PDEAZCMSALHSLW-LBPRGKRZSA-N 1 2 345.468 3.512 20 10 EHCDLO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756644836 1041657847 /nfs/dbraw/zinc/65/78/47/1041657847.db2.gz CFBBTWLAEZZFIE-OUAUKWLOSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(Cl)c1O ZINC001659870704 1126263687 /nfs/dbraw/zinc/26/36/87/1126263687.db2.gz VGKACZZZRFVVIA-QGZVFWFLSA-N 1 2 340.250 3.782 20 10 EHCDLO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc(Cl)c1 ZINC000765683239 1127724765 /nfs/dbraw/zinc/72/47/65/1127724765.db2.gz OUOUOTSJCBQSKN-INIZCTEOSA-N 1 2 344.213 3.835 20 10 EHCDLO Cc1ccccc1NC1=NC(=O)C(=Cc2cccc3[nH+]ccn32)S1 ZINC000180309351 1123982068 /nfs/dbraw/zinc/98/20/68/1123982068.db2.gz UCRLYSOKMTZXFN-PTNGSMBKSA-N 1 2 334.404 3.725 20 10 EHCDLO CCOCc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)ccc1OC ZINC000922524116 1129562179 /nfs/dbraw/zinc/56/21/79/1129562179.db2.gz AZXOMEJICINJIW-FXAWDEMLSA-N 1 2 345.414 3.793 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1cn2ccsc2n1)Cc1ccco1 ZINC000732201998 1130898427 /nfs/dbraw/zinc/89/84/27/1130898427.db2.gz CRDHGRLTXJQOGL-UHFFFAOYSA-N 1 2 339.420 3.897 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1cn2ccsc2n1)Cc1ccco1 ZINC000732201998 1130898434 /nfs/dbraw/zinc/89/84/34/1130898434.db2.gz CRDHGRLTXJQOGL-UHFFFAOYSA-N 1 2 339.420 3.897 20 10 EHCDLO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000769105501 1133226669 /nfs/dbraw/zinc/22/66/69/1133226669.db2.gz MAPZKBYQTQVZQF-WBVHZDCISA-N 1 2 347.459 3.584 20 10 EHCDLO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000769105501 1133226676 /nfs/dbraw/zinc/22/66/76/1133226676.db2.gz MAPZKBYQTQVZQF-WBVHZDCISA-N 1 2 347.459 3.584 20 10 EHCDLO CC1(C)[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1(F)F ZINC001179228966 1133238271 /nfs/dbraw/zinc/23/82/71/1133238271.db2.gz XRIJXQJRWOSJSB-SNVBAGLBSA-N 1 2 338.167 3.675 20 10 EHCDLO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cccc(Cl)c1O ZINC001179768514 1133277310 /nfs/dbraw/zinc/27/73/10/1133277310.db2.gz QRGRNOJFVLKUDN-UHFFFAOYSA-N 1 2 345.805 3.969 20 10 EHCDLO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C2 ZINC001180317791 1133355405 /nfs/dbraw/zinc/35/54/05/1133355405.db2.gz NVXPNFYRCFDKBI-AWEZNQCLSA-N 1 2 335.806 3.840 20 10 EHCDLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001181084212 1133455462 /nfs/dbraw/zinc/45/54/62/1133455462.db2.gz AJPTVUZDRUGQTK-ZDUSSCGKSA-N 1 2 336.888 3.986 20 10 EHCDLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001181084212 1133455464 /nfs/dbraw/zinc/45/54/64/1133455464.db2.gz AJPTVUZDRUGQTK-ZDUSSCGKSA-N 1 2 336.888 3.986 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1nc(C(F)(F)F)cs1 ZINC001181244966 1133468062 /nfs/dbraw/zinc/46/80/62/1133468062.db2.gz YFYPYGLOYCATNK-ZCFIWIBFSA-N 1 2 338.301 3.997 20 10 EHCDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)[nH]1 ZINC000788684821 1134157107 /nfs/dbraw/zinc/15/71/07/1134157107.db2.gz FNSDZCGLGZEOMW-RKDXNWHRSA-N 1 2 328.338 3.503 20 10 EHCDLO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1nc(Cc2ccccc2)no1 ZINC000792182227 1134664483 /nfs/dbraw/zinc/66/44/83/1134664483.db2.gz YQYOXQZKDGSGRA-GFCCVEGCSA-N 1 2 343.814 3.870 20 10 EHCDLO CC[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806135502 1135388986 /nfs/dbraw/zinc/38/89/86/1135388986.db2.gz KTEXVDDRHZIBJM-CYBMUJFWSA-N 1 2 328.840 3.611 20 10 EHCDLO Cn1c[nH+]c(CCNC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)c1 ZINC001195275840 1135403783 /nfs/dbraw/zinc/40/37/83/1135403783.db2.gz VWADXKOXVSKRTK-GHVJWSGMSA-N 1 2 349.394 3.514 20 10 EHCDLO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203884190 1135738238 /nfs/dbraw/zinc/73/82/38/1135738238.db2.gz TUZCZLQWCKTZNV-NSHDSACASA-N 1 2 348.240 3.807 20 10 EHCDLO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203884190 1135738241 /nfs/dbraw/zinc/73/82/41/1135738241.db2.gz TUZCZLQWCKTZNV-NSHDSACASA-N 1 2 348.240 3.807 20 10 EHCDLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775835205 1135794610 /nfs/dbraw/zinc/79/46/10/1135794610.db2.gz GAUGVOAQIBOFTO-GJZGRUSLSA-N 1 2 346.475 3.720 20 10 EHCDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cccc(Cl)c1O ZINC000809714272 1135876553 /nfs/dbraw/zinc/87/65/53/1135876553.db2.gz DAVHJRZWVWCPTP-UHFFFAOYSA-N 1 2 338.879 3.659 20 10 EHCDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc(Cl)c1O ZINC000809714272 1135876556 /nfs/dbraw/zinc/87/65/56/1135876556.db2.gz DAVHJRZWVWCPTP-UHFFFAOYSA-N 1 2 338.879 3.659 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)cc1 ZINC001203933970 1135900111 /nfs/dbraw/zinc/90/01/11/1135900111.db2.gz IJINCGLYHDLOSW-UHFFFAOYSA-N 1 2 335.373 3.725 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCc3ncc(C(F)(F)F)cc3C2)cc1 ZINC001203933970 1135900113 /nfs/dbraw/zinc/90/01/13/1135900113.db2.gz IJINCGLYHDLOSW-UHFFFAOYSA-N 1 2 335.373 3.725 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]CC1Cc2ccccc2C1 ZINC000776174809 1136021767 /nfs/dbraw/zinc/02/17/67/1136021767.db2.gz BETQSWOKTDMAIX-UHFFFAOYSA-N 1 2 332.241 3.659 20 10 EHCDLO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)c2ccccc21 ZINC001201465507 1136023367 /nfs/dbraw/zinc/02/33/67/1136023367.db2.gz QFLMSBSMXCZRCU-MRXNPFEDSA-N 1 2 348.805 3.772 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)c1cccc(F)c1 ZINC000776232322 1136087118 /nfs/dbraw/zinc/08/71/18/1136087118.db2.gz UBUNEUQPASRHFD-PSLIRLAXSA-N 1 2 327.758 3.536 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000776249469 1136107572 /nfs/dbraw/zinc/10/75/72/1136107572.db2.gz YIODZCNQNNZUFB-UHFFFAOYSA-N 1 2 347.629 3.916 20 10 EHCDLO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000813857648 1136367301 /nfs/dbraw/zinc/36/73/01/1136367301.db2.gz LEMFBVFGXOKXHM-GOSISDBHSA-N 1 2 327.476 3.590 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816656402 1136745546 /nfs/dbraw/zinc/74/55/46/1136745546.db2.gz QMMYXHUUUSRYFD-MRXNPFEDSA-N 1 2 325.811 3.576 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816656402 1136745547 /nfs/dbraw/zinc/74/55/47/1136745547.db2.gz QMMYXHUUUSRYFD-MRXNPFEDSA-N 1 2 325.811 3.576 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cccc(Cl)c1O ZINC000857878519 1136917169 /nfs/dbraw/zinc/91/71/69/1136917169.db2.gz ZQPFEUUUEZHTQK-DLBZAZTESA-N 1 2 344.842 3.800 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000824952909 1137159323 /nfs/dbraw/zinc/15/93/23/1137159323.db2.gz FODUIOAXMQIIIL-ZBFHGGJFSA-N 1 2 336.794 3.590 20 10 EHCDLO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000844399713 1137217261 /nfs/dbraw/zinc/21/72/61/1137217261.db2.gz MWEDVTXCDFBAKI-AWEZNQCLSA-N 1 2 346.475 3.505 20 10 EHCDLO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000844399713 1137217262 /nfs/dbraw/zinc/21/72/62/1137217262.db2.gz MWEDVTXCDFBAKI-AWEZNQCLSA-N 1 2 346.475 3.505 20 10 EHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cc(C(C)(C)C)on2)cc1 ZINC000844400885 1137217285 /nfs/dbraw/zinc/21/72/85/1137217285.db2.gz GGGUJLZFJBQBPJ-UHFFFAOYSA-N 1 2 331.460 3.549 20 10 EHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cc(C(C)(C)C)on2)cc1 ZINC000844400885 1137217286 /nfs/dbraw/zinc/21/72/86/1137217286.db2.gz GGGUJLZFJBQBPJ-UHFFFAOYSA-N 1 2 331.460 3.549 20 10 EHCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)c1 ZINC000866597038 1137367868 /nfs/dbraw/zinc/36/78/68/1137367868.db2.gz WKQYANAFNJRLTA-MEDUHNTESA-N 1 2 335.350 3.679 20 10 EHCDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715778412 1137478140 /nfs/dbraw/zinc/47/81/40/1137478140.db2.gz LOLBODPPVUXJKH-ZETCQYMHSA-N 1 2 343.196 3.749 20 10 EHCDLO C[C@H](CCc1cccnc1)[NH2+]Cc1cccc(Br)c1O ZINC000877479012 1137677791 /nfs/dbraw/zinc/67/77/91/1137677791.db2.gz OMZFLKUWDPJYCR-GFCCVEGCSA-N 1 2 335.245 3.661 20 10 EHCDLO COC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1cccc(Cl)c1 ZINC000877537847 1137680396 /nfs/dbraw/zinc/68/03/96/1137680396.db2.gz QMRFVIVZDDZCDR-AWEZNQCLSA-N 1 2 327.758 3.801 20 10 EHCDLO Oc1c(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)ccc(F)c1F ZINC000877736187 1137687385 /nfs/dbraw/zinc/68/73/85/1137687385.db2.gz XVNZIAWOQAZNGK-UHFFFAOYSA-N 1 2 349.381 3.701 20 10 EHCDLO C[C@@H]([NH2+]CCc1ccns1)c1cc(Br)c(F)cc1O ZINC000883247563 1137850342 /nfs/dbraw/zinc/85/03/42/1137850342.db2.gz ORMSDUIPVAPJAU-MRVPVSSYSA-N 1 2 345.237 3.644 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(Cl)c1O ZINC000883361625 1137857442 /nfs/dbraw/zinc/85/74/42/1137857442.db2.gz HYXIKTHWBXNSIG-NXEZZACHSA-N 1 2 347.711 3.645 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000133876512 1137919885 /nfs/dbraw/zinc/91/98/85/1137919885.db2.gz HUXXLJBQWFYRSC-UHFFFAOYSA-N 1 2 329.271 3.759 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000134114331 1137940588 /nfs/dbraw/zinc/94/05/88/1137940588.db2.gz IQMCDBMCCFLCBA-AWEZNQCLSA-N 1 2 329.271 3.759 20 10 EHCDLO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC001649170938 1138020343 /nfs/dbraw/zinc/02/03/43/1138020343.db2.gz HWAFLLXZKIODJU-CXAGYDPISA-N 1 2 332.394 3.596 20 10 EHCDLO COc1cc(C[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)ccc1O ZINC000177049766 1139594071 /nfs/dbraw/zinc/59/40/71/1139594071.db2.gz MUGTWYICRDIYKV-UHFFFAOYSA-N 1 2 349.814 3.594 20 10 EHCDLO COc1cc(C[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)ccc1O ZINC000177049766 1139594077 /nfs/dbraw/zinc/59/40/77/1139594077.db2.gz MUGTWYICRDIYKV-UHFFFAOYSA-N 1 2 349.814 3.594 20 10 EHCDLO C[N@H+](Cc1cccc(Cl)c1O)Cc1ccccc1N1CCOCC1 ZINC000179616517 1139769791 /nfs/dbraw/zinc/76/97/91/1139769791.db2.gz QADGVRYCPPRMCN-UHFFFAOYSA-N 1 2 346.858 3.514 20 10 EHCDLO C[N@@H+](Cc1cccc(Cl)c1O)Cc1ccccc1N1CCOCC1 ZINC000179616517 1139769795 /nfs/dbraw/zinc/76/97/95/1139769795.db2.gz QADGVRYCPPRMCN-UHFFFAOYSA-N 1 2 346.858 3.514 20 10 EHCDLO Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348636712 1141559753 /nfs/dbraw/zinc/55/97/53/1141559753.db2.gz YHMRIXLOEZWLLB-UHFFFAOYSA-N 1 2 344.418 3.602 20 10 EHCDLO Cc1ccncc1C[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894617093 1022622624 /nfs/dbraw/zinc/62/26/24/1022622624.db2.gz AQJKPQXXIKNVBL-UHFFFAOYSA-N 1 2 339.208 3.629 20 10 EHCDLO Cc1ccncc1C[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894617093 1022622615 /nfs/dbraw/zinc/62/26/15/1022622615.db2.gz AQJKPQXXIKNVBL-UHFFFAOYSA-N 1 2 339.208 3.629 20 10 EHCDLO CC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H]1CCCOC1 ZINC000723952654 1022766647 /nfs/dbraw/zinc/76/66/47/1022766647.db2.gz BYMGRQUXJFHHCP-QMTHXVAHSA-N 1 2 346.240 3.589 20 10 EHCDLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(Cl)c(F)cc2O)o1 ZINC000293593210 1022869850 /nfs/dbraw/zinc/86/98/50/1022869850.db2.gz KNKVTFYMGOIXDA-AWEZNQCLSA-N 1 2 327.783 3.817 20 10 EHCDLO CC1(C)C[C@H]([NH2+]Cc2cccc(Br)c2O)CCS1 ZINC000897800399 1033183345 /nfs/dbraw/zinc/18/33/45/1033183345.db2.gz QVPXVKRVRACESS-LLVKDONJSA-N 1 2 330.291 3.919 20 10 EHCDLO C[C@@]1(c2ccc(F)cc2)C[N@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001142527478 1033277459 /nfs/dbraw/zinc/27/74/59/1033277459.db2.gz WHMOBCCXKJHTTL-SFHVURJKSA-N 1 2 337.341 3.557 20 10 EHCDLO C[C@@]1(c2ccc(F)cc2)C[N@@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001142527478 1033277467 /nfs/dbraw/zinc/27/74/67/1033277467.db2.gz WHMOBCCXKJHTTL-SFHVURJKSA-N 1 2 337.341 3.557 20 10 EHCDLO Cc1nc(N2CC=C(c3c[nH]c4ncccc34)CC2)c2c([nH+]1)CCCC2 ZINC000329292930 1025728775 /nfs/dbraw/zinc/72/87/75/1025728775.db2.gz JBBGTUYNFBJYRS-UHFFFAOYSA-N 1 2 345.450 3.834 20 10 EHCDLO COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c(C)c1OC ZINC000897246728 1026571002 /nfs/dbraw/zinc/57/10/02/1026571002.db2.gz ZBTKOLLKKKCBBA-UHFFFAOYSA-N 1 2 339.794 3.800 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c(Cl)c1 ZINC000527618737 1031042983 /nfs/dbraw/zinc/04/29/83/1031042983.db2.gz YTUDHLUPZNNBNH-UHFFFAOYSA-N 1 2 331.847 3.826 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c(Cl)c1 ZINC000527618737 1031043001 /nfs/dbraw/zinc/04/30/01/1031043001.db2.gz YTUDHLUPZNNBNH-UHFFFAOYSA-N 1 2 331.847 3.826 20 10 EHCDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000179820435 1031812120 /nfs/dbraw/zinc/81/21/20/1031812120.db2.gz WGVGUBFIZPJACZ-UHFFFAOYSA-N 1 2 330.815 3.562 20 10 EHCDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000179820435 1031812135 /nfs/dbraw/zinc/81/21/35/1031812135.db2.gz WGVGUBFIZPJACZ-UHFFFAOYSA-N 1 2 330.815 3.562 20 10 EHCDLO CN(C)c1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1F ZINC000278650670 1031835221 /nfs/dbraw/zinc/83/52/21/1031835221.db2.gz MIWVXAFRHGTFIS-UHFFFAOYSA-N 1 2 333.354 3.657 20 10 EHCDLO C[C@H]1CN(c2ccccc2C[NH2+]Cc2cccc(Cl)c2O)CCO1 ZINC000898218665 1033376108 /nfs/dbraw/zinc/37/61/08/1033376108.db2.gz MLRAPOPLKCBHDC-AWEZNQCLSA-N 1 2 346.858 3.561 20 10 EHCDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894083779 1040040762 /nfs/dbraw/zinc/04/07/62/1040040762.db2.gz FOEYCUIJQCLQHZ-BSNNYGBQSA-N 1 2 339.407 3.601 20 10 EHCDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894083779 1040040779 /nfs/dbraw/zinc/04/07/79/1040040779.db2.gz FOEYCUIJQCLQHZ-BSNNYGBQSA-N 1 2 339.407 3.601 20 10 EHCDLO CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162661101 1040947505 /nfs/dbraw/zinc/94/75/05/1040947505.db2.gz VLJGXDRTKKHJOI-UHFFFAOYSA-N 1 2 342.443 3.606 20 10 EHCDLO CCOc1ccc(O)c(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000765721459 1127736810 /nfs/dbraw/zinc/73/68/10/1127736810.db2.gz ZVJWMPWJJLORMX-OAHLLOKOSA-N 1 2 346.496 3.731 20 10 EHCDLO CC(C)(C)OC(=O)N1CC[C@@](C)([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000701891685 1130182245 /nfs/dbraw/zinc/18/22/45/1130182245.db2.gz RPVGWMXNJXTMJR-QGZVFWFLSA-N 1 2 340.851 3.535 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001203149540 1132085444 /nfs/dbraw/zinc/08/54/44/1132085444.db2.gz NFLAYCPZHCHSLO-HOCLYGCPSA-N 1 2 335.806 3.847 20 10 EHCDLO CCCN(C)CC(C)(C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001179228061 1133237019 /nfs/dbraw/zinc/23/70/19/1133237019.db2.gz CEEAQYSBVBJDBV-UHFFFAOYSA-N 1 2 347.272 3.504 20 10 EHCDLO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000769314306 1133259633 /nfs/dbraw/zinc/25/96/33/1133259633.db2.gz XIGYSWNIAVHICT-CYBMUJFWSA-N 1 2 326.227 3.733 20 10 EHCDLO Cc1cccc(N2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)c1 ZINC001180462620 1133378382 /nfs/dbraw/zinc/37/83/82/1133378382.db2.gz RKAUNJLSONTKLE-UHFFFAOYSA-N 1 2 334.822 3.815 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3cnc(Cl)c(C)c3)CC2)cc1F ZINC000770302088 1133408468 /nfs/dbraw/zinc/40/84/68/1133408468.db2.gz PXRUKBUITSQEDG-UHFFFAOYSA-N 1 2 349.837 3.513 20 10 EHCDLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001181084208 1133455470 /nfs/dbraw/zinc/45/54/70/1133455470.db2.gz AJPTVUZDRUGQTK-CYBMUJFWSA-N 1 2 336.888 3.986 20 10 EHCDLO C[C@H](c1ccsc1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001181084208 1133455472 /nfs/dbraw/zinc/45/54/72/1133455472.db2.gz AJPTVUZDRUGQTK-CYBMUJFWSA-N 1 2 336.888 3.986 20 10 EHCDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001181391258 1133487210 /nfs/dbraw/zinc/48/72/10/1133487210.db2.gz VTNXRCBIVJAJJC-GFCCVEGCSA-N 1 2 336.357 3.520 20 10 EHCDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001181391258 1133487213 /nfs/dbraw/zinc/48/72/13/1133487213.db2.gz VTNXRCBIVJAJJC-GFCCVEGCSA-N 1 2 336.357 3.520 20 10 EHCDLO CCCN(CCC)c1ccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1 ZINC000792191798 1134666492 /nfs/dbraw/zinc/66/64/92/1134666492.db2.gz AHWSVBYSVFGKPJ-DTVZVWBHSA-N 1 2 336.545 3.654 20 10 EHCDLO CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1 ZINC000792191798 1134666493 /nfs/dbraw/zinc/66/64/93/1134666493.db2.gz AHWSVBYSVFGKPJ-DTVZVWBHSA-N 1 2 336.545 3.654 20 10 EHCDLO CC[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc(Cl)c1O ZINC000806132471 1135388032 /nfs/dbraw/zinc/38/80/32/1135388032.db2.gz WUIOBETYDCAXBQ-INIZCTEOSA-N 1 2 342.830 3.867 20 10 EHCDLO CC[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cccc(Cl)c1O ZINC000806141377 1135400194 /nfs/dbraw/zinc/40/01/94/1135400194.db2.gz IXEKWNHUTILDGN-GDBMZVCRSA-N 1 2 328.909 3.524 20 10 EHCDLO CCS[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775833197 1135790445 /nfs/dbraw/zinc/79/04/45/1135790445.db2.gz HZEYSSYTJWGVTI-CHWSQXEVSA-N 1 2 334.489 3.801 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000809728811 1135872590 /nfs/dbraw/zinc/87/25/90/1135872590.db2.gz IPEBJXMTRWZYSZ-OAHLLOKOSA-N 1 2 333.229 3.887 20 10 EHCDLO Cn1c(C[NH2+]Cc2cccc(Cl)c2O)nc2cccc(Cl)c21 ZINC000775983257 1135910542 /nfs/dbraw/zinc/91/05/42/1135910542.db2.gz KXWCNZATSWOHAP-UHFFFAOYSA-N 1 2 336.222 3.876 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000717015742 1135927213 /nfs/dbraw/zinc/92/72/13/1135927213.db2.gz NYBUFPCETDLEHK-CYBMUJFWSA-N 1 2 340.261 3.736 20 10 EHCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(N2CCOC2=O)cc1 ZINC000776061096 1135947055 /nfs/dbraw/zinc/94/70/55/1135947055.db2.gz ADLIUFNMBLJDGY-LBPRGKRZSA-N 1 2 346.814 3.853 20 10 EHCDLO CC(=O)COC(=O)c1ccccc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201499484 1136028906 /nfs/dbraw/zinc/02/89/06/1136028906.db2.gz PBYZOHRIVVZKIE-UHFFFAOYSA-N 1 2 326.396 3.996 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC001201497823 1136029158 /nfs/dbraw/zinc/02/91/58/1136029158.db2.gz KHNDKLNMVAYDJM-UHFFFAOYSA-N 1 2 333.457 3.501 20 10 EHCDLO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)OCCc2sccc21 ZINC000811513042 1136103168 /nfs/dbraw/zinc/10/31/68/1136103168.db2.gz CQFNDSKVMRTVCC-INIZCTEOSA-N 1 2 341.835 3.824 20 10 EHCDLO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2)cc1 ZINC000850489929 1136270025 /nfs/dbraw/zinc/27/00/25/1136270025.db2.gz YFZNNRIVESPVSJ-JSGCOSHPSA-N 1 2 348.393 3.609 20 10 EHCDLO COc1cccc([C@@H](C)[NH2+]CC(F)(F)c2ccc(F)cc2)c1O ZINC000850560905 1136285796 /nfs/dbraw/zinc/28/57/96/1136285796.db2.gz KPFKUPUNZYFCLM-LLVKDONJSA-N 1 2 325.330 3.983 20 10 EHCDLO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)cc(F)c1O ZINC000813873307 1136370864 /nfs/dbraw/zinc/37/08/64/1136370864.db2.gz VSANEAWERJBMSD-SSDOTTSWSA-N 1 2 338.167 3.990 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000816538422 1136731398 /nfs/dbraw/zinc/73/13/98/1136731398.db2.gz RFAJYRQNRTXUNX-UHFFFAOYSA-N 1 2 334.822 3.943 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nc(C(C)(C)C)no1 ZINC000816590762 1136734759 /nfs/dbraw/zinc/73/47/59/1136734759.db2.gz LBADBYBQXUWPLK-MRVPVSSYSA-N 1 2 327.787 3.716 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000816566342 1136737261 /nfs/dbraw/zinc/73/72/61/1136737261.db2.gz RSTUWXZIALVYNZ-UHFFFAOYSA-N 1 2 333.712 3.934 20 10 EHCDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nc1 ZINC000858012429 1136930183 /nfs/dbraw/zinc/93/01/83/1136930183.db2.gz HCNREMGWEFMVNN-GFCCVEGCSA-N 1 2 336.794 3.541 20 10 EHCDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nc1 ZINC000858012429 1136930185 /nfs/dbraw/zinc/93/01/85/1136930185.db2.gz HCNREMGWEFMVNN-GFCCVEGCSA-N 1 2 336.794 3.541 20 10 EHCDLO CCc1nc([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cs1 ZINC000858134949 1136942157 /nfs/dbraw/zinc/94/21/57/1136942157.db2.gz XMGOPCKNPSJRRS-SNVBAGLBSA-N 1 2 325.428 3.901 20 10 EHCDLO COc1ccc(N2CCN(c3[nH+]ccc4ccccc43)CC2)cc1F ZINC000858440897 1136967872 /nfs/dbraw/zinc/96/78/72/1136967872.db2.gz HRJQXLNIILVAJZ-UHFFFAOYSA-N 1 2 337.398 3.709 20 10 EHCDLO CC[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cccc(Cl)c1O ZINC000858539589 1136977363 /nfs/dbraw/zinc/97/73/63/1136977363.db2.gz HBRXVLWMRSVQSU-CQSZACIVSA-N 1 2 346.814 3.731 20 10 EHCDLO C[N@H+](Cc1cn(C2CCC2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000824474081 1137139193 /nfs/dbraw/zinc/13/91/93/1137139193.db2.gz HZHJYXZETIHARG-UHFFFAOYSA-N 1 2 339.487 3.625 20 10 EHCDLO C[N@@H+](Cc1cn(C2CCC2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000824474081 1137139195 /nfs/dbraw/zinc/13/91/95/1137139195.db2.gz HZHJYXZETIHARG-UHFFFAOYSA-N 1 2 339.487 3.625 20 10 EHCDLO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1n1cccn1 ZINC000825117422 1137166257 /nfs/dbraw/zinc/16/62/57/1137166257.db2.gz CWRUWVMHXZPZDB-ARFHVFGLSA-N 1 2 349.862 3.529 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001144306937 1137270730 /nfs/dbraw/zinc/27/07/30/1137270730.db2.gz XDROFDTWKRVWRX-MRVPVSSYSA-N 1 2 338.167 3.771 20 10 EHCDLO COCc1cc[nH+]c(NCc2cc(C)cc(Br)c2O)c1 ZINC000844710396 1137247433 /nfs/dbraw/zinc/24/74/33/1137247433.db2.gz ZDRVXFMZULEJMF-UHFFFAOYSA-N 1 2 337.217 3.617 20 10 EHCDLO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(Br)cc(F)c1O ZINC000866443464 1137355164 /nfs/dbraw/zinc/35/51/64/1137355164.db2.gz NDGVJEBTWFSABU-SKNMHBRKSA-N 1 2 332.213 3.510 20 10 EHCDLO COc1c[nH+]c(NCc2cc3ccccc3cc2O)nc1NC1CC1 ZINC001171395672 1137470238 /nfs/dbraw/zinc/47/02/38/1137470238.db2.gz GWNZTBWNUXDZEH-UHFFFAOYSA-N 1 2 336.395 3.530 20 10 EHCDLO Oc1cc2ccccc2cc1CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001171402200 1137471821 /nfs/dbraw/zinc/47/18/21/1137471821.db2.gz IRPPLFRNRCBPFJ-UHFFFAOYSA-N 1 2 330.391 3.797 20 10 EHCDLO CCCOc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1C ZINC000873134122 1137591088 /nfs/dbraw/zinc/59/10/88/1137591088.db2.gz OEZBWMSKPXUPSJ-CYBMUJFWSA-N 1 2 348.468 3.878 20 10 EHCDLO Oc1c(C[NH+]2CCC(OCc3ccccc3)CC2)ccc(F)c1F ZINC000876554204 1137655463 /nfs/dbraw/zinc/65/54/63/1137655463.db2.gz GCGMSXLZHRPRBB-UHFFFAOYSA-N 1 2 333.378 3.852 20 10 EHCDLO Oc1c(C[NH+]2CCC(OCCc3ccccc3)CC2)ccc(F)c1F ZINC000876625962 1137657361 /nfs/dbraw/zinc/65/73/61/1137657361.db2.gz KMAFVZQUTCHVDW-UHFFFAOYSA-N 1 2 347.405 3.894 20 10 EHCDLO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000883087028 1137844165 /nfs/dbraw/zinc/84/41/65/1137844165.db2.gz LSURWXIYVYICPC-MNOVXSKESA-N 1 2 346.240 3.589 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000883088213 1137844233 /nfs/dbraw/zinc/84/42/33/1137844233.db2.gz WZMSKWVYCYYMLJ-ZDUSSCGKSA-N 1 2 346.240 3.733 20 10 EHCDLO C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1c(O)cccc1F ZINC000886537264 1138092729 /nfs/dbraw/zinc/09/27/29/1138092729.db2.gz XKPZOYIOCHBGIT-OAHLLOKOSA-N 1 2 339.414 3.821 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1)c1cccc(Cl)c1O ZINC000886766982 1138136289 /nfs/dbraw/zinc/13/62/89/1138136289.db2.gz WQOKUHDPDLVBPS-RASHJEQFSA-N 1 2 339.863 3.813 20 10 EHCDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1=CC(=O)CS1 ZINC001625787356 1014645688 /nfs/dbraw/zinc/64/56/88/1014645688.db2.gz CWBFDZPTCDZWTO-UHFFFAOYSA-N 1 2 339.420 3.906 20 10 EHCDLO CNc1ccccc1NCCSCc1csc(C[NH+](C)C)n1 ZINC001168108925 1032536556 /nfs/dbraw/zinc/53/65/56/1032536556.db2.gz SDEMFPBUQKJGOG-UHFFFAOYSA-N 1 2 336.530 3.592 20 10 EHCDLO CC[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cccc(Cl)c1O ZINC000376832815 1017141904 /nfs/dbraw/zinc/14/19/04/1017141904.db2.gz GNZHNNWMOSYDOY-KRWDZBQOSA-N 1 2 342.830 3.867 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1cccc(Cl)c1O ZINC000376835475 1017157760 /nfs/dbraw/zinc/15/77/60/1017157760.db2.gz UEKVIXOZCKZDGJ-CZUORRHYSA-N 1 2 331.847 3.742 20 10 EHCDLO CN1CCCc2cc(C[NH2+]Cc3csc(C(F)(F)F)n3)ccc21 ZINC000892734334 1017259319 /nfs/dbraw/zinc/25/93/19/1017259319.db2.gz WUEYNJJJQKWPQD-UHFFFAOYSA-N 1 2 341.402 3.834 20 10 EHCDLO C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(Br)c1O ZINC000049157669 1019073202 /nfs/dbraw/zinc/07/32/02/1019073202.db2.gz LVFUOGSXOTTXID-SNVBAGLBSA-N 1 2 326.259 3.937 20 10 EHCDLO CC(C)(C)c1coc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000891467114 1021708543 /nfs/dbraw/zinc/70/85/43/1021708543.db2.gz CYBQTMMIPCVADS-MRXNPFEDSA-N 1 2 344.455 3.859 20 10 EHCDLO CC(C)(C)c1coc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000891467114 1021708555 /nfs/dbraw/zinc/70/85/55/1021708555.db2.gz CYBQTMMIPCVADS-MRXNPFEDSA-N 1 2 344.455 3.859 20 10 EHCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179950935 1123905669 /nfs/dbraw/zinc/90/56/69/1123905669.db2.gz ZNMDENQMEWBZSL-SNVBAGLBSA-N 1 2 338.167 3.929 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179950935 1123905671 /nfs/dbraw/zinc/90/56/71/1123905671.db2.gz ZNMDENQMEWBZSL-SNVBAGLBSA-N 1 2 338.167 3.929 20 10 EHCDLO O=C(C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1)C(F)(F)F ZINC000294821744 1024599785 /nfs/dbraw/zinc/59/97/85/1024599785.db2.gz XPIDMDSDHPTLEI-UHFFFAOYSA-N 1 2 339.716 3.528 20 10 EHCDLO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000897042557 1026275955 /nfs/dbraw/zinc/27/59/55/1026275955.db2.gz IGQUIBIUOJRSSV-BXKDBHETSA-N 1 2 339.798 3.556 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cccc(Cl)c1O ZINC000528007244 1031577082 /nfs/dbraw/zinc/57/70/82/1031577082.db2.gz YRZDEOMWJWCRBJ-DLBZAZTESA-N 1 2 344.842 3.913 20 10 EHCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1O ZINC000190134414 1036195833 /nfs/dbraw/zinc/19/58/33/1036195833.db2.gz OBJZPPARJIBTHR-GOSISDBHSA-N 1 2 349.377 3.643 20 10 EHCDLO CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1O ZINC000190134414 1036195847 /nfs/dbraw/zinc/19/58/47/1036195847.db2.gz OBJZPPARJIBTHR-GOSISDBHSA-N 1 2 349.377 3.643 20 10 EHCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)Cc1c(C)cccc1C ZINC001167734913 1038425972 /nfs/dbraw/zinc/42/59/72/1038425972.db2.gz QLDGMPCDDGCRCA-UHFFFAOYSA-N 1 2 347.842 3.838 20 10 EHCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)Cc1c(C)cccc1C ZINC001167734913 1038425979 /nfs/dbraw/zinc/42/59/79/1038425979.db2.gz QLDGMPCDDGCRCA-UHFFFAOYSA-N 1 2 347.842 3.838 20 10 EHCDLO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756532771 1040072831 /nfs/dbraw/zinc/07/28/31/1040072831.db2.gz FQBOUVCHDQMQAD-QWRGUYRKSA-N 1 2 347.272 3.675 20 10 EHCDLO Cc1cc(CC(=O)Nc2cc(C)[nH+]cc2C)c(C)n1-c1ccccc1 ZINC001127732957 1127451378 /nfs/dbraw/zinc/45/13/78/1127451378.db2.gz CPSMTSSJRIKRRF-UHFFFAOYSA-N 1 2 333.435 3.709 20 10 EHCDLO Oc1c(CNc2ccc3c([nH+]2)CCOC3)cc(Cl)c2cccnc12 ZINC001168522456 1122440533 /nfs/dbraw/zinc/44/05/33/1122440533.db2.gz RQMPQUMKKZYCJS-UHFFFAOYSA-N 1 2 341.798 3.674 20 10 EHCDLO Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1c[nH+]c2ccccn12 ZINC000172586725 1130145704 /nfs/dbraw/zinc/14/57/04/1130145704.db2.gz MNPMZHBJROEDSO-LCYFTJDESA-N 1 2 348.431 3.667 20 10 EHCDLO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc(Br)cc(F)c1O ZINC000797090121 1133018118 /nfs/dbraw/zinc/01/81/18/1133018118.db2.gz ZDOMNIRMSAAACI-OUAUKWLOSA-N 1 2 346.240 3.617 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCN1CCCc2ccccc21 ZINC001177519825 1133073528 /nfs/dbraw/zinc/07/35/28/1133073528.db2.gz OSXVBHDHPMKFLJ-UHFFFAOYSA-N 1 2 334.822 3.727 20 10 EHCDLO COc1ccc2c(c1)C[N@@H+](Cc1cccc(Br)c1O)CC2 ZINC000769120991 1133229647 /nfs/dbraw/zinc/22/96/47/1133229647.db2.gz NIIZYNRENLPGDF-UHFFFAOYSA-N 1 2 348.240 3.722 20 10 EHCDLO COc1ccc2c(c1)C[N@H+](Cc1cccc(Br)c1O)CC2 ZINC000769120991 1133229655 /nfs/dbraw/zinc/22/96/55/1133229655.db2.gz NIIZYNRENLPGDF-UHFFFAOYSA-N 1 2 348.240 3.722 20 10 EHCDLO CCC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769450956 1133292468 /nfs/dbraw/zinc/29/24/68/1133292468.db2.gz DSFDQGCXFVKRCY-QGZVFWFLSA-N 1 2 347.459 3.586 20 10 EHCDLO CCC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769450956 1133292472 /nfs/dbraw/zinc/29/24/72/1133292472.db2.gz DSFDQGCXFVKRCY-QGZVFWFLSA-N 1 2 347.459 3.586 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCCSCC1 ZINC001180740411 1133409586 /nfs/dbraw/zinc/40/95/86/1133409586.db2.gz NZTFMOIMXUVGAJ-UHFFFAOYSA-N 1 2 336.682 3.747 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCCSCC1 ZINC001180740411 1133409590 /nfs/dbraw/zinc/40/95/90/1133409590.db2.gz NZTFMOIMXUVGAJ-UHFFFAOYSA-N 1 2 336.682 3.747 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](c1ccccc1)N(C)C ZINC000770666254 1133457072 /nfs/dbraw/zinc/45/70/72/1133457072.db2.gz KKOWMQVYTQVBFR-PXAZEXFGSA-N 1 2 336.838 3.966 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787289145 1133985522 /nfs/dbraw/zinc/98/55/22/1133985522.db2.gz DQKRJZOAMFQRRG-ZDUSSCGKSA-N 1 2 336.794 3.623 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787289145 1133985524 /nfs/dbraw/zinc/98/55/24/1133985524.db2.gz DQKRJZOAMFQRRG-ZDUSSCGKSA-N 1 2 336.794 3.623 20 10 EHCDLO CC(C)[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)C(C)(C)O ZINC000790703016 1134455460 /nfs/dbraw/zinc/45/54/60/1134455460.db2.gz WAWLRZOSYCBRTE-OTYXRUKQSA-N 1 2 348.256 3.740 20 10 EHCDLO C[C@@H]([NH2+]CCc1nccs1)c1cc(Br)c(F)cc1O ZINC000756510657 1134643173 /nfs/dbraw/zinc/64/31/73/1134643173.db2.gz RLVLRKDBMVXPCB-MRVPVSSYSA-N 1 2 345.237 3.644 20 10 EHCDLO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1cccc(Cl)c1O ZINC000806133729 1135389128 /nfs/dbraw/zinc/38/91/28/1135389128.db2.gz CTRKWXXZQIVYCH-DYVFJYSZSA-N 1 2 346.858 3.791 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000775664552 1135440003 /nfs/dbraw/zinc/44/00/03/1135440003.db2.gz XUYPUHVTXFMQLN-UHFFFAOYSA-N 1 2 334.822 3.897 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000775664552 1135440004 /nfs/dbraw/zinc/44/00/04/1135440004.db2.gz XUYPUHVTXFMQLN-UHFFFAOYSA-N 1 2 334.822 3.897 20 10 EHCDLO CCCCCC(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775669215 1135456450 /nfs/dbraw/zinc/45/64/50/1135456450.db2.gz VIHMFITUIOXXPS-UHFFFAOYSA-N 1 2 338.879 3.707 20 10 EHCDLO CCCCCC[C@H](CC)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001170582916 1135852691 /nfs/dbraw/zinc/85/26/91/1135852691.db2.gz ZBECAFAXTZMAQB-HOTGVXAUSA-N 1 2 337.460 3.521 20 10 EHCDLO C[N@H+](Cc1ccon1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809581174 1135853497 /nfs/dbraw/zinc/85/34/97/1135853497.db2.gz UPXUXBUCKFEBIG-UHFFFAOYSA-N 1 2 333.435 3.869 20 10 EHCDLO C[N@@H+](Cc1ccon1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809581174 1135853501 /nfs/dbraw/zinc/85/35/01/1135853501.db2.gz UPXUXBUCKFEBIG-UHFFFAOYSA-N 1 2 333.435 3.869 20 10 EHCDLO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000809703516 1135874182 /nfs/dbraw/zinc/87/41/82/1135874182.db2.gz LKQFEYYIGOYQNJ-SMDDNHRTSA-N 1 2 329.271 3.758 20 10 EHCDLO C[NH+](C)CCN(Cc1ccco1)Cc1cc(Cl)cc(Cl)c1O ZINC000809745849 1135884543 /nfs/dbraw/zinc/88/45/43/1135884543.db2.gz HLXGFDGSRRTIHI-UHFFFAOYSA-N 1 2 343.254 3.856 20 10 EHCDLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(Cl)cc(F)c2O)o1 ZINC000776178014 1136016359 /nfs/dbraw/zinc/01/63/59/1136016359.db2.gz XVJQOPNAPQUMHO-AWEZNQCLSA-N 1 2 327.783 3.817 20 10 EHCDLO COC(=O)c1nn(C)c2ccc(Nc3ccc([NH2+]C(C)C)cc3)cc12 ZINC001201504019 1136029549 /nfs/dbraw/zinc/02/95/49/1136029549.db2.gz AMLBAEZUFWAYOU-UHFFFAOYSA-N 1 2 338.411 3.924 20 10 EHCDLO Cn1cc([C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C(C)(C)C)cn1 ZINC000776231999 1136085195 /nfs/dbraw/zinc/08/51/95/1136085195.db2.gz SNEVQPSZEVJERJ-HNNXBMFYSA-N 1 2 325.815 3.795 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](O)c1cccc(F)c1 ZINC000776232323 1136086919 /nfs/dbraw/zinc/08/69/19/1136086919.db2.gz UBUNEUQPASRHFD-RFAUZJTJSA-N 1 2 327.758 3.536 20 10 EHCDLO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Br)cc(F)c1O ZINC000850536985 1136281687 /nfs/dbraw/zinc/28/16/87/1136281687.db2.gz PUWZHPBYJXBMIL-KRTXAFLBSA-N 1 2 338.167 3.990 20 10 EHCDLO c1csc(SCCC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)n1 ZINC000813857575 1136367405 /nfs/dbraw/zinc/36/74/05/1136367405.db2.gz JMPGICRVFAQXHC-CYBMUJFWSA-N 1 2 337.518 3.655 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CCCC3=O)CC2)c1O ZINC000852632551 1136471997 /nfs/dbraw/zinc/47/19/97/1136471997.db2.gz ZHYJDIWLEFGOGN-UHFFFAOYSA-N 1 2 335.831 3.583 20 10 EHCDLO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)n[nH]1 ZINC000815597051 1136617128 /nfs/dbraw/zinc/61/71/28/1136617128.db2.gz LJFLUYZPNSMSDG-MWLCHTKSSA-N 1 2 327.350 3.724 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCOCCc1ccccc1 ZINC000816536561 1136731355 /nfs/dbraw/zinc/73/13/55/1136731355.db2.gz CIQGJJJUAGBQLM-UHFFFAOYSA-N 1 2 337.822 3.924 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000816619284 1136742466 /nfs/dbraw/zinc/74/24/66/1136742466.db2.gz ZWIHDLSKRROMRD-AWEZNQCLSA-N 1 2 330.186 3.661 20 10 EHCDLO CCC(F)(F)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000858507809 1136974920 /nfs/dbraw/zinc/97/49/20/1136974920.db2.gz QSNNCSVBCABVSY-QMMMGPOBSA-N 1 2 338.192 3.859 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000805747004 1136990797 /nfs/dbraw/zinc/99/07/97/1136990797.db2.gz PHLKUCSZMRLOHM-KRWDZBQOSA-N 1 2 330.815 3.980 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000805747004 1136990799 /nfs/dbraw/zinc/99/07/99/1136990799.db2.gz PHLKUCSZMRLOHM-KRWDZBQOSA-N 1 2 330.815 3.980 20 10 EHCDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000828013933 1137001015 /nfs/dbraw/zinc/00/10/15/1137001015.db2.gz PBCVAUOAALDRJI-UHFFFAOYSA-N 1 2 337.826 3.503 20 10 EHCDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000828013933 1137001016 /nfs/dbraw/zinc/00/10/16/1137001016.db2.gz PBCVAUOAALDRJI-UHFFFAOYSA-N 1 2 337.826 3.503 20 10 EHCDLO C[N@H+](Cc1cccc(Cl)c1O)C1CCN(CC(F)(F)F)CC1 ZINC000825294451 1137171792 /nfs/dbraw/zinc/17/17/92/1137171792.db2.gz QUONBCZAVLGIGF-UHFFFAOYSA-N 1 2 336.785 3.504 20 10 EHCDLO C[N@@H+](Cc1cccc(Cl)c1O)C1CCN(CC(F)(F)F)CC1 ZINC000825294451 1137171793 /nfs/dbraw/zinc/17/17/93/1137171793.db2.gz QUONBCZAVLGIGF-UHFFFAOYSA-N 1 2 336.785 3.504 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc(Cl)c1O ZINC000846216027 1137341937 /nfs/dbraw/zinc/34/19/37/1137341937.db2.gz OVXFFGZXRSNTLZ-JKSUJKDBSA-N 1 2 346.858 3.863 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc(Cl)c1O ZINC000846216025 1137341966 /nfs/dbraw/zinc/34/19/66/1137341966.db2.gz OVXFFGZXRSNTLZ-HZPDHXFCSA-N 1 2 346.858 3.863 20 10 EHCDLO COc1ccc(N2CCC[N@H+](Cc3cnc(Cl)c(F)c3)CC2)cc1 ZINC000846778155 1137365060 /nfs/dbraw/zinc/36/50/60/1137365060.db2.gz RJZYSYVDTXXYDD-UHFFFAOYSA-N 1 2 349.837 3.595 20 10 EHCDLO COc1ccc(N2CCC[N@@H+](Cc3cnc(Cl)c(F)c3)CC2)cc1 ZINC000846778155 1137365061 /nfs/dbraw/zinc/36/50/61/1137365061.db2.gz RJZYSYVDTXXYDD-UHFFFAOYSA-N 1 2 349.837 3.595 20 10 EHCDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715778411 1137478050 /nfs/dbraw/zinc/47/80/50/1137478050.db2.gz LOLBODPPVUXJKH-SSDOTTSWSA-N 1 2 343.196 3.749 20 10 EHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000874230462 1137611740 /nfs/dbraw/zinc/61/17/40/1137611740.db2.gz BCBBLOBNJJLBGV-IBGZPJMESA-N 1 2 342.487 3.585 20 10 EHCDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H](C(F)(F)F)O1 ZINC000877825158 1137692313 /nfs/dbraw/zinc/69/23/13/1137692313.db2.gz XSVYZXQIVJGGGZ-QPUJVOFHSA-N 1 2 341.732 3.726 20 10 EHCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H](C(F)(F)F)O1 ZINC000877825158 1137692314 /nfs/dbraw/zinc/69/23/14/1137692314.db2.gz XSVYZXQIVJGGGZ-QPUJVOFHSA-N 1 2 341.732 3.726 20 10 EHCDLO CCOCCC1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883074296 1137843607 /nfs/dbraw/zinc/84/36/07/1137843607.db2.gz SPAGHPXPRAGKHC-UHFFFAOYSA-N 1 2 346.240 3.590 20 10 EHCDLO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1c(O)cccc1F ZINC000886631679 1138104153 /nfs/dbraw/zinc/10/41/53/1138104153.db2.gz UBYWEJOFXJKQAZ-YOEHRIQHSA-N 1 2 339.414 3.899 20 10 EHCDLO Cc1cc(O)c(C[N@@H+](C)Cc2nc([C@@H](C)OCC(C)C)no2)cc1C ZINC000072917406 1138109080 /nfs/dbraw/zinc/10/90/80/1138109080.db2.gz NYTPRUOQESTMCT-OAHLLOKOSA-N 1 2 347.459 3.758 20 10 EHCDLO Cc1cc(O)c(C[N@H+](C)Cc2nc([C@@H](C)OCC(C)C)no2)cc1C ZINC000072917406 1138109081 /nfs/dbraw/zinc/10/90/81/1138109081.db2.gz NYTPRUOQESTMCT-OAHLLOKOSA-N 1 2 347.459 3.758 20 10 EHCDLO CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCOC1)c1cccc(Cl)c1O ZINC000886788963 1138140668 /nfs/dbraw/zinc/14/06/68/1138140668.db2.gz LOXXKQODQIABIV-RCBQFDQVSA-N 1 2 327.852 3.528 20 10 EHCDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000281139961 1024691609 /nfs/dbraw/zinc/69/16/09/1024691609.db2.gz OGPSKSUMORZEMD-HNNXBMFYSA-N 1 2 349.862 3.998 20 10 EHCDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000281139961 1024691613 /nfs/dbraw/zinc/69/16/13/1024691613.db2.gz OGPSKSUMORZEMD-HNNXBMFYSA-N 1 2 349.862 3.998 20 10 EHCDLO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708215989 1028968763 /nfs/dbraw/zinc/96/87/63/1028968763.db2.gz PWLDRXFJGXNQFN-LBPRGKRZSA-N 1 2 348.668 3.809 20 10 EHCDLO COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708215989 1028968771 /nfs/dbraw/zinc/96/87/71/1028968771.db2.gz PWLDRXFJGXNQFN-LBPRGKRZSA-N 1 2 348.668 3.809 20 10 EHCDLO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cc(Br)cc(F)c1O ZINC000528004305 1031571039 /nfs/dbraw/zinc/57/10/39/1031571039.db2.gz DXJRWLCOFUAGKE-FDHIIDCNSA-N 1 2 346.240 3.756 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000898218713 1033374841 /nfs/dbraw/zinc/37/48/41/1033374841.db2.gz NLOWGPFXRNAHJJ-UHFFFAOYSA-N 1 2 333.844 3.922 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)c1O ZINC000761206351 1034425754 /nfs/dbraw/zinc/42/57/54/1034425754.db2.gz WZOUMVAJKVGNRF-UHFFFAOYSA-N 1 2 339.769 3.891 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+]2CCc3ccc(F)c(F)c3C2)c1O ZINC000761206351 1034425758 /nfs/dbraw/zinc/42/57/58/1034425758.db2.gz WZOUMVAJKVGNRF-UHFFFAOYSA-N 1 2 339.769 3.891 20 10 EHCDLO CCC[NH+]1CCC(N(C)Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177280946 1034945546 /nfs/dbraw/zinc/94/55/46/1034945546.db2.gz KGTRDSCGCJCTIA-UHFFFAOYSA-N 1 2 338.879 3.554 20 10 EHCDLO Cn1ccc([C@@H]([NH2+]Cc2cc(F)ccc2O)c2ccc(Cl)cc2)n1 ZINC000364103811 1039774075 /nfs/dbraw/zinc/77/40/75/1039774075.db2.gz RSCURKZVBSLAHH-SFHVURJKSA-N 1 2 345.805 3.797 20 10 EHCDLO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cc(F)cc(F)c1O ZINC000765820470 1128469099 /nfs/dbraw/zinc/46/90/99/1128469099.db2.gz XZHXFMPTMJNEEB-DYZYQPBXSA-N 1 2 341.785 3.882 20 10 EHCDLO C[C@@H](COc1cccc(F)c1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001648898790 1120063751 /nfs/dbraw/zinc/06/37/51/1120063751.db2.gz YEBSFJKMCJPGOO-JTQLQIEISA-N 1 2 327.758 3.881 20 10 EHCDLO CCS[C@@H](C)c1noc(C[N@H+](C)Cc2cc(C)cc(C)c2O)n1 ZINC000164523432 1129980170 /nfs/dbraw/zinc/98/01/70/1129980170.db2.gz JOGSKPAHSVWUAO-ZDUSSCGKSA-N 1 2 335.473 3.838 20 10 EHCDLO CCS[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)n1 ZINC000164523432 1129980173 /nfs/dbraw/zinc/98/01/73/1129980173.db2.gz JOGSKPAHSVWUAO-ZDUSSCGKSA-N 1 2 335.473 3.838 20 10 EHCDLO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C1(C)C ZINC000766087827 1130236797 /nfs/dbraw/zinc/23/67/97/1130236797.db2.gz FYZSIJIVIXCDQV-UONOGXRCSA-N 1 2 342.277 3.836 20 10 EHCDLO CN(C)c1ccc(C[N@H+](Cc2noc3c2CCCC3)C2CC2)cc1 ZINC000731279861 1130782749 /nfs/dbraw/zinc/78/27/49/1130782749.db2.gz VHOMIWOWXALVFL-UHFFFAOYSA-N 1 2 325.456 3.784 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](Cc2noc3c2CCCC3)C2CC2)cc1 ZINC000731279861 1130782753 /nfs/dbraw/zinc/78/27/53/1130782753.db2.gz VHOMIWOWXALVFL-UHFFFAOYSA-N 1 2 325.456 3.784 20 10 EHCDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000743373202 1131903908 /nfs/dbraw/zinc/90/39/08/1131903908.db2.gz YIXIJSVCDYQIOC-CQSZACIVSA-N 1 2 347.459 3.937 20 10 EHCDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000743373202 1131903914 /nfs/dbraw/zinc/90/39/14/1131903914.db2.gz YIXIJSVCDYQIOC-CQSZACIVSA-N 1 2 347.459 3.937 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1 ZINC001174770244 1132459900 /nfs/dbraw/zinc/45/99/00/1132459900.db2.gz CJYNWLIUYHKNDA-CZUORRHYSA-N 1 2 330.394 3.684 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1 ZINC001174770244 1132459904 /nfs/dbraw/zinc/45/99/04/1132459904.db2.gz CJYNWLIUYHKNDA-CZUORRHYSA-N 1 2 330.394 3.684 20 10 EHCDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c(O)cc1C ZINC000767488401 1133009733 /nfs/dbraw/zinc/00/97/33/1133009733.db2.gz GIWPJCOGUUUREG-LJQANCHMSA-N 1 2 347.842 3.936 20 10 EHCDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c(O)cc1C ZINC000767488401 1133009738 /nfs/dbraw/zinc/00/97/38/1133009738.db2.gz GIWPJCOGUUUREG-LJQANCHMSA-N 1 2 347.842 3.936 20 10 EHCDLO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000769466324 1133296136 /nfs/dbraw/zinc/29/61/36/1133296136.db2.gz LLWZOTBEZVLQKN-KRWDZBQOSA-N 1 2 337.341 3.822 20 10 EHCDLO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000769466324 1133296141 /nfs/dbraw/zinc/29/61/41/1133296141.db2.gz LLWZOTBEZVLQKN-KRWDZBQOSA-N 1 2 337.341 3.822 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](c2ccsc2)O1 ZINC000769514612 1133307595 /nfs/dbraw/zinc/30/75/95/1133307595.db2.gz NEMJMHSZACFLNQ-FZKQIMNGSA-N 1 2 334.460 3.915 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](c2ccsc2)O1 ZINC000769514612 1133307598 /nfs/dbraw/zinc/30/75/98/1133307598.db2.gz NEMJMHSZACFLNQ-FZKQIMNGSA-N 1 2 334.460 3.915 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1F ZINC000769544108 1133312019 /nfs/dbraw/zinc/31/20/19/1133312019.db2.gz UNNAAYMDPXYNTN-IBGZPJMESA-N 1 2 332.419 3.838 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1F ZINC000769544108 1133312022 /nfs/dbraw/zinc/31/20/22/1133312022.db2.gz UNNAAYMDPXYNTN-IBGZPJMESA-N 1 2 332.419 3.838 20 10 EHCDLO C[C@H]1SCC[N@H+](Cc2cc(Br)cc(F)c2O)[C@@H]1C ZINC001180198490 1133347471 /nfs/dbraw/zinc/34/74/71/1133347471.db2.gz BPNSUVZJNSWNSZ-RKDXNWHRSA-N 1 2 334.254 3.620 20 10 EHCDLO C[C@H]1SCC[N@@H+](Cc2cc(Br)cc(F)c2O)[C@@H]1C ZINC001180198490 1133347476 /nfs/dbraw/zinc/34/74/76/1133347476.db2.gz BPNSUVZJNSWNSZ-RKDXNWHRSA-N 1 2 334.254 3.620 20 10 EHCDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(Cl)c1O ZINC001182450836 1133671260 /nfs/dbraw/zinc/67/12/60/1133671260.db2.gz ADCKOCGEYBVQFV-TZMCWYRMSA-N 1 2 339.863 3.988 20 10 EHCDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(Cl)c1O ZINC001182450836 1133671264 /nfs/dbraw/zinc/67/12/64/1133671264.db2.gz ADCKOCGEYBVQFV-TZMCWYRMSA-N 1 2 339.863 3.988 20 10 EHCDLO Cc1cn2cc(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc2[nH+]1 ZINC000775593429 1135134857 /nfs/dbraw/zinc/13/48/57/1135134857.db2.gz DMGLZNVYTRVDQW-CQSZACIVSA-N 1 2 337.427 3.591 20 10 EHCDLO CC[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806133029 1135387875 /nfs/dbraw/zinc/38/78/75/1135387875.db2.gz FOHZNBSBQOSBTG-QAPCUYQASA-N 1 2 333.859 3.938 20 10 EHCDLO CC[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cccc(Cl)c1O ZINC000806132546 1135388259 /nfs/dbraw/zinc/38/82/59/1135388259.db2.gz XJZQEPIGGFIJRE-MRXNPFEDSA-N 1 2 338.879 3.925 20 10 EHCDLO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cccc(Cl)c1O ZINC000806133730 1135389294 /nfs/dbraw/zinc/38/92/94/1135389294.db2.gz CTRKWXXZQIVYCH-GUYCJALGSA-N 1 2 346.858 3.791 20 10 EHCDLO CC[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1cccc(Cl)c1O ZINC000806129336 1135395748 /nfs/dbraw/zinc/39/57/48/1135395748.db2.gz DWNAQCQNKMJJOL-INIZCTEOSA-N 1 2 332.831 3.646 20 10 EHCDLO CC[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc(Cl)c1O ZINC000806143347 1135400833 /nfs/dbraw/zinc/40/08/33/1135400833.db2.gz UQKOLFPKKDSPOM-CYBMUJFWSA-N 1 2 325.865 3.809 20 10 EHCDLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000806181596 1135406556 /nfs/dbraw/zinc/40/65/56/1135406556.db2.gz YNTZINDKUZEJOB-WBMJQRKESA-N 1 2 328.378 3.501 20 10 EHCDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000775686310 1135511372 /nfs/dbraw/zinc/51/13/72/1135511372.db2.gz HPCMMVUDUGHJTG-QGZVFWFLSA-N 1 2 347.842 3.652 20 10 EHCDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000775686310 1135511380 /nfs/dbraw/zinc/51/13/80/1135511380.db2.gz HPCMMVUDUGHJTG-QGZVFWFLSA-N 1 2 347.842 3.652 20 10 EHCDLO COc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1OC(F)F ZINC000775914986 1135863283 /nfs/dbraw/zinc/86/32/83/1135863283.db2.gz FHEIFGBQCIYMEZ-UHFFFAOYSA-N 1 2 343.757 3.945 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1Oc1ccccc1 ZINC000776005758 1135915774 /nfs/dbraw/zinc/91/57/74/1135915774.db2.gz DUVKSUGTGIZJHW-YQVWRLOYSA-N 1 2 347.842 3.760 20 10 EHCDLO Oc1c(F)cc(F)cc1C[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC001202151329 1136107689 /nfs/dbraw/zinc/10/76/89/1136107689.db2.gz TVJJXNRIVXUDTF-UHFFFAOYSA-N 1 2 338.442 3.806 20 10 EHCDLO CCCCn1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c(C)n1 ZINC000776256423 1136112622 /nfs/dbraw/zinc/11/26/22/1136112622.db2.gz ONVGYENPGJCAGD-UHFFFAOYSA-N 1 2 325.815 3.780 20 10 EHCDLO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cccc(Br)c1O ZINC000850353874 1136239299 /nfs/dbraw/zinc/23/92/99/1136239299.db2.gz OVGQVVPKHIUXCZ-UHFFFAOYSA-N 1 2 344.293 3.822 20 10 EHCDLO CO[C@@](C)(C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)C1CC1 ZINC000812734878 1136239558 /nfs/dbraw/zinc/23/95/58/1136239558.db2.gz UFBCPUYBFDWVMV-PSLIRLAXSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(F)cc(F)c1O ZINC000850531800 1136280106 /nfs/dbraw/zinc/28/01/06/1136280106.db2.gz NSNKILPVYAOIJW-NOLJZWGESA-N 1 2 333.378 3.894 20 10 EHCDLO C[C@H]1C[N@H+](Cc2cccc(Br)c2O)Cc2ccccc2O1 ZINC000814177897 1136411493 /nfs/dbraw/zinc/41/14/93/1136411493.db2.gz TYWRWPGNHYPKHU-LBPRGKRZSA-N 1 2 348.240 3.938 20 10 EHCDLO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)Cc2ccccc2O1 ZINC000814177897 1136411496 /nfs/dbraw/zinc/41/14/96/1136411496.db2.gz TYWRWPGNHYPKHU-LBPRGKRZSA-N 1 2 348.240 3.938 20 10 EHCDLO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c1O ZINC000815657940 1136622781 /nfs/dbraw/zinc/62/27/81/1136622781.db2.gz NFCAHYLHOKLKAX-CYBMUJFWSA-N 1 2 342.830 3.786 20 10 EHCDLO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816602342 1136740041 /nfs/dbraw/zinc/74/00/41/1136740041.db2.gz SIOYCUHZMJKLCS-SNVBAGLBSA-N 1 2 346.830 3.578 20 10 EHCDLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)CCC2 ZINC000858157362 1136944720 /nfs/dbraw/zinc/94/47/20/1136944720.db2.gz FFSRYXXNKRBBQZ-KRWDZBQOSA-N 1 2 348.441 3.975 20 10 EHCDLO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cc(Br)cc(F)c1O ZINC000858547076 1136977854 /nfs/dbraw/zinc/97/78/54/1136977854.db2.gz INPCCLUCOLHDJO-OLXJLDBKSA-N 1 2 344.224 3.512 20 10 EHCDLO F[C@@H]1COc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000866230079 1137336853 /nfs/dbraw/zinc/33/68/53/1137336853.db2.gz WOYKAQODYATNHW-UYAOXDASSA-N 1 2 326.415 3.848 20 10 EHCDLO C[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000846203550 1137341708 /nfs/dbraw/zinc/34/17/08/1137341708.db2.gz HXCSGDHRAPMNTI-ZJUUUORDSA-N 1 2 346.240 3.760 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@H]1CCSC1 ZINC000715760651 1137478063 /nfs/dbraw/zinc/47/80/63/1137478063.db2.gz PELCNSZLGSGNPM-VIFPVBQESA-N 1 2 334.254 3.527 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@@H]1CCCO1 ZINC000876531567 1137654642 /nfs/dbraw/zinc/65/46/42/1137654642.db2.gz JONONGWCGJCSNY-HNNXBMFYSA-N 1 2 349.377 3.557 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1ccc(F)c(F)c1O)C[C@@H]1CCCO1 ZINC000876531567 1137654643 /nfs/dbraw/zinc/65/46/43/1137654643.db2.gz JONONGWCGJCSNY-HNNXBMFYSA-N 1 2 349.377 3.557 20 10 EHCDLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000877485225 1137678070 /nfs/dbraw/zinc/67/80/70/1137678070.db2.gz MZJLTYBPHWJQBX-UHFFFAOYSA-N 1 2 349.352 3.904 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000133588900 1137900696 /nfs/dbraw/zinc/90/06/96/1137900696.db2.gz DEOGEQYKBYZQRM-UHFFFAOYSA-N 1 2 329.271 3.663 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000886520448 1138089003 /nfs/dbraw/zinc/08/90/03/1138089003.db2.gz FEKGQPSQRXGYLR-GXTWGEPZSA-N 1 2 332.423 3.651 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000091081359 1138215783 /nfs/dbraw/zinc/21/57/83/1138215783.db2.gz ZSGGIKXOYXUYLS-INIZCTEOSA-N 1 2 347.846 3.925 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000091081359 1138215785 /nfs/dbraw/zinc/21/57/85/1138215785.db2.gz ZSGGIKXOYXUYLS-INIZCTEOSA-N 1 2 347.846 3.925 20 10 EHCDLO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC001320664077 1141551559 /nfs/dbraw/zinc/55/15/59/1141551559.db2.gz DPLBUMMOKSKHAM-LPEHRKFASA-N 1 2 332.213 3.512 20 10 EHCDLO COc1ccccc1C[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000321277173 1032434114 /nfs/dbraw/zinc/43/41/14/1032434114.db2.gz FQFAADOXTWKWDS-UHFFFAOYSA-N 1 2 333.815 3.889 20 10 EHCDLO COc1ccccc1C[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000321277173 1032434121 /nfs/dbraw/zinc/43/41/21/1032434121.db2.gz FQFAADOXTWKWDS-UHFFFAOYSA-N 1 2 333.815 3.889 20 10 EHCDLO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000721837170 1025956399 /nfs/dbraw/zinc/95/63/99/1025956399.db2.gz LHOHAPBQINDLJW-JSGCOSHPSA-N 1 2 342.277 3.838 20 10 EHCDLO C[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302345313 1027126478 /nfs/dbraw/zinc/12/64/78/1027126478.db2.gz CJWOGBYTPMIKLJ-HNNXBMFYSA-N 1 2 325.460 3.706 20 10 EHCDLO C[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302345313 1027126487 /nfs/dbraw/zinc/12/64/87/1027126487.db2.gz CJWOGBYTPMIKLJ-HNNXBMFYSA-N 1 2 325.460 3.706 20 10 EHCDLO C[C@@H]([NH2+][C@@H](C)c1noc(-c2ccccc2)n1)c1cc(F)ccc1O ZINC000185767906 1035529581 /nfs/dbraw/zinc/52/95/81/1035529581.db2.gz CASROEIYJVUKQJ-NEPJUHHUSA-N 1 2 327.359 3.993 20 10 EHCDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(F)cc1O ZINC000186105206 1035586884 /nfs/dbraw/zinc/58/68/84/1035586884.db2.gz GSGXPAMHKHIVQE-LLVKDONJSA-N 1 2 329.400 3.901 20 10 EHCDLO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cn(-c2ccccc2)nn1 ZINC000191332741 1036367970 /nfs/dbraw/zinc/36/79/70/1036367970.db2.gz NHYPGTNTWYBEJC-LLVKDONJSA-N 1 2 346.793 3.616 20 10 EHCDLO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1ccc(Br)cc1O ZINC000756536712 1040168676 /nfs/dbraw/zinc/16/86/76/1040168676.db2.gz SYDGKTMKQZWPMK-VXGBXAGGSA-N 1 2 329.282 3.536 20 10 EHCDLO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(Br)cc1O ZINC000756536712 1040168686 /nfs/dbraw/zinc/16/86/86/1040168686.db2.gz SYDGKTMKQZWPMK-VXGBXAGGSA-N 1 2 329.282 3.536 20 10 EHCDLO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1Cl ZINC000765679628 1127721197 /nfs/dbraw/zinc/72/11/97/1127721197.db2.gz TUJWXOZIVMYGPU-MRXNPFEDSA-N 1 2 344.213 3.835 20 10 EHCDLO CCOCc1cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)ccc1OC ZINC000922524118 1129562053 /nfs/dbraw/zinc/56/20/53/1129562053.db2.gz AZXOMEJICINJIW-PXNSSMCTSA-N 1 2 345.414 3.793 20 10 EHCDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000743373201 1131903795 /nfs/dbraw/zinc/90/37/95/1131903795.db2.gz YIXIJSVCDYQIOC-AWEZNQCLSA-N 1 2 347.459 3.937 20 10 EHCDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000743373201 1131903804 /nfs/dbraw/zinc/90/38/04/1131903804.db2.gz YIXIJSVCDYQIOC-AWEZNQCLSA-N 1 2 347.459 3.937 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC001177061764 1133026297 /nfs/dbraw/zinc/02/62/97/1133026297.db2.gz ULOQAQCXAWPJIF-UHFFFAOYSA-N 1 2 345.805 3.719 20 10 EHCDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768173459 1133105234 /nfs/dbraw/zinc/10/52/34/1133105234.db2.gz VQKGEOHPTMHFHV-NVXWUHKLSA-N 1 2 347.459 3.584 20 10 EHCDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768173459 1133105238 /nfs/dbraw/zinc/10/52/38/1133105238.db2.gz VQKGEOHPTMHFHV-NVXWUHKLSA-N 1 2 347.459 3.584 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000768530285 1133150429 /nfs/dbraw/zinc/15/04/29/1133150429.db2.gz HDYJYPFRIOFEMV-LJQANCHMSA-N 1 2 330.859 3.980 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000768530285 1133150430 /nfs/dbraw/zinc/15/04/30/1133150430.db2.gz HDYJYPFRIOFEMV-LJQANCHMSA-N 1 2 330.859 3.980 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000769099927 1133224081 /nfs/dbraw/zinc/22/40/81/1133224081.db2.gz HFSFLZDFQHJNDA-OAHLLOKOSA-N 1 2 347.459 3.584 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000769099927 1133224087 /nfs/dbraw/zinc/22/40/87/1133224087.db2.gz HFSFLZDFQHJNDA-OAHLLOKOSA-N 1 2 347.459 3.584 20 10 EHCDLO Oc1ccc(Cl)c(F)c1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001179193960 1133237381 /nfs/dbraw/zinc/23/73/81/1133237381.db2.gz ONVFZFKHLWIXDB-GFCCVEGCSA-N 1 2 326.843 3.681 20 10 EHCDLO Oc1ccc(Cl)c(F)c1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001179193960 1133237387 /nfs/dbraw/zinc/23/73/87/1133237387.db2.gz ONVFZFKHLWIXDB-GFCCVEGCSA-N 1 2 326.843 3.681 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1ncn(-c2ccccc2)n1)C1CCCC1 ZINC000771446408 1133558961 /nfs/dbraw/zinc/55/89/61/1133558961.db2.gz LJFDVGWIRNHLJF-UHFFFAOYSA-N 1 2 348.450 3.918 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1ncn(-c2ccccc2)n1)C1CCCC1 ZINC000771446408 1133558969 /nfs/dbraw/zinc/55/89/69/1133558969.db2.gz LJFDVGWIRNHLJF-UHFFFAOYSA-N 1 2 348.450 3.918 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000785993433 1133788406 /nfs/dbraw/zinc/78/84/06/1133788406.db2.gz XONBIXNLAPCSFK-AWEZNQCLSA-N 1 2 325.742 3.937 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787332076 1133989726 /nfs/dbraw/zinc/98/97/26/1133989726.db2.gz LBTHIZQOQHZNMA-CQSZACIVSA-N 1 2 330.186 3.661 20 10 EHCDLO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000775151576 1134396078 /nfs/dbraw/zinc/39/60/78/1134396078.db2.gz IONJMGYCLXPKCD-YPMHNXCESA-N 1 2 330.291 3.774 20 10 EHCDLO COC(=O)[C@]1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCCC(C)(C)C1 ZINC001196238733 1135539385 /nfs/dbraw/zinc/53/93/85/1135539385.db2.gz UAMXDEKPDRYAAF-FQEVSTJZSA-N 1 2 332.488 3.663 20 10 EHCDLO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203884183 1135738294 /nfs/dbraw/zinc/73/82/94/1135738294.db2.gz TUZCZLQWCKTZNV-LLVKDONJSA-N 1 2 348.240 3.807 20 10 EHCDLO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203884183 1135738300 /nfs/dbraw/zinc/73/83/00/1135738300.db2.gz TUZCZLQWCKTZNV-LLVKDONJSA-N 1 2 348.240 3.807 20 10 EHCDLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775835202 1135795014 /nfs/dbraw/zinc/79/50/14/1135795014.db2.gz GAUGVOAQIBOFTO-CABCVRRESA-N 1 2 346.475 3.720 20 10 EHCDLO CC1(C)C[N@H+](Cc2cccc(Br)c2O)[C@@H]1[C@H]1CCCO1 ZINC000811511101 1136102011 /nfs/dbraw/zinc/10/20/11/1136102011.db2.gz VAGZIJFNISCILU-UKRRQHHQSA-N 1 2 340.261 3.544 20 10 EHCDLO CC1(C)C[N@@H+](Cc2cccc(Br)c2O)[C@@H]1[C@H]1CCCO1 ZINC000811511101 1136102014 /nfs/dbraw/zinc/10/20/14/1136102014.db2.gz VAGZIJFNISCILU-UKRRQHHQSA-N 1 2 340.261 3.544 20 10 EHCDLO CC[C@@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1cccc(Cl)c1O ZINC000850484995 1136268011 /nfs/dbraw/zinc/26/80/11/1136268011.db2.gz WIUKLOFYLIYIAW-GOSISDBHSA-N 1 2 346.858 3.923 20 10 EHCDLO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(Br)cc(F)c1O ZINC000850535220 1136281075 /nfs/dbraw/zinc/28/10/75/1136281075.db2.gz SRRARLVQXNIEAT-SCVCMEIPSA-N 1 2 346.240 3.902 20 10 EHCDLO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Br)c(F)cc1O ZINC000850537115 1136281716 /nfs/dbraw/zinc/28/17/16/1136281716.db2.gz RCCZCKOTBBQCEP-JVXZTZIISA-N 1 2 338.167 3.990 20 10 EHCDLO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Br)c(F)cc1O ZINC000850570907 1136289032 /nfs/dbraw/zinc/28/90/32/1136289032.db2.gz JXFKEESFYOCFDM-VHSXEESVSA-N 1 2 346.240 3.760 20 10 EHCDLO CC[N@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000851828796 1136411911 /nfs/dbraw/zinc/41/19/11/1136411911.db2.gz RPJAMJBSBLDKNU-MRXNPFEDSA-N 1 2 332.488 3.806 20 10 EHCDLO CC[N@@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000851828796 1136411914 /nfs/dbraw/zinc/41/19/14/1136411914.db2.gz RPJAMJBSBLDKNU-MRXNPFEDSA-N 1 2 332.488 3.806 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000814179815 1136412260 /nfs/dbraw/zinc/41/22/60/1136412260.db2.gz ZWIHDLSKRROMRD-CQSZACIVSA-N 1 2 330.186 3.661 20 10 EHCDLO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000815588406 1136614948 /nfs/dbraw/zinc/61/49/48/1136614948.db2.gz NMHDBORATKKCTD-AZUAARDMSA-N 1 2 347.462 3.936 20 10 EHCDLO Cc1cc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)n1-c1ccccc1 ZINC001170858824 1136792546 /nfs/dbraw/zinc/79/25/46/1136792546.db2.gz RDMJSLXIEMBTRU-UHFFFAOYSA-N 1 2 344.418 3.900 20 10 EHCDLO CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000817954564 1136851008 /nfs/dbraw/zinc/85/10/08/1136851008.db2.gz YWWBLVQOAUBDOV-FZKQIMNGSA-N 1 2 343.427 3.774 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824751428 1137152386 /nfs/dbraw/zinc/15/23/86/1137152386.db2.gz WGOVDCHUEAFIKT-LBPRGKRZSA-N 1 2 340.261 3.594 20 10 EHCDLO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cccc(Br)c1O)C(C)C ZINC000824846404 1137155721 /nfs/dbraw/zinc/15/57/21/1137155721.db2.gz RLDUPGJONLSNSI-UKRRQHHQSA-N 1 2 344.293 3.533 20 10 EHCDLO CCc1nc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)co1 ZINC000825061918 1137164116 /nfs/dbraw/zinc/16/41/16/1137164116.db2.gz LYSLDMICGXTVRK-UHFFFAOYSA-N 1 2 327.350 3.612 20 10 EHCDLO Oc1ccc(Br)cc1CNc1[nH+]cccc1-n1cccc1 ZINC001171173884 1137283048 /nfs/dbraw/zinc/28/30/48/1137283048.db2.gz AQGUBSWQKZVCFR-UHFFFAOYSA-N 1 2 344.212 3.953 20 10 EHCDLO COCc1cc[nH+]c(N[C@@H](C)c2ccc(Br)cc2O)c1 ZINC000846214513 1137341539 /nfs/dbraw/zinc/34/15/39/1137341539.db2.gz ZORZLXYKCWBQTE-JTQLQIEISA-N 1 2 337.217 3.869 20 10 EHCDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876795608 1137661471 /nfs/dbraw/zinc/66/14/71/1137661471.db2.gz RYJASQQTMVSNEU-QVQLBTGDSA-N 1 2 339.407 3.601 20 10 EHCDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876795608 1137661472 /nfs/dbraw/zinc/66/14/72/1137661472.db2.gz RYJASQQTMVSNEU-QVQLBTGDSA-N 1 2 339.407 3.601 20 10 EHCDLO CC(C)(C)CC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000877696733 1137686072 /nfs/dbraw/zinc/68/60/72/1137686072.db2.gz XALMAMKUWJOLNO-UHFFFAOYSA-N 1 2 338.879 3.562 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc2ccccc2n1C ZINC000883012690 1137841558 /nfs/dbraw/zinc/84/15/58/1137841558.db2.gz ORGLDSHTFDVAIF-GFCCVEGCSA-N 1 2 344.409 3.768 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136676148 1138040694 /nfs/dbraw/zinc/04/06/94/1138040694.db2.gz QOSOXRIWWXBVIX-ZDUSSCGKSA-N 1 2 340.261 3.736 20 10 EHCDLO C[C@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1c(O)cccc1F ZINC000886631678 1138104147 /nfs/dbraw/zinc/10/41/47/1138104147.db2.gz UBYWEJOFXJKQAZ-WMLDXEAASA-N 1 2 339.414 3.899 20 10 EHCDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)n1 ZINC000748093118 1016107577 /nfs/dbraw/zinc/10/75/77/1016107577.db2.gz IZVRFEOMUUUUBK-ZDUSSCGKSA-N 1 2 347.459 3.721 20 10 EHCDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)n1 ZINC000748093118 1016107582 /nfs/dbraw/zinc/10/75/82/1016107582.db2.gz IZVRFEOMUUUUBK-ZDUSSCGKSA-N 1 2 347.459 3.721 20 10 EHCDLO C[C@H](C[NH2+]Cc1cccc(Br)c1O)c1nccs1 ZINC000230694802 1032821139 /nfs/dbraw/zinc/82/11/39/1032821139.db2.gz ZFLKESMUAMCQMO-SECBINFHSA-N 1 2 327.247 3.505 20 10 EHCDLO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894421763 1022261137 /nfs/dbraw/zinc/26/11/37/1022261137.db2.gz GMJMHBTYGZAFSM-SNVBAGLBSA-N 1 2 339.208 3.882 20 10 EHCDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894421763 1022261152 /nfs/dbraw/zinc/26/11/52/1022261152.db2.gz GMJMHBTYGZAFSM-SNVBAGLBSA-N 1 2 339.208 3.882 20 10 EHCDLO CC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H]1CCCOC1 ZINC000723952649 1022767155 /nfs/dbraw/zinc/76/71/55/1022767155.db2.gz BYMGRQUXJFHHCP-IINYFYTJSA-N 1 2 346.240 3.589 20 10 EHCDLO CCc1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000111233066 1026241852 /nfs/dbraw/zinc/24/18/52/1026241852.db2.gz TVZYORKCHZUTDZ-INIZCTEOSA-N 1 2 332.469 3.592 20 10 EHCDLO CCc1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000111233066 1026241860 /nfs/dbraw/zinc/24/18/60/1026241860.db2.gz TVZYORKCHZUTDZ-INIZCTEOSA-N 1 2 332.469 3.592 20 10 EHCDLO OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1C(F)(F)F ZINC000897330962 1028294741 /nfs/dbraw/zinc/29/47/41/1028294741.db2.gz KBMBWBSKKHOGDT-CQSZACIVSA-N 1 2 345.748 3.888 20 10 EHCDLO CC[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cccc(Cl)c1O ZINC000528007248 1031575883 /nfs/dbraw/zinc/57/58/83/1031575883.db2.gz YRZDEOMWJWCRBJ-IRXDYDNUSA-N 1 2 344.842 3.913 20 10 EHCDLO CCOc1ccc(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC001168332377 1034250231 /nfs/dbraw/zinc/25/02/31/1034250231.db2.gz XQCYBFFBYMQKEJ-UHFFFAOYSA-N 1 2 332.394 3.686 20 10 EHCDLO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1noc(-c2ccccc2)n1 ZINC000185767943 1035529618 /nfs/dbraw/zinc/52/96/18/1035529618.db2.gz CASROEIYJVUKQJ-VXGBXAGGSA-N 1 2 327.359 3.993 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccccc1 ZINC000180941008 1038292812 /nfs/dbraw/zinc/29/28/12/1038292812.db2.gz WQZIKVYSAPHDHV-HNNXBMFYSA-N 1 2 343.423 3.527 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccccc1 ZINC000180941008 1038292816 /nfs/dbraw/zinc/29/28/16/1038292816.db2.gz WQZIKVYSAPHDHV-HNNXBMFYSA-N 1 2 343.423 3.527 20 10 EHCDLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nccn1C ZINC000378620077 1038775854 /nfs/dbraw/zinc/77/58/54/1038775854.db2.gz FSQIJXLWUCRDFD-AUUYWEPGSA-N 1 2 337.423 3.575 20 10 EHCDLO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756534576 1040141151 /nfs/dbraw/zinc/14/11/51/1040141151.db2.gz KGHMTASUGUARGS-MNOVXSKESA-N 1 2 347.272 3.675 20 10 EHCDLO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756648167 1041671123 /nfs/dbraw/zinc/67/11/23/1041671123.db2.gz ZCPXQNYWIUJJTR-OUAUKWLOSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@@]1(CF)CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367968 1042663199 /nfs/dbraw/zinc/66/31/99/1042663199.db2.gz YMDPLIMHRHJONI-ZDUSSCGKSA-N 1 2 336.632 3.990 20 10 EHCDLO C[C@@]1(CF)CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367968 1042663202 /nfs/dbraw/zinc/66/32/02/1042663202.db2.gz YMDPLIMHRHJONI-ZDUSSCGKSA-N 1 2 336.632 3.990 20 10 EHCDLO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc(Cl)c1 ZINC000765683244 1127724898 /nfs/dbraw/zinc/72/48/98/1127724898.db2.gz OUOUOTSJCBQSKN-MRXNPFEDSA-N 1 2 344.213 3.835 20 10 EHCDLO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccc(N2CCOCC2)cc1 ZINC000762518074 1121336535 /nfs/dbraw/zinc/33/65/35/1121336535.db2.gz ALVASBDKJHNJEF-OAHLLOKOSA-N 1 2 336.439 3.583 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c(O)ccc2ccncc21 ZINC000732187692 1130892495 /nfs/dbraw/zinc/89/24/95/1130892495.db2.gz SSTDMMRDUHIZKE-QGZVFWFLSA-N 1 2 347.462 3.647 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1c(O)ccc2ccncc21 ZINC000732187692 1130892501 /nfs/dbraw/zinc/89/25/01/1130892501.db2.gz SSTDMMRDUHIZKE-QGZVFWFLSA-N 1 2 347.462 3.647 20 10 EHCDLO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C12CCC2 ZINC000742373758 1131717122 /nfs/dbraw/zinc/71/71/22/1131717122.db2.gz ISTPQPWVBRPIAL-KGLIPLIRSA-N 1 2 340.261 3.592 20 10 EHCDLO CC(=O)N1CCC[C@H](C[NH2+]c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001168780313 1132511720 /nfs/dbraw/zinc/51/17/20/1132511720.db2.gz UYQXWWPKQAYKIF-GOSISDBHSA-N 1 2 325.456 3.765 20 10 EHCDLO Oc1cccc(Cl)c1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000768885720 1133196650 /nfs/dbraw/zinc/19/66/50/1133196650.db2.gz JKCLGDWYGNDFQX-UHFFFAOYSA-N 1 2 339.826 3.790 20 10 EHCDLO Oc1cccc(Cl)c1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000768885720 1133196652 /nfs/dbraw/zinc/19/66/52/1133196652.db2.gz JKCLGDWYGNDFQX-UHFFFAOYSA-N 1 2 339.826 3.790 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1F ZINC000768892912 1133198273 /nfs/dbraw/zinc/19/82/73/1133198273.db2.gz UCNQNWAAHOEVDV-MRXNPFEDSA-N 1 2 330.451 3.775 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1F ZINC000768892912 1133198276 /nfs/dbraw/zinc/19/82/76/1133198276.db2.gz UCNQNWAAHOEVDV-MRXNPFEDSA-N 1 2 330.451 3.775 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000773829317 1133283307 /nfs/dbraw/zinc/28/33/07/1133283307.db2.gz AVVLZNAVIMWXGT-UHFFFAOYSA-N 1 2 346.478 3.887 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000773829317 1133283313 /nfs/dbraw/zinc/28/33/13/1133283313.db2.gz AVVLZNAVIMWXGT-UHFFFAOYSA-N 1 2 346.478 3.887 20 10 EHCDLO CCCN(CCC)c1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1 ZINC000769467807 1133296543 /nfs/dbraw/zinc/29/65/43/1133296543.db2.gz ZDFLTWKINJPUMQ-MFEFFIJZSA-N 1 2 336.545 3.654 20 10 EHCDLO CCCN(CCC)c1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1 ZINC000769467807 1133296546 /nfs/dbraw/zinc/29/65/46/1133296546.db2.gz ZDFLTWKINJPUMQ-MFEFFIJZSA-N 1 2 336.545 3.654 20 10 EHCDLO COc1cc(C)cc(C[N@@H+]2Cc3cccc(Br)c3C2)c1O ZINC000769778578 1133340572 /nfs/dbraw/zinc/34/05/72/1133340572.db2.gz DHBYPKJNNGZSSR-UHFFFAOYSA-N 1 2 348.240 3.988 20 10 EHCDLO COc1cc(C)cc(C[N@H+]2Cc3cccc(Br)c3C2)c1O ZINC000769778578 1133340579 /nfs/dbraw/zinc/34/05/79/1133340579.db2.gz DHBYPKJNNGZSSR-UHFFFAOYSA-N 1 2 348.240 3.988 20 10 EHCDLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC001180933888 1133431800 /nfs/dbraw/zinc/43/18/00/1133431800.db2.gz DEXDGALSHABIMW-ZDUSSCGKSA-N 1 2 349.471 3.614 20 10 EHCDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC001180933888 1133431802 /nfs/dbraw/zinc/43/18/02/1133431802.db2.gz DEXDGALSHABIMW-ZDUSSCGKSA-N 1 2 349.471 3.614 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787332072 1133989911 /nfs/dbraw/zinc/98/99/11/1133989911.db2.gz LBTHIZQOQHZNMA-AWEZNQCLSA-N 1 2 330.186 3.661 20 10 EHCDLO COc1ccc[nH+]c1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000793031138 1134839365 /nfs/dbraw/zinc/83/93/65/1134839365.db2.gz CAVDDNVQTWOQQL-UHFFFAOYSA-N 1 2 325.334 3.787 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(Cl)c1O ZINC000806136160 1135389614 /nfs/dbraw/zinc/38/96/14/1135389614.db2.gz TVONKEWWUMWHRS-MFKMUULPSA-N 1 2 336.785 3.723 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1cccc(Cl)c1O ZINC000806162212 1135405922 /nfs/dbraw/zinc/40/59/22/1135405922.db2.gz YLSNVVVMBYNNQS-CRAIPNDOSA-N 1 2 333.859 3.998 20 10 EHCDLO C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000806179413 1135412265 /nfs/dbraw/zinc/41/22/65/1135412265.db2.gz CUEWHDWTKKQUIR-ZYHUDNBSSA-N 1 2 341.785 3.751 20 10 EHCDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(Cl)cc(F)c1O ZINC000775723999 1135575118 /nfs/dbraw/zinc/57/51/18/1135575118.db2.gz BPAYQBQMYGHNJD-UHFFFAOYSA-N 1 2 327.783 3.735 20 10 EHCDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(Cl)cc(F)c1O ZINC000775723999 1135575123 /nfs/dbraw/zinc/57/51/23/1135575123.db2.gz BPAYQBQMYGHNJD-UHFFFAOYSA-N 1 2 327.783 3.735 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000809770268 1135880284 /nfs/dbraw/zinc/88/02/84/1135880284.db2.gz UZDMPYFMUPXLMA-CQSZACIVSA-N 1 2 345.748 3.888 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758111 1135887766 /nfs/dbraw/zinc/88/77/66/1135887766.db2.gz COJSZEZGXSJNSK-STQMWFEESA-N 1 2 327.827 3.823 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758111 1135887770 /nfs/dbraw/zinc/88/77/70/1135887770.db2.gz COJSZEZGXSJNSK-STQMWFEESA-N 1 2 327.827 3.823 20 10 EHCDLO [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000809794467 1135893168 /nfs/dbraw/zinc/89/31/68/1135893168.db2.gz YQMMEHRQNXHSFB-UHFFFAOYSA-N 1 2 345.805 3.719 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000810026897 1135911539 /nfs/dbraw/zinc/91/15/39/1135911539.db2.gz XNHZGYNDYVNJAE-WBVHZDCISA-N 1 2 337.847 3.638 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000810026897 1135911541 /nfs/dbraw/zinc/91/15/41/1135911541.db2.gz XNHZGYNDYVNJAE-WBVHZDCISA-N 1 2 337.847 3.638 20 10 EHCDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1Oc1ccccc1 ZINC000776005762 1135915562 /nfs/dbraw/zinc/91/55/62/1135915562.db2.gz DUVKSUGTGIZJHW-ZHALLVOQSA-N 1 2 347.842 3.760 20 10 EHCDLO CC1(C)C[N@H+](Cc2cccc(Br)c2O)[C@H]1[C@H]1CCCO1 ZINC000811511100 1136101960 /nfs/dbraw/zinc/10/19/60/1136101960.db2.gz VAGZIJFNISCILU-HIFRSBDPSA-N 1 2 340.261 3.544 20 10 EHCDLO CC1(C)C[N@@H+](Cc2cccc(Br)c2O)[C@H]1[C@H]1CCCO1 ZINC000811511100 1136101962 /nfs/dbraw/zinc/10/19/62/1136101962.db2.gz VAGZIJFNISCILU-HIFRSBDPSA-N 1 2 340.261 3.544 20 10 EHCDLO Cc1cc(O)c(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc1C ZINC000811837971 1136143572 /nfs/dbraw/zinc/14/35/72/1136143572.db2.gz MYOWFBSWTMIGAD-UHFFFAOYSA-N 1 2 326.318 3.957 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000812773128 1136245182 /nfs/dbraw/zinc/24/51/82/1136245182.db2.gz XTYMDDZVPJXTKK-ZDUSSCGKSA-N 1 2 334.822 3.801 20 10 EHCDLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)c(Cl)cc1O ZINC000850499461 1136272231 /nfs/dbraw/zinc/27/22/31/1136272231.db2.gz QDJWGDFFTZCXJE-LWINAJNOSA-N 1 2 327.215 3.647 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cccc(Cl)c1O ZINC000850503191 1136273184 /nfs/dbraw/zinc/27/31/84/1136273184.db2.gz UZVLPUZGFOTPMI-JFYLMFJFSA-N 1 2 329.893 3.776 20 10 EHCDLO CCc1nnc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000815627870 1136621503 /nfs/dbraw/zinc/62/15/03/1136621503.db2.gz LZCGVSWPSCXJST-MRVPVSSYSA-N 1 2 331.363 3.676 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cccc(Cl)c1O ZINC000817975152 1136854284 /nfs/dbraw/zinc/85/42/84/1136854284.db2.gz RDWPXSJPXZCTAA-MSOLQXFVSA-N 1 2 330.859 3.973 20 10 EHCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)c1ccccn1 ZINC000824584241 1137145301 /nfs/dbraw/zinc/14/53/01/1137145301.db2.gz YHUOXGMQIPJLSR-UHFFFAOYSA-N 1 2 335.245 3.617 20 10 EHCDLO CCCN(CCC)c1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000824758093 1137152571 /nfs/dbraw/zinc/15/25/71/1137152571.db2.gz JFZGJPBIWVGMJH-UHFFFAOYSA-N 1 2 334.895 3.990 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CCC1(F)F ZINC001144299212 1137268463 /nfs/dbraw/zinc/26/84/63/1137268463.db2.gz RPOLOMVFJKNSBX-MRVPVSSYSA-N 1 2 338.167 3.771 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CCC1(F)F ZINC001144299212 1137268464 /nfs/dbraw/zinc/26/84/64/1137268464.db2.gz RPOLOMVFJKNSBX-MRVPVSSYSA-N 1 2 338.167 3.771 20 10 EHCDLO CC(C)[N@H+](CCCCCO)Cc1cc(Br)c(F)cc1O ZINC001144307957 1137271284 /nfs/dbraw/zinc/27/12/84/1137271284.db2.gz MVMUIWHJEGUHKO-UHFFFAOYSA-N 1 2 348.256 3.667 20 10 EHCDLO CC(C)[N@@H+](CCCCCO)Cc1cc(Br)c(F)cc1O ZINC001144307957 1137271285 /nfs/dbraw/zinc/27/12/85/1137271285.db2.gz MVMUIWHJEGUHKO-UHFFFAOYSA-N 1 2 348.256 3.667 20 10 EHCDLO COCc1cc[nH+]c(N[C@H](C)c2ccc(Br)cc2O)c1 ZINC000846214515 1137341589 /nfs/dbraw/zinc/34/15/89/1137341589.db2.gz ZORZLXYKCWBQTE-SNVBAGLBSA-N 1 2 337.217 3.869 20 10 EHCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)c1 ZINC000866597036 1137367709 /nfs/dbraw/zinc/36/77/09/1137367709.db2.gz WKQYANAFNJRLTA-BDJLRTHQSA-N 1 2 335.350 3.679 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716052903 1137478934 /nfs/dbraw/zinc/47/89/34/1137478934.db2.gz ZIWKMZHQHJGQEI-VGPLMAKISA-N 1 2 342.302 3.919 20 10 EHCDLO CC(=O)C1CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000879952794 1137763017 /nfs/dbraw/zinc/76/30/17/1137763017.db2.gz QEPYWFIPLNCODB-UHFFFAOYSA-N 1 2 338.451 3.578 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nccn1-c1ccccc1 ZINC001202619347 1137887898 /nfs/dbraw/zinc/88/78/98/1137887898.db2.gz SUNBIFVTHDMMRA-GFCCVEGCSA-N 1 2 329.350 3.707 20 10 EHCDLO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC001649170939 1138020466 /nfs/dbraw/zinc/02/04/66/1138020466.db2.gz HWAFLLXZKIODJU-DYVFJYSZSA-N 1 2 332.394 3.596 20 10 EHCDLO CCn1ncnc1C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000193458245 1140577282 /nfs/dbraw/zinc/57/72/82/1140577282.db2.gz UZTGLXPQPJEVAX-INIZCTEOSA-N 1 2 336.439 3.767 20 10 EHCDLO CCn1ncnc1C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000193458245 1140577287 /nfs/dbraw/zinc/57/72/87/1140577287.db2.gz UZTGLXPQPJEVAX-INIZCTEOSA-N 1 2 336.439 3.767 20 10 EHCDLO C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000377795599 1018380003 /nfs/dbraw/zinc/38/00/03/1018380003.db2.gz FYGQERHGIBQVMP-IUCAKERBSA-N 1 2 326.227 3.630 20 10 EHCDLO C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000894603559 1022597848 /nfs/dbraw/zinc/59/78/48/1022597848.db2.gz TVZGKRSTJOSEAX-CQSZACIVSA-N 1 2 348.668 3.545 20 10 EHCDLO C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000894603559 1022597853 /nfs/dbraw/zinc/59/78/53/1022597853.db2.gz TVZGKRSTJOSEAX-CQSZACIVSA-N 1 2 348.668 3.545 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000895799557 1024853933 /nfs/dbraw/zinc/85/39/33/1024853933.db2.gz UFACNXZMRCIXJU-HNNXBMFYSA-N 1 2 339.863 3.501 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000896424085 1025437311 /nfs/dbraw/zinc/43/73/11/1025437311.db2.gz XRLSLCHEESLEOA-CJNGLKHVSA-N 1 2 325.742 3.746 20 10 EHCDLO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@@H](O)C(C)C ZINC000840884115 1027441056 /nfs/dbraw/zinc/44/10/56/1027441056.db2.gz ZIKMWCHBVWLQDE-IIMNLJJBSA-N 1 2 348.256 3.740 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000708139785 1027875610 /nfs/dbraw/zinc/87/56/10/1027875610.db2.gz IPTVCUWTVKPZCZ-AWEZNQCLSA-N 1 2 346.652 3.563 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000708139785 1027875628 /nfs/dbraw/zinc/87/56/28/1027875628.db2.gz IPTVCUWTVKPZCZ-AWEZNQCLSA-N 1 2 346.652 3.563 20 10 EHCDLO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Br)c(F)cc1O ZINC000527932452 1031495642 /nfs/dbraw/zinc/49/56/42/1031495642.db2.gz TVPFAZXDZODSKR-WDEREUQCSA-N 1 2 346.240 3.761 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1cccc(Cl)c1O ZINC000527997089 1031557355 /nfs/dbraw/zinc/55/73/55/1031557355.db2.gz GWLBCPPQZHQQIW-GDBMZVCRSA-N 1 2 330.815 3.650 20 10 EHCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cccc(Cl)c1O ZINC000897391940 1032020807 /nfs/dbraw/zinc/02/08/07/1032020807.db2.gz GMIMIBLVEVSKAS-UHFFFAOYSA-N 1 2 331.807 3.552 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccccc1OCC(F)F ZINC000898216483 1033373258 /nfs/dbraw/zinc/37/32/58/1033373258.db2.gz XPBHCPMKHGTIII-UHFFFAOYSA-N 1 2 327.758 3.979 20 10 EHCDLO CCOCc1cc(C[NH2+]Cc2cccc(Cl)c2O)ccc1OC ZINC000898219894 1033375285 /nfs/dbraw/zinc/37/52/85/1033375285.db2.gz OSPIGUCKPMKABV-UHFFFAOYSA-N 1 2 335.831 3.881 20 10 EHCDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(Cl)cc(OC)c1O ZINC000761222189 1034787171 /nfs/dbraw/zinc/78/71/71/1034787171.db2.gz NOALNRVAPFWEAQ-UHFFFAOYSA-N 1 2 343.851 3.608 20 10 EHCDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(Cl)cc(OC)c1O ZINC000761222189 1034787184 /nfs/dbraw/zinc/78/71/84/1034787184.db2.gz NOALNRVAPFWEAQ-UHFFFAOYSA-N 1 2 343.851 3.608 20 10 EHCDLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nccn1C ZINC000378620080 1038776462 /nfs/dbraw/zinc/77/64/62/1038776462.db2.gz FSQIJXLWUCRDFD-IFXJQAMLSA-N 1 2 337.423 3.575 20 10 EHCDLO CC(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)N1CCC(C)CC1 ZINC001177256222 1133046843 /nfs/dbraw/zinc/04/68/43/1133046843.db2.gz BRBCOVXELVSPFP-QGZVFWFLSA-N 1 2 326.431 3.517 20 10 EHCDLO CN(C)c1ccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1F ZINC001177954267 1133121299 /nfs/dbraw/zinc/12/12/99/1133121299.db2.gz DWFGZFREBBSAML-UHFFFAOYSA-N 1 2 330.300 3.738 20 10 EHCDLO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC001179771373 1133277331 /nfs/dbraw/zinc/27/73/31/1133277331.db2.gz AYKFUEWRPXWJJN-WMLDXEAASA-N 1 2 330.859 3.971 20 10 EHCDLO COCC[N@H+](Cc1cc(Br)cc(F)c1O)C1CCCC1 ZINC001179859527 1133295008 /nfs/dbraw/zinc/29/50/08/1133295008.db2.gz QSPBXIBFMCFOLM-UHFFFAOYSA-N 1 2 346.240 3.685 20 10 EHCDLO COCC[N@@H+](Cc1cc(Br)cc(F)c1O)C1CCCC1 ZINC001179859527 1133295011 /nfs/dbraw/zinc/29/50/11/1133295011.db2.gz QSPBXIBFMCFOLM-UHFFFAOYSA-N 1 2 346.240 3.685 20 10 EHCDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1nc(Cc2ccccc2)no1 ZINC001181435503 1133492357 /nfs/dbraw/zinc/49/23/57/1133492357.db2.gz DSJCURSRKZXCNC-LBPRGKRZSA-N 1 2 343.814 3.870 20 10 EHCDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(Cl)c1O ZINC001182450835 1133671082 /nfs/dbraw/zinc/67/10/82/1133671082.db2.gz ADCKOCGEYBVQFV-OCCSQVGLSA-N 1 2 339.863 3.988 20 10 EHCDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(Cl)c1O ZINC001182450835 1133671086 /nfs/dbraw/zinc/67/10/86/1133671086.db2.gz ADCKOCGEYBVQFV-OCCSQVGLSA-N 1 2 339.863 3.988 20 10 EHCDLO CCOC(=O)[C@](C)(C[NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000787436511 1134003634 /nfs/dbraw/zinc/00/36/34/1134003634.db2.gz CQOVODSQGXYXTE-LJQANCHMSA-N 1 2 347.842 3.656 20 10 EHCDLO CCC(O)(CC)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000788263993 1134103405 /nfs/dbraw/zinc/10/34/05/1134103405.db2.gz WEFYJFRUORAEQX-SNVBAGLBSA-N 1 2 348.256 3.886 20 10 EHCDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000788742450 1134169112 /nfs/dbraw/zinc/16/91/12/1134169112.db2.gz WGHDSAIZQJEUSZ-SFYZADRCSA-N 1 2 331.363 3.983 20 10 EHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000790930639 1134479555 /nfs/dbraw/zinc/47/95/55/1134479555.db2.gz GDFFNFBFGQURRZ-AWEZNQCLSA-N 1 2 342.277 3.710 20 10 EHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000790930639 1134479557 /nfs/dbraw/zinc/47/95/57/1134479557.db2.gz GDFFNFBFGQURRZ-AWEZNQCLSA-N 1 2 342.277 3.710 20 10 EHCDLO C[C@H]1C[C@H]([NH2+]CCc2ccc3cn[nH]c3c2)c2c1c(F)ccc2O ZINC000793576018 1134961173 /nfs/dbraw/zinc/96/11/73/1134961173.db2.gz XBYKZFVZGYMSKO-ZBEGNZNMSA-N 1 2 325.387 3.788 20 10 EHCDLO CC[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cccc(Cl)c1O ZINC000806134786 1135389210 /nfs/dbraw/zinc/38/92/10/1135389210.db2.gz NXRZTVPAYAOFHU-AWEZNQCLSA-N 1 2 333.819 3.510 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806162440 1135405026 /nfs/dbraw/zinc/40/50/26/1135405026.db2.gz XMEDHFRAXDEKON-SMDDNHRTSA-N 1 2 342.867 4.000 20 10 EHCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)no1 ZINC000810255216 1135949404 /nfs/dbraw/zinc/94/94/04/1135949404.db2.gz MWTURVGREFKRTN-WDEREUQCSA-N 1 2 339.823 3.685 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc([S@](C)=O)cc1 ZINC000776253106 1136102312 /nfs/dbraw/zinc/10/23/12/1136102312.db2.gz RZKHEQAOIJPYNW-MGUXCZDKSA-N 1 2 341.835 3.773 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000776255813 1136111057 /nfs/dbraw/zinc/11/10/57/1136111057.db2.gz JAMLOYCGTNVTSN-YRGRVCCFSA-N 1 2 333.881 3.654 20 10 EHCDLO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000850480982 1136266731 /nfs/dbraw/zinc/26/67/31/1136266731.db2.gz DBVRQEVSWLJZIO-WCBMZHEXSA-N 1 2 332.213 3.512 20 10 EHCDLO COc1cccc([C@H](C)[NH2+]CC(F)(F)c2cccc(F)c2)c1O ZINC000850503941 1136273398 /nfs/dbraw/zinc/27/33/98/1136273398.db2.gz QMMFRVAZWXMUJE-NSHDSACASA-N 1 2 325.330 3.983 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856807727 1136813705 /nfs/dbraw/zinc/81/37/05/1136813705.db2.gz RJSNVEBVYJZHPF-VIFPVBQESA-N 1 2 339.060 3.828 20 10 EHCDLO Cc1csc(C2([NH2+]Cc3cc(F)c(N(C)C)cc3F)CCC2)n1 ZINC000858119509 1136941533 /nfs/dbraw/zinc/94/15/33/1136941533.db2.gz JCVXVBCLKDUXQH-UHFFFAOYSA-N 1 2 337.439 3.965 20 10 EHCDLO CN(Cc1ccc(N2CCOCC2)cc1)c1[nH+]ccc2ccccc21 ZINC000858326720 1136958462 /nfs/dbraw/zinc/95/84/62/1136958462.db2.gz BQLQPTVXJORVPX-UHFFFAOYSA-N 1 2 333.435 3.708 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000012516578 1136987582 /nfs/dbraw/zinc/98/75/82/1136987582.db2.gz LLTPOQBASKZRIV-UHFFFAOYSA-N 1 2 349.434 3.672 20 10 EHCDLO CN(C)c1ccc(C[N@H+](C)Cc2ccncc2Br)cc1 ZINC000859068039 1137001902 /nfs/dbraw/zinc/00/19/02/1137001902.db2.gz QQYCVALIAPJEPW-UHFFFAOYSA-N 1 2 334.261 3.542 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccncc2Br)cc1 ZINC000859068039 1137001904 /nfs/dbraw/zinc/00/19/04/1137001904.db2.gz QQYCVALIAPJEPW-UHFFFAOYSA-N 1 2 334.261 3.542 20 10 EHCDLO Oc1cc(Br)ccc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000824548003 1137144098 /nfs/dbraw/zinc/14/40/98/1137144098.db2.gz HHXWJOVEANYNHX-QGZVFWFLSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1cc(Br)ccc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000824548003 1137144100 /nfs/dbraw/zinc/14/41/00/1137144100.db2.gz HHXWJOVEANYNHX-QGZVFWFLSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824695944 1137148886 /nfs/dbraw/zinc/14/88/86/1137148886.db2.gz FEOBNIAEQCAEFU-IMJJTQAJSA-N 1 2 327.827 3.700 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824695944 1137148887 /nfs/dbraw/zinc/14/88/87/1137148887.db2.gz FEOBNIAEQCAEFU-IMJJTQAJSA-N 1 2 327.827 3.700 20 10 EHCDLO CCCCc1noc([C@@H](C)[N@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844400036 1137217157 /nfs/dbraw/zinc/21/71/57/1137217157.db2.gz SWFAGGGUZXFTFS-OAHLLOKOSA-N 1 2 346.475 3.550 20 10 EHCDLO CCCCc1noc([C@@H](C)[N@@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844400036 1137217159 /nfs/dbraw/zinc/21/71/59/1137217159.db2.gz SWFAGGGUZXFTFS-OAHLLOKOSA-N 1 2 346.475 3.550 20 10 EHCDLO C[C@H](CC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1)n1cc[nH+]c1 ZINC000845620033 1137301253 /nfs/dbraw/zinc/30/12/53/1137301253.db2.gz ZLRVDOUVBTWOQZ-CQSZACIVSA-N 1 2 337.423 3.810 20 10 EHCDLO Oc1c(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)ccc(F)c1F ZINC000877570195 1137681528 /nfs/dbraw/zinc/68/15/28/1137681528.db2.gz DUJFDKWPQNTWQC-NSHDSACASA-N 1 2 329.268 3.865 20 10 EHCDLO OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1cccc(C(F)(F)F)c1 ZINC000877664188 1137684957 /nfs/dbraw/zinc/68/49/57/1137684957.db2.gz MFLWAKGTOMCDJW-CQSZACIVSA-N 1 2 345.748 3.888 20 10 EHCDLO Cc1cc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc(C)n1 ZINC000883146908 1137846230 /nfs/dbraw/zinc/84/62/30/1137846230.db2.gz CYVYXVGKAKJRLM-UHFFFAOYSA-N 1 2 339.208 3.595 20 10 EHCDLO COc1ccc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)cc1C ZINC000266454990 1140689206 /nfs/dbraw/zinc/68/92/06/1140689206.db2.gz KPNQWCKLNQXUIN-OAHLLOKOSA-N 1 2 337.423 3.828 20 10 EHCDLO Oc1ccc(Br)cc1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000120493349 1015327750 /nfs/dbraw/zinc/32/77/50/1015327750.db2.gz HPZSIMHVSNAUFN-UHFFFAOYSA-N 1 2 344.212 3.953 20 10 EHCDLO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000897043407 1026276374 /nfs/dbraw/zinc/27/63/74/1026276374.db2.gz LBOONDHUWKYCRD-MWLCHTKSSA-N 1 2 339.798 3.556 20 10 EHCDLO Oc1cccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)c1 ZINC000708125608 1027807927 /nfs/dbraw/zinc/80/79/27/1027807927.db2.gz VQIDMKMOPJQPAX-UHFFFAOYSA-N 1 2 342.620 3.804 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000271896754 1029220225 /nfs/dbraw/zinc/22/02/25/1029220225.db2.gz YLXWJZLHRSVHOJ-ZDUSSCGKSA-N 1 2 333.819 3.686 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000271896754 1029220236 /nfs/dbraw/zinc/22/02/36/1029220236.db2.gz YLXWJZLHRSVHOJ-ZDUSSCGKSA-N 1 2 333.819 3.686 20 10 EHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCc1c[nH]c[nH+]1 ZINC000193754796 1041127065 /nfs/dbraw/zinc/12/70/65/1041127065.db2.gz FYHWXUGDJIIWHB-INIZCTEOSA-N 1 2 349.434 3.838 20 10 EHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCc1c[nH+]c[nH]1 ZINC000193754796 1041127071 /nfs/dbraw/zinc/12/70/71/1041127071.db2.gz FYHWXUGDJIIWHB-INIZCTEOSA-N 1 2 349.434 3.838 20 10 EHCDLO COc1cc(C)cc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1O ZINC000184957265 1126720008 /nfs/dbraw/zinc/72/00/08/1126720008.db2.gz FOCIPPXXQJBNBL-HNNXBMFYSA-N 1 2 346.496 3.650 20 10 EHCDLO COc1cc(C[N@@H+]2Cc3ccc(Br)cc3C2)c(O)cc1C ZINC000764951237 1127556472 /nfs/dbraw/zinc/55/64/72/1127556472.db2.gz QACIBIXTXTYHDY-UHFFFAOYSA-N 1 2 348.240 3.988 20 10 EHCDLO COc1cc(C[N@H+]2Cc3ccc(Br)cc3C2)c(O)cc1C ZINC000764951237 1127556475 /nfs/dbraw/zinc/55/64/75/1127556475.db2.gz QACIBIXTXTYHDY-UHFFFAOYSA-N 1 2 348.240 3.988 20 10 EHCDLO COc1cc(C)cc(C[N@@H+]2Cc3ccc(Br)cc3C2)c1O ZINC000764951918 1127556558 /nfs/dbraw/zinc/55/65/58/1127556558.db2.gz XDHXASCUULDKKR-UHFFFAOYSA-N 1 2 348.240 3.988 20 10 EHCDLO COc1cc(C)cc(C[N@H+]2Cc3ccc(Br)cc3C2)c1O ZINC000764951918 1127556559 /nfs/dbraw/zinc/55/65/59/1127556559.db2.gz XDHXASCUULDKKR-UHFFFAOYSA-N 1 2 348.240 3.988 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000733872228 1131086945 /nfs/dbraw/zinc/08/69/45/1131086945.db2.gz IBHUEXMICHQYNP-UHFFFAOYSA-N 1 2 330.391 3.994 20 10 EHCDLO CCOc1cccc(NC(=S)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000742993038 1131826116 /nfs/dbraw/zinc/82/61/16/1131826116.db2.gz KTSUZQYQBKYJMQ-UHFFFAOYSA-N 1 2 345.468 3.592 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1 ZINC001174770242 1132459925 /nfs/dbraw/zinc/45/99/25/1132459925.db2.gz CJYNWLIUYHKNDA-CJNGLKHVSA-N 1 2 330.394 3.684 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1 ZINC001174770242 1132459931 /nfs/dbraw/zinc/45/99/31/1132459931.db2.gz CJYNWLIUYHKNDA-CJNGLKHVSA-N 1 2 330.394 3.684 20 10 EHCDLO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000797090119 1133018325 /nfs/dbraw/zinc/01/83/25/1133018325.db2.gz ZDOMNIRMSAAACI-DCAQKATOSA-N 1 2 346.240 3.617 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC001177226909 1133043628 /nfs/dbraw/zinc/04/36/28/1133043628.db2.gz XBECDXBFVMWROO-UHFFFAOYSA-N 1 2 345.805 3.719 20 10 EHCDLO O=[N+]([O-])c1ccc(O)c(CNc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001177379336 1133058703 /nfs/dbraw/zinc/05/87/03/1133058703.db2.gz SKRMYOVVRCTIDW-UHFFFAOYSA-N 1 2 327.384 3.508 20 10 EHCDLO CC(C)(C)[C@H]([NH2+]Cc1ccccc1O)C(=O)OCc1ccccc1 ZINC000768527147 1133149815 /nfs/dbraw/zinc/14/98/15/1133149815.db2.gz CSXOILWENYJKNS-GOSISDBHSA-N 1 2 327.424 3.640 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000768753969 1133178015 /nfs/dbraw/zinc/17/80/15/1133178015.db2.gz MRHXPXVIIHYHTP-UHFFFAOYSA-N 1 2 325.408 3.587 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000768753969 1133178020 /nfs/dbraw/zinc/17/80/20/1133178020.db2.gz MRHXPXVIIHYHTP-UHFFFAOYSA-N 1 2 325.408 3.587 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000769146684 1133232492 /nfs/dbraw/zinc/23/24/92/1133232492.db2.gz UFGZHXLTNFSHFY-CQSZACIVSA-N 1 2 329.271 3.759 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000769331217 1133263795 /nfs/dbraw/zinc/26/37/95/1133263795.db2.gz DQNFYYAXWFKAQH-IBGZPJMESA-N 1 2 330.859 3.980 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000769331217 1133263799 /nfs/dbraw/zinc/26/37/99/1133263799.db2.gz DQNFYYAXWFKAQH-IBGZPJMESA-N 1 2 330.859 3.980 20 10 EHCDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)cc(F)c1O)n2C ZINC000769556826 1133314178 /nfs/dbraw/zinc/31/41/78/1133314178.db2.gz SUTUEJKQSHUDLP-UHFFFAOYSA-N 1 2 333.794 3.670 20 10 EHCDLO CCOc1ccc(C[N@@H+]2CCSC[C@H]2c2nccs2)c(O)c1 ZINC000770673739 1133457987 /nfs/dbraw/zinc/45/79/87/1133457987.db2.gz GUPSGMZSOXXRRW-AWEZNQCLSA-N 1 2 336.482 3.538 20 10 EHCDLO CCOc1ccc(C[N@H+]2CCSC[C@H]2c2nccs2)c(O)c1 ZINC000770673739 1133457990 /nfs/dbraw/zinc/45/79/90/1133457990.db2.gz GUPSGMZSOXXRRW-AWEZNQCLSA-N 1 2 336.482 3.538 20 10 EHCDLO C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cc(Cl)c(Cl)cc1O ZINC000774124588 1133617574 /nfs/dbraw/zinc/61/75/74/1133617574.db2.gz VNHCZIYGYVUHQA-NZVBXONLSA-N 1 2 329.271 3.976 20 10 EHCDLO CC[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001183661162 1133843243 /nfs/dbraw/zinc/84/32/43/1133843243.db2.gz DZZSUWISENXXRB-LJQANCHMSA-N 1 2 346.421 3.939 20 10 EHCDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001183661162 1133843245 /nfs/dbraw/zinc/84/32/45/1133843245.db2.gz DZZSUWISENXXRB-LJQANCHMSA-N 1 2 346.421 3.939 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000790986282 1134488599 /nfs/dbraw/zinc/48/85/99/1134488599.db2.gz MDNOWVSHCZIXPY-NSHDSACASA-N 1 2 329.705 3.686 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[NH+]1CCN(c2cccs2)CC1 ZINC000792170196 1134662585 /nfs/dbraw/zinc/66/25/85/1134662585.db2.gz PXWKJHOFHHBQML-UHFFFAOYSA-N 1 2 326.824 3.568 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC(C)(C)OCC2(C)C)c1O ZINC001191084947 1134799580 /nfs/dbraw/zinc/79/95/80/1134799580.db2.gz FKWBYUWADFYNIL-UHFFFAOYSA-N 1 2 325.836 3.638 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC(C)(C)OCC2(C)C)c1O ZINC001191084947 1134799585 /nfs/dbraw/zinc/79/95/85/1134799585.db2.gz FKWBYUWADFYNIL-UHFFFAOYSA-N 1 2 325.836 3.638 20 10 EHCDLO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000793607081 1134969140 /nfs/dbraw/zinc/96/91/40/1134969140.db2.gz AOPIHJHVUFAISG-CZUORRHYSA-N 1 2 347.842 3.556 20 10 EHCDLO Oc1c(F)cc(Cl)cc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000775644340 1135384638 /nfs/dbraw/zinc/38/46/38/1135384638.db2.gz IAAVBBPAMVFFJQ-UHFFFAOYSA-N 1 2 340.851 3.564 20 10 EHCDLO CC[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cccc(Cl)c1O ZINC000806139094 1135389674 /nfs/dbraw/zinc/38/96/74/1135389674.db2.gz ITNGEYLMNBBRAJ-HNNXBMFYSA-N 1 2 338.879 3.735 20 10 EHCDLO CC[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806136510 1135390408 /nfs/dbraw/zinc/39/04/08/1135390408.db2.gz DQDJJXDNLDRAMJ-CQSZACIVSA-N 1 2 342.867 3.953 20 10 EHCDLO CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(Cl)c1O ZINC000806148027 1135400642 /nfs/dbraw/zinc/40/06/42/1135400642.db2.gz BXDNQNIZYSODKB-BBRMVZONSA-N 1 2 339.863 3.815 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1O ZINC000806144350 1135400800 /nfs/dbraw/zinc/40/08/00/1135400800.db2.gz PXUCONXEMWVCRW-IAGOWNOFSA-N 1 2 344.842 3.892 20 10 EHCDLO CC[C@H]([NH2+][C@H](CO)c1ccccc1OC)c1cccc(Cl)c1O ZINC000806145377 1135401144 /nfs/dbraw/zinc/40/11/44/1135401144.db2.gz BADDUMYFIOPKTR-JKSUJKDBSA-N 1 2 335.831 3.829 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cccc(Cl)c1O ZINC000806149501 1135401832 /nfs/dbraw/zinc/40/18/32/1135401832.db2.gz UNXUWSNWZKIOOH-MJGOQNOKSA-N 1 2 331.843 3.920 20 10 EHCDLO CCN(C(=O)c1ccccc1NN=C1C=CC(=O)C=C1)C1C[NH+](C)C1 ZINC001195274557 1135403811 /nfs/dbraw/zinc/40/38/11/1135403811.db2.gz HWFJHFUOGOSJKV-QZQOTICOSA-N 1 2 338.411 3.584 20 10 EHCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000775706682 1135543889 /nfs/dbraw/zinc/54/38/89/1135543889.db2.gz CBXGBTCHNJVCMH-QGZVFWFLSA-N 1 2 344.842 3.673 20 10 EHCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000775706682 1135543892 /nfs/dbraw/zinc/54/38/92/1135543892.db2.gz CBXGBTCHNJVCMH-QGZVFWFLSA-N 1 2 344.842 3.673 20 10 EHCDLO OC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000809779753 1135889708 /nfs/dbraw/zinc/88/97/08/1135889708.db2.gz YPYFEFNSFFXUQB-LBPRGKRZSA-N 1 2 344.213 3.704 20 10 EHCDLO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1Cc1ccccc1 ZINC000809784484 1135890975 /nfs/dbraw/zinc/89/09/75/1135890975.db2.gz KQTXGQZYWNTROQ-FZKQIMNGSA-N 1 2 348.849 3.937 20 10 EHCDLO Oc1c(Cl)cccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000776000718 1135916107 /nfs/dbraw/zinc/91/61/07/1135916107.db2.gz YWSCLPGQABJCKT-UHFFFAOYSA-N 1 2 349.833 3.754 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518480 1136097581 /nfs/dbraw/zinc/09/75/81/1136097581.db2.gz LQBOLCROBGGWOA-GDBMZVCRSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518480 1136097585 /nfs/dbraw/zinc/09/75/85/1136097585.db2.gz LQBOLCROBGGWOA-GDBMZVCRSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000776252441 1136102278 /nfs/dbraw/zinc/10/22/78/1136102278.db2.gz UQNUIFFFHHDGMV-ZDUSSCGKSA-N 1 2 345.867 3.719 20 10 EHCDLO CO[C@@](C)(C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C1CC1 ZINC000812734880 1136239134 /nfs/dbraw/zinc/23/91/34/1136239134.db2.gz UFBCPUYBFDWVMV-VFZGTOFNSA-N 1 2 346.240 3.760 20 10 EHCDLO CC[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cccc(Cl)c1O ZINC000812736413 1136239939 /nfs/dbraw/zinc/23/99/39/1136239939.db2.gz FWVBDJRHZSKFHA-OAHLLOKOSA-N 1 2 333.863 3.899 20 10 EHCDLO CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cccc(Cl)c1O ZINC000850561639 1136286324 /nfs/dbraw/zinc/28/63/24/1136286324.db2.gz KKFXTOCQSGGNHL-YJBOKZPZSA-N 1 2 341.879 3.654 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816656401 1136745369 /nfs/dbraw/zinc/74/53/69/1136745369.db2.gz QMMYXHUUUSRYFD-INIZCTEOSA-N 1 2 325.811 3.576 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816656401 1136745371 /nfs/dbraw/zinc/74/53/71/1136745371.db2.gz QMMYXHUUUSRYFD-INIZCTEOSA-N 1 2 325.811 3.576 20 10 EHCDLO CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1[O-] ZINC000817942731 1136849080 /nfs/dbraw/zinc/84/90/80/1136849080.db2.gz QQMYXELVTCSGPW-ROUUACIJSA-N 1 2 347.890 3.852 20 10 EHCDLO CN(C)c1cc(F)c(C[NH2+]Cc2cc(F)cnc2Cl)cc1F ZINC000858169892 1136946200 /nfs/dbraw/zinc/94/62/00/1136946200.db2.gz GLFLSZHSATYHLZ-UHFFFAOYSA-N 1 2 329.753 3.508 20 10 EHCDLO Oc1cccc(Br)c1C[N@H+](Cc1ccccn1)C1CC1 ZINC000862369541 1137140958 /nfs/dbraw/zinc/14/09/58/1137140958.db2.gz WFGKPTCQJZZLRJ-UHFFFAOYSA-N 1 2 333.229 3.714 20 10 EHCDLO Oc1cccc(Br)c1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000862369541 1137140959 /nfs/dbraw/zinc/14/09/59/1137140959.db2.gz WFGKPTCQJZZLRJ-UHFFFAOYSA-N 1 2 333.229 3.714 20 10 EHCDLO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824554639 1137142558 /nfs/dbraw/zinc/14/25/58/1137142558.db2.gz JJCZOSTUNBEKDH-SNVBAGLBSA-N 1 2 329.721 3.632 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](C)NC(=O)OC(C)(C)C ZINC000824643659 1137146000 /nfs/dbraw/zinc/14/60/00/1137146000.db2.gz KNGMOUIWFNPPEC-ZJUUUORDSA-N 1 2 346.830 3.576 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1Cl ZINC000824820061 1137153889 /nfs/dbraw/zinc/15/38/89/1137153889.db2.gz ZBFJPGIISWNSQG-GOSISDBHSA-N 1 2 333.815 3.633 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1Cl ZINC000824820061 1137153891 /nfs/dbraw/zinc/15/38/91/1137153891.db2.gz ZBFJPGIISWNSQG-GOSISDBHSA-N 1 2 333.815 3.633 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000824949673 1137159033 /nfs/dbraw/zinc/15/90/33/1137159033.db2.gz NWBJYIXRVSDGKQ-ZDUSSCGKSA-N 1 2 346.862 3.729 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000824949673 1137159034 /nfs/dbraw/zinc/15/90/34/1137159034.db2.gz NWBJYIXRVSDGKQ-ZDUSSCGKSA-N 1 2 346.862 3.729 20 10 EHCDLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)n1-c1cccc(C)c1 ZINC000825010151 1137159933 /nfs/dbraw/zinc/15/99/33/1137159933.db2.gz SRRDWSPCFXVBTF-RTBURBONSA-N 1 2 348.450 3.546 20 10 EHCDLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(C)n1-c1cccc(C)c1 ZINC000825010151 1137159935 /nfs/dbraw/zinc/15/99/35/1137159935.db2.gz SRRDWSPCFXVBTF-RTBURBONSA-N 1 2 348.450 3.546 20 10 EHCDLO Oc1ccc(Br)cc1CNc1ccc(-n2cccc2)c[nH+]1 ZINC001171174275 1137282563 /nfs/dbraw/zinc/28/25/63/1137282563.db2.gz OWTWKRDSUZPKHI-UHFFFAOYSA-N 1 2 344.212 3.953 20 10 EHCDLO CN(C)c1ccc(C[N@H+](C)Cc2cccnc2Br)cc1 ZINC000876511306 1137654377 /nfs/dbraw/zinc/65/43/77/1137654377.db2.gz DMMPNYNPBWSLAK-UHFFFAOYSA-N 1 2 334.261 3.542 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2cccnc2Br)cc1 ZINC000876511306 1137654378 /nfs/dbraw/zinc/65/43/78/1137654378.db2.gz DMMPNYNPBWSLAK-UHFFFAOYSA-N 1 2 334.261 3.542 20 10 EHCDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876795607 1137661514 /nfs/dbraw/zinc/66/15/14/1137661514.db2.gz RYJASQQTMVSNEU-BSNNYGBQSA-N 1 2 339.407 3.601 20 10 EHCDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876795607 1137661515 /nfs/dbraw/zinc/66/15/15/1137661515.db2.gz RYJASQQTMVSNEU-BSNNYGBQSA-N 1 2 339.407 3.601 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000883117722 1137845367 /nfs/dbraw/zinc/84/53/67/1137845367.db2.gz GOJPMGZVRCJOAM-UHFFFAOYSA-N 1 2 342.130 3.726 20 10 EHCDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nc(C2CCCCC2)no1 ZINC000173861979 1139383550 /nfs/dbraw/zinc/38/35/50/1139383550.db2.gz LQRPXDIVPHCCSR-ZDUSSCGKSA-N 1 2 327.428 3.903 20 10 EHCDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1O ZINC000177214715 1139604891 /nfs/dbraw/zinc/60/48/91/1139604891.db2.gz XNOBRAKSJKVBQW-UHFFFAOYSA-N 1 2 349.814 3.594 20 10 EHCDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1O ZINC000177214715 1139604893 /nfs/dbraw/zinc/60/48/93/1139604893.db2.gz XNOBRAKSJKVBQW-UHFFFAOYSA-N 1 2 349.814 3.594 20 10 EHCDLO Oc1c(Cl)cccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000180629695 1139851856 /nfs/dbraw/zinc/85/18/56/1139851856.db2.gz QXSOIFKSHXFKJG-MRXNPFEDSA-N 1 2 339.863 3.596 20 10 EHCDLO COC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1ccc(F)c(F)c1 ZINC000187828596 1140273346 /nfs/dbraw/zinc/27/33/46/1140273346.db2.gz BONCFAJZRSWWHU-PSLIRLAXSA-N 1 2 343.320 3.987 20 10 EHCDLO CC(C)(C)c1cnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000069917580 203062805 /nfs/dbraw/zinc/06/28/05/203062805.db2.gz WFZXTJUPLFFYFG-MRXNPFEDSA-N 1 2 344.455 3.859 20 10 EHCDLO CC(C)(C)c1cnc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000069917580 203062810 /nfs/dbraw/zinc/06/28/10/203062810.db2.gz WFZXTJUPLFFYFG-MRXNPFEDSA-N 1 2 344.455 3.859 20 10 EHCDLO Cc1cccc(NC2=NC(=O)C(=Cc3cccc4[nH+]ccn43)S2)c1 ZINC000178942425 1022704763 /nfs/dbraw/zinc/70/47/63/1022704763.db2.gz IRQJBAVADJADMN-PTNGSMBKSA-N 1 2 334.404 3.725 20 10 EHCDLO COc1ccc(C[N@@H+]2CCc3sc(Cl)cc3C2)c(O)c1OC ZINC000895088514 1024202142 /nfs/dbraw/zinc/20/21/42/1024202142.db2.gz ZDPWNIIGOLBHNL-UHFFFAOYSA-N 1 2 339.844 3.683 20 10 EHCDLO COc1ccc(C[N@H+]2CCc3sc(Cl)cc3C2)c(O)c1OC ZINC000895088514 1024202152 /nfs/dbraw/zinc/20/21/52/1024202152.db2.gz ZDPWNIIGOLBHNL-UHFFFAOYSA-N 1 2 339.844 3.683 20 10 EHCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896225187 1025256788 /nfs/dbraw/zinc/25/67/88/1025256788.db2.gz UIMPIBCUMCEYME-GFCCVEGCSA-N 1 2 325.252 3.537 20 10 EHCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896225187 1025256798 /nfs/dbraw/zinc/25/67/98/1025256798.db2.gz UIMPIBCUMCEYME-GFCCVEGCSA-N 1 2 325.252 3.537 20 10 EHCDLO Oc1ccc2ccccc2c1C[N@@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000896934041 1026102816 /nfs/dbraw/zinc/10/28/16/1026102816.db2.gz FBIXQXGQJXUWDM-UHFFFAOYSA-N 1 2 347.340 3.777 20 10 EHCDLO Oc1ccc2ccccc2c1C[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000896934041 1026102829 /nfs/dbraw/zinc/10/28/29/1026102829.db2.gz FBIXQXGQJXUWDM-UHFFFAOYSA-N 1 2 347.340 3.777 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cccc(Cl)c1O ZINC000528007247 1031576011 /nfs/dbraw/zinc/57/60/11/1031576011.db2.gz YRZDEOMWJWCRBJ-IAGOWNOFSA-N 1 2 344.842 3.913 20 10 EHCDLO COc1cc2c(c(C[NH2+]Cc3cccc(Cl)c3O)c1)O[C@H](C)C2 ZINC000898219809 1033375177 /nfs/dbraw/zinc/37/51/77/1033375177.db2.gz MKTTYVXYAPQWST-LLVKDONJSA-N 1 2 333.815 3.667 20 10 EHCDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C[C@@H]1C ZINC000898218958 1033375701 /nfs/dbraw/zinc/37/57/01/1033375701.db2.gz UAZDXCCNCZUEHC-FPMFFAJLSA-N 1 2 325.836 3.503 20 10 EHCDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000761225805 1034803194 /nfs/dbraw/zinc/80/31/94/1034803194.db2.gz ISYDZDIZVVCMPX-UHFFFAOYSA-N 1 2 336.785 3.504 20 10 EHCDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000761225805 1034803200 /nfs/dbraw/zinc/80/32/00/1034803200.db2.gz ISYDZDIZVVCMPX-UHFFFAOYSA-N 1 2 336.785 3.504 20 10 EHCDLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nccn1C ZINC000378620084 1038777150 /nfs/dbraw/zinc/77/71/50/1038777150.db2.gz FSQIJXLWUCRDFD-LIRRHRJNSA-N 1 2 337.423 3.575 20 10 EHCDLO COc1ccc(O)c([C@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000325027305 1126822853 /nfs/dbraw/zinc/82/28/53/1126822853.db2.gz HZLXBPZWBFQWPG-AWEZNQCLSA-N 1 2 327.428 3.959 20 10 EHCDLO C[N@H+](Cc1nccn1C(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000073645442 1128773869 /nfs/dbraw/zinc/77/38/69/1128773869.db2.gz XUVMZQBFBVHAIM-UHFFFAOYSA-N 1 2 334.414 3.901 20 10 EHCDLO C[N@@H+](Cc1nccn1C(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000073645442 1128773873 /nfs/dbraw/zinc/77/38/73/1128773873.db2.gz XUVMZQBFBVHAIM-UHFFFAOYSA-N 1 2 334.414 3.901 20 10 EHCDLO COc1ccc(OC)c(CC[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001648935292 1120237503 /nfs/dbraw/zinc/23/75/03/1120237503.db2.gz DDTPYBJCRICAOW-UHFFFAOYSA-N 1 2 339.794 3.534 20 10 EHCDLO C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001177483371 1133068609 /nfs/dbraw/zinc/06/86/09/1133068609.db2.gz OZPQCQMSJRZJNE-LBPRGKRZSA-N 1 2 328.859 3.785 20 10 EHCDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)on1 ZINC000768877717 1133194858 /nfs/dbraw/zinc/19/48/58/1133194858.db2.gz KHGGGKXCEBJOQE-CYBMUJFWSA-N 1 2 337.217 3.788 20 10 EHCDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(Br)c2O)on1 ZINC000768877717 1133194862 /nfs/dbraw/zinc/19/48/62/1133194862.db2.gz KHGGGKXCEBJOQE-CYBMUJFWSA-N 1 2 337.217 3.788 20 10 EHCDLO CCOc1ccc(O)c(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000769328619 1133262660 /nfs/dbraw/zinc/26/26/60/1133262660.db2.gz RFQSYIXMCJQJPH-UHFFFAOYSA-N 1 2 337.423 3.716 20 10 EHCDLO CCOc1ccc(O)c(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000769328619 1133262665 /nfs/dbraw/zinc/26/26/65/1133262665.db2.gz RFQSYIXMCJQJPH-UHFFFAOYSA-N 1 2 337.423 3.716 20 10 EHCDLO CCOC(=O)[C@@](C)(C[NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000787436509 1134003777 /nfs/dbraw/zinc/00/37/77/1134003777.db2.gz CQOVODSQGXYXTE-IBGZPJMESA-N 1 2 347.842 3.656 20 10 EHCDLO CSC1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000788607913 1134150436 /nfs/dbraw/zinc/15/04/36/1134150436.db2.gz YNCNKLGMDMSSTG-MRVPVSSYSA-N 1 2 334.254 3.840 20 10 EHCDLO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc(C(F)(F)F)c1O ZINC000788611662 1134151796 /nfs/dbraw/zinc/15/17/96/1134151796.db2.gz NXQSWKVSOAGURA-SECBINFHSA-N 1 2 345.390 3.784 20 10 EHCDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000788742443 1134169067 /nfs/dbraw/zinc/16/90/67/1134169067.db2.gz WGHDSAIZQJEUSZ-HTQZYQBOSA-N 1 2 331.363 3.983 20 10 EHCDLO Oc1ccc(Br)cc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001203635541 1134186297 /nfs/dbraw/zinc/18/62/97/1134186297.db2.gz ABFNBGRAQYLILP-LBPRGKRZSA-N 1 2 338.167 3.724 20 10 EHCDLO Oc1ccc(Br)cc1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001203635541 1134186301 /nfs/dbraw/zinc/18/63/01/1134186301.db2.gz ABFNBGRAQYLILP-LBPRGKRZSA-N 1 2 338.167 3.724 20 10 EHCDLO COc1ccc([N@@H+](CCc2ccc(C(N)=O)cc2)CCC(C)C)cc1 ZINC001194073774 1135226028 /nfs/dbraw/zinc/22/60/28/1135226028.db2.gz JTMDFMXOWRCVRD-UHFFFAOYSA-N 1 2 340.467 3.889 20 10 EHCDLO COc1ccc([N@H+](CCc2ccc(C(N)=O)cc2)CCC(C)C)cc1 ZINC001194073774 1135226031 /nfs/dbraw/zinc/22/60/31/1135226031.db2.gz JTMDFMXOWRCVRD-UHFFFAOYSA-N 1 2 340.467 3.889 20 10 EHCDLO CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cccc(Cl)c1O ZINC000806138813 1135391014 /nfs/dbraw/zinc/39/10/14/1135391014.db2.gz CDDNRFXCGBZWGH-XEZPLFJOSA-N 1 2 338.879 3.733 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1cccc(Cl)c1O ZINC000806130267 1135397515 /nfs/dbraw/zinc/39/75/15/1135397515.db2.gz UJMFMJOZEFKBPF-SUMWQHHRSA-N 1 2 335.831 3.526 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000775737722 1135600256 /nfs/dbraw/zinc/60/02/56/1135600256.db2.gz RLSWZKGVUMLHJQ-KRWDZBQOSA-N 1 2 331.843 3.879 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000775737722 1135600258 /nfs/dbraw/zinc/60/02/58/1135600258.db2.gz RLSWZKGVUMLHJQ-KRWDZBQOSA-N 1 2 331.843 3.879 20 10 EHCDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cc(Cl)ccc1O ZINC000809687041 1135872123 /nfs/dbraw/zinc/87/21/23/1135872123.db2.gz BRCFOCISNIOAHW-UHFFFAOYSA-N 1 2 335.816 3.789 20 10 EHCDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cc(Cl)ccc1O ZINC000809687041 1135872125 /nfs/dbraw/zinc/87/21/25/1135872125.db2.gz BRCFOCISNIOAHW-UHFFFAOYSA-N 1 2 335.816 3.789 20 10 EHCDLO COc1ccc(O)c(C[NH2+]CC(F)(F)c2ccc(Cl)cc2)c1 ZINC000809710281 1135875952 /nfs/dbraw/zinc/87/59/52/1135875952.db2.gz OROBNIOZBAMHKS-UHFFFAOYSA-N 1 2 327.758 3.936 20 10 EHCDLO Cc1cc(Br)cc([C@H](C)N[C@H](C)C[N@@H+](C)C(C)C)c1O ZINC000810254197 1135948787 /nfs/dbraw/zinc/94/87/87/1135948787.db2.gz JXQJTADGNOMOKV-OLZOCXBDSA-N 1 2 343.309 3.842 20 10 EHCDLO Cc1cc(Br)cc([C@H](C)N[C@H](C)C[N@H+](C)C(C)C)c1O ZINC000810254197 1135948788 /nfs/dbraw/zinc/94/87/88/1135948788.db2.gz JXQJTADGNOMOKV-OLZOCXBDSA-N 1 2 343.309 3.842 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000776175332 1136021581 /nfs/dbraw/zinc/02/15/81/1136021581.db2.gz PJWPVIHVICWNNY-UHFFFAOYSA-N 1 2 335.806 3.980 20 10 EHCDLO CC(C)([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)Nc1ccccc1 ZINC000776174197 1136021854 /nfs/dbraw/zinc/02/18/54/1136021854.db2.gz KMAACXFHLKLCBH-UHFFFAOYSA-N 1 2 336.794 3.692 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000776251358 1136101651 /nfs/dbraw/zinc/10/16/51/1136101651.db2.gz CPCABTBVWOHPIN-UHFFFAOYSA-N 1 2 341.842 3.775 20 10 EHCDLO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2cscn2)c1 ZINC000850359733 1136240867 /nfs/dbraw/zinc/24/08/67/1136240867.db2.gz PJMLBMMMVQWWII-SECBINFHSA-N 1 2 327.247 3.770 20 10 EHCDLO CC[C@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1cccc(Cl)c1O ZINC000850484996 1136268226 /nfs/dbraw/zinc/26/82/26/1136268226.db2.gz WIUKLOFYLIYIAW-SFHVURJKSA-N 1 2 346.858 3.923 20 10 EHCDLO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2)cc1 ZINC000850489930 1136270076 /nfs/dbraw/zinc/27/00/76/1136270076.db2.gz YFZNNRIVESPVSJ-OCCSQVGLSA-N 1 2 348.393 3.609 20 10 EHCDLO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000850515572 1136275421 /nfs/dbraw/zinc/27/54/21/1136275421.db2.gz YXDLISRYBPPCMK-GUBZILKMSA-N 1 2 332.213 3.512 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cc(F)cc(F)c1O ZINC000813883796 1136372597 /nfs/dbraw/zinc/37/25/97/1136372597.db2.gz OKMHIPMBYDZESA-DGCLKSJQSA-N 1 2 336.357 3.739 20 10 EHCDLO COC1(CC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000815641976 1136625238 /nfs/dbraw/zinc/62/52/38/1136625238.db2.gz NOCSDVMQXJGANB-SNVBAGLBSA-N 1 2 346.240 3.904 20 10 EHCDLO CCCc1nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000114721162 1136829369 /nfs/dbraw/zinc/82/93/69/1136829369.db2.gz XUXYKWBKKMWDQX-QGZVFWFLSA-N 1 2 346.496 3.982 20 10 EHCDLO CCCc1nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000114721162 1136829372 /nfs/dbraw/zinc/82/93/72/1136829372.db2.gz XUXYKWBKKMWDQX-QGZVFWFLSA-N 1 2 346.496 3.982 20 10 EHCDLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccc(N2CCOCC2)c(F)c1 ZINC000817948506 1136850597 /nfs/dbraw/zinc/85/05/97/1136850597.db2.gz AOYBIKSJUIORKC-CQSZACIVSA-N 1 2 341.430 3.803 20 10 EHCDLO CN(C)c1cc(F)c(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1F ZINC000858150971 1136944329 /nfs/dbraw/zinc/94/43/29/1136944329.db2.gz ORYUQCYJYHRHOH-UHFFFAOYSA-N 1 2 334.414 3.632 20 10 EHCDLO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccncc1Br ZINC000859066264 1137001933 /nfs/dbraw/zinc/00/19/33/1137001933.db2.gz BAKVNAWBHOARIY-UHFFFAOYSA-N 1 2 348.288 3.932 20 10 EHCDLO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccncc1Br ZINC000859066264 1137001935 /nfs/dbraw/zinc/00/19/35/1137001935.db2.gz BAKVNAWBHOARIY-UHFFFAOYSA-N 1 2 348.288 3.932 20 10 EHCDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2O)no1 ZINC000824576003 1137143341 /nfs/dbraw/zinc/14/33/41/1137143341.db2.gz WXFQONASTDWSDE-CQSZACIVSA-N 1 2 337.217 3.788 20 10 EHCDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(Br)cc2O)no1 ZINC000824576003 1137143342 /nfs/dbraw/zinc/14/33/42/1137143342.db2.gz WXFQONASTDWSDE-CQSZACIVSA-N 1 2 337.217 3.788 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000824949670 1137159060 /nfs/dbraw/zinc/15/90/60/1137159060.db2.gz NWBJYIXRVSDGKQ-CYBMUJFWSA-N 1 2 346.862 3.729 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000824949670 1137159061 /nfs/dbraw/zinc/15/90/61/1137159061.db2.gz NWBJYIXRVSDGKQ-CYBMUJFWSA-N 1 2 346.862 3.729 20 10 EHCDLO C[C@H](O)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1F ZINC000846015543 1137326163 /nfs/dbraw/zinc/32/61/63/1137326163.db2.gz YGSHKNKPWCVSOX-FVMDXXJSSA-N 1 2 327.758 3.536 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1cc(F)cc(F)c1O ZINC000866422084 1137353598 /nfs/dbraw/zinc/35/35/98/1137353598.db2.gz IOYDLLLAYRCWJX-GFCCVEGCSA-N 1 2 349.377 3.741 20 10 EHCDLO CS[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715760677 1137478147 /nfs/dbraw/zinc/47/81/47/1137478147.db2.gz PMJGYMZBSFSNCY-MNOVXSKESA-N 1 2 334.254 3.668 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000715760647 1137478180 /nfs/dbraw/zinc/47/81/80/1137478180.db2.gz PELCNSZLGSGNPM-SECBINFHSA-N 1 2 334.254 3.527 20 10 EHCDLO CCCOc1ccc(C[NH2+]Cc2n[nH]cc2Br)cc1C ZINC000873055639 1137589078 /nfs/dbraw/zinc/58/90/78/1137589078.db2.gz LKPVCKCABWQWSX-UHFFFAOYSA-N 1 2 338.249 3.559 20 10 EHCDLO OC1CCN(c2ccc(C[N@@H+]3Cc4cccc(Cl)c4C3)cc2)CC1 ZINC000877529395 1137679871 /nfs/dbraw/zinc/67/98/71/1137679871.db2.gz BNWRWZWQNANWAB-UHFFFAOYSA-N 1 2 342.870 3.817 20 10 EHCDLO OC1CCN(c2ccc(C[N@H+]3Cc4cccc(Cl)c4C3)cc2)CC1 ZINC000877529395 1137679872 /nfs/dbraw/zinc/67/98/72/1137679872.db2.gz BNWRWZWQNANWAB-UHFFFAOYSA-N 1 2 342.870 3.817 20 10 EHCDLO Cc1ccc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)c(O)c1 ZINC000877573954 1137681824 /nfs/dbraw/zinc/68/18/24/1137681824.db2.gz YWQVPBICVGTHJU-UHFFFAOYSA-N 1 2 343.427 3.732 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000877662871 1137684722 /nfs/dbraw/zinc/68/47/22/1137684722.db2.gz YRSVGQHQJZYKKM-WBVHZDCISA-N 1 2 339.769 3.944 20 10 EHCDLO COCC1(CC[NH2+]Cc2cc(Br)cc(F)c2O)CCC1 ZINC000883130457 1137845760 /nfs/dbraw/zinc/84/57/60/1137845760.db2.gz GCQCDUVLQAGNSB-UHFFFAOYSA-N 1 2 346.240 3.590 20 10 EHCDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2Cc2cccc(C)c2O)o1 ZINC000179817394 1139785341 /nfs/dbraw/zinc/78/53/41/1139785341.db2.gz ICIHMVRWAXQTMM-SFHVURJKSA-N 1 2 335.407 3.692 20 10 EHCDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2Cc2cccc(C)c2O)o1 ZINC000179817394 1139785345 /nfs/dbraw/zinc/78/53/45/1139785345.db2.gz ICIHMVRWAXQTMM-SFHVURJKSA-N 1 2 335.407 3.692 20 10 EHCDLO CCc1cnc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2O)s1 ZINC000184700551 1140116521 /nfs/dbraw/zinc/11/65/21/1140116521.db2.gz UXSODYCLJYUYSH-UHFFFAOYSA-N 1 2 326.849 3.705 20 10 EHCDLO CCc1cnc(C[N@@H+](C)Cc2cc(Cl)cc(OC)c2O)s1 ZINC000184700551 1140116523 /nfs/dbraw/zinc/11/65/23/1140116523.db2.gz UXSODYCLJYUYSH-UHFFFAOYSA-N 1 2 326.849 3.705 20 10 EHCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(Cc2ccccc2)no1 ZINC000191600839 1140474130 /nfs/dbraw/zinc/47/41/30/1140474130.db2.gz MLUKUSGQEXFERC-HNNXBMFYSA-N 1 2 336.439 3.577 20 10 EHCDLO CCOP(=O)(CCC[NH2+]Cc1cccc(Cl)c1O)OCC ZINC000898218844 1033374795 /nfs/dbraw/zinc/37/47/95/1033374795.db2.gz QTPFKIZWJHLNHF-UHFFFAOYSA-N 1 2 335.768 3.791 20 10 EHCDLO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894450344 1022297978 /nfs/dbraw/zinc/29/79/78/1022297978.db2.gz YZLHQNCQJHKQQS-SNVBAGLBSA-N 1 2 339.208 3.882 20 10 EHCDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894450344 1022297983 /nfs/dbraw/zinc/29/79/83/1022297983.db2.gz YZLHQNCQJHKQQS-SNVBAGLBSA-N 1 2 339.208 3.882 20 10 EHCDLO Cc1ccc(C)n1-c1ccc([NH2+]CCc2cc(O)c(O)cc2O)cc1 ZINC001168005485 1024349919 /nfs/dbraw/zinc/34/99/19/1024349919.db2.gz IJEMYNMYJWWHFA-UHFFFAOYSA-N 1 2 338.407 3.866 20 10 EHCDLO CC[N@H+](Cc1cc(F)c(F)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001142527514 1033276201 /nfs/dbraw/zinc/27/62/01/1033276201.db2.gz XPSUBCKANYUCBO-QGZVFWFLSA-N 1 2 346.421 3.767 20 10 EHCDLO CC[N@@H+](Cc1cc(F)c(F)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001142527514 1033276219 /nfs/dbraw/zinc/27/62/19/1033276219.db2.gz XPSUBCKANYUCBO-QGZVFWFLSA-N 1 2 346.421 3.767 20 10 EHCDLO CCN(Cc1cc(F)c(F)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142527514 1033276237 /nfs/dbraw/zinc/27/62/37/1033276237.db2.gz XPSUBCKANYUCBO-QGZVFWFLSA-N 1 2 346.421 3.767 20 10 EHCDLO CCN(Cc1cc(F)c(F)cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142527514 1033276247 /nfs/dbraw/zinc/27/62/47/1033276247.db2.gz XPSUBCKANYUCBO-QGZVFWFLSA-N 1 2 346.421 3.767 20 10 EHCDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cccc(Br)c1O ZINC000783596745 1027569534 /nfs/dbraw/zinc/56/95/34/1027569534.db2.gz GLZIOLCMCHHULN-LBPRGKRZSA-N 1 2 348.240 3.938 20 10 EHCDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cccc(Br)c1O ZINC000783596745 1027569542 /nfs/dbraw/zinc/56/95/42/1027569542.db2.gz GLZIOLCMCHHULN-LBPRGKRZSA-N 1 2 348.240 3.938 20 10 EHCDLO Cc1ncccc1C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708190021 1028726989 /nfs/dbraw/zinc/72/69/89/1028726989.db2.gz HTVCFOHEFKZSQG-UHFFFAOYSA-N 1 2 341.636 3.801 20 10 EHCDLO CN1CCCc2cc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)ccc21 ZINC000126438131 1029726210 /nfs/dbraw/zinc/72/62/10/1029726210.db2.gz MTFOBWRNLBREHS-FQEVSTJZSA-N 1 2 332.451 3.671 20 10 EHCDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)[nH]1 ZINC000278365619 1030399756 /nfs/dbraw/zinc/39/97/56/1030399756.db2.gz BSQZZQXIVGXRND-HTQZYQBOSA-N 1 2 329.231 3.791 20 10 EHCDLO Cc1ncccc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000527986707 1031602208 /nfs/dbraw/zinc/60/22/08/1031602208.db2.gz LKILDQAYOPPNRI-SNVBAGLBSA-N 1 2 339.208 3.848 20 10 EHCDLO COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C2CC2)cn1 ZINC000529688079 1034458421 /nfs/dbraw/zinc/45/84/21/1034458421.db2.gz HQEJBAMQZRIBKX-INIZCTEOSA-N 1 2 336.794 3.829 20 10 EHCDLO Cc1cccc(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)n1 ZINC000894049788 1040010064 /nfs/dbraw/zinc/01/00/64/1040010064.db2.gz LNLIJOMZADLBCH-UHFFFAOYSA-N 1 2 339.208 3.629 20 10 EHCDLO Cc1cccc(C[N@H+](C)Cc2cc(Br)cc(F)c2O)n1 ZINC000894049788 1040010080 /nfs/dbraw/zinc/01/00/80/1040010080.db2.gz LNLIJOMZADLBCH-UHFFFAOYSA-N 1 2 339.208 3.629 20 10 EHCDLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C1=CC(=O)CS1 ZINC000907815955 1040186036 /nfs/dbraw/zinc/18/60/36/1040186036.db2.gz PDEAZCMSALHSLW-GFCCVEGCSA-N 1 2 345.468 3.512 20 10 EHCDLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C1=CC(=O)CS1 ZINC000907815955 1040186039 /nfs/dbraw/zinc/18/60/39/1040186039.db2.gz PDEAZCMSALHSLW-GFCCVEGCSA-N 1 2 345.468 3.512 20 10 EHCDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C12CCC2 ZINC000742373760 1131717212 /nfs/dbraw/zinc/71/72/12/1131717212.db2.gz ISTPQPWVBRPIAL-ZIAGYGMSSA-N 1 2 340.261 3.592 20 10 EHCDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c(O)cc1C ZINC000767488400 1133009511 /nfs/dbraw/zinc/00/95/11/1133009511.db2.gz GIWPJCOGUUUREG-IBGZPJMESA-N 1 2 347.842 3.936 20 10 EHCDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c(O)cc1C ZINC000767488400 1133009516 /nfs/dbraw/zinc/00/95/16/1133009516.db2.gz GIWPJCOGUUUREG-IBGZPJMESA-N 1 2 347.842 3.936 20 10 EHCDLO C[C@](O)(C1CC[NH+](Cc2cccc(Cl)c2O)CC1)C(F)(F)F ZINC000768533257 1133151567 /nfs/dbraw/zinc/15/15/67/1133151567.db2.gz PYGLTNGSGBAIFO-AWEZNQCLSA-N 1 2 337.769 3.571 20 10 EHCDLO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000769105498 1133226620 /nfs/dbraw/zinc/22/66/20/1133226620.db2.gz MAPZKBYQTQVZQF-RDJZCZTQSA-N 1 2 347.459 3.584 20 10 EHCDLO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000769105498 1133226624 /nfs/dbraw/zinc/22/66/24/1133226624.db2.gz MAPZKBYQTQVZQF-RDJZCZTQSA-N 1 2 347.459 3.584 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000769485280 1133288917 /nfs/dbraw/zinc/28/89/17/1133288917.db2.gz MMDCDTJBHMPSOU-UHFFFAOYSA-N 1 2 336.151 3.849 20 10 EHCDLO Oc1c(Br)cccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000769485280 1133288919 /nfs/dbraw/zinc/28/89/19/1133288919.db2.gz MMDCDTJBHMPSOU-UHFFFAOYSA-N 1 2 336.151 3.849 20 10 EHCDLO COc1nccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1F ZINC001179845118 1133289825 /nfs/dbraw/zinc/28/98/25/1133289825.db2.gz LNDURXHKNJKXMG-UHFFFAOYSA-N 1 2 343.446 3.852 20 10 EHCDLO COc1nccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1F ZINC001179845118 1133289830 /nfs/dbraw/zinc/28/98/30/1133289830.db2.gz LNDURXHKNJKXMG-UHFFFAOYSA-N 1 2 343.446 3.852 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001184217515 1133909451 /nfs/dbraw/zinc/90/94/51/1133909451.db2.gz FRSOMFVXRROVTL-LBPRGKRZSA-N 1 2 347.821 3.564 20 10 EHCDLO C[C@H](O)[C@@](C)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)Cc1ccccc1 ZINC000790725480 1134459303 /nfs/dbraw/zinc/45/93/03/1134459303.db2.gz AQTOPNKLVBIVJC-PJSUUKDQSA-N 1 2 349.421 3.951 20 10 EHCDLO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CC2 ZINC000792183027 1134664136 /nfs/dbraw/zinc/66/41/36/1134664136.db2.gz MIJYBXYQWDHUGS-CQSZACIVSA-N 1 2 337.826 3.609 20 10 EHCDLO Cc1nc(NCc2cc(Br)ccc2O)c2c([nH+]1)CCCC2 ZINC000804828735 1135205182 /nfs/dbraw/zinc/20/51/82/1135205182.db2.gz YEHRHASENYQIJK-UHFFFAOYSA-N 1 2 348.244 3.744 20 10 EHCDLO CC[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cccc(Cl)c1O ZINC000806132545 1135387951 /nfs/dbraw/zinc/38/79/51/1135387951.db2.gz XJZQEPIGGFIJRE-INIZCTEOSA-N 1 2 338.879 3.925 20 10 EHCDLO CC[C@H]([NH2+][C@H](CC(=O)NC)c1ccccc1)c1cccc(Cl)c1O ZINC000806164268 1135406003 /nfs/dbraw/zinc/40/60/03/1135406003.db2.gz PHKPOYRBUFGCMU-DLBZAZTESA-N 1 2 346.858 3.964 20 10 EHCDLO Cn1c[nH+]cc1NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197161184 1135655421 /nfs/dbraw/zinc/65/54/21/1135655421.db2.gz HDNPZWAVRGTSLB-VHEBQXMUSA-N 1 2 341.396 3.636 20 10 EHCDLO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000809724350 1135878824 /nfs/dbraw/zinc/87/88/24/1135878824.db2.gz IJXWVZINGFQUSD-IAQYHMDHSA-N 1 2 329.271 3.758 20 10 EHCDLO C[C@H]1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1Cc1ccccc1 ZINC000809784485 1135890979 /nfs/dbraw/zinc/89/09/79/1135890979.db2.gz KQTXGQZYWNTROQ-SCLBCKFNSA-N 1 2 348.849 3.937 20 10 EHCDLO COC(=O)C1CN(c2ccccc2Nc2ccc([NH2+]C(C)C)cc2)C1 ZINC001201499400 1136028748 /nfs/dbraw/zinc/02/87/48/1136028748.db2.gz LLXAWQDQUVTEJZ-UHFFFAOYSA-N 1 2 339.439 3.860 20 10 EHCDLO CC[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](O)c1c(F)cccc1F ZINC000776219149 1136070783 /nfs/dbraw/zinc/07/07/83/1136070783.db2.gz DFIRJPMSKBALNA-WMLDXEAASA-N 1 2 341.785 3.926 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](COC)C1CCOCC1)c1cccc(Cl)c1O ZINC000850492681 1136270912 /nfs/dbraw/zinc/27/09/12/1136270912.db2.gz DBMGFZZGNXDJAM-CVEARBPZSA-N 1 2 327.852 3.528 20 10 EHCDLO CC[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cccc(Cl)c1O ZINC000850501211 1136272649 /nfs/dbraw/zinc/27/26/49/1136272649.db2.gz MRNPMHZTFXFOHQ-CVEARBPZSA-N 1 2 344.842 3.674 20 10 EHCDLO C[C@H]([NH2+]CCc1ccoc1)c1cc(Br)cc(F)c1O ZINC000850531548 1136279924 /nfs/dbraw/zinc/27/99/24/1136279924.db2.gz LPICLEKJODUQKO-VIFPVBQESA-N 1 2 328.181 3.780 20 10 EHCDLO COc1cccc([C@H](C)[NH2+]CC(F)(F)c2ccc(F)cc2)c1O ZINC000850560906 1136286014 /nfs/dbraw/zinc/28/60/14/1136286014.db2.gz KPFKUPUNZYFCLM-NSHDSACASA-N 1 2 325.330 3.983 20 10 EHCDLO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)ccc1N(C)C ZINC000815033414 1136543253 /nfs/dbraw/zinc/54/32/53/1136543253.db2.gz FZFHFIKXPPCDNV-FQEVSTJZSA-N 1 2 346.421 3.913 20 10 EHCDLO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)ccc1N(C)C ZINC000815033414 1136543255 /nfs/dbraw/zinc/54/32/55/1136543255.db2.gz FZFHFIKXPPCDNV-FQEVSTJZSA-N 1 2 346.421 3.913 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000816533983 1136730843 /nfs/dbraw/zinc/73/08/43/1136730843.db2.gz RSQPHXICKYZYGL-UHFFFAOYSA-N 1 2 345.805 3.703 20 10 EHCDLO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2ccc3ccccc3c2O)no1 ZINC000816616233 1136741758 /nfs/dbraw/zinc/74/17/58/1136741758.db2.gz RWQXWCDDMUNGMO-CYBMUJFWSA-N 1 2 341.411 3.704 20 10 EHCDLO CC(C)n1cncc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000822438048 1137059684 /nfs/dbraw/zinc/05/96/84/1137059684.db2.gz BHGCVANBDRAXOO-UHFFFAOYSA-N 1 2 325.412 3.965 20 10 EHCDLO CC(C)n1cncc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000822438048 1137059685 /nfs/dbraw/zinc/05/96/85/1137059685.db2.gz BHGCVANBDRAXOO-UHFFFAOYSA-N 1 2 325.412 3.965 20 10 EHCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824643655 1137146105 /nfs/dbraw/zinc/14/61/05/1137146105.db2.gz KNGMOUIWFNPPEC-UWVGGRQHSA-N 1 2 346.830 3.576 20 10 EHCDLO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cccc(Br)c1O)C(C)C ZINC000824846407 1137155717 /nfs/dbraw/zinc/15/57/17/1137155717.db2.gz RLDUPGJONLSNSI-ZFWWWQNUSA-N 1 2 344.293 3.533 20 10 EHCDLO Cc1cccc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)c1O ZINC000825072762 1137164606 /nfs/dbraw/zinc/16/46/06/1137164606.db2.gz KNOXJJDYZDWTCO-UHFFFAOYSA-N 1 2 343.427 3.732 20 10 EHCDLO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(F)c(O)cc1F ZINC001144665986 1137324947 /nfs/dbraw/zinc/32/49/47/1137324947.db2.gz DPCQWVWSAWIMGY-UHFFFAOYSA-N 1 2 332.394 3.903 20 10 EHCDLO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(F)c(O)cc1F ZINC001144665986 1137324949 /nfs/dbraw/zinc/32/49/49/1137324949.db2.gz DPCQWVWSAWIMGY-UHFFFAOYSA-N 1 2 332.394 3.903 20 10 EHCDLO C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1F ZINC000846017818 1137326252 /nfs/dbraw/zinc/32/62/52/1137326252.db2.gz QLOXQFPDYJIISZ-VFZGTOFNSA-N 1 2 327.758 3.536 20 10 EHCDLO OC1CCN(c2ccc(C[N@H+](CC(F)F)CC3CCC3)cc2)CC1 ZINC000876802322 1137661700 /nfs/dbraw/zinc/66/17/00/1137661700.db2.gz CGPSUCKMFOSEEC-UHFFFAOYSA-N 1 2 338.442 3.515 20 10 EHCDLO OC1CCN(c2ccc(C[N@@H+](CC(F)F)CC3CCC3)cc2)CC1 ZINC000876802322 1137661701 /nfs/dbraw/zinc/66/17/01/1137661701.db2.gz CGPSUCKMFOSEEC-UHFFFAOYSA-N 1 2 338.442 3.515 20 10 EHCDLO C[C@@H](c1cccc(NCc2ccc(F)c(F)c2O)c1)[NH+]1CCOCC1 ZINC000876858293 1137663891 /nfs/dbraw/zinc/66/38/91/1137663891.db2.gz ASXOJYMCGKLZJD-ZDUSSCGKSA-N 1 2 348.393 3.676 20 10 EHCDLO OC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1cccc(C(F)(F)F)c1 ZINC000877664187 1137684949 /nfs/dbraw/zinc/68/49/49/1137684949.db2.gz MFLWAKGTOMCDJW-AWEZNQCLSA-N 1 2 345.748 3.888 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877714503 1137686686 /nfs/dbraw/zinc/68/66/86/1137686686.db2.gz YPZRVOXOTHCFND-OAHLLOKOSA-N 1 2 347.821 3.564 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877714503 1137686687 /nfs/dbraw/zinc/68/66/87/1137686687.db2.gz YPZRVOXOTHCFND-OAHLLOKOSA-N 1 2 347.821 3.564 20 10 EHCDLO CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1O)C(F)(F)F ZINC000883112320 1137845078 /nfs/dbraw/zinc/84/50/78/1137845078.db2.gz IWDQDJUMJJIZJV-UHFFFAOYSA-N 1 2 344.146 3.972 20 10 EHCDLO C[C@@]1(CC[NH2+]Cc2cc(Br)cc(F)c2O)CC1(F)F ZINC000883174486 1137847232 /nfs/dbraw/zinc/84/72/32/1137847232.db2.gz LGOIRSBXJSUTEK-GFCCVEGCSA-N 1 2 338.167 3.819 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)c1cccc(Cl)c1O ZINC000886766981 1138136071 /nfs/dbraw/zinc/13/60/71/1138136071.db2.gz WQOKUHDPDLVBPS-IHHFWDAISA-N 1 2 339.863 3.813 20 10 EHCDLO COC1CCN(c2ccc(C[N@H+](CC(F)F)C3CCC3)cc2)CC1 ZINC000887102614 1138211386 /nfs/dbraw/zinc/21/13/86/1138211386.db2.gz XSUWTVCJQUAVEN-UHFFFAOYSA-N 1 2 338.442 3.921 20 10 EHCDLO COC1CCN(c2ccc(C[N@@H+](CC(F)F)C3CCC3)cc2)CC1 ZINC000887102614 1138211387 /nfs/dbraw/zinc/21/13/87/1138211387.db2.gz XSUWTVCJQUAVEN-UHFFFAOYSA-N 1 2 338.442 3.921 20 10 EHCDLO Oc1c(Cl)cccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000180629673 1139851568 /nfs/dbraw/zinc/85/15/68/1139851568.db2.gz QXSOIFKSHXFKJG-INIZCTEOSA-N 1 2 339.863 3.596 20 10 EHCDLO O=C(CCC[NH2+]Cc1cccc(Cl)c1O)N1CCc2ccccc21 ZINC000182187303 1139956136 /nfs/dbraw/zinc/95/61/36/1139956136.db2.gz GONHQLJJULLCRB-UHFFFAOYSA-N 1 2 344.842 3.505 20 10 EHCDLO CCN(CC)c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000268223339 1140905745 /nfs/dbraw/zinc/90/57/45/1140905745.db2.gz RUWXXRIZCOYSBX-UHFFFAOYSA-N 1 2 332.517 3.972 20 10 EHCDLO C[N@H+](Cc1ccccc1O)Cc1nc(Cl)ccc1Br ZINC001232061995 1033027166 /nfs/dbraw/zinc/02/71/66/1033027166.db2.gz LZJSQGCAHNPPLS-UHFFFAOYSA-N 1 2 341.636 3.835 20 10 EHCDLO C[N@@H+](Cc1ccccc1O)Cc1nc(Cl)ccc1Br ZINC001232061995 1033027179 /nfs/dbraw/zinc/02/71/79/1033027179.db2.gz LZJSQGCAHNPPLS-UHFFFAOYSA-N 1 2 341.636 3.835 20 10 EHCDLO CC(C)(C)c1coc(C[NH2+]Cc2c(O)cccc2Br)n1 ZINC000897942955 1033254434 /nfs/dbraw/zinc/25/44/34/1033254434.db2.gz VKZQOERDTTZWHI-UHFFFAOYSA-N 1 2 339.233 3.730 20 10 EHCDLO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000897042565 1026276133 /nfs/dbraw/zinc/27/61/33/1026276133.db2.gz IGQUIBIUOJRSSV-SKDRFNHKSA-N 1 2 339.798 3.556 20 10 EHCDLO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000897042563 1026276299 /nfs/dbraw/zinc/27/62/99/1026276299.db2.gz IGQUIBIUOJRSSV-JOYOIKCWSA-N 1 2 339.798 3.556 20 10 EHCDLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccccc1O ZINC000272810382 1027127623 /nfs/dbraw/zinc/12/76/23/1027127623.db2.gz CZDROAMOMHNRSI-QLFBSQMISA-N 1 2 327.428 3.574 20 10 EHCDLO CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708147348 1028204372 /nfs/dbraw/zinc/20/43/72/1028204372.db2.gz YWQLOAUURGMGTJ-GFCCVEGCSA-N 1 2 348.668 3.809 20 10 EHCDLO CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708147348 1028204383 /nfs/dbraw/zinc/20/43/83/1028204383.db2.gz YWQLOAUURGMGTJ-GFCCVEGCSA-N 1 2 348.668 3.809 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000245558124 1028834624 /nfs/dbraw/zinc/83/46/24/1028834624.db2.gz BBIDVJNFSKPOQL-SJKOYZFVSA-N 1 2 347.846 3.528 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000245558124 1028834639 /nfs/dbraw/zinc/83/46/39/1028834639.db2.gz BBIDVJNFSKPOQL-SJKOYZFVSA-N 1 2 347.846 3.528 20 10 EHCDLO Oc1c(Cl)cccc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000271714968 1029135896 /nfs/dbraw/zinc/13/58/96/1029135896.db2.gz BZEKQNRUXMWGGB-SFHVURJKSA-N 1 2 331.843 3.991 20 10 EHCDLO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1cc(Br)cc(F)c1O ZINC000528004307 1031571165 /nfs/dbraw/zinc/57/11/65/1031571165.db2.gz DXJRWLCOFUAGKE-YFHXEIQVSA-N 1 2 346.240 3.756 20 10 EHCDLO CC1(C)OCc2cc(C[NH2+]Cc3cccc(Cl)c3O)ccc2O1 ZINC000898218430 1033373427 /nfs/dbraw/zinc/37/34/27/1033373427.db2.gz HDNRKPCTAHLLLV-UHFFFAOYSA-N 1 2 333.815 3.981 20 10 EHCDLO COc1ccc(C[NH2+]Cc2cccc(Cl)c2O)c(OC(F)F)c1 ZINC000898219568 1033374915 /nfs/dbraw/zinc/37/49/15/1033374915.db2.gz ZTMXJPJETOJWRZ-UHFFFAOYSA-N 1 2 343.757 3.945 20 10 EHCDLO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C[C@@H]1C ZINC000898218959 1033375068 /nfs/dbraw/zinc/37/50/68/1033375068.db2.gz UAZDXCCNCZUEHC-IACUBPJLSA-N 1 2 325.836 3.503 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccccc1O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000378036806 1037741575 /nfs/dbraw/zinc/74/15/75/1037741575.db2.gz MMWYWYLCNINTTO-LLVKDONJSA-N 1 2 329.787 3.946 20 10 EHCDLO CCSCc1cc[nH+]c(NCc2ccc(OC)c(OC)c2O)c1 ZINC000893243891 1038653626 /nfs/dbraw/zinc/65/36/26/1038653626.db2.gz JUVPPFNMEWFXMX-UHFFFAOYSA-N 1 2 334.441 3.670 20 10 EHCDLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccccc1O)c1nccn1C ZINC000378620082 1038775636 /nfs/dbraw/zinc/77/56/36/1038775636.db2.gz FSQIJXLWUCRDFD-KUHUBIRLSA-N 1 2 337.423 3.575 20 10 EHCDLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000765714291 1127733190 /nfs/dbraw/zinc/73/31/90/1127733190.db2.gz UKQCCERUAQMNDZ-CYBMUJFWSA-N 1 2 336.888 3.986 20 10 EHCDLO C[C@H](c1ccsc1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000765714291 1127733193 /nfs/dbraw/zinc/73/31/93/1127733193.db2.gz UKQCCERUAQMNDZ-CYBMUJFWSA-N 1 2 336.888 3.986 20 10 EHCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCS1 ZINC000922834960 1129682443 /nfs/dbraw/zinc/68/24/43/1129682443.db2.gz WRYHRSZIOPRGAI-KCJUWKMLSA-N 1 2 334.254 3.668 20 10 EHCDLO CN(C)c1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)cc1 ZINC000773432828 1132514727 /nfs/dbraw/zinc/51/47/27/1132514727.db2.gz XKRPUHMZGGLMML-HXUWFJFHSA-N 1 2 338.430 3.504 20 10 EHCDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc(Cl)ccc1O ZINC000768917899 1133202840 /nfs/dbraw/zinc/20/28/40/1133202840.db2.gz BNMHSMVYBKOZQM-UHFFFAOYSA-N 1 2 327.815 3.863 20 10 EHCDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc(Cl)ccc1O ZINC000768917899 1133202846 /nfs/dbraw/zinc/20/28/46/1133202846.db2.gz BNMHSMVYBKOZQM-UHFFFAOYSA-N 1 2 327.815 3.863 20 10 EHCDLO C[N@H+](CCOc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1O ZINC001180566771 1133393030 /nfs/dbraw/zinc/39/30/30/1133393030.db2.gz VQYMJVHSGIXKRQ-UHFFFAOYSA-N 1 2 327.758 3.835 20 10 EHCDLO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1O ZINC001180566771 1133393035 /nfs/dbraw/zinc/39/30/35/1133393035.db2.gz VQYMJVHSGIXKRQ-UHFFFAOYSA-N 1 2 327.758 3.835 20 10 EHCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000770398138 1133423419 /nfs/dbraw/zinc/42/34/19/1133423419.db2.gz DYWDBXUXEBSPQZ-UHFFFAOYSA-N 1 2 348.450 3.597 20 10 EHCDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774118133 1133614595 /nfs/dbraw/zinc/61/45/95/1133614595.db2.gz VOBHLXKZZKPNHM-RFAUZJTJSA-N 1 2 339.222 3.576 20 10 EHCDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)[nH]1 ZINC000788684819 1134157158 /nfs/dbraw/zinc/15/71/58/1134157158.db2.gz FNSDZCGLGZEOMW-IUCAKERBSA-N 1 2 328.338 3.503 20 10 EHCDLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C(F)(F)F)c1O ZINC000788671661 1134159780 /nfs/dbraw/zinc/15/97/80/1134159780.db2.gz YMANOSJMYKIDBI-RNCFNFMXSA-N 1 2 325.334 3.862 20 10 EHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000790930643 1134479755 /nfs/dbraw/zinc/47/97/55/1134479755.db2.gz GDFFNFBFGQURRZ-CQSZACIVSA-N 1 2 342.277 3.710 20 10 EHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000790930643 1134479758 /nfs/dbraw/zinc/47/97/58/1134479758.db2.gz GDFFNFBFGQURRZ-CQSZACIVSA-N 1 2 342.277 3.710 20 10 EHCDLO Cc1nc(C[NH2+]Cc2c(O)ccc(Cl)c2F)nc2ccccc12 ZINC000790954974 1134484862 /nfs/dbraw/zinc/48/48/62/1134484862.db2.gz IRASBRXVOHIDQK-UHFFFAOYSA-N 1 2 331.778 3.726 20 10 EHCDLO CC[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806136504 1135389914 /nfs/dbraw/zinc/38/99/14/1135389914.db2.gz DQDJJXDNLDRAMJ-AWEZNQCLSA-N 1 2 342.867 3.953 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000809728810 1135872440 /nfs/dbraw/zinc/87/24/40/1135872440.db2.gz IPEBJXMTRWZYSZ-HNNXBMFYSA-N 1 2 333.229 3.887 20 10 EHCDLO COC(=O)c1ccc(C(=O)OC)c(Nc2ccc([NH2+]C(C)C)cc2)c1 ZINC001201497808 1136028805 /nfs/dbraw/zinc/02/88/05/1136028805.db2.gz LZSXPOHALKBHBN-UHFFFAOYSA-N 1 2 342.395 3.824 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000776255804 1136110872 /nfs/dbraw/zinc/11/08/72/1136110872.db2.gz JAMLOYCGTNVTSN-BZPMIXESSA-N 1 2 333.881 3.654 20 10 EHCDLO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000850480984 1136267009 /nfs/dbraw/zinc/26/70/09/1136267009.db2.gz DBVRQEVSWLJZIO-WPRPVWTQSA-N 1 2 332.213 3.512 20 10 EHCDLO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000850515573 1136275479 /nfs/dbraw/zinc/27/54/79/1136275479.db2.gz YXDLISRYBPPCMK-OPRDCNLKSA-N 1 2 332.213 3.512 20 10 EHCDLO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O ZINC000850556343 1136284606 /nfs/dbraw/zinc/28/46/06/1136284606.db2.gz KOUJBTAXMCOYCA-DOMZBBRYSA-N 1 2 338.879 3.733 20 10 EHCDLO C[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)c(F)cc1O ZINC000813872366 1136370634 /nfs/dbraw/zinc/37/06/34/1136370634.db2.gz DHUQIEXYFKYVCQ-ZETCQYMHSA-N 1 2 338.167 3.990 20 10 EHCDLO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000815588409 1136615227 /nfs/dbraw/zinc/61/52/27/1136615227.db2.gz NMHDBORATKKCTD-UYAOXDASSA-N 1 2 347.462 3.936 20 10 EHCDLO C[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccc2ccccc2c1O ZINC000815657657 1136622868 /nfs/dbraw/zinc/62/28/68/1136622868.db2.gz FAYNMOQPWFKOOX-OAHLLOKOSA-N 1 2 344.418 3.977 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](c1ccccc1)N(C)C ZINC000816571137 1136738008 /nfs/dbraw/zinc/73/80/08/1136738008.db2.gz SXJCKBYGCLVFBU-KPZWWZAWSA-N 1 2 336.838 3.966 20 10 EHCDLO Cc1c(Cl)c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)nn1C ZINC000817405459 1136805055 /nfs/dbraw/zinc/80/50/55/1136805055.db2.gz JMVMAVCCERUCFM-UHFFFAOYSA-N 1 2 334.895 3.859 20 10 EHCDLO Cc1c(Cl)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)nn1C ZINC000817405459 1136805057 /nfs/dbraw/zinc/80/50/57/1136805057.db2.gz JMVMAVCCERUCFM-UHFFFAOYSA-N 1 2 334.895 3.859 20 10 EHCDLO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCO1 ZINC000817587157 1136825965 /nfs/dbraw/zinc/82/59/65/1136825965.db2.gz VJYDVLFUBNKKEB-YUSALJHKSA-N 1 2 346.240 3.902 20 10 EHCDLO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)CCO1 ZINC000817585869 1136826300 /nfs/dbraw/zinc/82/63/00/1136826300.db2.gz JPYZBZZNBFTMMH-GMTAPVOTSA-N 1 2 346.240 3.902 20 10 EHCDLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1-c1cc(C)cc(C)c1 ZINC000857984130 1136927246 /nfs/dbraw/zinc/92/72/46/1136927246.db2.gz YBDOTJDITXBGPI-LJQANCHMSA-N 1 2 348.450 3.782 20 10 EHCDLO COc1ccc(N2CC[C@@H](CNc3cc(C)[nH+]c(C4CC4)n3)C2)cc1 ZINC000819935619 1136968449 /nfs/dbraw/zinc/96/84/49/1136968449.db2.gz NZHUZHBSPKIPED-HNNXBMFYSA-N 1 2 338.455 3.609 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806149805 1137064627 /nfs/dbraw/zinc/06/46/27/1137064627.db2.gz IDRZMOOBKWPBBJ-RHSMWYFYSA-N 1 2 337.822 3.829 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137027241 1137175312 /nfs/dbraw/zinc/17/53/12/1137175312.db2.gz NNMFNFUXRLXCAS-UHFFFAOYSA-N 1 2 348.446 3.775 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137027241 1137175313 /nfs/dbraw/zinc/17/53/13/1137175313.db2.gz NNMFNFUXRLXCAS-UHFFFAOYSA-N 1 2 348.446 3.775 20 10 EHCDLO COc1cc(Br)cc(C[NH+]2Cc3ccccc3C2)c1O ZINC000119947286 1137219856 /nfs/dbraw/zinc/21/98/56/1137219856.db2.gz GYKMEURNTSYSOB-UHFFFAOYSA-N 1 2 334.213 3.679 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2cccc(O)c2C)C1 ZINC001144119009 1137240303 /nfs/dbraw/zinc/24/03/03/1137240303.db2.gz PDDRQLMBWILVRK-UHFFFAOYSA-N 1 2 336.435 3.759 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2cccc(O)c2C)C1 ZINC001144119009 1137240304 /nfs/dbraw/zinc/24/03/04/1137240304.db2.gz PDDRQLMBWILVRK-UHFFFAOYSA-N 1 2 336.435 3.759 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001144299471 1137268548 /nfs/dbraw/zinc/26/85/48/1137268548.db2.gz XTMGGKLKNQSRIY-UHFFFAOYSA-N 1 2 338.167 3.915 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC001144299471 1137268549 /nfs/dbraw/zinc/26/85/49/1137268549.db2.gz XTMGGKLKNQSRIY-UHFFFAOYSA-N 1 2 338.167 3.915 20 10 EHCDLO OC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(C(F)(F)F)cc1 ZINC000877125922 1137670801 /nfs/dbraw/zinc/67/08/01/1137670801.db2.gz WDSUDDPTUOOLGT-ZDUSSCGKSA-N 1 2 347.283 3.512 20 10 EHCDLO COC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(Cl)cc1 ZINC000877483485 1137677918 /nfs/dbraw/zinc/67/79/18/1137677918.db2.gz NZCUGMJYGAGXHC-AWEZNQCLSA-N 1 2 327.758 3.801 20 10 EHCDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H](C(F)(F)F)O1 ZINC000877825159 1137692423 /nfs/dbraw/zinc/69/24/23/1137692423.db2.gz XSVYZXQIVJGGGZ-UFBFGSQYSA-N 1 2 341.732 3.726 20 10 EHCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H](C(F)(F)F)O1 ZINC000877825159 1137692424 /nfs/dbraw/zinc/69/24/24/1137692424.db2.gz XSVYZXQIVJGGGZ-UFBFGSQYSA-N 1 2 341.732 3.726 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H](C(F)(F)F)O1 ZINC000877825156 1137692501 /nfs/dbraw/zinc/69/25/01/1137692501.db2.gz XSVYZXQIVJGGGZ-PELKAZGASA-N 1 2 341.732 3.726 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H](C(F)(F)F)O1 ZINC000877825156 1137692502 /nfs/dbraw/zinc/69/25/02/1137692502.db2.gz XSVYZXQIVJGGGZ-PELKAZGASA-N 1 2 341.732 3.726 20 10 EHCDLO COCC1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883146196 1137846300 /nfs/dbraw/zinc/84/63/00/1137846300.db2.gz DJEBUKBAVSGPSI-UHFFFAOYSA-N 1 2 346.240 3.589 20 10 EHCDLO COc1cccc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c1O ZINC000093814714 1138241548 /nfs/dbraw/zinc/24/15/48/1138241548.db2.gz RQCIXTKWYRRRKB-UHFFFAOYSA-N 1 2 332.347 3.508 20 10 EHCDLO COc1cccc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c1O ZINC000093814714 1138241549 /nfs/dbraw/zinc/24/15/49/1138241549.db2.gz RQCIXTKWYRRRKB-UHFFFAOYSA-N 1 2 332.347 3.508 20 10 EHCDLO Cc1nnc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1C ZINC000179647568 1139771287 /nfs/dbraw/zinc/77/12/87/1139771287.db2.gz NHXOJXODEVEZGB-HNNXBMFYSA-N 1 2 336.439 3.593 20 10 EHCDLO Cc1nnc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1C ZINC000179647568 1139771292 /nfs/dbraw/zinc/77/12/92/1139771292.db2.gz NHXOJXODEVEZGB-HNNXBMFYSA-N 1 2 336.439 3.593 20 10 EHCDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(F)c(F)c2O)o1 ZINC000187734692 1140269477 /nfs/dbraw/zinc/26/94/77/1140269477.db2.gz BQDXUAWLGKTVFU-IINYFYTJSA-N 1 2 325.355 3.864 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000377795598 1018379813 /nfs/dbraw/zinc/37/98/13/1018379813.db2.gz FYGQERHGIBQVMP-DTWKUNHWSA-N 1 2 326.227 3.630 20 10 EHCDLO C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000834901828 1021082161 /nfs/dbraw/zinc/08/21/61/1021082161.db2.gz DCIRSSRBRJZKMS-WDEREUQCSA-N 1 2 346.240 3.761 20 10 EHCDLO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@H](O)C(C)C ZINC000840884111 1027440142 /nfs/dbraw/zinc/44/01/42/1027440142.db2.gz ZIKMWCHBVWLQDE-BIGNPOOSSA-N 1 2 348.256 3.740 20 10 EHCDLO CCOc1cc(C[NH2+]Cc2cccc(Cl)c2O)c(F)cc1OC ZINC000898215820 1033372020 /nfs/dbraw/zinc/37/20/20/1033372020.db2.gz RMKIZXBTPWNOFA-UHFFFAOYSA-N 1 2 339.794 3.882 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000898216028 1033372904 /nfs/dbraw/zinc/37/29/04/1033372904.db2.gz UCIPKGBPDLKXIC-MRXNPFEDSA-N 1 2 333.815 3.503 20 10 EHCDLO COC1([C@H](C)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000840885220 1036886364 /nfs/dbraw/zinc/88/63/64/1036886364.db2.gz VHHGDEPXQLFNRM-ZJUUUORDSA-N 1 2 346.240 3.902 20 10 EHCDLO Oc1cc2c(cc1C[N@H+](Cc1c(F)cccc1F)C1CC1)OCO2 ZINC000191624015 1040660638 /nfs/dbraw/zinc/66/06/38/1040660638.db2.gz XIHKMUTYHVGQRZ-UHFFFAOYSA-N 1 2 333.334 3.564 20 10 EHCDLO Oc1cc2c(cc1C[N@@H+](Cc1c(F)cccc1F)C1CC1)OCO2 ZINC000191624015 1040660648 /nfs/dbraw/zinc/66/06/48/1040660648.db2.gz XIHKMUTYHVGQRZ-UHFFFAOYSA-N 1 2 333.334 3.564 20 10 EHCDLO CNc1ccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)c[nH+]1 ZINC001203459215 1127945714 /nfs/dbraw/zinc/94/57/14/1127945714.db2.gz GPUYYQSLOPDFQC-UHFFFAOYSA-N 1 2 334.379 3.668 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC001648810954 1120045655 /nfs/dbraw/zinc/04/56/55/1120045655.db2.gz AGQZCXMHXKZBLC-UHFFFAOYSA-N 1 2 349.837 3.860 20 10 EHCDLO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCS1 ZINC000922834959 1129682141 /nfs/dbraw/zinc/68/21/41/1129682141.db2.gz WRYHRSZIOPRGAI-GZMMTYOYSA-N 1 2 334.254 3.668 20 10 EHCDLO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000739875206 1131512192 /nfs/dbraw/zinc/51/21/92/1131512192.db2.gz IWRQSAJEOBEOBJ-CQSZACIVSA-N 1 2 331.378 3.761 20 10 EHCDLO Cc1cc(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000739875206 1131512196 /nfs/dbraw/zinc/51/21/96/1131512196.db2.gz IWRQSAJEOBEOBJ-CQSZACIVSA-N 1 2 331.378 3.761 20 10 EHCDLO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C12CCC2 ZINC000742373755 1131716921 /nfs/dbraw/zinc/71/69/21/1131716921.db2.gz ISTPQPWVBRPIAL-KBPBESRZSA-N 1 2 340.261 3.592 20 10 EHCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768351073 1133128114 /nfs/dbraw/zinc/12/81/14/1133128114.db2.gz GCJJUNXAIKBWPJ-UHFFFAOYSA-N 1 2 343.427 3.777 20 10 EHCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768351073 1133128115 /nfs/dbraw/zinc/12/81/15/1133128115.db2.gz GCJJUNXAIKBWPJ-UHFFFAOYSA-N 1 2 343.427 3.777 20 10 EHCDLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CCO2 ZINC000768533895 1133151198 /nfs/dbraw/zinc/15/11/98/1133151198.db2.gz WDVMGXZEVCIYSX-HNNXBMFYSA-N 1 2 337.778 3.807 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1 ZINC001179087622 1133227331 /nfs/dbraw/zinc/22/73/31/1133227331.db2.gz DFEGMUCNHFPSIM-UHFFFAOYSA-N 1 2 336.439 3.871 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1 ZINC001179087622 1133227335 /nfs/dbraw/zinc/22/73/35/1133227335.db2.gz DFEGMUCNHFPSIM-UHFFFAOYSA-N 1 2 336.439 3.871 20 10 EHCDLO CCc1ccc([C@H]2C[N@H+](Cc3cc(F)cc(F)c3O)CCO2)cc1 ZINC001180885387 1133419615 /nfs/dbraw/zinc/41/96/15/1133419615.db2.gz PQINNWYVBQHZEE-GOSISDBHSA-N 1 2 333.378 3.806 20 10 EHCDLO CCc1ccc([C@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)CCO2)cc1 ZINC001180885387 1133419618 /nfs/dbraw/zinc/41/96/18/1133419618.db2.gz PQINNWYVBQHZEE-GOSISDBHSA-N 1 2 333.378 3.806 20 10 EHCDLO CC(C)c1ccc(C[NH+]2CCN(Cc3cccc(F)c3O)CC2)cc1 ZINC001181944469 1133554129 /nfs/dbraw/zinc/55/41/29/1133554129.db2.gz DXWMQNIJBIPCBM-UHFFFAOYSA-N 1 2 342.458 3.973 20 10 EHCDLO CC(C)c1ccc(CN2CC[NH+](Cc3cccc(F)c3O)CC2)cc1 ZINC001181944469 1133554134 /nfs/dbraw/zinc/55/41/34/1133554134.db2.gz DXWMQNIJBIPCBM-UHFFFAOYSA-N 1 2 342.458 3.973 20 10 EHCDLO COc1c(O)c(C[N@@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000774880044 1134096937 /nfs/dbraw/zinc/09/69/37/1134096937.db2.gz DXURGCUAYKRZJP-UHFFFAOYSA-N 1 2 348.786 3.521 20 10 EHCDLO COc1c(O)c(C[N@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000774880044 1134096941 /nfs/dbraw/zinc/09/69/41/1134096941.db2.gz DXURGCUAYKRZJP-UHFFFAOYSA-N 1 2 348.786 3.521 20 10 EHCDLO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)CC2 ZINC000790697909 1134454409 /nfs/dbraw/zinc/45/44/09/1134454409.db2.gz OJIHBKFKVKVJAM-FZMZJTMJSA-N 1 2 335.398 3.656 20 10 EHCDLO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccc(N2CCOCC2)cc1 ZINC000775258419 1134593781 /nfs/dbraw/zinc/59/37/81/1134593781.db2.gz ABFRIQULZDGZMC-HNNXBMFYSA-N 1 2 343.471 3.660 20 10 EHCDLO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151982594 1134959596 /nfs/dbraw/zinc/95/95/96/1134959596.db2.gz BARROASFPOANSF-LJQANCHMSA-N 1 2 349.434 3.939 20 10 EHCDLO CC[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cccc(Cl)c1O ZINC000806158794 1135404139 /nfs/dbraw/zinc/40/41/39/1135404139.db2.gz RNWFNTRSRXUWRX-KRWDZBQOSA-N 1 2 344.842 3.572 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000809770267 1135880525 /nfs/dbraw/zinc/88/05/25/1135880525.db2.gz UZDMPYFMUPXLMA-AWEZNQCLSA-N 1 2 345.748 3.888 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cscn1 ZINC000850359893 1136240621 /nfs/dbraw/zinc/24/06/21/1136240621.db2.gz VOCYIJIMHYGLFS-CYBMUJFWSA-N 1 2 346.456 3.892 20 10 EHCDLO C[C@@H]([NH2+]CCc1ccoc1)c1cc(Br)c(F)cc1O ZINC000850531025 1136279817 /nfs/dbraw/zinc/27/98/17/1136279817.db2.gz GKHKOCGYINWEKN-SECBINFHSA-N 1 2 328.181 3.780 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000815151923 1136557271 /nfs/dbraw/zinc/55/72/71/1136557271.db2.gz LKJASEIOMAOUTQ-UHFFFAOYSA-N 1 2 346.146 3.862 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000816496001 1136725204 /nfs/dbraw/zinc/72/52/04/1136725204.db2.gz RWIQXDQLZNZSQI-AWEZNQCLSA-N 1 2 339.794 3.959 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000816496001 1136725205 /nfs/dbraw/zinc/72/52/05/1136725205.db2.gz RWIQXDQLZNZSQI-AWEZNQCLSA-N 1 2 339.794 3.959 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCOc1ccccc1F ZINC000816530349 1136730292 /nfs/dbraw/zinc/73/02/92/1136730292.db2.gz FEVJQFVCVRCPOC-UHFFFAOYSA-N 1 2 327.758 3.883 20 10 EHCDLO Cc1cn2cc(NC(=O)c3cc4cc(O)c(O)cc4s3)ccc2[nH+]1 ZINC001136498686 1137038215 /nfs/dbraw/zinc/03/82/15/1137038215.db2.gz WMLSSUMCWDIJLD-UHFFFAOYSA-N 1 2 339.376 3.521 20 10 EHCDLO CCCn1nccc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000824474922 1137139139 /nfs/dbraw/zinc/13/91/39/1137139139.db2.gz WICHPLNEBUXWNE-UHFFFAOYSA-N 1 2 325.412 3.794 20 10 EHCDLO CCCn1nccc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000824474922 1137139141 /nfs/dbraw/zinc/13/91/41/1137139141.db2.gz WICHPLNEBUXWNE-UHFFFAOYSA-N 1 2 325.412 3.794 20 10 EHCDLO Oc1cc(Br)ccc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000824548002 1137144118 /nfs/dbraw/zinc/14/41/18/1137144118.db2.gz HHXWJOVEANYNHX-KRWDZBQOSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1cc(Br)ccc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000824548002 1137144120 /nfs/dbraw/zinc/14/41/20/1137144120.db2.gz HHXWJOVEANYNHX-KRWDZBQOSA-N 1 2 348.240 3.728 20 10 EHCDLO Cc1ccc(O)c(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)c1 ZINC000825073112 1137164567 /nfs/dbraw/zinc/16/45/67/1137164567.db2.gz RKTLXBVABHCKBQ-UHFFFAOYSA-N 1 2 343.427 3.732 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000825196656 1137169913 /nfs/dbraw/zinc/16/99/13/1137169913.db2.gz LGFGGUNTGRAZKS-UHFFFAOYSA-N 1 2 331.843 3.927 20 10 EHCDLO C[C@@H]([NH2+]Cc1cccnc1F)c1cc(Br)c(F)cc1O ZINC000794838384 1137284733 /nfs/dbraw/zinc/28/47/33/1137284733.db2.gz YNJRHYWUPFMGMW-MRVPVSSYSA-N 1 2 343.171 3.679 20 10 EHCDLO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000866443465 1137355160 /nfs/dbraw/zinc/35/51/60/1137355160.db2.gz NDGVJEBTWFSABU-VXFNFUGZSA-N 1 2 332.213 3.510 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877673766 1137685381 /nfs/dbraw/zinc/68/53/81/1137685381.db2.gz RECFUFAJWAVDNX-YOEHRIQHSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877673766 1137685382 /nfs/dbraw/zinc/68/53/82/1137685382.db2.gz RECFUFAJWAVDNX-YOEHRIQHSA-N 1 2 335.806 3.883 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101865436 1137871884 /nfs/dbraw/zinc/87/18/84/1137871884.db2.gz SATDQMLFZLTIPG-UHFFFAOYSA-N 1 2 348.450 3.768 20 10 EHCDLO CCc1noc([C@@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000133560740 1138644966 /nfs/dbraw/zinc/64/49/66/1138644966.db2.gz UOPYJIWJULCFES-OAHLLOKOSA-N 1 2 328.460 3.815 20 10 EHCDLO CCc1noc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000133560740 1138644969 /nfs/dbraw/zinc/64/49/69/1138644969.db2.gz UOPYJIWJULCFES-OAHLLOKOSA-N 1 2 328.460 3.815 20 10 EHCDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000180678322 1139855435 /nfs/dbraw/zinc/85/54/35/1139855435.db2.gz QIHDNHWLPGHADR-VERVWZFWSA-N 1 2 337.872 3.976 20 10 EHCDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180678322 1139855446 /nfs/dbraw/zinc/85/54/46/1139855446.db2.gz QIHDNHWLPGHADR-VERVWZFWSA-N 1 2 337.872 3.976 20 10 EHCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000185766957 1140168783 /nfs/dbraw/zinc/16/87/83/1140168783.db2.gz VXDMSGVAUKXDHA-CHWSQXEVSA-N 1 2 339.395 3.863 20 10 EHCDLO Cn1cc([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc2)cn1 ZINC000377259431 1017543913 /nfs/dbraw/zinc/54/39/13/1017543913.db2.gz WICRWUPAVACILH-GOSISDBHSA-N 1 2 345.805 3.797 20 10 EHCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)[C@@H]1CCCCO1 ZINC000758499675 1019335550 /nfs/dbraw/zinc/33/55/50/1019335550.db2.gz TVEFWBOJDBBTKH-AWEZNQCLSA-N 1 2 342.277 3.840 20 10 EHCDLO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(Br)c1O ZINC000105446993 1024941721 /nfs/dbraw/zinc/94/17/21/1024941721.db2.gz QBSFOWRYDREFAV-NSHDSACASA-N 1 2 336.229 3.581 20 10 EHCDLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccccc1O ZINC000272810390 1027126696 /nfs/dbraw/zinc/12/66/96/1027126696.db2.gz CZDROAMOMHNRSI-RBSFLKMASA-N 1 2 327.428 3.574 20 10 EHCDLO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Br)c(F)cc1O ZINC000527932450 1031496484 /nfs/dbraw/zinc/49/64/84/1031496484.db2.gz TVPFAZXDZODSKR-MNOVXSKESA-N 1 2 346.240 3.761 20 10 EHCDLO COc1ccc(N(C)Cc2cc(-n3cc[nH+]c3)cs2)cc1OC ZINC000761222805 1034765346 /nfs/dbraw/zinc/76/53/46/1034765346.db2.gz WKXVOBCNFROLOL-UHFFFAOYSA-N 1 2 329.425 3.587 20 10 EHCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)C1CCOCC1 ZINC000897450851 1037749847 /nfs/dbraw/zinc/74/98/47/1037749847.db2.gz INLSAXKGYAKCCD-UHFFFAOYSA-N 1 2 342.277 3.697 20 10 EHCDLO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)Cc1nccc(N)n1 ZINC000179645589 1037875743 /nfs/dbraw/zinc/87/57/43/1037875743.db2.gz IXKFUUZQKUVRNF-HNNXBMFYSA-N 1 2 334.423 3.528 20 10 EHCDLO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)Cc1nccc(N)n1 ZINC000179645589 1037875751 /nfs/dbraw/zinc/87/57/51/1037875751.db2.gz IXKFUUZQKUVRNF-HNNXBMFYSA-N 1 2 334.423 3.528 20 10 EHCDLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000765718891 1127737960 /nfs/dbraw/zinc/73/79/60/1127737960.db2.gz LQPAWCRLPMJVIB-ZDUSSCGKSA-N 1 2 336.888 3.986 20 10 EHCDLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000765718891 1127737962 /nfs/dbraw/zinc/73/79/62/1127737962.db2.gz LQPAWCRLPMJVIB-ZDUSSCGKSA-N 1 2 336.888 3.986 20 10 EHCDLO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cc(F)cc(F)c1O ZINC000765820468 1128469515 /nfs/dbraw/zinc/46/95/15/1128469515.db2.gz XZHXFMPTMJNEEB-BMLIUANNSA-N 1 2 341.785 3.882 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000715737561 1128980388 /nfs/dbraw/zinc/98/03/88/1128980388.db2.gz LAJJQSHUGVSALP-QMMMGPOBSA-N 1 2 342.130 3.678 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000715737561 1128980390 /nfs/dbraw/zinc/98/03/90/1128980390.db2.gz LAJJQSHUGVSALP-QMMMGPOBSA-N 1 2 342.130 3.678 20 10 EHCDLO CN(C)c1ccc(NCc2cc(Cl)c3cccnc3c2O)[nH+]c1 ZINC001168524029 1122869147 /nfs/dbraw/zinc/86/91/47/1122869147.db2.gz VBOMLWXBONLHQX-UHFFFAOYSA-N 1 2 328.803 3.667 20 10 EHCDLO CCOCc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)ccc1OC ZINC000922524122 1129561999 /nfs/dbraw/zinc/56/19/99/1129561999.db2.gz AZXOMEJICINJIW-YLJYHZDGSA-N 1 2 345.414 3.793 20 10 EHCDLO COC(=O)[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(C)(C)C ZINC000768524723 1133149602 /nfs/dbraw/zinc/14/96/02/1133149602.db2.gz PPJMSJXUWOIQLV-GOSISDBHSA-N 1 2 327.424 3.737 20 10 EHCDLO CCCN(CCC)c1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1 ZINC000769467809 1133296062 /nfs/dbraw/zinc/29/60/62/1133296062.db2.gz ZDFLTWKINJPUMQ-QZMQVMSPSA-N 1 2 336.545 3.654 20 10 EHCDLO CCCN(CCC)c1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1 ZINC000769467809 1133296065 /nfs/dbraw/zinc/29/60/65/1133296065.db2.gz ZDFLTWKINJPUMQ-QZMQVMSPSA-N 1 2 336.545 3.654 20 10 EHCDLO O=C1/C(=C/c2cccc3[nH+]ccn32)SC(=S)N1c1ccccc1 ZINC000769609283 1133321606 /nfs/dbraw/zinc/32/16/06/1133321606.db2.gz ZBEOWCUBIGGKFD-KAMYIIQDSA-N 1 2 337.429 3.740 20 10 EHCDLO CN(C)c1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1 ZINC000771792061 1133595858 /nfs/dbraw/zinc/59/58/58/1133595858.db2.gz VJOQMFQPOJPPAJ-UHFFFAOYSA-N 1 2 348.450 3.566 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1 ZINC000771792061 1133595865 /nfs/dbraw/zinc/59/58/65/1133595865.db2.gz VJOQMFQPOJPPAJ-UHFFFAOYSA-N 1 2 348.450 3.566 20 10 EHCDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(Cl)c1O ZINC001182450834 1133671176 /nfs/dbraw/zinc/67/11/76/1133671176.db2.gz ADCKOCGEYBVQFV-JSGCOSHPSA-N 1 2 339.863 3.988 20 10 EHCDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(Cl)c1O ZINC001182450834 1133671178 /nfs/dbraw/zinc/67/11/78/1133671178.db2.gz ADCKOCGEYBVQFV-JSGCOSHPSA-N 1 2 339.863 3.988 20 10 EHCDLO COc1c(O)c(C[N@H+](C)[C@H](C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000774837739 1134046822 /nfs/dbraw/zinc/04/68/22/1134046822.db2.gz RDKJGFZKAHXMAF-LLVKDONJSA-N 1 2 334.347 3.641 20 10 EHCDLO COc1c(O)c(C[N@@H+](C)[C@H](C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000774837739 1134046824 /nfs/dbraw/zinc/04/68/24/1134046824.db2.gz RDKJGFZKAHXMAF-LLVKDONJSA-N 1 2 334.347 3.641 20 10 EHCDLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C(F)(F)F)c1O ZINC000788671668 1134159647 /nfs/dbraw/zinc/15/96/47/1134159647.db2.gz YMANOSJMYKIDBI-ZANVPECISA-N 1 2 325.334 3.862 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000775146281 1134388908 /nfs/dbraw/zinc/38/89/08/1134388908.db2.gz OSDPKOXGYINVHD-UHFFFAOYSA-N 1 2 340.261 3.736 20 10 EHCDLO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(Br)cc(F)c1O ZINC000790498813 1134427049 /nfs/dbraw/zinc/42/70/49/1134427049.db2.gz SUJOBSOTCRXZIN-BDAKNGLRSA-N 1 2 334.254 3.698 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000792167572 1134661345 /nfs/dbraw/zinc/66/13/45/1134661345.db2.gz WJPGSTZNVVVWMY-CYBMUJFWSA-N 1 2 339.794 3.959 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000792167572 1134661349 /nfs/dbraw/zinc/66/13/49/1134661349.db2.gz WJPGSTZNVVVWMY-CYBMUJFWSA-N 1 2 339.794 3.959 20 10 EHCDLO C[C@H]1C[C@@H]([NH2+]CCc2ccc3cn[nH]c3c2)c2c1c(F)ccc2O ZINC000793576013 1134961747 /nfs/dbraw/zinc/96/17/47/1134961747.db2.gz XBYKZFVZGYMSKO-MEDUHNTESA-N 1 2 325.387 3.788 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCSC[C@H]2C2CC2)c1O ZINC001194519937 1135279843 /nfs/dbraw/zinc/27/98/43/1135279843.db2.gz WJSRFPBZCYMBRA-HNNXBMFYSA-N 1 2 325.861 3.576 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCSC[C@H]2C2CC2)c1O ZINC001194519937 1135279849 /nfs/dbraw/zinc/27/98/49/1135279849.db2.gz WJSRFPBZCYMBRA-HNNXBMFYSA-N 1 2 325.861 3.576 20 10 EHCDLO CC[C@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1cccc(Cl)c1O ZINC000806133370 1135389085 /nfs/dbraw/zinc/38/90/85/1135389085.db2.gz LXVJCNJQQZSOFP-KRWDZBQOSA-N 1 2 346.858 3.825 20 10 EHCDLO CC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1O ZINC000806129456 1135396119 /nfs/dbraw/zinc/39/61/19/1135396119.db2.gz GBVACGSKOYKOCZ-JKIFEVAISA-N 1 2 340.895 3.586 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc(Cl)c2O)[C@]12CCCO2 ZINC000806157676 1135403329 /nfs/dbraw/zinc/40/33/29/1135403329.db2.gz ATDCNEUNGJOJJN-KYHPRHEASA-N 1 2 339.863 3.813 20 10 EHCDLO COC(=O)[C@@]1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCCC(C)(C)C1 ZINC001196238735 1135539295 /nfs/dbraw/zinc/53/92/95/1135539295.db2.gz UAMXDEKPDRYAAF-HXUWFJFHSA-N 1 2 332.488 3.663 20 10 EHCDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](Cc1ccc(N(C)C)cc1)C3 ZINC001197342541 1135681830 /nfs/dbraw/zinc/68/18/30/1135681830.db2.gz OIEIQXYPMQXJOL-UHFFFAOYSA-N 1 2 335.451 3.801 20 10 EHCDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](Cc1ccc(N(C)C)cc1)C3 ZINC001197342541 1135681835 /nfs/dbraw/zinc/68/18/35/1135681835.db2.gz OIEIQXYPMQXJOL-UHFFFAOYSA-N 1 2 335.451 3.801 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758108 1135888049 /nfs/dbraw/zinc/88/80/49/1135888049.db2.gz COJSZEZGXSJNSK-CHWSQXEVSA-N 1 2 327.827 3.823 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758108 1135888053 /nfs/dbraw/zinc/88/80/53/1135888053.db2.gz COJSZEZGXSJNSK-CHWSQXEVSA-N 1 2 327.827 3.823 20 10 EHCDLO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc(Cl)c3O)c2c1 ZINC000809791962 1135893338 /nfs/dbraw/zinc/89/33/38/1135893338.db2.gz CVALYNVZCWQQNC-UHFFFAOYSA-N 1 2 345.786 3.767 20 10 EHCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)no1 ZINC000810255212 1135949227 /nfs/dbraw/zinc/94/92/27/1135949227.db2.gz MWTURVGREFKRTN-GHMZBOCLSA-N 1 2 339.823 3.685 20 10 EHCDLO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2)cc1 ZINC000850489931 1136269912 /nfs/dbraw/zinc/26/99/12/1136269912.db2.gz YFZNNRIVESPVSJ-TZMCWYRMSA-N 1 2 348.393 3.609 20 10 EHCDLO CC[C@H]([NH2+][C@@H](COC)C1CCOCC1)c1cccc(Cl)c1O ZINC000850492686 1136271089 /nfs/dbraw/zinc/27/10/89/1136271089.db2.gz DBMGFZZGNXDJAM-HOTGVXAUSA-N 1 2 327.852 3.528 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cccc(Cl)c1O ZINC000850501217 1136272930 /nfs/dbraw/zinc/27/29/30/1136272930.db2.gz MRNPMHZTFXFOHQ-HZPDHXFCSA-N 1 2 344.842 3.674 20 10 EHCDLO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Br)c(F)cc1O ZINC000850537118 1136281563 /nfs/dbraw/zinc/28/15/63/1136281563.db2.gz RCCZCKOTBBQCEP-MADCSZMMSA-N 1 2 338.167 3.990 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2occc2C(=O)OC)cc1 ZINC000817792203 1136840525 /nfs/dbraw/zinc/84/05/25/1136840525.db2.gz OVOMXFKZMOGQBG-UHFFFAOYSA-N 1 2 330.428 3.544 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2occc2C(=O)OC)cc1 ZINC000817792203 1136840528 /nfs/dbraw/zinc/84/05/28/1136840528.db2.gz OVOMXFKZMOGQBG-UHFFFAOYSA-N 1 2 330.428 3.544 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000863547901 1137191807 /nfs/dbraw/zinc/19/18/07/1137191807.db2.gz SCBXMHZEYKNMDS-WCABBAIRSA-N 1 2 347.684 3.599 20 10 EHCDLO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000794834986 1137276255 /nfs/dbraw/zinc/27/62/55/1137276255.db2.gz YSDYPGSLHBEGQX-MNOVXSKESA-N 1 2 347.272 3.675 20 10 EHCDLO Cc1cc(O)c(C[NH2+]Cc2ncc(Br)s2)c(Cl)c1 ZINC000865850517 1137316639 /nfs/dbraw/zinc/31/66/39/1137316639.db2.gz ZGRAVOBIMXGDQM-UHFFFAOYSA-N 1 2 347.665 3.863 20 10 EHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000874230463 1137611814 /nfs/dbraw/zinc/61/18/14/1137611814.db2.gz BCBBLOBNJJLBGV-LJQANCHMSA-N 1 2 342.487 3.585 20 10 EHCDLO Oc1c(C[NH+]2CCC(OC3CCCCC3)CC2)ccc(F)c1F ZINC000876658391 1137658272 /nfs/dbraw/zinc/65/82/72/1137658272.db2.gz VGUYQLHLMRQPDJ-UHFFFAOYSA-N 1 2 325.399 3.984 20 10 EHCDLO CN(C)c1ccc(C[N@H+](Cc2nc(C3CCC3)no2)C2CC2)cc1 ZINC000877977039 1137698020 /nfs/dbraw/zinc/69/80/20/1137698020.db2.gz KZDAKVGSOJSVTG-UHFFFAOYSA-N 1 2 326.444 3.568 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](Cc2nc(C3CCC3)no2)C2CC2)cc1 ZINC000877977039 1137698021 /nfs/dbraw/zinc/69/80/21/1137698021.db2.gz KZDAKVGSOJSVTG-UHFFFAOYSA-N 1 2 326.444 3.568 20 10 EHCDLO C[C@H]([NH2+]CCc1ccns1)c1cc(Br)cc(F)c1O ZINC000883247831 1137850426 /nfs/dbraw/zinc/85/04/26/1137850426.db2.gz YBXCABIXSPWXAH-QMMMGPOBSA-N 1 2 345.237 3.644 20 10 EHCDLO Oc1c(Cl)cccc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000191676351 1140478156 /nfs/dbraw/zinc/47/81/56/1140478156.db2.gz AWOVRGOBSGKVJH-UHFFFAOYSA-N 1 2 336.794 3.623 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000120216446 1014744989 /nfs/dbraw/zinc/74/49/89/1014744989.db2.gz KENNXKYGDKZDFO-MWLCHTKSSA-N 1 2 346.240 3.902 20 10 EHCDLO CC[C@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1cccc(Cl)c1O ZINC000376835471 1017157949 /nfs/dbraw/zinc/15/79/49/1017157949.db2.gz UEKVIXOZCKZDGJ-BBRMVZONSA-N 1 2 331.847 3.742 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000897862898 1033214354 /nfs/dbraw/zinc/21/43/54/1033214354.db2.gz UDEAOIXDNNTQTK-UHFFFAOYSA-N 1 2 349.789 3.735 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711500864 1028708980 /nfs/dbraw/zinc/70/89/80/1028708980.db2.gz YMIOZTPEYCEHRH-SECBINFHSA-N 1 2 336.632 3.990 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000711500864 1028708995 /nfs/dbraw/zinc/70/89/95/1028708995.db2.gz YMIOZTPEYCEHRH-SECBINFHSA-N 1 2 336.632 3.990 20 10 EHCDLO CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898219753 1033375907 /nfs/dbraw/zinc/37/59/07/1033375907.db2.gz LCCZDLBLTYXMIP-UHFFFAOYSA-N 1 2 328.243 3.846 20 10 EHCDLO COc1cc(C)cc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1O ZINC000894000016 1039954719 /nfs/dbraw/zinc/95/47/19/1039954719.db2.gz DXKOMTJRVROBHJ-UHFFFAOYSA-N 1 2 337.423 3.635 20 10 EHCDLO COc1cc(C)cc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1O ZINC000894000016 1039954732 /nfs/dbraw/zinc/95/47/32/1039954732.db2.gz DXKOMTJRVROBHJ-UHFFFAOYSA-N 1 2 337.423 3.635 20 10 EHCDLO COc1ccc(O)c([C@@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000325027306 1126822778 /nfs/dbraw/zinc/82/27/78/1126822778.db2.gz HZLXBPZWBFQWPG-CQSZACIVSA-N 1 2 327.428 3.959 20 10 EHCDLO C[C@H]([NH2+]CCOCC1CCC1)c1cc(Br)cc(F)c1O ZINC000765806414 1128408792 /nfs/dbraw/zinc/40/87/92/1128408792.db2.gz CCTKYOBAGAEALH-JTQLQIEISA-N 1 2 346.240 3.761 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccccc1 ZINC000180941031 1124459843 /nfs/dbraw/zinc/45/98/43/1124459843.db2.gz WQZIKVYSAPHDHV-OAHLLOKOSA-N 1 2 343.423 3.527 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccccc1 ZINC000180941031 1124459847 /nfs/dbraw/zinc/45/98/47/1124459847.db2.gz WQZIKVYSAPHDHV-OAHLLOKOSA-N 1 2 343.423 3.527 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCn1cnc2ccccc21 ZINC001177127728 1133029971 /nfs/dbraw/zinc/02/99/71/1133029971.db2.gz LFCYCECNFMDNBV-UHFFFAOYSA-N 1 2 333.794 3.714 20 10 EHCDLO CCc1nc(C[N@H+](C)Cc2cc(Br)ccc2O)cs1 ZINC000769122277 1133230022 /nfs/dbraw/zinc/23/00/22/1133230022.db2.gz YAAKEASZMLEXIX-UHFFFAOYSA-N 1 2 341.274 3.806 20 10 EHCDLO CCc1nc(C[N@@H+](C)Cc2cc(Br)ccc2O)cs1 ZINC000769122277 1133230029 /nfs/dbraw/zinc/23/00/29/1133230029.db2.gz YAAKEASZMLEXIX-UHFFFAOYSA-N 1 2 341.274 3.806 20 10 EHCDLO C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769515426 1133307109 /nfs/dbraw/zinc/30/71/09/1133307109.db2.gz QBQQRCFVHWXKKQ-ZDUSSCGKSA-N 1 2 343.298 3.863 20 10 EHCDLO C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769515426 1133307115 /nfs/dbraw/zinc/30/71/15/1133307115.db2.gz QBQQRCFVHWXKKQ-ZDUSSCGKSA-N 1 2 343.298 3.863 20 10 EHCDLO C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769515426 1133307118 /nfs/dbraw/zinc/30/71/18/1133307118.db2.gz QBQQRCFVHWXKKQ-ZDUSSCGKSA-N 1 2 343.298 3.863 20 10 EHCDLO C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769515426 1133307121 /nfs/dbraw/zinc/30/71/21/1133307121.db2.gz QBQQRCFVHWXKKQ-ZDUSSCGKSA-N 1 2 343.298 3.863 20 10 EHCDLO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC001180430443 1133369247 /nfs/dbraw/zinc/36/92/47/1133369247.db2.gz NMJRXOALGPZUMK-SREVYHEPSA-N 1 2 348.450 3.547 20 10 EHCDLO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC001180430443 1133369253 /nfs/dbraw/zinc/36/92/53/1133369253.db2.gz NMJRXOALGPZUMK-SREVYHEPSA-N 1 2 348.450 3.547 20 10 EHCDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC001180933885 1133431447 /nfs/dbraw/zinc/43/14/47/1133431447.db2.gz DEXDGALSHABIMW-CYBMUJFWSA-N 1 2 349.471 3.614 20 10 EHCDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC001180933885 1133431451 /nfs/dbraw/zinc/43/14/51/1133431451.db2.gz DEXDGALSHABIMW-CYBMUJFWSA-N 1 2 349.471 3.614 20 10 EHCDLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)Cc1ccccc1O ZINC000770510915 1133436720 /nfs/dbraw/zinc/43/67/20/1133436720.db2.gz VKSZRRQPAWIIRR-UHFFFAOYSA-N 1 2 341.411 3.804 20 10 EHCDLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(Br)cn1 ZINC001181373811 1133481550 /nfs/dbraw/zinc/48/15/50/1133481550.db2.gz SHBFVKMIUILSJL-QMMMGPOBSA-N 1 2 343.171 3.679 20 10 EHCDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001181391259 1133487359 /nfs/dbraw/zinc/48/73/59/1133487359.db2.gz VTNXRCBIVJAJJC-LBPRGKRZSA-N 1 2 336.357 3.520 20 10 EHCDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001181391259 1133487363 /nfs/dbraw/zinc/48/73/63/1133487363.db2.gz VTNXRCBIVJAJJC-LBPRGKRZSA-N 1 2 336.357 3.520 20 10 EHCDLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000774087330 1133606962 /nfs/dbraw/zinc/60/69/62/1133606962.db2.gz BOVWNHZZGRVYSB-MRXNPFEDSA-N 1 2 349.434 3.756 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cc(Cl)c(Cl)cc1O ZINC000774124589 1133617836 /nfs/dbraw/zinc/61/78/36/1133617836.db2.gz VNHCZIYGYVUHQA-VQISRLSMSA-N 1 2 329.271 3.976 20 10 EHCDLO Cc1cc(CC[NH2+][C@H](C)C(=O)OC(C)(C)C)c(C)n1-c1ccccc1 ZINC001183179245 1133776181 /nfs/dbraw/zinc/77/61/81/1133776181.db2.gz CHUUMTBBOWHZMF-MRXNPFEDSA-N 1 2 342.483 3.956 20 10 EHCDLO COc1ccc(N2CC[C@H](Nc3cc(C)[nH+]c(C4CCC4)n3)C2)cc1 ZINC001186999740 1134285567 /nfs/dbraw/zinc/28/55/67/1134285567.db2.gz UUOQQLQQCDTAAX-INIZCTEOSA-N 1 2 338.455 3.752 20 10 EHCDLO COc1cc(Cl)cc(C[NH2+]CC(F)(F)c2ccccc2)c1O ZINC000789580415 1134298364 /nfs/dbraw/zinc/29/83/64/1134298364.db2.gz LMCIMIVOMTZADF-UHFFFAOYSA-N 1 2 327.758 3.936 20 10 EHCDLO C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(Br)c(F)cc1O ZINC000790497191 1134426240 /nfs/dbraw/zinc/42/62/40/1134426240.db2.gz LMGSMOLYWGIHNM-RKDXNWHRSA-N 1 2 334.254 3.698 20 10 EHCDLO C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(Br)cc(F)c1O ZINC000790498815 1134426810 /nfs/dbraw/zinc/42/68/10/1134426810.db2.gz SUJOBSOTCRXZIN-IUCAKERBSA-N 1 2 334.254 3.698 20 10 EHCDLO COc1ccc(C[N@H+](C)Cc2c(O)ccc(Cl)c2F)cc1F ZINC000792156324 1134659212 /nfs/dbraw/zinc/65/92/12/1134659212.db2.gz APOWNLWUSUYTIK-UHFFFAOYSA-N 1 2 327.758 3.964 20 10 EHCDLO COc1ccc(C[N@@H+](C)Cc2c(O)ccc(Cl)c2F)cc1F ZINC000792156324 1134659214 /nfs/dbraw/zinc/65/92/14/1134659214.db2.gz APOWNLWUSUYTIK-UHFFFAOYSA-N 1 2 327.758 3.964 20 10 EHCDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167217 1134661716 /nfs/dbraw/zinc/66/17/16/1134661716.db2.gz FANHIKZAZGCFRV-UHFFFAOYSA-N 1 2 343.826 3.738 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1cccc(Cl)c1O ZINC000806133323 1135388802 /nfs/dbraw/zinc/38/88/02/1135388802.db2.gz LDQQLIDKFHMRMY-RDTXWAMCSA-N 1 2 349.858 3.835 20 10 EHCDLO CC[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000806142122 1135399857 /nfs/dbraw/zinc/39/98/57/1135399857.db2.gz YQNLDANYOBKCGU-CZUORRHYSA-N 1 2 327.852 3.530 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000806181593 1135406865 /nfs/dbraw/zinc/40/68/65/1135406865.db2.gz YNTZINDKUZEJOB-BLLLJJGKSA-N 1 2 328.378 3.501 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1cc(F)cc(F)c1O ZINC000806663722 1135482580 /nfs/dbraw/zinc/48/25/80/1135482580.db2.gz RTMRVSAKYVDKQR-CKFHNAJUSA-N 1 2 346.421 3.984 20 10 EHCDLO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775738888 1135598014 /nfs/dbraw/zinc/59/80/14/1135598014.db2.gz LADOQIZBLILOGS-GFCCVEGCSA-N 1 2 343.826 3.740 20 10 EHCDLO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775738888 1135598019 /nfs/dbraw/zinc/59/80/19/1135598019.db2.gz LADOQIZBLILOGS-GFCCVEGCSA-N 1 2 343.826 3.740 20 10 EHCDLO CCS[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775833199 1135790419 /nfs/dbraw/zinc/79/04/19/1135790419.db2.gz HZEYSSYTJWGVTI-QWHCGFSZSA-N 1 2 334.489 3.801 20 10 EHCDLO COC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000809706404 1135874847 /nfs/dbraw/zinc/87/48/47/1135874847.db2.gz XLQQVMNCGOOQCL-UHFFFAOYSA-N 1 2 338.766 3.653 20 10 EHCDLO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000810244485 1135947813 /nfs/dbraw/zinc/94/78/13/1135947813.db2.gz FGTMEJMQUAJMAQ-QWRGUYRKSA-N 1 2 347.272 3.673 20 10 EHCDLO Cn1c(C[NH2+]Cc2cc(F)cc(F)c2O)nc2cccc(Cl)c21 ZINC001202050476 1136086471 /nfs/dbraw/zinc/08/64/71/1136086471.db2.gz MDKQWHGRLFGQKO-UHFFFAOYSA-N 1 2 337.757 3.500 20 10 EHCDLO Cc1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc(N2CCCC2)n1 ZINC000811513940 1136103787 /nfs/dbraw/zinc/10/37/87/1136103787.db2.gz WUJWPWZWWCQEPZ-UHFFFAOYSA-N 1 2 349.837 3.778 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cccc(Cl)c1O ZINC000850501220 1136272561 /nfs/dbraw/zinc/27/25/61/1136272561.db2.gz MRNPMHZTFXFOHQ-JKSUJKDBSA-N 1 2 344.842 3.674 20 10 EHCDLO CC[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cccc(Cl)c1O ZINC000850531391 1136280062 /nfs/dbraw/zinc/28/00/62/1136280062.db2.gz CTWBTVFKBBKLDP-NFAWXSAZSA-N 1 2 331.790 3.901 20 10 EHCDLO C[C@@H]([NH2+]CCCC1(O)CCC1)c1cc(Br)c(F)cc1O ZINC000817585746 1136826038 /nfs/dbraw/zinc/82/60/38/1136826038.db2.gz HRBMBYSQMVKLTJ-SNVBAGLBSA-N 1 2 346.240 3.640 20 10 EHCDLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(F)c(N(C)C)cc2F)o1 ZINC000858145122 1136943417 /nfs/dbraw/zinc/94/34/17/1136943417.db2.gz MHLOXZIQIKEMPL-MRXNPFEDSA-N 1 2 338.398 3.664 20 10 EHCDLO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000823464737 1137100828 /nfs/dbraw/zinc/10/08/28/1137100828.db2.gz KLXYPZGDWVTEHX-UHFFFAOYSA-N 1 2 338.480 3.666 20 10 EHCDLO CN(Cc1cccs1)c1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000823464737 1137100829 /nfs/dbraw/zinc/10/08/29/1137100829.db2.gz KLXYPZGDWVTEHX-UHFFFAOYSA-N 1 2 338.480 3.666 20 10 EHCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)N1c2ccccc2C[C@@H]1C ZINC000825112969 1137165860 /nfs/dbraw/zinc/16/58/60/1137165860.db2.gz XHNQFDRSFHMKDY-QWHCGFSZSA-N 1 2 344.842 3.502 20 10 EHCDLO C[C@H]([NH2+]CCc1ccco1)c1cc(Br)c(F)cc1O ZINC000119880952 1137217694 /nfs/dbraw/zinc/21/76/94/1137217694.db2.gz CPKBPACOXGXOPR-VIFPVBQESA-N 1 2 328.181 3.780 20 10 EHCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cc(Cl)ccc1O ZINC000845709745 1137305715 /nfs/dbraw/zinc/30/57/15/1137305715.db2.gz WNCFOZYVBOJIFP-UHFFFAOYSA-N 1 2 331.807 3.552 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282754830 1137448846 /nfs/dbraw/zinc/44/88/46/1137448846.db2.gz SVQPFEUWORMQLN-CQSZACIVSA-N 1 2 340.261 3.594 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282754829 1137448873 /nfs/dbraw/zinc/44/88/73/1137448873.db2.gz SVQPFEUWORMQLN-AWEZNQCLSA-N 1 2 340.261 3.594 20 10 EHCDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000773045826 1137461530 /nfs/dbraw/zinc/46/15/30/1137461530.db2.gz XWTIZMMIORKMFO-CYBMUJFWSA-N 1 2 339.418 3.528 20 10 EHCDLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000773045826 1137461532 /nfs/dbraw/zinc/46/15/32/1137461532.db2.gz XWTIZMMIORKMFO-CYBMUJFWSA-N 1 2 339.418 3.528 20 10 EHCDLO OC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1cccc(C(F)(F)F)c1 ZINC000877664522 1137684860 /nfs/dbraw/zinc/68/48/60/1137684860.db2.gz SMDJKLRKKDALCP-ZDUSSCGKSA-N 1 2 347.283 3.512 20 10 EHCDLO Cc1nc(C[N@@H+](C)Cc2ccccc2O)sc1Br ZINC000878243081 1137708386 /nfs/dbraw/zinc/70/83/86/1137708386.db2.gz ZKRAOWHRZVSNCQ-UHFFFAOYSA-N 1 2 327.247 3.552 20 10 EHCDLO Cc1nc(C[N@H+](C)Cc2ccccc2O)sc1Br ZINC000878243081 1137708387 /nfs/dbraw/zinc/70/83/87/1137708387.db2.gz ZKRAOWHRZVSNCQ-UHFFFAOYSA-N 1 2 327.247 3.552 20 10 EHCDLO CC[C@H]([NH2+][C@H](C)c1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000886520450 1138088941 /nfs/dbraw/zinc/08/89/41/1138088941.db2.gz FEKGQPSQRXGYLR-OCCSQVGLSA-N 1 2 332.423 3.651 20 10 EHCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)[C@H]1CCCCO1 ZINC000758499676 1019336996 /nfs/dbraw/zinc/33/69/96/1019336996.db2.gz TVEFWBOJDBBTKH-CQSZACIVSA-N 1 2 342.277 3.840 20 10 EHCDLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)CC1(C)C ZINC000894905144 1022127753 /nfs/dbraw/zinc/12/77/53/1022127753.db2.gz SMRXTHNUDLRYTC-CYBMUJFWSA-N 1 2 346.240 3.541 20 10 EHCDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000894963623 1022294289 /nfs/dbraw/zinc/29/42/89/1022294289.db2.gz RLBJISKAQULEFO-UHFFFAOYSA-N 1 2 345.389 3.734 20 10 EHCDLO CCCN(CCC)c1ccc(C[NH2+]Cc2nc(C(F)F)no2)cc1 ZINC000895727336 1024773396 /nfs/dbraw/zinc/77/33/96/1024773396.db2.gz BPDIKPVZJDIQGL-UHFFFAOYSA-N 1 2 338.402 3.923 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000896194831 1025241572 /nfs/dbraw/zinc/24/15/72/1025241572.db2.gz GLNBYTMSUVIOAF-UHFFFAOYSA-N 1 2 335.810 3.656 20 10 EHCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896225188 1025257072 /nfs/dbraw/zinc/25/70/72/1025257072.db2.gz UIMPIBCUMCEYME-LBPRGKRZSA-N 1 2 325.252 3.537 20 10 EHCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896225188 1025257083 /nfs/dbraw/zinc/25/70/83/1025257083.db2.gz UIMPIBCUMCEYME-LBPRGKRZSA-N 1 2 325.252 3.537 20 10 EHCDLO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000840822389 1026406326 /nfs/dbraw/zinc/40/63/26/1026406326.db2.gz UEJFSUJPYOQSKK-WQHBLYJGSA-N 1 2 332.213 3.512 20 10 EHCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCSc1nccs1 ZINC000301887703 1026980404 /nfs/dbraw/zinc/98/04/04/1026980404.db2.gz QZDBCLCEQRANKW-UHFFFAOYSA-N 1 2 348.501 3.632 20 10 EHCDLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccccc1O ZINC000272810374 1027127802 /nfs/dbraw/zinc/12/78/02/1027127802.db2.gz CZDROAMOMHNRSI-KFWWJZLASA-N 1 2 327.428 3.574 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1csc(C2CC2)n1)C[C@H]1CCCO1 ZINC000163105629 1029940420 /nfs/dbraw/zinc/94/04/20/1029940420.db2.gz IIAKUIRZGMFBMR-QGZVFWFLSA-N 1 2 344.480 3.907 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1csc(C2CC2)n1)C[C@H]1CCCO1 ZINC000163105629 1029940439 /nfs/dbraw/zinc/94/04/39/1029940439.db2.gz IIAKUIRZGMFBMR-QGZVFWFLSA-N 1 2 344.480 3.907 20 10 EHCDLO COc1ccccc1N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000898215645 1033373331 /nfs/dbraw/zinc/37/33/31/1033373331.db2.gz PKWXGWOKHFATFO-UHFFFAOYSA-N 1 2 346.858 3.813 20 10 EHCDLO CCS[C@@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)n1 ZINC000178142456 1035859581 /nfs/dbraw/zinc/85/95/81/1035859581.db2.gz ATYOVJKGRYDXJB-LBPRGKRZSA-N 1 2 347.484 3.710 20 10 EHCDLO CCS[C@@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)n1 ZINC000178142456 1035859603 /nfs/dbraw/zinc/85/96/03/1035859603.db2.gz ATYOVJKGRYDXJB-LBPRGKRZSA-N 1 2 347.484 3.710 20 10 EHCDLO Cc1[nH+]ccn1-c1ncccc1NCc1c(O)ccc(Cl)c1F ZINC000191476160 1036386661 /nfs/dbraw/zinc/38/66/61/1036386661.db2.gz JPEBDUAENPNMHC-UHFFFAOYSA-N 1 2 332.766 3.686 20 10 EHCDLO Cc1c2ccccc2n(C)c1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000480507278 1039619168 /nfs/dbraw/zinc/61/91/68/1039619168.db2.gz XKASYYURKVSVGW-UHFFFAOYSA-N 1 2 335.455 3.879 20 10 EHCDLO Cc1c2ccccc2n(C)c1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000480507278 1039619174 /nfs/dbraw/zinc/61/91/74/1039619174.db2.gz XKASYYURKVSVGW-UHFFFAOYSA-N 1 2 335.455 3.879 20 10 EHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000781908430 1040514311 /nfs/dbraw/zinc/51/43/11/1040514311.db2.gz IVCYFVJZUSVXRD-UHFFFAOYSA-N 1 2 340.261 3.608 20 10 EHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000781908430 1040514330 /nfs/dbraw/zinc/51/43/30/1040514330.db2.gz IVCYFVJZUSVXRD-UHFFFAOYSA-N 1 2 340.261 3.608 20 10 EHCDLO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nc(C2CC2)no1 ZINC000921740155 1128707434 /nfs/dbraw/zinc/70/74/34/1128707434.db2.gz IQKMQFNGEJDGFW-QGZVFWFLSA-N 1 2 327.428 3.759 20 10 EHCDLO CCCCc1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000917074063 1122470859 /nfs/dbraw/zinc/47/08/59/1122470859.db2.gz OXEKUXMITIWLEL-UHFFFAOYSA-N 1 2 328.460 3.643 20 10 EHCDLO CCCCc1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000917074063 1122470862 /nfs/dbraw/zinc/47/08/62/1122470862.db2.gz OXEKUXMITIWLEL-UHFFFAOYSA-N 1 2 328.460 3.643 20 10 EHCDLO COc1ccc(O)c([C@H](C)[NH2+]CC(F)(F)c2ccc(F)cc2)c1 ZINC001168711328 1129338196 /nfs/dbraw/zinc/33/81/96/1129338196.db2.gz ABDXBYNSGNWENV-NSHDSACASA-N 1 2 325.330 3.983 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC001177599193 1133083479 /nfs/dbraw/zinc/08/34/79/1133083479.db2.gz BOSRVAQIQBNLDD-UHFFFAOYSA-N 1 2 345.805 3.703 20 10 EHCDLO CC1(C)[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1(F)F ZINC001179228965 1133238524 /nfs/dbraw/zinc/23/85/24/1133238524.db2.gz XRIJXQJRWOSJSB-JTQLQIEISA-N 1 2 338.167 3.675 20 10 EHCDLO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC001179771374 1133277026 /nfs/dbraw/zinc/27/70/26/1133277026.db2.gz AYKFUEWRPXWJJN-YOEHRIQHSA-N 1 2 330.859 3.971 20 10 EHCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(F)(F)c2ccccc2)c1 ZINC000788980882 1134206234 /nfs/dbraw/zinc/20/62/34/1134206234.db2.gz OOSQRZFZUPJDTI-LBPRGKRZSA-N 1 2 335.350 3.621 20 10 EHCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2O)[C@H](c2ccccc2)C1 ZINC000775633811 1135363789 /nfs/dbraw/zinc/36/37/89/1135363789.db2.gz LECZHAGEHRQWAM-KRWDZBQOSA-N 1 2 334.822 3.673 20 10 EHCDLO C[N@H+]1CCN(Cc2cc(Cl)cc(F)c2O)[C@H](c2ccccc2)C1 ZINC000775633811 1135363794 /nfs/dbraw/zinc/36/37/94/1135363794.db2.gz LECZHAGEHRQWAM-KRWDZBQOSA-N 1 2 334.822 3.673 20 10 EHCDLO Cc1cc(Br)cc(C[N@@H+]2CCn3cccc3[C@H]2C)c1O ZINC000775643501 1135385646 /nfs/dbraw/zinc/38/56/46/1135385646.db2.gz SAURYCJJKXPVNT-GFCCVEGCSA-N 1 2 335.245 3.841 20 10 EHCDLO Cc1cc(Br)cc(C[N@H+]2CCn3cccc3[C@H]2C)c1O ZINC000775643501 1135385651 /nfs/dbraw/zinc/38/56/51/1135385651.db2.gz SAURYCJJKXPVNT-GFCCVEGCSA-N 1 2 335.245 3.841 20 10 EHCDLO CC[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc(Cl)c1O ZINC000806132472 1135387962 /nfs/dbraw/zinc/38/79/62/1135387962.db2.gz WUIOBETYDCAXBQ-MRXNPFEDSA-N 1 2 342.830 3.867 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161136 1135404446 /nfs/dbraw/zinc/40/44/46/1135404446.db2.gz NIKYWCGLJZATOQ-RISCZKNCSA-N 1 2 340.254 3.951 20 10 EHCDLO COc1cc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)cc(OC)c1 ZINC000775653653 1135419751 /nfs/dbraw/zinc/41/97/51/1135419751.db2.gz LRJKCUOYRVITBP-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO COc1cc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)cc(OC)c1 ZINC000775653653 1135419758 /nfs/dbraw/zinc/41/97/58/1135419758.db2.gz LRJKCUOYRVITBP-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000809703513 1135874459 /nfs/dbraw/zinc/87/44/59/1135874459.db2.gz LKQFEYYIGOYQNJ-BXUZGUMPSA-N 1 2 329.271 3.758 20 10 EHCDLO CCN(CC)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccco1 ZINC000776115903 1135960190 /nfs/dbraw/zinc/96/01/90/1135960190.db2.gz YFYAHXJNOVOUQD-OAHLLOKOSA-N 1 2 340.826 3.950 20 10 EHCDLO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000776222529 1136070923 /nfs/dbraw/zinc/07/09/23/1136070923.db2.gz NSBYCLBTHAEWJP-LBPRGKRZSA-N 1 2 335.831 3.784 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cccc(Cl)c1O ZINC000850503193 1136273273 /nfs/dbraw/zinc/27/32/73/1136273273.db2.gz UZVLPUZGFOTPMI-LSPFPRMESA-N 1 2 329.893 3.776 20 10 EHCDLO COC(=O)c1coc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000111232787 1136524740 /nfs/dbraw/zinc/52/47/40/1136524740.db2.gz WWKSAIZQKJXPQX-UHFFFAOYSA-N 1 2 341.363 3.567 20 10 EHCDLO COC(=O)c1coc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000111232787 1136524742 /nfs/dbraw/zinc/52/47/42/1136524742.db2.gz WWKSAIZQKJXPQX-UHFFFAOYSA-N 1 2 341.363 3.567 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccc(Cl)c2O)[C@@H]1n1cccn1 ZINC000815660895 1136623246 /nfs/dbraw/zinc/62/32/46/1136623246.db2.gz NECPLEWNJMBSGV-NXOAAHMSSA-N 1 2 349.862 3.702 20 10 EHCDLO C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1cc(F)cc(F)c1O ZINC000815637233 1136624309 /nfs/dbraw/zinc/62/43/09/1136624309.db2.gz QORDMFTUIUMLDN-SECBINFHSA-N 1 2 346.299 3.978 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nc(C(C)(C)C)no1 ZINC000816590763 1136734707 /nfs/dbraw/zinc/73/47/07/1136734707.db2.gz LBADBYBQXUWPLK-QMMMGPOBSA-N 1 2 327.787 3.716 20 10 EHCDLO Oc1c(C[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)ccc2ccccc21 ZINC000816564272 1136737222 /nfs/dbraw/zinc/73/72/22/1136737222.db2.gz ZMUBOPNWSJERKJ-UHFFFAOYSA-N 1 2 348.381 3.759 20 10 EHCDLO Oc1c(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)ccc2ccccc21 ZINC000816564272 1136737223 /nfs/dbraw/zinc/73/72/23/1136737223.db2.gz ZMUBOPNWSJERKJ-UHFFFAOYSA-N 1 2 348.381 3.759 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+](C)Cc2c(F)cccc2F)c1O ZINC000816652107 1136745029 /nfs/dbraw/zinc/74/50/29/1136745029.db2.gz ZMAAGDZVZPLNTD-UHFFFAOYSA-N 1 2 327.758 3.964 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2c(F)cccc2F)c1O ZINC000816652107 1136745030 /nfs/dbraw/zinc/74/50/30/1136745030.db2.gz ZMAAGDZVZPLNTD-UHFFFAOYSA-N 1 2 327.758 3.964 20 10 EHCDLO CC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(Cl)c1O ZINC000817981514 1136854875 /nfs/dbraw/zinc/85/48/75/1136854875.db2.gz SOAQNELBLWKNAF-VXGBXAGGSA-N 1 2 339.213 3.737 20 10 EHCDLO COc1ccc(N2CC[C@H](CNc3cc(C)[nH+]c(C4CC4)n3)C2)cc1 ZINC000819935621 1136968411 /nfs/dbraw/zinc/96/84/11/1136968411.db2.gz NZHUZHBSPKIPED-OAHLLOKOSA-N 1 2 338.455 3.609 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(Cl)c1O ZINC000858537419 1136977086 /nfs/dbraw/zinc/97/70/86/1136977086.db2.gz OCOVUPLKMIPZSV-DAYGRLMNSA-N 1 2 348.830 3.717 20 10 EHCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000824644096 1137146008 /nfs/dbraw/zinc/14/60/08/1137146008.db2.gz MUXIWMLZWKNQPF-VHSXEESVSA-N 1 2 346.830 3.576 20 10 EHCDLO Cc1cc(O)c(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc1Cl ZINC000824970823 1137160346 /nfs/dbraw/zinc/16/03/46/1137160346.db2.gz XQQRWKSJGLJLDG-UHFFFAOYSA-N 1 2 346.858 3.927 20 10 EHCDLO C[C@@H](O)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1F ZINC000846015539 1137325920 /nfs/dbraw/zinc/32/59/20/1137325920.db2.gz YGSHKNKPWCVSOX-ABKXIKBNSA-N 1 2 327.758 3.536 20 10 EHCDLO F[C@H]1COc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000866230076 1137336944 /nfs/dbraw/zinc/33/69/44/1137336944.db2.gz WOYKAQODYATNHW-AZUAARDMSA-N 1 2 326.415 3.848 20 10 EHCDLO CC(C)n1ncc2cc(C[N@@H+]3Cc4cccc(O)c4C3)c(Cl)nc21 ZINC000877703290 1137686421 /nfs/dbraw/zinc/68/64/21/1137686421.db2.gz AAXOJQWLOSCUFB-UHFFFAOYSA-N 1 2 342.830 3.887 20 10 EHCDLO CC(C)n1ncc2cc(C[N@H+]3Cc4cccc(O)c4C3)c(Cl)nc21 ZINC000877703290 1137686422 /nfs/dbraw/zinc/68/64/22/1137686422.db2.gz AAXOJQWLOSCUFB-UHFFFAOYSA-N 1 2 342.830 3.887 20 10 EHCDLO CC1(C)CCc2onc(C[NH2+]Cc3cc(Cl)cc(F)c3O)c2C1 ZINC000877810217 1137690727 /nfs/dbraw/zinc/69/07/27/1137690727.db2.gz RCGSIPADIRAPRT-UHFFFAOYSA-N 1 2 338.810 3.977 20 10 EHCDLO CC(C)COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccco1 ZINC000882951694 1137839523 /nfs/dbraw/zinc/83/95/23/1137839523.db2.gz QWARHVLWPUOFON-OAHLLOKOSA-N 1 2 325.355 3.767 20 10 EHCDLO CC[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1cccc(Cl)c1O ZINC000883361626 1137857448 /nfs/dbraw/zinc/85/74/48/1137857448.db2.gz HYXIKTHWBXNSIG-UWVGGRQHSA-N 1 2 347.711 3.645 20 10 EHCDLO CCCOc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c(O)c1 ZINC000123335273 1138269397 /nfs/dbraw/zinc/26/93/97/1138269397.db2.gz OUPNZEUVPIURBT-UHFFFAOYSA-N 1 2 343.471 3.596 20 10 EHCDLO CCCOc1ccc(C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c(O)c1 ZINC000123335273 1138269400 /nfs/dbraw/zinc/26/94/00/1138269400.db2.gz OUPNZEUVPIURBT-UHFFFAOYSA-N 1 2 343.471 3.596 20 10 EHCDLO CCCOc1ccc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c(O)c1 ZINC000123335273 1138269401 /nfs/dbraw/zinc/26/94/01/1138269401.db2.gz OUPNZEUVPIURBT-UHFFFAOYSA-N 1 2 343.471 3.596 20 10 EHCDLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c1O ZINC000185643570 1140160375 /nfs/dbraw/zinc/16/03/75/1140160375.db2.gz VWFCJDLQRFFFOT-QGZVFWFLSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cccc(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c1O ZINC000185643570 1140160377 /nfs/dbraw/zinc/16/03/77/1140160377.db2.gz VWFCJDLQRFFFOT-QGZVFWFLSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000185766925 1140168856 /nfs/dbraw/zinc/16/88/56/1140168856.db2.gz VXDMSGVAUKXDHA-OLZOCXBDSA-N 1 2 339.395 3.863 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(Br)cc(F)c1O ZINC000376894632 1017185058 /nfs/dbraw/zinc/18/50/58/1017185058.db2.gz UBKIOGNCERRHLX-ZXCZTKLOSA-N 1 2 344.224 3.512 20 10 EHCDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)CC1(C)C ZINC000894905147 1022126826 /nfs/dbraw/zinc/12/68/26/1022126826.db2.gz SMRXTHNUDLRYTC-ZDUSSCGKSA-N 1 2 346.240 3.541 20 10 EHCDLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Cl)c(Cl)cc1O ZINC000281917023 1024458362 /nfs/dbraw/zinc/45/83/62/1024458362.db2.gz AHKSBKXLXQPDRM-SECBINFHSA-N 1 2 343.258 3.896 20 10 EHCDLO COc1ccc(C[NH2+]CC(F)(F)c2ccccc2C)c(O)c1OC ZINC000895447859 1024512080 /nfs/dbraw/zinc/51/20/80/1024512080.db2.gz JTPSDQULYVPVLY-UHFFFAOYSA-N 1 2 337.366 3.599 20 10 EHCDLO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@H](O)C(C)C ZINC000840884117 1027440861 /nfs/dbraw/zinc/44/08/61/1027440861.db2.gz ZIKMWCHBVWLQDE-QCZZGDTMSA-N 1 2 348.256 3.740 20 10 EHCDLO CC(C)c1nc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000271762129 1029159070 /nfs/dbraw/zinc/15/90/70/1029159070.db2.gz YXWGWNPIWHEGRI-UHFFFAOYSA-N 1 2 335.835 3.932 20 10 EHCDLO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000898218667 1033376046 /nfs/dbraw/zinc/37/60/46/1033376046.db2.gz MMBWGKYONQEZPH-GFCCVEGCSA-N 1 2 348.830 3.561 20 10 EHCDLO Cc1nc(C2([NH2+]Cc3ccc(N4CCCCC4)cc3)CCCC2)no1 ZINC000161370521 1036545111 /nfs/dbraw/zinc/54/51/11/1036545111.db2.gz NXFOPBFCCDQWNL-UHFFFAOYSA-N 1 2 340.471 3.927 20 10 EHCDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nc(Cc2ccccc2)no1 ZINC000893975271 1039909319 /nfs/dbraw/zinc/90/93/19/1039909319.db2.gz BCEYUNBUOHXWIS-HNNXBMFYSA-N 1 2 349.434 3.836 20 10 EHCDLO CCOc1ccc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c(O)c1 ZINC000765719570 1127736880 /nfs/dbraw/zinc/73/68/80/1127736880.db2.gz NIPLHQMYCNGNAJ-OAHLLOKOSA-N 1 2 346.496 3.731 20 10 EHCDLO Nc1ccc(N(c2ccccc2)c2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212362250 1127994744 /nfs/dbraw/zinc/99/47/44/1127994744.db2.gz HTBWCJBUGLFOTF-UHFFFAOYSA-N 1 2 346.434 3.970 20 10 EHCDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000738875795 1131489966 /nfs/dbraw/zinc/48/99/66/1131489966.db2.gz CXMUIKWUAZFVIZ-MRXNPFEDSA-N 1 2 332.488 3.839 20 10 EHCDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000738875795 1131489967 /nfs/dbraw/zinc/48/99/67/1131489967.db2.gz CXMUIKWUAZFVIZ-MRXNPFEDSA-N 1 2 332.488 3.839 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000768526220 1133149552 /nfs/dbraw/zinc/14/95/52/1133149552.db2.gz MQMQZTONTYACGC-UHFFFAOYSA-N 1 2 335.806 3.668 20 10 EHCDLO C[C@@](O)(C1CC[NH+](Cc2cccc(Cl)c2O)CC1)C(F)(F)F ZINC000768533258 1133151024 /nfs/dbraw/zinc/15/10/24/1133151024.db2.gz PYGLTNGSGBAIFO-CQSZACIVSA-N 1 2 337.769 3.571 20 10 EHCDLO CCOc1ccc2c(c1)C[N@@H+](Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC001179988851 1133310958 /nfs/dbraw/zinc/31/09/58/1133310958.db2.gz IKRGBJHBJZZARP-UHFFFAOYSA-N 1 2 346.421 3.988 20 10 EHCDLO CCOc1ccc2c(c1)C[N@H+](Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC001179988851 1133310962 /nfs/dbraw/zinc/31/09/62/1133310962.db2.gz IKRGBJHBJZZARP-UHFFFAOYSA-N 1 2 346.421 3.988 20 10 EHCDLO CN(C)c1ccc(C[N@H+](C)Cc2cc(O)ccc2Br)cc1 ZINC000771935177 1133616818 /nfs/dbraw/zinc/61/68/18/1133616818.db2.gz MTOKMUAPMCKWLW-UHFFFAOYSA-N 1 2 349.272 3.853 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2cc(O)ccc2Br)cc1 ZINC000771935177 1133616820 /nfs/dbraw/zinc/61/68/20/1133616820.db2.gz MTOKMUAPMCKWLW-UHFFFAOYSA-N 1 2 349.272 3.853 20 10 EHCDLO CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000775151575 1134396603 /nfs/dbraw/zinc/39/66/03/1134396603.db2.gz IONJMGYCLXPKCD-WCQYABFASA-N 1 2 330.291 3.774 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000790634305 1134444121 /nfs/dbraw/zinc/44/41/21/1134444121.db2.gz FMOKSUYOSSPIBF-UHFFFAOYSA-N 1 2 345.805 3.719 20 10 EHCDLO CO[C@H](C)c1nc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cs1 ZINC000790972917 1134494170 /nfs/dbraw/zinc/49/41/70/1134494170.db2.gz KNFSZAKEJJYMHS-MRVPVSSYSA-N 1 2 330.812 3.638 20 10 EHCDLO Cc1ccc(CCC[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000793185647 1134871003 /nfs/dbraw/zinc/87/10/03/1134871003.db2.gz KOZUQFOGWPPMEH-UHFFFAOYSA-N 1 2 335.245 3.581 20 10 EHCDLO CC[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccccc1O ZINC000775545723 1135054614 /nfs/dbraw/zinc/05/46/14/1135054614.db2.gz FGIGJGVFEPYOOF-RVKKMQEKSA-N 1 2 341.455 3.964 20 10 EHCDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000775643525 1135385516 /nfs/dbraw/zinc/38/55/16/1135385516.db2.gz QFEDEDOSYOUENA-UHFFFAOYSA-N 1 2 332.831 3.679 20 10 EHCDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000775643525 1135385522 /nfs/dbraw/zinc/38/55/22/1135385522.db2.gz QFEDEDOSYOUENA-UHFFFAOYSA-N 1 2 332.831 3.679 20 10 EHCDLO CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cccc(Cl)c1O ZINC000806129795 1135396304 /nfs/dbraw/zinc/39/63/04/1135396304.db2.gz JZARGSXXHIRIAL-HNNXBMFYSA-N 1 2 333.819 3.777 20 10 EHCDLO COc1cc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)ccc1O ZINC000775647895 1135398031 /nfs/dbraw/zinc/39/80/31/1135398031.db2.gz GUHTYWWURQWJNO-UHFFFAOYSA-N 1 2 325.767 3.531 20 10 EHCDLO COc1cc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)ccc1O ZINC000775647895 1135398035 /nfs/dbraw/zinc/39/80/35/1135398035.db2.gz GUHTYWWURQWJNO-UHFFFAOYSA-N 1 2 325.767 3.531 20 10 EHCDLO CC[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cccc(Cl)c1O ZINC000806140947 1135399131 /nfs/dbraw/zinc/39/91/31/1135399131.db2.gz OEMFFJPHORPJKB-KRWDZBQOSA-N 1 2 331.843 3.616 20 10 EHCDLO CC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc(Cl)c1O ZINC000806143093 1135399839 /nfs/dbraw/zinc/39/98/39/1135399839.db2.gz SZGPEVCISQQNTC-MRXNPFEDSA-N 1 2 338.879 3.877 20 10 EHCDLO CC[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cccc(Cl)c1O ZINC000806158795 1135404034 /nfs/dbraw/zinc/40/40/34/1135404034.db2.gz RNWFNTRSRXUWRX-QGZVFWFLSA-N 1 2 344.842 3.572 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1cccc(Cl)c1O ZINC000806161519 1135404923 /nfs/dbraw/zinc/40/49/23/1135404923.db2.gz QYUKQIPKPDJIJB-CRAIPNDOSA-N 1 2 333.859 3.998 20 10 EHCDLO CC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000775695324 1135531496 /nfs/dbraw/zinc/53/14/96/1135531496.db2.gz LCMINWFHAYELKJ-QGZVFWFLSA-N 1 2 344.842 3.673 20 10 EHCDLO CC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000775695324 1135531500 /nfs/dbraw/zinc/53/15/00/1135531500.db2.gz LCMINWFHAYELKJ-QGZVFWFLSA-N 1 2 344.842 3.673 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000775715203 1135558309 /nfs/dbraw/zinc/55/83/09/1135558309.db2.gz DPWIVSIXXNWARJ-UHFFFAOYSA-N 1 2 331.778 3.660 20 10 EHCDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775725333 1135579020 /nfs/dbraw/zinc/57/90/20/1135579020.db2.gz LFGDJXPPRBGDSR-QFIPXVFZSA-N 1 2 341.835 3.554 20 10 EHCDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775725333 1135579024 /nfs/dbraw/zinc/57/90/24/1135579024.db2.gz LFGDJXPPRBGDSR-QFIPXVFZSA-N 1 2 341.835 3.554 20 10 EHCDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775725331 1135579661 /nfs/dbraw/zinc/57/96/61/1135579661.db2.gz LFGDJXPPRBGDSR-JOCHJYFZSA-N 1 2 341.835 3.554 20 10 EHCDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775725331 1135579666 /nfs/dbraw/zinc/57/96/66/1135579666.db2.gz LFGDJXPPRBGDSR-JOCHJYFZSA-N 1 2 341.835 3.554 20 10 EHCDLO COCCCOc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000809689793 1135867249 /nfs/dbraw/zinc/86/72/49/1135867249.db2.gz UOZIRGBEVSFYFK-UHFFFAOYSA-N 1 2 335.831 3.751 20 10 EHCDLO Clc1cccc2c1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000809771761 1135880715 /nfs/dbraw/zinc/88/07/15/1135880715.db2.gz OEHMEYHTZYVZJG-UHFFFAOYSA-N 1 2 328.843 3.692 20 10 EHCDLO Clc1cccc2c1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000809771761 1135880720 /nfs/dbraw/zinc/88/07/20/1135880720.db2.gz OEHMEYHTZYVZJG-UHFFFAOYSA-N 1 2 328.843 3.692 20 10 EHCDLO CCN(CC)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)Cc1ccccc1 ZINC001199189362 1135885502 /nfs/dbraw/zinc/88/55/02/1135885502.db2.gz LBRUBSYTISEOPF-GOSISDBHSA-N 1 2 348.437 3.713 20 10 EHCDLO CCC[N@H+](CC)C[C@H](C)NCc1cc(C)cc(Br)c1O ZINC000810180703 1135935257 /nfs/dbraw/zinc/93/52/57/1135935257.db2.gz HYAWFBPLXUWUAT-ZDUSSCGKSA-N 1 2 343.309 3.673 20 10 EHCDLO CCC[N@@H+](CC)C[C@H](C)NCc1cc(C)cc(Br)c1O ZINC000810180703 1135935260 /nfs/dbraw/zinc/93/52/60/1135935260.db2.gz HYAWFBPLXUWUAT-ZDUSSCGKSA-N 1 2 343.309 3.673 20 10 EHCDLO Oc1c(Br)cccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000776036599 1135937263 /nfs/dbraw/zinc/93/72/63/1135937263.db2.gz NXVFHBOGFQEUEM-UHFFFAOYSA-N 1 2 348.244 3.762 20 10 EHCDLO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001200911284 1135964620 /nfs/dbraw/zinc/96/46/20/1135964620.db2.gz NYFWHXDDJVECFL-UHFFFAOYSA-N 1 2 346.830 3.578 20 10 EHCDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cs1 ZINC000776232465 1136087084 /nfs/dbraw/zinc/08/70/84/1136087084.db2.gz YIJYAINLAIEMMD-QMMMGPOBSA-N 1 2 330.812 3.638 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000776255807 1136111072 /nfs/dbraw/zinc/11/10/72/1136111072.db2.gz JAMLOYCGTNVTSN-DYEKYZERSA-N 1 2 333.881 3.654 20 10 EHCDLO Cc1cc(Cl)cc(CNc2ccccc2C[NH+]2CCOCC2)c1O ZINC000823536995 1137103667 /nfs/dbraw/zinc/10/36/67/1137103667.db2.gz DDJXJTGXNZSPJP-UHFFFAOYSA-N 1 2 346.858 3.798 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824695942 1137148810 /nfs/dbraw/zinc/14/88/10/1137148810.db2.gz FEOBNIAEQCAEFU-BMFZPTHFSA-N 1 2 327.827 3.700 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824695942 1137148812 /nfs/dbraw/zinc/14/88/12/1137148812.db2.gz FEOBNIAEQCAEFU-BMFZPTHFSA-N 1 2 327.827 3.700 20 10 EHCDLO C[C@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CCC1(F)F ZINC001144299213 1137268599 /nfs/dbraw/zinc/26/85/99/1137268599.db2.gz RPOLOMVFJKNSBX-QMMMGPOBSA-N 1 2 338.167 3.771 20 10 EHCDLO C[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CCC1(F)F ZINC001144299213 1137268601 /nfs/dbraw/zinc/26/86/01/1137268601.db2.gz RPOLOMVFJKNSBX-QMMMGPOBSA-N 1 2 338.167 3.771 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001144306999 1137270783 /nfs/dbraw/zinc/27/07/83/1137270783.db2.gz ZVQPOARTIJINFC-LBPRGKRZSA-N 1 2 336.151 3.525 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[NH+]1CC(c2ccccc2)C1 ZINC001144306990 1137270800 /nfs/dbraw/zinc/27/08/00/1137270800.db2.gz ZNGGPYSXEYFODF-UHFFFAOYSA-N 1 2 336.204 3.893 20 10 EHCDLO C[C@@H](O)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1F ZINC000846015545 1137326096 /nfs/dbraw/zinc/32/60/96/1137326096.db2.gz YGSHKNKPWCVSOX-JDNHERCYSA-N 1 2 327.758 3.536 20 10 EHCDLO C[C@]1(CC[NH2+]Cc2cccc(Br)c2O)C[C@]1(F)Cl ZINC000846039065 1137329079 /nfs/dbraw/zinc/32/90/79/1137329079.db2.gz SRXADHXDSYCTGF-QWHCGFSZSA-N 1 2 336.632 3.949 20 10 EHCDLO CCn1cc(C[N@H+](Cc2c(O)ccc(Cl)c2F)C(C)C)cn1 ZINC000846055298 1137331399 /nfs/dbraw/zinc/33/13/99/1137331399.db2.gz KWWJBKYIDXZYEM-UHFFFAOYSA-N 1 2 325.815 3.812 20 10 EHCDLO CCn1cc(C[N@@H+](Cc2c(O)ccc(Cl)c2F)C(C)C)cn1 ZINC000846055298 1137331401 /nfs/dbraw/zinc/33/14/01/1137331401.db2.gz KWWJBKYIDXZYEM-UHFFFAOYSA-N 1 2 325.815 3.812 20 10 EHCDLO COc1cccc([C@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)c1O ZINC000846162626 1137337081 /nfs/dbraw/zinc/33/70/81/1137337081.db2.gz MGPHADSWPQUPEO-AWEZNQCLSA-N 1 2 327.428 3.959 20 10 EHCDLO C[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000846203544 1137341575 /nfs/dbraw/zinc/34/15/75/1137341575.db2.gz HXCSGDHRAPMNTI-NXEZZACHSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1cc(F)cc(F)c1O ZINC000866641955 1137371842 /nfs/dbraw/zinc/37/18/42/1137371842.db2.gz YJPSCZALMSOYHV-SNVBAGLBSA-N 1 2 334.366 3.501 20 10 EHCDLO CC1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC(F)(F)C1 ZINC000715793493 1137478083 /nfs/dbraw/zinc/47/80/83/1137478083.db2.gz WDETUNXNXMGRLG-UHFFFAOYSA-N 1 2 338.167 3.819 20 10 EHCDLO O=C(c1ccccc1)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876557305 1137655439 /nfs/dbraw/zinc/65/54/39/1137655439.db2.gz DKZVHAMMLRIISF-UHFFFAOYSA-N 1 2 331.362 3.765 20 10 EHCDLO Oc1c(C[NH2+]Cc2cccnc2OC2CCCC2)ccc(F)c1F ZINC000876931420 1137665577 /nfs/dbraw/zinc/66/55/77/1137665577.db2.gz XGDSPVFGKHNRHJ-UHFFFAOYSA-N 1 2 334.366 3.677 20 10 EHCDLO OC1CCN(c2ccc(C[NH2+]CC(F)(F)c3ccccc3)cc2)CC1 ZINC000877469234 1137677252 /nfs/dbraw/zinc/67/72/52/1137677252.db2.gz SEABNDASVXWXER-UHFFFAOYSA-N 1 2 346.421 3.529 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2nc(C(=O)OC)co2)cc1 ZINC000877923052 1137695908 /nfs/dbraw/zinc/69/59/08/1137695908.db2.gz ZDSIFPIJXXHQET-CQSZACIVSA-N 1 2 345.443 3.500 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)c2nc(C(=O)OC)co2)cc1 ZINC000877923052 1137695909 /nfs/dbraw/zinc/69/59/09/1137695909.db2.gz ZDSIFPIJXXHQET-CQSZACIVSA-N 1 2 345.443 3.500 20 10 EHCDLO CC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccncc1 ZINC000883016541 1137841689 /nfs/dbraw/zinc/84/16/89/1137841689.db2.gz CSLMBYTZRYRVKG-AWEZNQCLSA-N 1 2 339.208 3.930 20 10 EHCDLO Cc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc(C2CC2)[nH+]1 ZINC000265286255 1138796131 /nfs/dbraw/zinc/79/61/31/1138796131.db2.gz AREASWLNDKRCAU-UHFFFAOYSA-N 1 2 331.423 3.832 20 10 EHCDLO CC[N@H+](Cc1cscn1)Cc1cc(Br)ccc1O ZINC000174424614 1139419349 /nfs/dbraw/zinc/41/93/49/1139419349.db2.gz DMCVOHYRWUEMSS-UHFFFAOYSA-N 1 2 327.247 3.633 20 10 EHCDLO CC[N@@H+](Cc1cscn1)Cc1cc(Br)ccc1O ZINC000174424614 1139419352 /nfs/dbraw/zinc/41/93/52/1139419352.db2.gz DMCVOHYRWUEMSS-UHFFFAOYSA-N 1 2 327.247 3.633 20 10 EHCDLO c1c[nH]c([C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc2)n1 ZINC000187761470 1140269901 /nfs/dbraw/zinc/26/99/01/1140269901.db2.gz YATOYKXUZNCFAO-FQEVSTJZSA-N 1 2 332.451 3.889 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000273811632 1141424389 /nfs/dbraw/zinc/42/43/89/1141424389.db2.gz YYVVFJIEUIOPKC-UHFFFAOYSA-N 1 2 331.843 3.966 20 10 EHCDLO Cc1cn2cc(NC(=O)NCc3c(C)c4ccccc4n3C)ccc2[nH+]1 ZINC000348784991 1141579113 /nfs/dbraw/zinc/57/91/13/1141579113.db2.gz BKNSLGWDMBJVDK-UHFFFAOYSA-N 1 2 347.422 3.765 20 10 EHCDLO CC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(OC)cc1 ZINC000274825057 1015439715 /nfs/dbraw/zinc/43/97/15/1015439715.db2.gz ZHSOUUHDWXCSMH-UHFFFAOYSA-N 1 2 332.488 3.806 20 10 EHCDLO CC[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(OC)cc1 ZINC000274825057 1015439723 /nfs/dbraw/zinc/43/97/23/1015439723.db2.gz ZHSOUUHDWXCSMH-UHFFFAOYSA-N 1 2 332.488 3.806 20 10 EHCDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000748094224 1016214731 /nfs/dbraw/zinc/21/47/31/1016214731.db2.gz NAAXIUNXAHKOFL-CYBMUJFWSA-N 1 2 333.432 3.546 20 10 EHCDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000748094224 1016214739 /nfs/dbraw/zinc/21/47/39/1016214739.db2.gz NAAXIUNXAHKOFL-CYBMUJFWSA-N 1 2 333.432 3.546 20 10 EHCDLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000183381559 1032165060 /nfs/dbraw/zinc/16/50/60/1032165060.db2.gz GDLHTQZIWXJLBY-ZDUSSCGKSA-N 1 2 342.830 3.819 20 10 EHCDLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000183381559 1032165080 /nfs/dbraw/zinc/16/50/80/1032165080.db2.gz GDLHTQZIWXJLBY-ZDUSSCGKSA-N 1 2 342.830 3.819 20 10 EHCDLO CC[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc(Cl)c1O ZINC000376831848 1017138151 /nfs/dbraw/zinc/13/81/51/1017138151.db2.gz BOILMJJLUGPUKY-INIZCTEOSA-N 1 2 333.863 3.862 20 10 EHCDLO CN(C)c1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc1F ZINC000892737283 1017274228 /nfs/dbraw/zinc/27/42/28/1017274228.db2.gz AFYQCABKPAFDOZ-UHFFFAOYSA-N 1 2 333.354 3.657 20 10 EHCDLO Cc1[nH+]cc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc1N ZINC001210289666 1017755829 /nfs/dbraw/zinc/75/58/29/1017755829.db2.gz XEEZSMDDDVZCCR-UHFFFAOYSA-N 1 2 334.379 3.517 20 10 EHCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)no1 ZINC000290108505 1021933509 /nfs/dbraw/zinc/93/35/09/1021933509.db2.gz ILYQVSTVCJJXAY-QWHCGFSZSA-N 1 2 345.443 3.602 20 10 EHCDLO Oc1cc(F)c(F)cc1C[N@H+](Cc1cccnc1)Cc1ccccn1 ZINC001142520131 1033188838 /nfs/dbraw/zinc/18/88/38/1033188838.db2.gz BZBUWFZZTAOXQM-UHFFFAOYSA-N 1 2 341.361 3.663 20 10 EHCDLO Oc1cc(F)c(F)cc1C[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001142520131 1033188849 /nfs/dbraw/zinc/18/88/49/1033188849.db2.gz BZBUWFZZTAOXQM-UHFFFAOYSA-N 1 2 341.361 3.663 20 10 EHCDLO CN(C(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1)c1ccccc1 ZINC000281072557 1024275302 /nfs/dbraw/zinc/27/53/02/1024275302.db2.gz INRRCEVXGYRYNX-OAHLLOKOSA-N 1 2 344.842 3.531 20 10 EHCDLO CN(C(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1)c1ccccc1 ZINC000281072557 1024275313 /nfs/dbraw/zinc/27/53/13/1024275313.db2.gz INRRCEVXGYRYNX-OAHLLOKOSA-N 1 2 344.842 3.531 20 10 EHCDLO C[N@@H+](Cc1cc(F)c(F)cc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142527403 1033273835 /nfs/dbraw/zinc/27/38/35/1033273835.db2.gz TXSWTLVPDPYXDM-INIZCTEOSA-N 1 2 346.421 3.624 20 10 EHCDLO C[N@H+](Cc1cc(F)c(F)cc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142527403 1033273848 /nfs/dbraw/zinc/27/38/48/1033273848.db2.gz TXSWTLVPDPYXDM-INIZCTEOSA-N 1 2 346.421 3.624 20 10 EHCDLO C[NH+](Cc1cc(F)c(F)cc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142527403 1033273861 /nfs/dbraw/zinc/27/38/61/1033273861.db2.gz TXSWTLVPDPYXDM-INIZCTEOSA-N 1 2 346.421 3.624 20 10 EHCDLO C[NH+](Cc1cc(F)c(F)cc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142527403 1033273873 /nfs/dbraw/zinc/27/38/73/1033273873.db2.gz TXSWTLVPDPYXDM-INIZCTEOSA-N 1 2 346.421 3.624 20 10 EHCDLO C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142527403 1033273881 /nfs/dbraw/zinc/27/38/81/1033273881.db2.gz TXSWTLVPDPYXDM-INIZCTEOSA-N 1 2 346.421 3.624 20 10 EHCDLO C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142527403 1033273899 /nfs/dbraw/zinc/27/38/99/1033273899.db2.gz TXSWTLVPDPYXDM-INIZCTEOSA-N 1 2 346.421 3.624 20 10 EHCDLO C[NH+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142527403 1033273908 /nfs/dbraw/zinc/27/39/08/1033273908.db2.gz TXSWTLVPDPYXDM-INIZCTEOSA-N 1 2 346.421 3.624 20 10 EHCDLO C[NH+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142527403 1033273921 /nfs/dbraw/zinc/27/39/21/1033273921.db2.gz TXSWTLVPDPYXDM-INIZCTEOSA-N 1 2 346.421 3.624 20 10 EHCDLO CCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708147350 1028203721 /nfs/dbraw/zinc/20/37/21/1028203721.db2.gz YWQLOAUURGMGTJ-LBPRGKRZSA-N 1 2 348.668 3.809 20 10 EHCDLO CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708147350 1028203736 /nfs/dbraw/zinc/20/37/36/1028203736.db2.gz YWQLOAUURGMGTJ-LBPRGKRZSA-N 1 2 348.668 3.809 20 10 EHCDLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1F)c1ccccc1O ZINC000360012804 1030714910 /nfs/dbraw/zinc/71/49/10/1030714910.db2.gz DDTWXXBCAGDOBJ-ACJLOTCBSA-N 1 2 325.387 3.705 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000898219860 1033376083 /nfs/dbraw/zinc/37/60/83/1033376083.db2.gz OFEPXPKGCYCVNI-QGZVFWFLSA-N 1 2 347.842 3.893 20 10 EHCDLO CCc1nc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2O)cs1 ZINC000761195159 1034398012 /nfs/dbraw/zinc/39/80/12/1034398012.db2.gz HUORGZOUYJVJLG-UHFFFAOYSA-N 1 2 326.849 3.705 20 10 EHCDLO CCc1nc(C[N@@H+](C)Cc2cc(Cl)cc(OC)c2O)cs1 ZINC000761195159 1034398022 /nfs/dbraw/zinc/39/80/22/1034398022.db2.gz HUORGZOUYJVJLG-UHFFFAOYSA-N 1 2 326.849 3.705 20 10 EHCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001233032237 1036282105 /nfs/dbraw/zinc/28/21/05/1036282105.db2.gz WZKWHDSNVGSMIE-GFCCVEGCSA-N 1 2 336.151 3.525 20 10 EHCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001233032237 1036282123 /nfs/dbraw/zinc/28/21/23/1036282123.db2.gz WZKWHDSNVGSMIE-GFCCVEGCSA-N 1 2 336.151 3.525 20 10 EHCDLO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cn(-c2ccccc2)nn1 ZINC000191332724 1036368122 /nfs/dbraw/zinc/36/81/22/1036368122.db2.gz NHYPGTNTWYBEJC-NSHDSACASA-N 1 2 346.793 3.616 20 10 EHCDLO CC(C)[C@H](C[NH2+]Cc1cccc(Cl)c1O)NC(=O)OC(C)(C)C ZINC000224811925 1037187985 /nfs/dbraw/zinc/18/79/85/1037187985.db2.gz QHSZZNNYDDFKEE-AWEZNQCLSA-N 1 2 342.867 3.685 20 10 EHCDLO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(Br)c(F)cc1O ZINC000756731884 1042166475 /nfs/dbraw/zinc/16/64/75/1042166475.db2.gz DACSAVPVWGYRRH-VHSXEESVSA-N 1 2 348.256 3.742 20 10 EHCDLO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc([S@](C)=O)cc1 ZINC000756770448 1042354027 /nfs/dbraw/zinc/35/40/27/1042354027.db2.gz XAYMWIMLMQCJPM-LYSPQLLHSA-N 1 2 339.407 3.820 20 10 EHCDLO C[N@H+](Cc1nnc(C2CC2)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000125683690 1042543878 /nfs/dbraw/zinc/54/38/78/1042543878.db2.gz ZYDXPHZYOVBJEV-UHFFFAOYSA-N 1 2 326.444 3.569 20 10 EHCDLO C[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000125683690 1042543881 /nfs/dbraw/zinc/54/38/81/1042543881.db2.gz ZYDXPHZYOVBJEV-UHFFFAOYSA-N 1 2 326.444 3.569 20 10 EHCDLO Cc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(C2CC2)[nH+]1 ZINC000734834916 1131284358 /nfs/dbraw/zinc/28/43/58/1131284358.db2.gz MJQRUIXYQMQIFU-OAHLLOKOSA-N 1 2 338.455 3.672 20 10 EHCDLO CCN(CC)c1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000731976350 1130871698 /nfs/dbraw/zinc/87/16/98/1130871698.db2.gz BGOIXCYWDACUSF-UHFFFAOYSA-N 1 2 339.487 3.925 20 10 EHCDLO CCN(CC)c1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000731976350 1130871708 /nfs/dbraw/zinc/87/17/08/1130871708.db2.gz BGOIXCYWDACUSF-UHFFFAOYSA-N 1 2 339.487 3.925 20 10 EHCDLO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768257133 1133118011 /nfs/dbraw/zinc/11/80/11/1133118011.db2.gz HQZUVIUCWIHVAD-UHFFFAOYSA-N 1 2 346.906 3.867 20 10 EHCDLO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768257133 1133118012 /nfs/dbraw/zinc/11/80/12/1133118012.db2.gz HQZUVIUCWIHVAD-UHFFFAOYSA-N 1 2 346.906 3.867 20 10 EHCDLO COc1cccc(O)c1C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000768769072 1133175281 /nfs/dbraw/zinc/17/52/81/1133175281.db2.gz QILLTGCKGOMYKH-UHFFFAOYSA-N 1 2 326.371 3.580 20 10 EHCDLO COc1cccc(O)c1C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000768769072 1133175285 /nfs/dbraw/zinc/17/52/85/1133175285.db2.gz QILLTGCKGOMYKH-UHFFFAOYSA-N 1 2 326.371 3.580 20 10 EHCDLO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000769466326 1133296427 /nfs/dbraw/zinc/29/64/27/1133296427.db2.gz LLWZOTBEZVLQKN-QGZVFWFLSA-N 1 2 337.341 3.822 20 10 EHCDLO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000769466326 1133296430 /nfs/dbraw/zinc/29/64/30/1133296430.db2.gz LLWZOTBEZVLQKN-QGZVFWFLSA-N 1 2 337.341 3.822 20 10 EHCDLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(F)c2O)C12CCC2 ZINC001180133220 1133329180 /nfs/dbraw/zinc/32/91/80/1133329180.db2.gz RZZQZICNDHBHOU-CABCVRRESA-N 1 2 327.827 3.964 20 10 EHCDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2O)C12CCC2 ZINC001180133220 1133329185 /nfs/dbraw/zinc/32/91/85/1133329185.db2.gz RZZQZICNDHBHOU-CABCVRRESA-N 1 2 327.827 3.964 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770664299 1133455713 /nfs/dbraw/zinc/45/57/13/1133455713.db2.gz FVFGOXOBBIQEET-GOSISDBHSA-N 1 2 333.790 3.816 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770664299 1133455716 /nfs/dbraw/zinc/45/57/16/1133455716.db2.gz FVFGOXOBBIQEET-GOSISDBHSA-N 1 2 333.790 3.816 20 10 EHCDLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000774087329 1133606481 /nfs/dbraw/zinc/60/64/81/1133606481.db2.gz BOVWNHZZGRVYSB-INIZCTEOSA-N 1 2 349.434 3.756 20 10 EHCDLO COc1c(O)c(C[N@H+](C)Cc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000774823189 1134033460 /nfs/dbraw/zinc/03/34/60/1134033460.db2.gz PWKCDXJZDNGFQT-UHFFFAOYSA-N 1 2 336.775 3.594 20 10 EHCDLO COc1c(O)c(C[N@@H+](C)Cc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000774823189 1134033468 /nfs/dbraw/zinc/03/34/68/1134033468.db2.gz PWKCDXJZDNGFQT-UHFFFAOYSA-N 1 2 336.775 3.594 20 10 EHCDLO C[C@@H](O)c1ncc(C[N@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000787769225 1134038333 /nfs/dbraw/zinc/03/83/33/1134038333.db2.gz CKMYDAPCXNXVLJ-CYBMUJFWSA-N 1 2 344.436 3.697 20 10 EHCDLO C[C@@H](O)c1ncc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000787769225 1134038339 /nfs/dbraw/zinc/03/83/39/1134038339.db2.gz CKMYDAPCXNXVLJ-CYBMUJFWSA-N 1 2 344.436 3.697 20 10 EHCDLO CC(C)(C)c1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000788019604 1134064296 /nfs/dbraw/zinc/06/42/96/1134064296.db2.gz LXURBNNOLTZFBW-KRWDZBQOSA-N 1 2 344.455 3.859 20 10 EHCDLO CC(C)(C)c1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000788019604 1134064301 /nfs/dbraw/zinc/06/43/01/1134064301.db2.gz LXURBNNOLTZFBW-KRWDZBQOSA-N 1 2 344.455 3.859 20 10 EHCDLO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000789584097 1134298956 /nfs/dbraw/zinc/29/89/56/1134298956.db2.gz CTKAKWPBWNOYBM-INIZCTEOSA-N 1 2 337.822 3.874 20 10 EHCDLO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000789584097 1134298960 /nfs/dbraw/zinc/29/89/60/1134298960.db2.gz CTKAKWPBWNOYBM-INIZCTEOSA-N 1 2 337.822 3.874 20 10 EHCDLO Cc1ccc(O)c(CNc2[nH]c3ccc(Br)cc3[nH+]2)c1 ZINC000775172875 1134475541 /nfs/dbraw/zinc/47/55/41/1134475541.db2.gz PCEOUHQFPWXAJD-UHFFFAOYSA-N 1 2 332.201 3.952 20 10 EHCDLO Cc1ccc(O)c(CNc2[nH]c3cc(Br)ccc3[nH+]2)c1 ZINC000775172875 1134475544 /nfs/dbraw/zinc/47/55/44/1134475544.db2.gz PCEOUHQFPWXAJD-UHFFFAOYSA-N 1 2 332.201 3.952 20 10 EHCDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792180778 1134664454 /nfs/dbraw/zinc/66/44/54/1134664454.db2.gz UHOXIGLAECJQJZ-ZDUSSCGKSA-N 1 2 341.732 3.728 20 10 EHCDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792180778 1134664456 /nfs/dbraw/zinc/66/44/56/1134664456.db2.gz UHOXIGLAECJQJZ-ZDUSSCGKSA-N 1 2 341.732 3.728 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC001190713155 1134737160 /nfs/dbraw/zinc/73/71/60/1134737160.db2.gz HMHLGHGATXEVMC-UHFFFAOYSA-N 1 2 330.472 3.513 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC001190713155 1134737167 /nfs/dbraw/zinc/73/71/67/1134737167.db2.gz HMHLGHGATXEVMC-UHFFFAOYSA-N 1 2 330.472 3.513 20 10 EHCDLO CC[NH+](CC)c1ccc(C)c(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170321316 1134747609 /nfs/dbraw/zinc/74/76/09/1134747609.db2.gz ZRKZXNFFKZBPNM-UHFFFAOYSA-N 1 2 328.412 3.547 20 10 EHCDLO CC[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000806142121 1135399993 /nfs/dbraw/zinc/39/99/93/1135399993.db2.gz YQNLDANYOBKCGU-CJNGLKHVSA-N 1 2 327.852 3.530 20 10 EHCDLO CC[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc(Cl)c1O ZINC000806159748 1135404050 /nfs/dbraw/zinc/40/40/50/1135404050.db2.gz LVSYYTVXVZMHGK-AWEZNQCLSA-N 1 2 337.876 3.631 20 10 EHCDLO CC[C@@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1cccc(Cl)c1O ZINC000806161520 1135404974 /nfs/dbraw/zinc/40/49/74/1135404974.db2.gz QYUKQIPKPDJIJB-MAUKXSAKSA-N 1 2 333.859 3.998 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1O ZINC000775870836 1135833582 /nfs/dbraw/zinc/83/35/82/1135833582.db2.gz GWOOCXQFBAUKQJ-UHFFFAOYSA-N 1 2 325.383 3.781 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1O ZINC000775870836 1135833587 /nfs/dbraw/zinc/83/35/87/1135833587.db2.gz GWOOCXQFBAUKQJ-UHFFFAOYSA-N 1 2 325.383 3.781 20 10 EHCDLO c1[nH]nc2c1CC[N@@H+](Cc1ccc3c(c1)CCN3Cc1ccccc1)C2 ZINC000809580098 1135853735 /nfs/dbraw/zinc/85/37/35/1135853735.db2.gz FKSAUHLVYZUTQA-UHFFFAOYSA-N 1 2 344.462 3.531 20 10 EHCDLO c1[nH]nc2c1CC[N@H+](Cc1ccc3c(c1)CCN3Cc1ccccc1)C2 ZINC000809580098 1135853738 /nfs/dbraw/zinc/85/37/38/1135853738.db2.gz FKSAUHLVYZUTQA-UHFFFAOYSA-N 1 2 344.462 3.531 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCOC1CCCC1 ZINC001199883166 1135936488 /nfs/dbraw/zinc/93/64/88/1135936488.db2.gz GTZSTVIHUULQPI-UHFFFAOYSA-N 1 2 346.240 3.733 20 10 EHCDLO CCS(=O)(=O)c1ccc(O)c(Nc2ccc([NH2+]C(C)C)cc2)c1 ZINC001201498390 1136028943 /nfs/dbraw/zinc/02/89/43/1136028943.db2.gz WWGTYLUGDKAGCO-UHFFFAOYSA-N 1 2 334.441 3.750 20 10 EHCDLO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(Br)cc(F)c1O ZINC000850535219 1136280865 /nfs/dbraw/zinc/28/08/65/1136280865.db2.gz SRRARLVQXNIEAT-JFGNBEQYSA-N 1 2 346.240 3.902 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)Cc2ccccc2O1 ZINC000814177896 1136411327 /nfs/dbraw/zinc/41/13/27/1136411327.db2.gz TYWRWPGNHYPKHU-GFCCVEGCSA-N 1 2 348.240 3.938 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)Cc2ccccc2O1 ZINC000814177896 1136411331 /nfs/dbraw/zinc/41/13/31/1136411331.db2.gz TYWRWPGNHYPKHU-GFCCVEGCSA-N 1 2 348.240 3.938 20 10 EHCDLO Cc1cc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)ccc1N(C)C ZINC000815045402 1136539929 /nfs/dbraw/zinc/53/99/29/1136539929.db2.gz RVPPZYRGDUXXFJ-UHFFFAOYSA-N 1 2 334.467 3.987 20 10 EHCDLO Cc1cc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)ccc1N(C)C ZINC000815045402 1136539930 /nfs/dbraw/zinc/53/99/30/1136539930.db2.gz RVPPZYRGDUXXFJ-UHFFFAOYSA-N 1 2 334.467 3.987 20 10 EHCDLO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)n[nH]1 ZINC000815597049 1136616937 /nfs/dbraw/zinc/61/69/37/1136616937.db2.gz LJFLUYZPNSMSDG-GXSJLCMTSA-N 1 2 327.350 3.724 20 10 EHCDLO Oc1cc(F)c(Cl)cc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000816482335 1136722869 /nfs/dbraw/zinc/72/28/69/1136722869.db2.gz BVJHZYMOJFVEAT-UHFFFAOYSA-N 1 2 340.851 3.564 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000816514587 1136729207 /nfs/dbraw/zinc/72/92/07/1136729207.db2.gz BRWWQXOSFGVFOV-IBGZPJMESA-N 1 2 347.817 3.859 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000816514587 1136729209 /nfs/dbraw/zinc/72/92/09/1136729209.db2.gz BRWWQXOSFGVFOV-IBGZPJMESA-N 1 2 347.817 3.859 20 10 EHCDLO OCC1(c2ccccc2)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000816624895 1136739381 /nfs/dbraw/zinc/73/93/81/1136739381.db2.gz KOVVIEYIZBQIIJ-UHFFFAOYSA-N 1 2 349.833 3.711 20 10 EHCDLO CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000817954566 1136850876 /nfs/dbraw/zinc/85/08/76/1136850876.db2.gz YWWBLVQOAUBDOV-UGSOOPFHSA-N 1 2 343.427 3.774 20 10 EHCDLO Oc1cccc(Br)c1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000862363955 1137140260 /nfs/dbraw/zinc/14/02/60/1137140260.db2.gz XXFCENKGUMJBDI-AWEZNQCLSA-N 1 2 336.233 3.605 20 10 EHCDLO Oc1cccc(Br)c1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000862363955 1137140262 /nfs/dbraw/zinc/14/02/62/1137140262.db2.gz XXFCENKGUMJBDI-AWEZNQCLSA-N 1 2 336.233 3.605 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000824521161 1137141175 /nfs/dbraw/zinc/14/11/75/1137141175.db2.gz GZFLKMRUSBTAAP-UHFFFAOYSA-N 1 2 327.827 3.702 20 10 EHCDLO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824554638 1137142710 /nfs/dbraw/zinc/14/27/10/1137142710.db2.gz JJCZOSTUNBEKDH-JTQLQIEISA-N 1 2 329.721 3.632 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824695945 1137148853 /nfs/dbraw/zinc/14/88/53/1137148853.db2.gz FEOBNIAEQCAEFU-NUEKZKHPSA-N 1 2 327.827 3.700 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824695945 1137148855 /nfs/dbraw/zinc/14/88/55/1137148855.db2.gz FEOBNIAEQCAEFU-NUEKZKHPSA-N 1 2 327.827 3.700 20 10 EHCDLO COc1c(O)c(C[NH+]2CC(c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000824987949 1137161343 /nfs/dbraw/zinc/16/13/43/1137161343.db2.gz FCKQARQIKFPOGA-UHFFFAOYSA-N 1 2 348.786 3.562 20 10 EHCDLO CC[N@H+](Cc1n[nH]c2ccc(F)cc21)Cc1ccc(N(C)C)cc1 ZINC001144200934 1137250513 /nfs/dbraw/zinc/25/05/13/1137250513.db2.gz RBGADUBCDVXGSS-UHFFFAOYSA-N 1 2 326.419 3.790 20 10 EHCDLO CC[N@@H+](Cc1n[nH]c2ccc(F)cc21)Cc1ccc(N(C)C)cc1 ZINC001144200934 1137250514 /nfs/dbraw/zinc/25/05/14/1137250514.db2.gz RBGADUBCDVXGSS-UHFFFAOYSA-N 1 2 326.419 3.790 20 10 EHCDLO C[C@H](O)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1F ZINC000846015548 1137326093 /nfs/dbraw/zinc/32/60/93/1137326093.db2.gz YGSHKNKPWCVSOX-XXFAHNHDSA-N 1 2 327.758 3.536 20 10 EHCDLO CCn1nc(C)c(C[N@H+](C)Cc2c(O)ccc(Cl)c2F)c1C ZINC000877664926 1137684973 /nfs/dbraw/zinc/68/49/73/1137684973.db2.gz YMTBMIKLFAGKDJ-UHFFFAOYSA-N 1 2 325.815 3.650 20 10 EHCDLO CCn1nc(C)c(C[N@@H+](C)Cc2c(O)ccc(Cl)c2F)c1C ZINC000877664926 1137684974 /nfs/dbraw/zinc/68/49/74/1137684974.db2.gz YMTBMIKLFAGKDJ-UHFFFAOYSA-N 1 2 325.815 3.650 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(Br)c(F)cc1O ZINC000120218373 1014746431 /nfs/dbraw/zinc/74/64/31/1014746431.db2.gz WMSDFMRGPXADPO-NXEZZACHSA-N 1 2 346.240 3.902 20 10 EHCDLO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Br)c(F)cc1O ZINC000120218548 1014747555 /nfs/dbraw/zinc/74/75/55/1014747555.db2.gz WMSDFMRGPXADPO-UWVGGRQHSA-N 1 2 346.240 3.902 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000895799558 1024854046 /nfs/dbraw/zinc/85/40/46/1024854046.db2.gz UFACNXZMRCIXJU-OAHLLOKOSA-N 1 2 339.863 3.501 20 10 EHCDLO OC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1C(F)(F)F ZINC000897330960 1028294140 /nfs/dbraw/zinc/29/41/40/1028294140.db2.gz KBMBWBSKKHOGDT-AWEZNQCLSA-N 1 2 345.748 3.888 20 10 EHCDLO CC(C)O[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708215959 1028969906 /nfs/dbraw/zinc/96/99/06/1028969906.db2.gz OTGDGNRKEJJCGW-GFCCVEGCSA-N 1 2 348.668 3.807 20 10 EHCDLO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708215959 1028969922 /nfs/dbraw/zinc/96/99/22/1028969922.db2.gz OTGDGNRKEJJCGW-GFCCVEGCSA-N 1 2 348.668 3.807 20 10 EHCDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000529641081 1034331438 /nfs/dbraw/zinc/33/14/38/1034331438.db2.gz JCYQUMLDTHVEBM-UHFFFAOYSA-N 1 2 331.847 3.691 20 10 EHCDLO CCOc1cccc(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1O ZINC000179681499 1034572797 /nfs/dbraw/zinc/57/27/97/1034572797.db2.gz UHBIFKHFHRFKIV-UHFFFAOYSA-N 1 2 340.398 3.970 20 10 EHCDLO CCOc1cccc(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1O ZINC000179681499 1034572802 /nfs/dbraw/zinc/57/28/02/1034572802.db2.gz UHBIFKHFHRFKIV-UHFFFAOYSA-N 1 2 340.398 3.970 20 10 EHCDLO CC(C)c1nnc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000171143464 1037475304 /nfs/dbraw/zinc/47/53/04/1037475304.db2.gz CEAMCBSVELWXGP-UHFFFAOYSA-N 1 2 328.460 3.815 20 10 EHCDLO CC(C)c1nnc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000171143464 1037475317 /nfs/dbraw/zinc/47/53/17/1037475317.db2.gz CEAMCBSVELWXGP-UHFFFAOYSA-N 1 2 328.460 3.815 20 10 EHCDLO COCCn1c2ccccc2[nH+]c1NCc1cc(C)c(C)cc1O ZINC000185847952 1039233750 /nfs/dbraw/zinc/23/37/50/1039233750.db2.gz APEDIARHDLFCME-UHFFFAOYSA-N 1 2 325.412 3.617 20 10 EHCDLO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3csnn3)cc2Cl)C1 ZINC000282268316 1128145940 /nfs/dbraw/zinc/14/59/40/1128145940.db2.gz DEQUWFQTDDRNPY-LBPRGKRZSA-N 1 2 336.892 3.718 20 10 EHCDLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)no1 ZINC000922018800 1129032673 /nfs/dbraw/zinc/03/26/73/1129032673.db2.gz SUQNYCQFZXZQKZ-UHFFFAOYSA-N 1 2 330.428 3.605 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1cccc(F)c1 ZINC000715768907 1129351672 /nfs/dbraw/zinc/35/16/72/1129351672.db2.gz GOESARZREIUHMK-UHFFFAOYSA-N 1 2 328.156 3.723 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922728516 1129645619 /nfs/dbraw/zinc/64/56/19/1129645619.db2.gz RZPATOCVDGAEHB-IMTBSYHQSA-N 1 2 342.130 3.582 20 10 EHCDLO CN(C)c1ccc(C[N@H+](C)Cc2nccn2Cc2ccccc2)cc1 ZINC000736945904 1131442436 /nfs/dbraw/zinc/44/24/36/1131442436.db2.gz UXRSDVMTYWRHQU-UHFFFAOYSA-N 1 2 334.467 3.629 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)cc1 ZINC000736945904 1131442439 /nfs/dbraw/zinc/44/24/39/1131442439.db2.gz UXRSDVMTYWRHQU-UHFFFAOYSA-N 1 2 334.467 3.629 20 10 EHCDLO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000797090120 1133018985 /nfs/dbraw/zinc/01/89/85/1133018985.db2.gz ZDOMNIRMSAAACI-GARJFASQSA-N 1 2 346.240 3.617 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000773750274 1133178338 /nfs/dbraw/zinc/17/83/38/1133178338.db2.gz XNOQJVPRULBCFK-HXUWFJFHSA-N 1 2 328.431 3.855 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000773750274 1133178340 /nfs/dbraw/zinc/17/83/40/1133178340.db2.gz XNOQJVPRULBCFK-HXUWFJFHSA-N 1 2 328.431 3.855 20 10 EHCDLO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(F)cc(F)c1O ZINC000769992588 1133374940 /nfs/dbraw/zinc/37/49/40/1133374940.db2.gz XIHRUYOFTATRHS-UUZUZFRQSA-N 1 2 348.393 3.546 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](c1ccccc1)N(C)C ZINC000770666256 1133457260 /nfs/dbraw/zinc/45/72/60/1133457260.db2.gz KKOWMQVYTQVBFR-SJCJKPOMSA-N 1 2 336.838 3.966 20 10 EHCDLO CCc1ccc(C[NH+]2CCN(Cc3cc(F)c(F)cc3O)CC2)cc1 ZINC001183527335 1133814964 /nfs/dbraw/zinc/81/49/64/1133814964.db2.gz VAODFIAMGKPXAG-UHFFFAOYSA-N 1 2 346.421 3.551 20 10 EHCDLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc(C(F)(F)F)c1O ZINC000788822064 1134177465 /nfs/dbraw/zinc/17/74/65/1134177465.db2.gz IXQFBLDJEPVRMT-SNVBAGLBSA-N 1 2 342.365 3.608 20 10 EHCDLO CC(C)[C@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000775152604 1134397720 /nfs/dbraw/zinc/39/77/20/1134397720.db2.gz NPZKYJYIEBVFJW-IUODEOHRSA-N 1 2 342.277 3.696 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000792156404 1134659140 /nfs/dbraw/zinc/65/91/40/1134659140.db2.gz CHTNBZADWWNZBX-UHFFFAOYSA-N 1 2 329.492 3.511 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000792156404 1134659141 /nfs/dbraw/zinc/65/91/41/1134659141.db2.gz CHTNBZADWWNZBX-UHFFFAOYSA-N 1 2 329.492 3.511 20 10 EHCDLO CC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc(Cl)ccc1O ZINC000775532055 1135025267 /nfs/dbraw/zinc/02/52/67/1135025267.db2.gz KKUXUYPFBFJYBX-INIZCTEOSA-N 1 2 347.846 3.840 20 10 EHCDLO Cc1cc(C(=O)C[N@H+]2CCOCC[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000775568564 1135096107 /nfs/dbraw/zinc/09/61/07/1135096107.db2.gz DKPVFAMZIVGEKH-AWEZNQCLSA-N 1 2 344.430 3.527 20 10 EHCDLO Cc1cc(C(=O)C[N@@H+]2CCOCC[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000775568564 1135096111 /nfs/dbraw/zinc/09/61/11/1135096111.db2.gz DKPVFAMZIVGEKH-AWEZNQCLSA-N 1 2 344.430 3.527 20 10 EHCDLO CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cccc(Cl)c1O ZINC000806147302 1135401033 /nfs/dbraw/zinc/40/10/33/1135401033.db2.gz HNBXRTSVGLIPJU-KRWDZBQOSA-N 1 2 342.830 3.867 20 10 EHCDLO COC(=O)C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(C)c1O ZINC000775658882 1135432102 /nfs/dbraw/zinc/43/21/02/1135432102.db2.gz RNLCBPYMFKDIGD-UHFFFAOYSA-N 1 2 333.815 3.529 20 10 EHCDLO COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(C)c1O ZINC000775658882 1135432104 /nfs/dbraw/zinc/43/21/04/1135432104.db2.gz RNLCBPYMFKDIGD-UHFFFAOYSA-N 1 2 333.815 3.529 20 10 EHCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000775696013 1135532297 /nfs/dbraw/zinc/53/22/97/1135532297.db2.gz GIEBBWLVLWSDTE-UHFFFAOYSA-N 1 2 338.785 3.646 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758110 1135887965 /nfs/dbraw/zinc/88/79/65/1135887965.db2.gz COJSZEZGXSJNSK-QWHCGFSZSA-N 1 2 327.827 3.823 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758110 1135887966 /nfs/dbraw/zinc/88/79/66/1135887966.db2.gz COJSZEZGXSJNSK-QWHCGFSZSA-N 1 2 327.827 3.823 20 10 EHCDLO CCN(CC)c1ccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000810228375 1135941611 /nfs/dbraw/zinc/94/16/11/1135941611.db2.gz SSLOGNFYCVGAHN-UHFFFAOYSA-N 1 2 337.427 3.502 20 10 EHCDLO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000810255260 1135949283 /nfs/dbraw/zinc/94/92/83/1135949283.db2.gz YPRZMGGJXHWAGN-MNOVXSKESA-N 1 2 347.272 3.673 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518084 1136098172 /nfs/dbraw/zinc/09/81/72/1136098172.db2.gz GJDUANFPMCOCMS-GDBMZVCRSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518084 1136098175 /nfs/dbraw/zinc/09/81/75/1136098175.db2.gz GJDUANFPMCOCMS-GDBMZVCRSA-N 1 2 325.811 3.718 20 10 EHCDLO COCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000813882527 1136372895 /nfs/dbraw/zinc/37/28/95/1136372895.db2.gz AOQRWBXKHSYAGT-VIFPVBQESA-N 1 2 334.229 3.617 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc(Cl)c2O)[C@H]1n1cccn1 ZINC000815660897 1136623265 /nfs/dbraw/zinc/62/32/65/1136623265.db2.gz NECPLEWNJMBSGV-YYIAUSFCSA-N 1 2 349.862 3.702 20 10 EHCDLO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CC2 ZINC000816590799 1136734631 /nfs/dbraw/zinc/73/46/31/1136734631.db2.gz MCXURWYYSZLNOW-ZDUSSCGKSA-N 1 2 337.826 3.609 20 10 EHCDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816585795 1136734835 /nfs/dbraw/zinc/73/48/35/1136734835.db2.gz SBSAEOCWPSCNOJ-CYBMUJFWSA-N 1 2 341.732 3.728 20 10 EHCDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816585795 1136734841 /nfs/dbraw/zinc/73/48/41/1136734841.db2.gz SBSAEOCWPSCNOJ-CYBMUJFWSA-N 1 2 341.732 3.728 20 10 EHCDLO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)CCC2 ZINC000858157363 1136944789 /nfs/dbraw/zinc/94/47/89/1136944789.db2.gz FFSRYXXNKRBBQZ-QGZVFWFLSA-N 1 2 348.441 3.975 20 10 EHCDLO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)OC)c1 ZINC000858442347 1136967955 /nfs/dbraw/zinc/96/79/55/1136967955.db2.gz GHAHPJMIQAOEFY-APPDUMDISA-N 1 2 337.366 3.717 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1ccc(C(F)F)cc1)Cc1ccccc1O ZINC000822512275 1137063788 /nfs/dbraw/zinc/06/37/88/1137063788.db2.gz ZRQRAVNTMKVAFX-UHFFFAOYSA-N 1 2 349.377 3.895 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1ccc(C(F)F)cc1)Cc1ccccc1O ZINC000822512275 1137063789 /nfs/dbraw/zinc/06/37/89/1137063789.db2.gz ZRQRAVNTMKVAFX-UHFFFAOYSA-N 1 2 349.377 3.895 20 10 EHCDLO Oc1cc(Br)ccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000825132211 1137167047 /nfs/dbraw/zinc/16/70/47/1137167047.db2.gz YFOHTUCNKVICPU-UHFFFAOYSA-N 1 2 348.244 3.762 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001144306998 1137270795 /nfs/dbraw/zinc/27/07/95/1137270795.db2.gz ZVQPOARTIJINFC-GFCCVEGCSA-N 1 2 336.151 3.525 20 10 EHCDLO C[C@H]([NH2+]Cc1cccnc1F)c1cc(Br)c(F)cc1O ZINC000794838398 1137284770 /nfs/dbraw/zinc/28/47/70/1137284770.db2.gz YNJRHYWUPFMGMW-QMMMGPOBSA-N 1 2 343.171 3.679 20 10 EHCDLO COc1cccc([C@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)c1O ZINC000846160163 1137336782 /nfs/dbraw/zinc/33/67/82/1137336782.db2.gz UAEGOINOLMNQAU-AWEZNQCLSA-N 1 2 327.428 3.959 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1cccc(Cl)c1O ZINC000866427541 1137354152 /nfs/dbraw/zinc/35/41/52/1137354152.db2.gz LRIIFXGHZWALPZ-WFASDCNBSA-N 1 2 327.852 3.876 20 10 EHCDLO COc1cc[nH+]cc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000772948185 1137361157 /nfs/dbraw/zinc/36/11/57/1137361157.db2.gz SONYQBXXEDHXHA-UHFFFAOYSA-N 1 2 342.399 3.601 20 10 EHCDLO CC[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc(F)cc1O ZINC000866619872 1137370224 /nfs/dbraw/zinc/37/02/24/1137370224.db2.gz ILWUNHLIPDQTFO-SNVBAGLBSA-N 1 2 345.237 3.991 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672671 1137685270 /nfs/dbraw/zinc/68/52/70/1137685270.db2.gz KDWTZJNXYCIELX-XJKSGUPXSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672671 1137685271 /nfs/dbraw/zinc/68/52/71/1137685271.db2.gz KDWTZJNXYCIELX-XJKSGUPXSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000883200037 1137848212 /nfs/dbraw/zinc/84/82/12/1137848212.db2.gz YUARKUUWYZVZDJ-OCCSQVGLSA-N 1 2 346.652 3.609 20 10 EHCDLO C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)c1ccncc1 ZINC000883028292 1137842017 /nfs/dbraw/zinc/84/20/17/1137842017.db2.gz FVCVVRULKCHNLU-SNVBAGLBSA-N 1 2 339.208 3.582 20 10 EHCDLO CCOC1CC(CC[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883100836 1137844598 /nfs/dbraw/zinc/84/45/98/1137844598.db2.gz MJGJPYYYAJXRCF-UHFFFAOYSA-N 1 2 346.240 3.589 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000153989435 1014755453 /nfs/dbraw/zinc/75/54/53/1014755453.db2.gz FJGJVVUJKLMHJQ-KRWDZBQOSA-N 1 2 330.815 3.980 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000153989435 1014755467 /nfs/dbraw/zinc/75/54/67/1014755467.db2.gz FJGJVVUJKLMHJQ-KRWDZBQOSA-N 1 2 330.815 3.980 20 10 EHCDLO CC[C@@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1cccc(Cl)c1O ZINC000376835476 1017157081 /nfs/dbraw/zinc/15/70/81/1017157081.db2.gz UEKVIXOZCKZDGJ-XJKSGUPXSA-N 1 2 331.847 3.742 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ncn(C)n1 ZINC000275681755 1018136545 /nfs/dbraw/zinc/13/65/45/1018136545.db2.gz CEQZLMVZRZYWJL-ZDUSSCGKSA-N 1 2 344.503 3.967 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000377795600 1018381238 /nfs/dbraw/zinc/38/12/38/1018381238.db2.gz FYGQERHGIBQVMP-RKDXNWHRSA-N 1 2 326.227 3.630 20 10 EHCDLO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000897043406 1026276905 /nfs/dbraw/zinc/27/69/05/1026276905.db2.gz LBOONDHUWKYCRD-KOLCDFICSA-N 1 2 339.798 3.556 20 10 EHCDLO CCN(CC)c1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000161366567 1026935264 /nfs/dbraw/zinc/93/52/64/1026935264.db2.gz ZTOZDKAFBXUGBG-UHFFFAOYSA-N 1 2 328.460 3.783 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071803 1033324991 /nfs/dbraw/zinc/32/49/91/1033324991.db2.gz TWUHPBPCVDTYQY-JTQLQIEISA-N 1 2 326.824 3.706 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071803 1033325005 /nfs/dbraw/zinc/32/50/05/1033325005.db2.gz TWUHPBPCVDTYQY-JTQLQIEISA-N 1 2 326.824 3.706 20 10 EHCDLO COc1ccc(O)c(C[N@@H+]2Cc3ccc(Br)cc3C2)c1 ZINC000765672321 1127721737 /nfs/dbraw/zinc/72/17/37/1127721737.db2.gz OJNJLRCTOSLWND-UHFFFAOYSA-N 1 2 334.213 3.679 20 10 EHCDLO COc1ccc(O)c(C[N@H+]2Cc3ccc(Br)cc3C2)c1 ZINC000765672321 1127721741 /nfs/dbraw/zinc/72/17/41/1127721741.db2.gz OJNJLRCTOSLWND-UHFFFAOYSA-N 1 2 334.213 3.679 20 10 EHCDLO COc1ccc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000918735596 1122900726 /nfs/dbraw/zinc/90/07/26/1122900726.db2.gz PGEGFCPRSYGFQP-CQSZACIVSA-N 1 2 332.394 3.857 20 10 EHCDLO CN(C)c1ccc(C[N@H+](C)Cc2c(Cl)nc3ccccn32)cc1 ZINC000155197422 1123314474 /nfs/dbraw/zinc/31/44/74/1123314474.db2.gz PUTPXYMRMWTRHC-UHFFFAOYSA-N 1 2 328.847 3.686 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2c(Cl)nc3ccccn32)cc1 ZINC000155197422 1123314478 /nfs/dbraw/zinc/31/44/78/1123314478.db2.gz PUTPXYMRMWTRHC-UHFFFAOYSA-N 1 2 328.847 3.686 20 10 EHCDLO CO[C@](C)(C[NH2+]Cc1cccc(Cl)c1O)COCc1ccccc1 ZINC000702771526 1130248388 /nfs/dbraw/zinc/24/83/88/1130248388.db2.gz SSOZVLIMQDURGR-LJQANCHMSA-N 1 2 349.858 3.757 20 10 EHCDLO CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000767937918 1133073076 /nfs/dbraw/zinc/07/30/76/1133073076.db2.gz KHYKIJLUHOFQCR-UHFFFAOYSA-N 1 2 340.471 3.630 20 10 EHCDLO Cc1cncc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)c1 ZINC001178365951 1133163281 /nfs/dbraw/zinc/16/32/81/1133163281.db2.gz VORSQBGSWZFTBC-UHFFFAOYSA-N 1 2 341.636 3.801 20 10 EHCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000769333097 1133263857 /nfs/dbraw/zinc/26/38/57/1133263857.db2.gz NYGCTZGLMXWGES-SFHVURJKSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000769333097 1133263860 /nfs/dbraw/zinc/26/38/60/1133263860.db2.gz NYGCTZGLMXWGES-SFHVURJKSA-N 1 2 333.815 3.628 20 10 EHCDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2c(O)cc(C)cc2Cl)cc1 ZINC001180103382 1133331999 /nfs/dbraw/zinc/33/19/99/1133331999.db2.gz MCQOOIPNFZXYPF-UHFFFAOYSA-N 1 2 332.831 3.733 20 10 EHCDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2c(O)cc(C)cc2Cl)cc1 ZINC001180103382 1133332004 /nfs/dbraw/zinc/33/20/04/1133332004.db2.gz MCQOOIPNFZXYPF-UHFFFAOYSA-N 1 2 332.831 3.733 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1nc(-c2cccc(F)c2)no1 ZINC001181056836 1133444595 /nfs/dbraw/zinc/44/45/95/1133444595.db2.gz VNPNUHIRBQBSBW-SECBINFHSA-N 1 2 349.312 3.710 20 10 EHCDLO Oc1c(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)ccc(F)c1F ZINC001183779524 1133853916 /nfs/dbraw/zinc/85/39/16/1133853916.db2.gz OGSXKFYNIKLNMP-SNVBAGLBSA-N 1 2 325.305 3.938 20 10 EHCDLO Oc1c(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)ccc(F)c1F ZINC001183779524 1133853922 /nfs/dbraw/zinc/85/39/22/1133853922.db2.gz OGSXKFYNIKLNMP-SNVBAGLBSA-N 1 2 325.305 3.938 20 10 EHCDLO C[C@H](CCC(F)(F)F)[NH2+]Cc1cccc(Br)c1O ZINC000775153166 1134401955 /nfs/dbraw/zinc/40/19/55/1134401955.db2.gz RIDSBGPNZZXBIZ-MRVPVSSYSA-N 1 2 326.156 3.975 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000790947833 1134483784 /nfs/dbraw/zinc/48/37/84/1134483784.db2.gz BRIJHFRWAMPLRZ-VIFPVBQESA-N 1 2 341.732 3.728 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000790947833 1134483786 /nfs/dbraw/zinc/48/37/86/1134483786.db2.gz BRIJHFRWAMPLRZ-VIFPVBQESA-N 1 2 341.732 3.728 20 10 EHCDLO CC(C)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nnc2ccccn21 ZINC000790955248 1134484564 /nfs/dbraw/zinc/48/45/64/1134484564.db2.gz PDFQGFQTKYXYTL-INIZCTEOSA-N 1 2 348.809 3.714 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000793623503 1134975087 /nfs/dbraw/zinc/97/50/87/1134975087.db2.gz HOCFLQGAWPESKT-UHFFFAOYSA-N 1 2 345.805 3.719 20 10 EHCDLO CC[C@@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1cccc(Cl)c1O ZINC000806133371 1135389461 /nfs/dbraw/zinc/38/94/61/1135389461.db2.gz LXVJCNJQQZSOFP-QGZVFWFLSA-N 1 2 346.858 3.825 20 10 EHCDLO CC[C@@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1cccc(Cl)c1O ZINC000806165046 1135405667 /nfs/dbraw/zinc/40/56/67/1135405667.db2.gz CLZKUGHQEZNHHP-OAHLLOKOSA-N 1 2 340.851 3.565 20 10 EHCDLO Cc1cc(Br)cc([C@H](C)N[C@@H](C)C[N@@H+](C)C(C)C)c1O ZINC000810244915 1135947348 /nfs/dbraw/zinc/94/73/48/1135947348.db2.gz JXQJTADGNOMOKV-STQMWFEESA-N 1 2 343.309 3.842 20 10 EHCDLO Cc1cc(Br)cc([C@H](C)N[C@@H](C)C[N@H+](C)C(C)C)c1O ZINC000810244915 1135947349 /nfs/dbraw/zinc/94/73/49/1135947349.db2.gz JXQJTADGNOMOKV-STQMWFEESA-N 1 2 343.309 3.842 20 10 EHCDLO COc1c(C)c[nH+]c(CNC(=S)Nc2ccc(Cl)cc2)c1C ZINC000747618552 1135985422 /nfs/dbraw/zinc/98/54/22/1135985422.db2.gz GTPASJIUOLOHMO-UHFFFAOYSA-N 1 2 335.860 3.847 20 10 EHCDLO CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](O)c1c(F)cccc1F ZINC000776219146 1136070868 /nfs/dbraw/zinc/07/08/68/1136070868.db2.gz DFIRJPMSKBALNA-PBHICJAKSA-N 1 2 341.785 3.926 20 10 EHCDLO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2cscn2)c1 ZINC000850359734 1136240876 /nfs/dbraw/zinc/24/08/76/1136240876.db2.gz PJMLBMMMVQWWII-VIFPVBQESA-N 1 2 327.247 3.770 20 10 EHCDLO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000812780208 1136246727 /nfs/dbraw/zinc/24/67/27/1136246727.db2.gz WKBLCAJGSAEGEZ-HXUWFJFHSA-N 1 2 345.870 3.863 20 10 EHCDLO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000812780208 1136246730 /nfs/dbraw/zinc/24/67/30/1136246730.db2.gz WKBLCAJGSAEGEZ-HXUWFJFHSA-N 1 2 345.870 3.863 20 10 EHCDLO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000850514858 1136275284 /nfs/dbraw/zinc/27/52/84/1136275284.db2.gz QRSJOUARVDGSPT-LSJOCFKGSA-N 1 2 332.213 3.512 20 10 EHCDLO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(Br)cc(F)c1O ZINC000850535217 1136281178 /nfs/dbraw/zinc/28/11/78/1136281178.db2.gz SRRARLVQXNIEAT-CKYFFXLPSA-N 1 2 346.240 3.902 20 10 EHCDLO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000813857649 1136367047 /nfs/dbraw/zinc/36/70/47/1136367047.db2.gz LEMFBVFGXOKXHM-SFHVURJKSA-N 1 2 327.476 3.590 20 10 EHCDLO O=C1/C(=C\c2cc(-n3cc[nH+]c3)cs2)SC(=S)N1C1CCC1 ZINC000814186193 1136419459 /nfs/dbraw/zinc/41/94/59/1136419459.db2.gz VVYDNBLTHYTDQY-NTUHNPAUSA-N 1 2 347.490 3.688 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](c1ccccc1)N(C)C ZINC000816571138 1136738003 /nfs/dbraw/zinc/73/80/03/1136738003.db2.gz SXJCKBYGCLVFBU-KZULUSFZSA-N 1 2 336.838 3.966 20 10 EHCDLO Oc1cccc(Br)c1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000858152970 1136944388 /nfs/dbraw/zinc/94/43/88/1136944388.db2.gz DRGCQSIBIHZIMQ-UHFFFAOYSA-N 1 2 348.244 3.762 20 10 EHCDLO COc1ccc[nH+]c1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000858385867 1136963570 /nfs/dbraw/zinc/96/35/70/1136963570.db2.gz INFONVJLQPSNNP-UHFFFAOYSA-N 1 2 349.381 3.773 20 10 EHCDLO C/C=C/C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000862530185 1137146899 /nfs/dbraw/zinc/14/68/99/1137146899.db2.gz JZXLPPONZLLJID-NSCUHMNNSA-N 1 2 335.039 3.583 20 10 EHCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000824690798 1137148413 /nfs/dbraw/zinc/14/84/13/1137148413.db2.gz MCGMZUBCKOAJGL-HNNXBMFYSA-N 1 2 326.223 3.864 20 10 EHCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000824690798 1137148414 /nfs/dbraw/zinc/14/84/14/1137148414.db2.gz MCGMZUBCKOAJGL-HNNXBMFYSA-N 1 2 326.223 3.864 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000825085823 1137164884 /nfs/dbraw/zinc/16/48/84/1137164884.db2.gz NHXVMDLOBXLEGF-CZUORRHYSA-N 1 2 336.794 3.590 20 10 EHCDLO Cc1[nH+]cn(-c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)c1C ZINC000794801497 1137252134 /nfs/dbraw/zinc/25/21/34/1137252134.db2.gz BHYNJWMGBVLZRR-ONNFQVAWSA-N 1 2 349.390 3.552 20 10 EHCDLO CCCOC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299810 1137268778 /nfs/dbraw/zinc/26/87/78/1137268778.db2.gz IXIMAEKPXAKHGL-UHFFFAOYSA-N 1 2 346.240 3.685 20 10 EHCDLO CCSCc1ccc[nH+]c1NCc1ccc(N2CCOCC2)cc1 ZINC000883378251 1137858118 /nfs/dbraw/zinc/85/81/18/1137858118.db2.gz FBYIIGDFDXESDS-UHFFFAOYSA-N 1 2 343.496 3.783 20 10 EHCDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(F)c(F)c2O)o1 ZINC000187734712 1140269073 /nfs/dbraw/zinc/26/90/73/1140269073.db2.gz BQDXUAWLGKTVFU-HZMBPMFUSA-N 1 2 325.355 3.864 20 10 EHCDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894450343 1022298698 /nfs/dbraw/zinc/29/86/98/1022298698.db2.gz YZLHQNCQJHKQQS-JTQLQIEISA-N 1 2 339.208 3.882 20 10 EHCDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894450343 1022298709 /nfs/dbraw/zinc/29/87/09/1022298709.db2.gz YZLHQNCQJHKQQS-JTQLQIEISA-N 1 2 339.208 3.882 20 10 EHCDLO CC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H]1CCCOC1 ZINC000723952646 1022767054 /nfs/dbraw/zinc/76/70/54/1022767054.db2.gz BYMGRQUXJFHHCP-HZMBPMFUSA-N 1 2 346.240 3.589 20 10 EHCDLO Cc1ccc(-c2cc[nH+]c(NCCc3cc(O)c(O)cc3O)c2)cc1 ZINC001168006300 1024401837 /nfs/dbraw/zinc/40/18/37/1024401837.db2.gz KMFFYSZEEIPLRJ-UHFFFAOYSA-N 1 2 336.391 3.828 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000896824859 1026096147 /nfs/dbraw/zinc/09/61/47/1026096147.db2.gz MFHVQJHKJQTSSU-UHFFFAOYSA-N 1 2 326.824 3.810 20 10 EHCDLO C[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302345315 1027127350 /nfs/dbraw/zinc/12/73/50/1027127350.db2.gz CJWOGBYTPMIKLJ-OAHLLOKOSA-N 1 2 325.460 3.706 20 10 EHCDLO C[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302345315 1027127362 /nfs/dbraw/zinc/12/73/62/1027127362.db2.gz CJWOGBYTPMIKLJ-OAHLLOKOSA-N 1 2 325.460 3.706 20 10 EHCDLO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C[C@H]1C ZINC000898218961 1033374386 /nfs/dbraw/zinc/37/43/86/1033374386.db2.gz UAZDXCCNCZUEHC-MRVWCRGKSA-N 1 2 325.836 3.503 20 10 EHCDLO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000898218615 1033375640 /nfs/dbraw/zinc/37/56/40/1033375640.db2.gz LJQRUTGEAFAYFZ-LBPRGKRZSA-N 1 2 348.830 3.561 20 10 EHCDLO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000898218668 1033375830 /nfs/dbraw/zinc/37/58/30/1033375830.db2.gz MMBWGKYONQEZPH-LBPRGKRZSA-N 1 2 348.830 3.561 20 10 EHCDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cn(-c2ccccc2)nn1 ZINC000186112839 1035585007 /nfs/dbraw/zinc/58/50/07/1035585007.db2.gz ICHBAFKGVAPYSU-STQMWFEESA-N 1 2 326.375 3.524 20 10 EHCDLO CC[N@@H+](Cc1csc(Br)n1)Cc1ccccc1O ZINC001137584501 1042730599 /nfs/dbraw/zinc/73/05/99/1042730599.db2.gz WPLZGVAGYQSADL-UHFFFAOYSA-N 1 2 327.247 3.633 20 10 EHCDLO CC[N@H+](Cc1csc(Br)n1)Cc1ccccc1O ZINC001137584501 1042730593 /nfs/dbraw/zinc/73/05/93/1042730593.db2.gz WPLZGVAGYQSADL-UHFFFAOYSA-N 1 2 327.247 3.633 20 10 EHCDLO CC[N@H+](Cc1scnc1Br)Cc1ccccc1O ZINC001238032680 1126707074 /nfs/dbraw/zinc/70/70/74/1126707074.db2.gz MYGVJHQXLBLTSW-UHFFFAOYSA-N 1 2 327.247 3.633 20 10 EHCDLO CC[N@@H+](Cc1scnc1Br)Cc1ccccc1O ZINC001238032680 1126707076 /nfs/dbraw/zinc/70/70/76/1126707076.db2.gz MYGVJHQXLBLTSW-UHFFFAOYSA-N 1 2 327.247 3.633 20 10 EHCDLO CCOc1ccc(O)c(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000765721458 1127736549 /nfs/dbraw/zinc/73/65/49/1127736549.db2.gz ZVJWMPWJJLORMX-HNNXBMFYSA-N 1 2 346.496 3.731 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1cn2ccccc2n1)Cc1ccco1 ZINC000070975774 1125446695 /nfs/dbraw/zinc/44/66/95/1125446695.db2.gz BUROKJUTXSIXNA-UHFFFAOYSA-N 1 2 333.391 3.835 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1cn2ccccc2n1)Cc1ccco1 ZINC000070975774 1125446696 /nfs/dbraw/zinc/44/66/96/1125446696.db2.gz BUROKJUTXSIXNA-UHFFFAOYSA-N 1 2 333.391 3.835 20 10 EHCDLO Oc1cccc(F)c1C[N@@H+]1CCc2c(Br)cccc2C1 ZINC001137838747 1130557479 /nfs/dbraw/zinc/55/74/79/1130557479.db2.gz JQJWZLTZFXSCDY-UHFFFAOYSA-N 1 2 336.204 3.852 20 10 EHCDLO Oc1cccc(F)c1C[N@H+]1CCc2c(Br)cccc2C1 ZINC001137838747 1130557483 /nfs/dbraw/zinc/55/74/83/1130557483.db2.gz JQJWZLTZFXSCDY-UHFFFAOYSA-N 1 2 336.204 3.852 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000768425492 1133137420 /nfs/dbraw/zinc/13/74/20/1133137420.db2.gz MWNAPXHISLWUBW-LJQANCHMSA-N 1 2 332.394 3.604 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000768425492 1133137422 /nfs/dbraw/zinc/13/74/22/1133137422.db2.gz MWNAPXHISLWUBW-LJQANCHMSA-N 1 2 332.394 3.604 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nncn2-c2ccccc2)cc1 ZINC000769696624 1133332095 /nfs/dbraw/zinc/33/20/95/1133332095.db2.gz NENSIMIRCKMNBI-UHFFFAOYSA-N 1 2 349.482 3.746 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nncn2-c2ccccc2)cc1 ZINC000769696624 1133332098 /nfs/dbraw/zinc/33/20/98/1133332098.db2.gz NENSIMIRCKMNBI-UHFFFAOYSA-N 1 2 349.482 3.746 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1Cl ZINC001180883183 1133425189 /nfs/dbraw/zinc/42/51/89/1133425189.db2.gz GHNUCFQUVCRTGY-CQSZACIVSA-N 1 2 325.836 3.660 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1Cl ZINC001180883183 1133425193 /nfs/dbraw/zinc/42/51/93/1133425193.db2.gz GHNUCFQUVCRTGY-CQSZACIVSA-N 1 2 325.836 3.660 20 10 EHCDLO COCC[N@H+](Cc1scnc1C)Cc1c(O)ccc(Cl)c1F ZINC000787311130 1133993915 /nfs/dbraw/zinc/99/39/15/1133993915.db2.gz SCGHQPZFRGKYCH-UHFFFAOYSA-N 1 2 344.839 3.598 20 10 EHCDLO COCC[N@@H+](Cc1scnc1C)Cc1c(O)ccc(Cl)c1F ZINC000787311130 1133993920 /nfs/dbraw/zinc/99/39/20/1133993920.db2.gz SCGHQPZFRGKYCH-UHFFFAOYSA-N 1 2 344.839 3.598 20 10 EHCDLO CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)CC2 ZINC000790697908 1134454557 /nfs/dbraw/zinc/45/45/57/1134454557.db2.gz OJIHBKFKVKVJAM-BXUZGUMPSA-N 1 2 335.398 3.656 20 10 EHCDLO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(Cl)c1O ZINC000806136159 1135389859 /nfs/dbraw/zinc/38/98/59/1135389859.db2.gz TVONKEWWUMWHRS-GXFFZTMASA-N 1 2 336.785 3.723 20 10 EHCDLO CC[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cccc(Cl)c1O ZINC000806140951 1135399258 /nfs/dbraw/zinc/39/92/58/1135399258.db2.gz OEMFFJPHORPJKB-QGZVFWFLSA-N 1 2 331.843 3.616 20 10 EHCDLO CC[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000806142119 1135400135 /nfs/dbraw/zinc/40/01/35/1135400135.db2.gz YQNLDANYOBKCGU-BBRMVZONSA-N 1 2 327.852 3.530 20 10 EHCDLO CCOC(=O)C1([N@H+](C)Cc2cccc(Cl)c2O)CCCCC1 ZINC000775724972 1135579330 /nfs/dbraw/zinc/57/93/30/1135579330.db2.gz PFLQJUPDKSNQLO-UHFFFAOYSA-N 1 2 325.836 3.743 20 10 EHCDLO CCOC(=O)C1([N@@H+](C)Cc2cccc(Cl)c2O)CCCCC1 ZINC000775724972 1135579335 /nfs/dbraw/zinc/57/93/35/1135579335.db2.gz PFLQJUPDKSNQLO-UHFFFAOYSA-N 1 2 325.836 3.743 20 10 EHCDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001199110104 1135882674 /nfs/dbraw/zinc/88/26/74/1135882674.db2.gz JMFGVTXJDXBNTD-SNVBAGLBSA-N 1 2 336.794 3.994 20 10 EHCDLO CCOCc1nc([C@H](C)[NH2+][C@H](CC)c2cc(Cl)ccc2O)no1 ZINC000810256463 1135949373 /nfs/dbraw/zinc/94/93/73/1135949373.db2.gz ZYAFHILKHLLEAP-GXFFZTMASA-N 1 2 339.823 3.767 20 10 EHCDLO CC(C)(C)c1nnc(C[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC000816556143 1136736331 /nfs/dbraw/zinc/73/63/31/1136736331.db2.gz AZRPTMKPRSATHB-UHFFFAOYSA-N 1 2 329.828 3.624 20 10 EHCDLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccc(N2CCOCC2)c(F)c1 ZINC000817948504 1136850321 /nfs/dbraw/zinc/85/03/21/1136850321.db2.gz AOYBIKSJUIORKC-AWEZNQCLSA-N 1 2 341.430 3.803 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(Cl)c1O ZINC000858537421 1136977072 /nfs/dbraw/zinc/97/70/72/1136977072.db2.gz OCOVUPLKMIPZSV-RKVPGOIHSA-N 1 2 348.830 3.717 20 10 EHCDLO CCCN(Cc1ccccc1O)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000820878432 1137009645 /nfs/dbraw/zinc/00/96/45/1137009645.db2.gz ISERCQGEBYXDTA-KRWDZBQOSA-N 1 2 329.444 3.615 20 10 EHCDLO CC(C)[N@H+](Cc1cc(Br)c(F)cc1O)C1CCOCC1 ZINC001144308290 1137271143 /nfs/dbraw/zinc/27/11/43/1137271143.db2.gz KXEBSKDALRXFFI-UHFFFAOYSA-N 1 2 346.240 3.683 20 10 EHCDLO CC(C)[N@@H+](Cc1cc(Br)c(F)cc1O)C1CCOCC1 ZINC001144308290 1137271144 /nfs/dbraw/zinc/27/11/44/1137271144.db2.gz KXEBSKDALRXFFI-UHFFFAOYSA-N 1 2 346.240 3.683 20 10 EHCDLO Cc1ccc(C[N@@H+](C)Cc2cc(Br)c(F)cc2O)cn1 ZINC001144307804 1137271262 /nfs/dbraw/zinc/27/12/62/1137271262.db2.gz IBUHCJZJKHIIGU-UHFFFAOYSA-N 1 2 339.208 3.629 20 10 EHCDLO Cc1ccc(C[N@H+](C)Cc2cc(Br)c(F)cc2O)cn1 ZINC001144307804 1137271263 /nfs/dbraw/zinc/27/12/63/1137271263.db2.gz IBUHCJZJKHIIGU-UHFFFAOYSA-N 1 2 339.208 3.629 20 10 EHCDLO F[C@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000866230077 1137336856 /nfs/dbraw/zinc/33/68/56/1137336856.db2.gz WOYKAQODYATNHW-ICSRJNTNSA-N 1 2 326.415 3.848 20 10 EHCDLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc(F)cc1O ZINC000714930982 1137474433 /nfs/dbraw/zinc/47/44/33/1137474433.db2.gz AZBRVROKMOAIMF-ZETCQYMHSA-N 1 2 331.210 3.601 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672670 1137685241 /nfs/dbraw/zinc/68/52/41/1137685241.db2.gz KDWTZJNXYCIELX-CZUORRHYSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672670 1137685242 /nfs/dbraw/zinc/68/52/42/1137685242.db2.gz KDWTZJNXYCIELX-CZUORRHYSA-N 1 2 335.806 3.883 20 10 EHCDLO Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)n1-c1ccccc1 ZINC000101865186 1137871855 /nfs/dbraw/zinc/87/18/55/1137871855.db2.gz RSOBWARMPQEVHG-UHFFFAOYSA-N 1 2 348.450 3.768 20 10 EHCDLO CCOc1cccc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c1O ZINC000093814652 1138241338 /nfs/dbraw/zinc/24/13/38/1138241338.db2.gz SJUWRZDPBPODGA-UHFFFAOYSA-N 1 2 346.374 3.898 20 10 EHCDLO CCOc1cccc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c1O ZINC000093814652 1138241339 /nfs/dbraw/zinc/24/13/39/1138241339.db2.gz SJUWRZDPBPODGA-UHFFFAOYSA-N 1 2 346.374 3.898 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3cc(OC)ccc3Cl)CC2)cc1 ZINC001137260543 1139303987 /nfs/dbraw/zinc/30/39/87/1139303987.db2.gz ULWZSIPGWIBBBQ-UHFFFAOYSA-N 1 2 346.858 3.679 20 10 EHCDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(F)c(F)c2O)o1 ZINC000187734749 1140269198 /nfs/dbraw/zinc/26/91/98/1140269198.db2.gz BQDXUAWLGKTVFU-YGRLFVJLSA-N 1 2 325.355 3.864 20 10 EHCDLO COc1cc(C[N@H+](Cc2cccc(Cl)c2O)C2CC2)ccc1O ZINC000191510324 1140469646 /nfs/dbraw/zinc/46/96/46/1140469646.db2.gz WLMHXLXBJLMFTB-UHFFFAOYSA-N 1 2 333.815 3.924 20 10 EHCDLO COc1cc(C[N@@H+](Cc2cccc(Cl)c2O)C2CC2)ccc1O ZINC000191510324 1140469649 /nfs/dbraw/zinc/46/96/49/1140469649.db2.gz WLMHXLXBJLMFTB-UHFFFAOYSA-N 1 2 333.815 3.924 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(Cc2ccccc2)no1 ZINC000191600855 1140474601 /nfs/dbraw/zinc/47/46/01/1140474601.db2.gz MLUKUSGQEXFERC-OAHLLOKOSA-N 1 2 336.439 3.577 20 10 EHCDLO CCC[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)OC ZINC000834840234 1020829268 /nfs/dbraw/zinc/82/92/68/1020829268.db2.gz GLRIIRRDGFDMBM-ONGXEEELSA-N 1 2 334.229 3.760 20 10 EHCDLO C[C@H]([NH2+]CCC[C@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000834901827 1021082573 /nfs/dbraw/zinc/08/25/73/1021082573.db2.gz DCIRSSRBRJZKMS-QWRGUYRKSA-N 1 2 346.240 3.761 20 10 EHCDLO C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)cc(F)c1O ZINC000926904318 1031026305 /nfs/dbraw/zinc/02/63/05/1031026305.db2.gz GIFVJJQCDKBSEB-FWDPORAESA-N 1 2 339.304 3.821 20 10 EHCDLO CCc1noc(C2CCC([NH2+]Cc3cccc(Cl)c3O)CC2)n1 ZINC000898218414 1033373837 /nfs/dbraw/zinc/37/38/37/1033373837.db2.gz GPZSJJPYDAZWAB-UHFFFAOYSA-N 1 2 335.835 3.807 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000177267104 1034926760 /nfs/dbraw/zinc/92/67/60/1034926760.db2.gz HWAOWCUZCDJMKZ-ORAYPTAESA-N 1 2 343.398 3.696 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000177267104 1034926765 /nfs/dbraw/zinc/92/67/65/1034926765.db2.gz HWAOWCUZCDJMKZ-ORAYPTAESA-N 1 2 343.398 3.696 20 10 EHCDLO Cc1noc(C)c1C[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000893962581 1039866094 /nfs/dbraw/zinc/86/60/94/1039866094.db2.gz NRXUWOBIUVQSMM-UHFFFAOYSA-N 1 2 343.196 3.531 20 10 EHCDLO Cc1noc(C)c1C[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000893962581 1039866120 /nfs/dbraw/zinc/86/61/20/1039866120.db2.gz NRXUWOBIUVQSMM-UHFFFAOYSA-N 1 2 343.196 3.531 20 10 EHCDLO CC[N@H+](Cc1ccccn1)Cc1cc(Br)cc(F)c1O ZINC000894021626 1039967695 /nfs/dbraw/zinc/96/76/95/1039967695.db2.gz OJVHZONCAHKPRK-UHFFFAOYSA-N 1 2 339.208 3.711 20 10 EHCDLO CC[N@@H+](Cc1ccccn1)Cc1cc(Br)cc(F)c1O ZINC000894021626 1039967713 /nfs/dbraw/zinc/96/77/13/1039967713.db2.gz OJVHZONCAHKPRK-UHFFFAOYSA-N 1 2 339.208 3.711 20 10 EHCDLO CC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(N(C)C)cc1 ZINC000182883297 1125388099 /nfs/dbraw/zinc/38/80/99/1125388099.db2.gz CQWVLHSDQYNSEA-IBGZPJMESA-N 1 2 340.471 3.547 20 10 EHCDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCS1 ZINC000922834961 1129682152 /nfs/dbraw/zinc/68/21/52/1129682152.db2.gz WRYHRSZIOPRGAI-KWQFWETISA-N 1 2 334.254 3.668 20 10 EHCDLO CC(C)c1cnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000733310763 1131021200 /nfs/dbraw/zinc/02/12/00/1131021200.db2.gz VWQZMABCCSWVAP-INIZCTEOSA-N 1 2 330.428 3.685 20 10 EHCDLO CC(C)c1cnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000733310763 1131021206 /nfs/dbraw/zinc/02/12/06/1131021206.db2.gz VWQZMABCCSWVAP-INIZCTEOSA-N 1 2 330.428 3.685 20 10 EHCDLO CCO[C@@H](C)c1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000736945691 1131442244 /nfs/dbraw/zinc/44/22/44/1131442244.db2.gz RDGBETQUVMGOLI-HNNXBMFYSA-N 1 2 346.475 3.644 20 10 EHCDLO CCO[C@@H](C)c1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000736945691 1131442248 /nfs/dbraw/zinc/44/22/48/1131442248.db2.gz RDGBETQUVMGOLI-HNNXBMFYSA-N 1 2 346.475 3.644 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1O ZINC001179489124 1133255183 /nfs/dbraw/zinc/25/51/83/1133255183.db2.gz FVLMIOBWLFSFND-SECBINFHSA-N 1 2 340.192 3.850 20 10 EHCDLO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000769997259 1133375470 /nfs/dbraw/zinc/37/54/70/1133375470.db2.gz XYTKNBHJVCOUHH-NCDNIOQDSA-N 1 2 348.668 3.786 20 10 EHCDLO CC(C)[C@H](C[NH2+]Cc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC001182604083 1133710543 /nfs/dbraw/zinc/71/05/43/1133710543.db2.gz DDDBPPRJQKFAGX-ZDUSSCGKSA-N 1 2 327.852 3.749 20 10 EHCDLO CCC(C)(C)OC1C[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC001182918962 1133742860 /nfs/dbraw/zinc/74/28/60/1133742860.db2.gz TVAKABDZTQFEBQ-UHFFFAOYSA-N 1 2 342.277 3.853 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001183960134 1133881673 /nfs/dbraw/zinc/88/16/73/1133881673.db2.gz WDQHVNNIYXZJKX-CYBMUJFWSA-N 1 2 327.827 3.823 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001183960134 1133881678 /nfs/dbraw/zinc/88/16/78/1133881678.db2.gz WDQHVNNIYXZJKX-CYBMUJFWSA-N 1 2 327.827 3.823 20 10 EHCDLO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000775151573 1134395868 /nfs/dbraw/zinc/39/58/68/1134395868.db2.gz IONJMGYCLXPKCD-AAEUAGOBSA-N 1 2 330.291 3.774 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000790947810 1134483856 /nfs/dbraw/zinc/48/38/56/1134483856.db2.gz BRIJHFRWAMPLRZ-SECBINFHSA-N 1 2 341.732 3.728 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000790947810 1134483861 /nfs/dbraw/zinc/48/38/61/1134483861.db2.gz BRIJHFRWAMPLRZ-SECBINFHSA-N 1 2 341.732 3.728 20 10 EHCDLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccc(N2CCOCC2)cc1 ZINC000775258420 1134593708 /nfs/dbraw/zinc/59/37/08/1134593708.db2.gz ABFRIQULZDGZMC-OAHLLOKOSA-N 1 2 343.471 3.660 20 10 EHCDLO CC[C@@H]([NH2+]C1CCN(CCCOC)CC1)c1cc(Cl)ccc1O ZINC000775500768 1134967365 /nfs/dbraw/zinc/96/73/65/1134967365.db2.gz KVXHAMSYIKHXRC-QGZVFWFLSA-N 1 2 340.895 3.587 20 10 EHCDLO COCC[N@H+](Cc1cccs1)Cc1cc(Cl)cc(F)c1O ZINC000775644563 1135394332 /nfs/dbraw/zinc/39/43/32/1135394332.db2.gz OLOQCTQELCRTJX-UHFFFAOYSA-N 1 2 329.824 3.895 20 10 EHCDLO COCC[N@@H+](Cc1cccs1)Cc1cc(Cl)cc(F)c1O ZINC000775644563 1135394339 /nfs/dbraw/zinc/39/43/39/1135394339.db2.gz OLOQCTQELCRTJX-UHFFFAOYSA-N 1 2 329.824 3.895 20 10 EHCDLO CC[C@@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1cccc(Cl)c1O ZINC000806141645 1135399558 /nfs/dbraw/zinc/39/95/58/1135399558.db2.gz UXTJHSPHUOJJKC-QGZVFWFLSA-N 1 2 346.858 3.689 20 10 EHCDLO CC[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cccc(Cl)c1O ZINC000806144092 1135400235 /nfs/dbraw/zinc/40/02/35/1135400235.db2.gz NZLINROZRAJCCW-AWEZNQCLSA-N 1 2 340.851 3.706 20 10 EHCDLO CC[C@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1cccc(Cl)c1O ZINC000806161521 1135405151 /nfs/dbraw/zinc/40/51/51/1135405151.db2.gz QYUKQIPKPDJIJB-QAPCUYQASA-N 1 2 333.859 3.998 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000775786353 1135733869 /nfs/dbraw/zinc/73/38/69/1135733869.db2.gz SXCCHYQOUHDIEY-OAHLLOKOSA-N 1 2 338.810 3.704 20 10 EHCDLO Cc1ccccc1-c1nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775833176 1135790394 /nfs/dbraw/zinc/79/03/94/1135790394.db2.gz HGFXWSWGSHSIIA-OAHLLOKOSA-N 1 2 336.439 3.962 20 10 EHCDLO Cn1ccnc1C[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809635320 1135863636 /nfs/dbraw/zinc/86/36/36/1135863636.db2.gz FNQGJXUFOHYAMI-UHFFFAOYSA-N 1 2 346.478 3.615 20 10 EHCDLO Cn1ccnc1C[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809635320 1135863641 /nfs/dbraw/zinc/86/36/41/1135863641.db2.gz FNQGJXUFOHYAMI-UHFFFAOYSA-N 1 2 346.478 3.615 20 10 EHCDLO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc(Cl)c1O ZINC000809702768 1135874305 /nfs/dbraw/zinc/87/43/05/1135874305.db2.gz YDZIJRKVSMLYSO-UHFFFAOYSA-N 1 2 343.814 3.770 20 10 EHCDLO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc(Cl)c1O ZINC000809702768 1135874311 /nfs/dbraw/zinc/87/43/11/1135874311.db2.gz YDZIJRKVSMLYSO-UHFFFAOYSA-N 1 2 343.814 3.770 20 10 EHCDLO CN(C)C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(F)cc1 ZINC000809769980 1135880230 /nfs/dbraw/zinc/88/02/30/1135880230.db2.gz OTVHLNLTFQNCAB-INIZCTEOSA-N 1 2 340.801 3.716 20 10 EHCDLO CCOC(=O)C[C@](C)([NH2+]Cc1cc(Cl)cc(F)c1O)C(C)C ZINC000776020661 1135920991 /nfs/dbraw/zinc/92/09/91/1135920991.db2.gz QWOTXRONWPEWNS-INIZCTEOSA-N 1 2 331.815 3.642 20 10 EHCDLO CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)c1cc(Br)ccc1O ZINC000810244492 1135947617 /nfs/dbraw/zinc/94/76/17/1135947617.db2.gz FOJGPFPAFXJXFD-RYUDHWBXSA-N 1 2 329.282 3.534 20 10 EHCDLO CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1cc(Br)ccc1O ZINC000810244492 1135947618 /nfs/dbraw/zinc/94/76/18/1135947618.db2.gz FOJGPFPAFXJXFD-RYUDHWBXSA-N 1 2 329.282 3.534 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2ccc(N3CCOCC3=O)cc2)cc1 ZINC001201498328 1136029081 /nfs/dbraw/zinc/02/90/81/1136029081.db2.gz YRZWSQMFZWYSTA-UHFFFAOYSA-N 1 2 325.412 3.614 20 10 EHCDLO CC[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cccc(Cl)c1O ZINC000850501214 1136272605 /nfs/dbraw/zinc/27/26/05/1136272605.db2.gz MRNPMHZTFXFOHQ-HOTGVXAUSA-N 1 2 344.842 3.674 20 10 EHCDLO CC[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cccc(Cl)c1O ZINC000850574370 1136290000 /nfs/dbraw/zinc/29/00/00/1136290000.db2.gz XUXFZZSNOUEJBN-HNNXBMFYSA-N 1 2 338.879 3.912 20 10 EHCDLO CCC[N@H+](Cc1noc(Cc2ccccc2)n1)Cc1ccccc1O ZINC000109836016 1136348929 /nfs/dbraw/zinc/34/89/29/1136348929.db2.gz BCLCZNQGLIWOIM-UHFFFAOYSA-N 1 2 337.423 3.778 20 10 EHCDLO CCC[N@@H+](Cc1noc(Cc2ccccc2)n1)Cc1ccccc1O ZINC000109836016 1136348932 /nfs/dbraw/zinc/34/89/32/1136348932.db2.gz BCLCZNQGLIWOIM-UHFFFAOYSA-N 1 2 337.423 3.778 20 10 EHCDLO CCn1ncc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000851878972 1136415558 /nfs/dbraw/zinc/41/55/58/1136415558.db2.gz DSAOJWPSLZYQFI-INIZCTEOSA-N 1 2 336.439 3.767 20 10 EHCDLO CCn1ncc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000851878972 1136415560 /nfs/dbraw/zinc/41/55/60/1136415560.db2.gz DSAOJWPSLZYQFI-INIZCTEOSA-N 1 2 336.439 3.767 20 10 EHCDLO CC(C)[N@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000814618657 1136481267 /nfs/dbraw/zinc/48/12/67/1136481267.db2.gz GBZLIFXVLRRJGE-UHFFFAOYSA-N 1 2 329.492 3.579 20 10 EHCDLO CC(C)[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000814618657 1136481269 /nfs/dbraw/zinc/48/12/69/1136481269.db2.gz GBZLIFXVLRRJGE-UHFFFAOYSA-N 1 2 329.492 3.579 20 10 EHCDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000816494492 1136724909 /nfs/dbraw/zinc/72/49/09/1136724909.db2.gz NPVZGSJVXLBMMT-UHFFFAOYSA-N 1 2 348.805 3.701 20 10 EHCDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000816494492 1136724912 /nfs/dbraw/zinc/72/49/12/1136724912.db2.gz NPVZGSJVXLBMMT-UHFFFAOYSA-N 1 2 348.805 3.701 20 10 EHCDLO Cn1c(CCC[NH2+]Cc2cc(Cl)c(F)cc2O)nc2ccccc21 ZINC000816563063 1136737173 /nfs/dbraw/zinc/73/71/73/1136737173.db2.gz IQPWPYUZOPKNKX-UHFFFAOYSA-N 1 2 347.821 3.794 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000816615993 1136741558 /nfs/dbraw/zinc/74/15/58/1136741558.db2.gz LNOYLYMJVOTOOW-HOTGVXAUSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000816615993 1136741559 /nfs/dbraw/zinc/74/15/59/1136741559.db2.gz LNOYLYMJVOTOOW-HOTGVXAUSA-N 1 2 325.811 3.718 20 10 EHCDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(O)cccc2Br)no1 ZINC000862225050 1137133233 /nfs/dbraw/zinc/13/32/33/1137133233.db2.gz OAJOZEIPOFZGDQ-AWEZNQCLSA-N 1 2 337.217 3.788 20 10 EHCDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2c(O)cccc2Br)no1 ZINC000862225050 1137133234 /nfs/dbraw/zinc/13/32/34/1137133234.db2.gz OAJOZEIPOFZGDQ-AWEZNQCLSA-N 1 2 337.217 3.788 20 10 EHCDLO CC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)NC(=O)OC(C)(C)C ZINC000824667086 1137147456 /nfs/dbraw/zinc/14/74/56/1137147456.db2.gz RNXWISZKKQDWLI-LBPRGKRZSA-N 1 2 346.830 3.578 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000863547897 1137191869 /nfs/dbraw/zinc/19/18/69/1137191869.db2.gz SCBXMHZEYKNMDS-FXPVBKGRSA-N 1 2 347.684 3.599 20 10 EHCDLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(C)cc1O ZINC000794815708 1137263799 /nfs/dbraw/zinc/26/37/99/1137263799.db2.gz KYBCGRXJXNMIDI-MRXNPFEDSA-N 1 2 340.402 3.866 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(C(F)F)CC1 ZINC001144306602 1137270817 /nfs/dbraw/zinc/27/08/17/1137270817.db2.gz IRGMJKZJBNABMA-UHFFFAOYSA-N 1 2 338.167 3.771 20 10 EHCDLO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000866443462 1137355144 /nfs/dbraw/zinc/35/51/44/1137355144.db2.gz NDGVJEBTWFSABU-LHGDZMGGSA-N 1 2 332.213 3.510 20 10 EHCDLO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000866499774 1137359167 /nfs/dbraw/zinc/35/91/67/1137359167.db2.gz NVUKNWGFSKDIRK-VCPWFBHLSA-N 1 2 342.130 3.895 20 10 EHCDLO Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)on1 ZINC000877522204 1137679381 /nfs/dbraw/zinc/67/93/81/1137679381.db2.gz KROXRHCKDPNIRS-UHFFFAOYSA-N 1 2 325.412 3.844 20 10 EHCDLO Cc1cc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)on1 ZINC000877522204 1137679382 /nfs/dbraw/zinc/67/93/82/1137679382.db2.gz KROXRHCKDPNIRS-UHFFFAOYSA-N 1 2 325.412 3.844 20 10 EHCDLO Oc1c(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)ccc(F)c1F ZINC000877570193 1137681614 /nfs/dbraw/zinc/68/16/14/1137681614.db2.gz DUJFDKWPQNTWQC-LLVKDONJSA-N 1 2 329.268 3.865 20 10 EHCDLO CC(=O)Nc1cccc2c1C[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC000877681651 1137685621 /nfs/dbraw/zinc/68/56/21/1137685621.db2.gz RHTRNRGLWMIMDX-UHFFFAOYSA-N 1 2 330.815 3.562 20 10 EHCDLO CC(=O)Nc1cccc2c1C[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC000877681651 1137685622 /nfs/dbraw/zinc/68/56/22/1137685622.db2.gz RHTRNRGLWMIMDX-UHFFFAOYSA-N 1 2 330.815 3.562 20 10 EHCDLO Cc1ccncc1[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883082050 1137843952 /nfs/dbraw/zinc/84/39/52/1137843952.db2.gz VQSUCKBMVIDKCN-JTQLQIEISA-N 1 2 339.208 3.848 20 10 EHCDLO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1c(O)cccc1F ZINC000886631676 1138103932 /nfs/dbraw/zinc/10/39/32/1138103932.db2.gz UBYWEJOFXJKQAZ-PBHICJAKSA-N 1 2 339.414 3.899 20 10 EHCDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000748094225 1016215101 /nfs/dbraw/zinc/21/51/01/1016215101.db2.gz NAAXIUNXAHKOFL-ZDUSSCGKSA-N 1 2 333.432 3.546 20 10 EHCDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000748094225 1016215107 /nfs/dbraw/zinc/21/51/07/1016215107.db2.gz NAAXIUNXAHKOFL-ZDUSSCGKSA-N 1 2 333.432 3.546 20 10 EHCDLO Cn1c(Cl)cnc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000053139086 1016623191 /nfs/dbraw/zinc/62/31/91/1016623191.db2.gz RTBJSZODGRHDFJ-UHFFFAOYSA-N 1 2 332.879 3.696 20 10 EHCDLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000053139086 1016623198 /nfs/dbraw/zinc/62/31/98/1016623198.db2.gz RTBJSZODGRHDFJ-UHFFFAOYSA-N 1 2 332.879 3.696 20 10 EHCDLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000183381575 1032165135 /nfs/dbraw/zinc/16/51/35/1032165135.db2.gz GDLHTQZIWXJLBY-CYBMUJFWSA-N 1 2 342.830 3.819 20 10 EHCDLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000183381575 1032165145 /nfs/dbraw/zinc/16/51/45/1032165145.db2.gz GDLHTQZIWXJLBY-CYBMUJFWSA-N 1 2 342.830 3.819 20 10 EHCDLO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC000894902753 1022059504 /nfs/dbraw/zinc/05/95/04/1022059504.db2.gz LAGDUQLKZCKWPI-RNCFNFMXSA-N 1 2 348.668 3.665 20 10 EHCDLO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001137749336 1024017218 /nfs/dbraw/zinc/01/72/18/1024017218.db2.gz YZLACGIOMLWVME-UHFFFAOYSA-N 1 2 332.879 3.614 20 10 EHCDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001137749336 1024017232 /nfs/dbraw/zinc/01/72/32/1024017232.db2.gz YZLACGIOMLWVME-UHFFFAOYSA-N 1 2 332.879 3.614 20 10 EHCDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)cs1 ZINC000273622753 1027522850 /nfs/dbraw/zinc/52/28/50/1027522850.db2.gz ZOHLTKZAAZWTOK-WDEREUQCSA-N 1 2 334.441 3.610 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000129624215 1027584588 /nfs/dbraw/zinc/58/45/88/1027584588.db2.gz BBIDVJNFSKPOQL-PXAZEXFGSA-N 1 2 347.846 3.528 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000129624215 1027584599 /nfs/dbraw/zinc/58/45/99/1027584599.db2.gz BBIDVJNFSKPOQL-PXAZEXFGSA-N 1 2 347.846 3.528 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000728542363 1028741711 /nfs/dbraw/zinc/74/17/11/1028741711.db2.gz NRQDDMOYGKDTRC-FQEVSTJZSA-N 1 2 348.450 3.768 20 10 EHCDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)[nH]1 ZINC000278365626 1030400015 /nfs/dbraw/zinc/40/00/15/1030400015.db2.gz BSQZZQXIVGXRND-JGVFFNPUSA-N 1 2 329.231 3.791 20 10 EHCDLO CC[C@@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1cccc(Cl)c1O ZINC000527997100 1031557880 /nfs/dbraw/zinc/55/78/80/1031557880.db2.gz GWLBCPPQZHQQIW-ZBFHGGJFSA-N 1 2 330.815 3.650 20 10 EHCDLO CCO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000894047844 1040008136 /nfs/dbraw/zinc/00/81/36/1040008136.db2.gz XMYHKQHNEUVUKN-QWHCGFSZSA-N 1 2 328.250 3.592 20 10 EHCDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894083780 1040041634 /nfs/dbraw/zinc/04/16/34/1040041634.db2.gz FOEYCUIJQCLQHZ-QVQLBTGDSA-N 1 2 339.407 3.601 20 10 EHCDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894083780 1040041646 /nfs/dbraw/zinc/04/16/46/1040041646.db2.gz FOEYCUIJQCLQHZ-QVQLBTGDSA-N 1 2 339.407 3.601 20 10 EHCDLO Cc1cc(NCc2cccc(Br)c2O)nc(C2CC2)[nH+]1 ZINC000764933555 1127555112 /nfs/dbraw/zinc/55/51/12/1127555112.db2.gz FKHOQVXIQNXKJW-UHFFFAOYSA-N 1 2 334.217 3.743 20 10 EHCDLO CC(C)O[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715796073 1129488977 /nfs/dbraw/zinc/48/89/77/1129488977.db2.gz NYVFHKHROLGRRX-ZDUSSCGKSA-N 1 2 346.240 3.683 20 10 EHCDLO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715796073 1129488978 /nfs/dbraw/zinc/48/89/78/1129488978.db2.gz NYVFHKHROLGRRX-ZDUSSCGKSA-N 1 2 346.240 3.683 20 10 EHCDLO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C1(C)C ZINC000766087825 1130236374 /nfs/dbraw/zinc/23/63/74/1130236374.db2.gz FYZSIJIVIXCDQV-KGLIPLIRSA-N 1 2 342.277 3.836 20 10 EHCDLO COC(=O)C[N@H+](Cc1cc(C)ccc1C)Cc1cc(Cl)ccc1O ZINC000731844865 1130849896 /nfs/dbraw/zinc/84/98/96/1130849896.db2.gz KMFBQENSHIAYJK-UHFFFAOYSA-N 1 2 347.842 3.838 20 10 EHCDLO COC(=O)C[N@@H+](Cc1cc(C)ccc1C)Cc1cc(Cl)ccc1O ZINC000731844865 1130849905 /nfs/dbraw/zinc/84/99/05/1130849905.db2.gz KMFBQENSHIAYJK-UHFFFAOYSA-N 1 2 347.842 3.838 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000773748548 1133175179 /nfs/dbraw/zinc/17/51/79/1133175179.db2.gz NHTOZYUOBHZFNB-HXUWFJFHSA-N 1 2 346.421 3.994 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000773748548 1133175180 /nfs/dbraw/zinc/17/51/80/1133175180.db2.gz NHTOZYUOBHZFNB-HXUWFJFHSA-N 1 2 346.421 3.994 20 10 EHCDLO COC(=O)C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(C)ccc1O ZINC000768910198 1133202308 /nfs/dbraw/zinc/20/23/08/1133202308.db2.gz NAZUOFMXHNYFSA-UHFFFAOYSA-N 1 2 333.815 3.529 20 10 EHCDLO COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(C)ccc1O ZINC000768910198 1133202314 /nfs/dbraw/zinc/20/23/14/1133202314.db2.gz NAZUOFMXHNYFSA-UHFFFAOYSA-N 1 2 333.815 3.529 20 10 EHCDLO C[N@H+](CCc1ccc(F)cc1)Cc1cccc(Br)c1O ZINC000768920102 1133203705 /nfs/dbraw/zinc/20/37/05/1133203705.db2.gz HIEMJWRTAHIGBW-UHFFFAOYSA-N 1 2 338.220 3.968 20 10 EHCDLO C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(Br)c1O ZINC000768920102 1133203709 /nfs/dbraw/zinc/20/37/09/1133203709.db2.gz HIEMJWRTAHIGBW-UHFFFAOYSA-N 1 2 338.220 3.968 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](c1ccccc1)N(C)C ZINC000770666261 1133456691 /nfs/dbraw/zinc/45/66/91/1133456691.db2.gz KKOWMQVYTQVBFR-YVEFUNNKSA-N 1 2 336.838 3.966 20 10 EHCDLO O=C(OCCn1cc[nH+]c1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000771873954 1133604198 /nfs/dbraw/zinc/60/41/98/1133604198.db2.gz HMKLGZIBISWWKM-UHFFFAOYSA-N 1 2 336.351 3.861 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cc(Cl)c(Cl)cc1O ZINC000774124586 1133617762 /nfs/dbraw/zinc/61/77/62/1133617762.db2.gz VNHCZIYGYVUHQA-COLVAYQJSA-N 1 2 329.271 3.976 20 10 EHCDLO CC[C@@]1(C)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000785984139 1133789266 /nfs/dbraw/zinc/78/92/66/1133789266.db2.gz GGFNRWLMZUQICY-IBGZPJMESA-N 1 2 347.459 3.586 20 10 EHCDLO CC[C@@]1(C)C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000785984139 1133789272 /nfs/dbraw/zinc/78/92/72/1133789272.db2.gz GGFNRWLMZUQICY-IBGZPJMESA-N 1 2 347.459 3.586 20 10 EHCDLO Cc1nc(N(C)Cc2ccc(N3CCCC3)cc2)c2c([nH+]1)CCCC2 ZINC001184711201 1133978403 /nfs/dbraw/zinc/97/84/03/1133978403.db2.gz SAKCIIOJBQDQPQ-UHFFFAOYSA-N 1 2 336.483 3.900 20 10 EHCDLO CCC(O)(CC)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000788260440 1134102615 /nfs/dbraw/zinc/10/26/15/1134102615.db2.gz ANCMSXDMMHADRX-JTQLQIEISA-N 1 2 348.256 3.886 20 10 EHCDLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(Cl)c1O ZINC000775641674 1135381264 /nfs/dbraw/zinc/38/12/64/1135381264.db2.gz CZXLHLKAHDVJJW-UHFFFAOYSA-N 1 2 339.222 3.770 20 10 EHCDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(Cl)c1O ZINC000775641674 1135381267 /nfs/dbraw/zinc/38/12/67/1135381267.db2.gz CZXLHLKAHDVJJW-UHFFFAOYSA-N 1 2 339.222 3.770 20 10 EHCDLO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1O ZINC000806129455 1135395910 /nfs/dbraw/zinc/39/59/10/1135395910.db2.gz GBVACGSKOYKOCZ-CPUCHLNUSA-N 1 2 340.895 3.586 20 10 EHCDLO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1O ZINC000806144354 1135400634 /nfs/dbraw/zinc/40/06/34/1135400634.db2.gz PXUCONXEMWVCRW-SJORKVTESA-N 1 2 344.842 3.892 20 10 EHCDLO COC(=O)c1cc(Nc2ccc([NH2+]C(C)C)cc2)cc(C(=O)OC)c1 ZINC001201498693 1136028651 /nfs/dbraw/zinc/02/86/51/1136028651.db2.gz BRAFAATVBWYGFQ-UHFFFAOYSA-N 1 2 342.395 3.824 20 10 EHCDLO COC1CC(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000850480920 1136266723 /nfs/dbraw/zinc/26/67/23/1136266723.db2.gz CPLAKKKMDPLINN-BMQDGWLCSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@@H]([NH2+]CCc1ccoc1)c1cc(Br)cc(F)c1O ZINC000850531547 1136280115 /nfs/dbraw/zinc/28/01/15/1136280115.db2.gz LPICLEKJODUQKO-SECBINFHSA-N 1 2 328.181 3.780 20 10 EHCDLO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Br)cc(F)c1O ZINC000850536983 1136281362 /nfs/dbraw/zinc/28/13/62/1136281362.db2.gz PUWZHPBYJXBMIL-JVXZTZIISA-N 1 2 338.167 3.990 20 10 EHCDLO COc1ccnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1F ZINC000850537333 1136281635 /nfs/dbraw/zinc/28/16/35/1136281635.db2.gz TVJQSSOQYDKTEO-VIFPVBQESA-N 1 2 344.308 3.805 20 10 EHCDLO CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cccc(Cl)c1O ZINC000850561637 1136286578 /nfs/dbraw/zinc/28/65/78/1136286578.db2.gz KKFXTOCQSGGNHL-MAUKXSAKSA-N 1 2 341.879 3.654 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000854056309 1136584334 /nfs/dbraw/zinc/58/43/34/1136584334.db2.gz FVGXOTYFOFZJRI-UHFFFAOYSA-N 1 2 347.846 3.556 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000854056309 1136584336 /nfs/dbraw/zinc/58/43/36/1136584336.db2.gz FVGXOTYFOFZJRI-UHFFFAOYSA-N 1 2 347.846 3.556 20 10 EHCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000776726890 1136608597 /nfs/dbraw/zinc/60/85/97/1136608597.db2.gz PQFZYQPRBPPMEB-GDNBJRDFSA-N 1 2 342.445 3.804 20 10 EHCDLO CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nc(C2CC2)no1 ZINC000816563427 1136737840 /nfs/dbraw/zinc/73/78/40/1136737840.db2.gz XNYRHENRZTUERM-CQSZACIVSA-N 1 2 339.798 3.932 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](c1ccccc1)N(C)C ZINC000816571139 1136738843 /nfs/dbraw/zinc/73/88/43/1136738843.db2.gz SXJCKBYGCLVFBU-SGTLLEGYSA-N 1 2 336.838 3.966 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000816603388 1136740551 /nfs/dbraw/zinc/74/05/51/1136740551.db2.gz HIRITSUHJZULKJ-UHFFFAOYSA-N 1 2 345.805 3.719 20 10 EHCDLO C[C@H]([NH2+]CCCC1(O)CCC1)c1cc(Br)cc(F)c1O ZINC000817586508 1136825703 /nfs/dbraw/zinc/82/57/03/1136825703.db2.gz PCMQOOGTUNPFCF-JTQLQIEISA-N 1 2 346.240 3.640 20 10 EHCDLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000818344923 1136873392 /nfs/dbraw/zinc/87/33/92/1136873392.db2.gz QUERFLQHHRNJTJ-CQSZACIVSA-N 1 2 345.466 3.587 20 10 EHCDLO CC[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cccc(Cl)c1O ZINC000857878521 1136917410 /nfs/dbraw/zinc/91/74/10/1136917410.db2.gz ZQPFEUUUEZHTQK-IRXDYDNUSA-N 1 2 344.842 3.800 20 10 EHCDLO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000858495414 1136973232 /nfs/dbraw/zinc/97/32/32/1136973232.db2.gz DDLUFOBQHPLGDM-LLVKDONJSA-N 1 2 334.366 3.504 20 10 EHCDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2c(O)cccc2Br)no1 ZINC000862225052 1137133351 /nfs/dbraw/zinc/13/33/51/1137133351.db2.gz OAJOZEIPOFZGDQ-CQSZACIVSA-N 1 2 337.217 3.788 20 10 EHCDLO Cc1cc([C@H]2CCC[N@H+]2Cc2c(O)cccc2Br)no1 ZINC000862225052 1137133352 /nfs/dbraw/zinc/13/33/52/1137133352.db2.gz OAJOZEIPOFZGDQ-CQSZACIVSA-N 1 2 337.217 3.788 20 10 EHCDLO Oc1cc(Br)ccc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000825375511 1137175467 /nfs/dbraw/zinc/17/54/67/1137175467.db2.gz NLIJOKMSIVMUTO-UHFFFAOYSA-N 1 2 348.244 3.762 20 10 EHCDLO CC(C)OC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299647 1137268711 /nfs/dbraw/zinc/26/87/11/1137268711.db2.gz DUVLHLDMMXYUNM-UHFFFAOYSA-N 1 2 346.240 3.683 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1CCSCC1 ZINC000715761834 1137478022 /nfs/dbraw/zinc/47/80/22/1137478022.db2.gz UYISPUJRBHCUMF-UHFFFAOYSA-N 1 2 334.254 3.527 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCC1CC(F)(F)C1 ZINC000883140567 1137846125 /nfs/dbraw/zinc/84/61/25/1137846125.db2.gz XSYFRKZAUIPKAW-UHFFFAOYSA-N 1 2 338.167 3.819 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cccc(Cl)c1O ZINC000886766983 1138136268 /nfs/dbraw/zinc/13/62/68/1138136268.db2.gz WQOKUHDPDLVBPS-VNVHMNPZSA-N 1 2 339.863 3.813 20 10 EHCDLO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccc(C)o1 ZINC000184697388 1140115992 /nfs/dbraw/zinc/11/59/92/1140115992.db2.gz ATSRPBQYEOMTLC-OAHLLOKOSA-N 1 2 337.803 3.627 20 10 EHCDLO CC(C)[N@H+](Cc1ncnn1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000283470401 1141633756 /nfs/dbraw/zinc/63/37/56/1141633756.db2.gz IOHXOPJARNHNOQ-UHFFFAOYSA-N 1 2 329.492 3.510 20 10 EHCDLO CC(C)[N@@H+](Cc1ncnn1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000283470401 1141633758 /nfs/dbraw/zinc/63/37/58/1141633758.db2.gz IOHXOPJARNHNOQ-UHFFFAOYSA-N 1 2 329.492 3.510 20 10 EHCDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000279836395 1044719226 /nfs/dbraw/zinc/71/92/26/1044719226.db2.gz HEFACRINLSAUCG-SECBINFHSA-N 1 2 344.406 3.782 20 10 EHCDLO C[N@H+](Cc1cccc(O)c1)Cc1cc(F)cc(Br)c1O ZINC001235297668 1121454818 /nfs/dbraw/zinc/45/48/18/1121454818.db2.gz OYEPSZFZXRSXOP-UHFFFAOYSA-N 1 2 340.192 3.631 20 10 EHCDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)cc(Br)c1O ZINC001235297668 1121454822 /nfs/dbraw/zinc/45/48/22/1121454822.db2.gz OYEPSZFZXRSXOP-UHFFFAOYSA-N 1 2 340.192 3.631 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccccc1F ZINC000715769198 1129349470 /nfs/dbraw/zinc/34/94/70/1129349470.db2.gz JIYLHKAMXHKOEZ-UHFFFAOYSA-N 1 2 328.156 3.723 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1F ZINC000768892911 1133198013 /nfs/dbraw/zinc/19/80/13/1133198013.db2.gz UCNQNWAAHOEVDV-INIZCTEOSA-N 1 2 330.451 3.775 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1F ZINC000768892911 1133198018 /nfs/dbraw/zinc/19/80/18/1133198018.db2.gz UCNQNWAAHOEVDV-INIZCTEOSA-N 1 2 330.451 3.775 20 10 EHCDLO Oc1c(Br)cccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000769493844 1133300165 /nfs/dbraw/zinc/30/01/65/1133300165.db2.gz WXDSIXZHJMHVIH-UHFFFAOYSA-N 1 2 340.261 3.690 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000769493844 1133300169 /nfs/dbraw/zinc/30/01/69/1133300169.db2.gz WXDSIXZHJMHVIH-UHFFFAOYSA-N 1 2 340.261 3.690 20 10 EHCDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001180612192 1133400070 /nfs/dbraw/zinc/40/00/70/1133400070.db2.gz IKVKLCHYBLTYPQ-UHFFFAOYSA-N 1 2 336.785 3.504 20 10 EHCDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1ccc(Cl)cc1O ZINC001180612192 1133400074 /nfs/dbraw/zinc/40/00/74/1133400074.db2.gz IKVKLCHYBLTYPQ-UHFFFAOYSA-N 1 2 336.785 3.504 20 10 EHCDLO COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001182471373 1133688255 /nfs/dbraw/zinc/68/82/55/1133688255.db2.gz VGWVPSQEWVTQQH-INIZCTEOSA-N 1 2 333.472 3.919 20 10 EHCDLO COC(=O)C(C)(C)CC[N@H+]1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001182471373 1133688258 /nfs/dbraw/zinc/68/82/58/1133688258.db2.gz VGWVPSQEWVTQQH-INIZCTEOSA-N 1 2 333.472 3.919 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000790986281 1134488745 /nfs/dbraw/zinc/48/87/45/1134488745.db2.gz MDNOWVSHCZIXPY-LLVKDONJSA-N 1 2 329.705 3.686 20 10 EHCDLO OCC1(Cc2ccccc2)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775192530 1134500195 /nfs/dbraw/zinc/50/01/95/1134500195.db2.gz LRVSPOGGNBVWIP-UHFFFAOYSA-N 1 2 345.870 3.863 20 10 EHCDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792167399 1134661360 /nfs/dbraw/zinc/66/13/60/1134661360.db2.gz HBYFQOOMIOZOLZ-SNVBAGLBSA-N 1 2 346.830 3.530 20 10 EHCDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792167399 1134661361 /nfs/dbraw/zinc/66/13/61/1134661361.db2.gz HBYFQOOMIOZOLZ-SNVBAGLBSA-N 1 2 346.830 3.530 20 10 EHCDLO COc1ccc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1OC ZINC000792210654 1134672081 /nfs/dbraw/zinc/67/20/81/1134672081.db2.gz PVNNJMCDNSKYHR-UHFFFAOYSA-N 1 2 337.423 3.834 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC001194589008 1135289604 /nfs/dbraw/zinc/28/96/04/1135289604.db2.gz MHUNGZFNIOZEDJ-HNNXBMFYSA-N 1 2 330.394 3.684 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC001194589008 1135289609 /nfs/dbraw/zinc/28/96/09/1135289609.db2.gz MHUNGZFNIOZEDJ-HNNXBMFYSA-N 1 2 330.394 3.684 20 10 EHCDLO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806132240 1135387865 /nfs/dbraw/zinc/38/78/65/1135387865.db2.gz UMRVBVHRFTUUNI-QGZVFWFLSA-N 1 2 346.858 3.745 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806133030 1135388351 /nfs/dbraw/zinc/38/83/51/1135388351.db2.gz FOHZNBSBQOSBTG-YJBOKZPZSA-N 1 2 333.859 3.938 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(Cl)c1O ZINC000806136161 1135390389 /nfs/dbraw/zinc/39/03/89/1135390389.db2.gz TVONKEWWUMWHRS-ZWNOBZJWSA-N 1 2 336.785 3.723 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cccc(Cl)c1O ZINC000806138811 1135391002 /nfs/dbraw/zinc/39/10/02/1135391002.db2.gz CDDNRFXCGBZWGH-IOASZLSFSA-N 1 2 338.879 3.733 20 10 EHCDLO CC[C@H]([NH2+]CCCN1CCCCCC1=O)c1cccc(Cl)c1O ZINC000806128524 1135396458 /nfs/dbraw/zinc/39/64/58/1135396458.db2.gz LCLYEBZJKBQBPI-INIZCTEOSA-N 1 2 338.879 3.879 20 10 EHCDLO CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1C)c1cccc(Cl)c1O ZINC000806160941 1135404124 /nfs/dbraw/zinc/40/41/24/1135404124.db2.gz MEWVXZFTBSRJPP-MAUKXSAKSA-N 1 2 333.859 3.998 20 10 EHCDLO CC[N@H+](Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000775652637 1135423090 /nfs/dbraw/zinc/42/30/90/1135423090.db2.gz OMAYZVHAAOWVGD-UHFFFAOYSA-N 1 2 349.066 3.902 20 10 EHCDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000775652637 1135423091 /nfs/dbraw/zinc/42/30/91/1135423091.db2.gz OMAYZVHAAOWVGD-UHFFFAOYSA-N 1 2 349.066 3.902 20 10 EHCDLO Cc1ncc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000809731596 1135873211 /nfs/dbraw/zinc/87/32/11/1135873211.db2.gz KRIWCRGEAMKIFI-UHFFFAOYSA-N 1 2 336.439 3.646 20 10 EHCDLO Cc1ncc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000809731596 1135873214 /nfs/dbraw/zinc/87/32/14/1135873214.db2.gz KRIWCRGEAMKIFI-UHFFFAOYSA-N 1 2 336.439 3.646 20 10 EHCDLO COCCC[N@H+](Cc1ccncc1)Cc1cc(Cl)cc(F)c1O ZINC000809740507 1135883626 /nfs/dbraw/zinc/88/36/26/1135883626.db2.gz BLDFJZKZGWMAJP-UHFFFAOYSA-N 1 2 338.810 3.618 20 10 EHCDLO COCCC[N@@H+](Cc1ccncc1)Cc1cc(Cl)cc(F)c1O ZINC000809740507 1135883629 /nfs/dbraw/zinc/88/36/29/1135883629.db2.gz BLDFJZKZGWMAJP-UHFFFAOYSA-N 1 2 338.810 3.618 20 10 EHCDLO COc1ccc(C2([NH2+]Cc3cccc(Cl)c3O)CCOCC2)cc1 ZINC000776174841 1136021885 /nfs/dbraw/zinc/02/18/85/1136021885.db2.gz HSOXPKRRRAAEAV-UHFFFAOYSA-N 1 2 347.842 3.850 20 10 EHCDLO CO[C@H](C)c1nc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cs1 ZINC000776232461 1136087474 /nfs/dbraw/zinc/08/74/74/1136087474.db2.gz YIJYAINLAIEMMD-MRVPVSSYSA-N 1 2 330.812 3.638 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518086 1136098372 /nfs/dbraw/zinc/09/83/72/1136098372.db2.gz GJDUANFPMCOCMS-HOCLYGCPSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518086 1136098376 /nfs/dbraw/zinc/09/83/76/1136098376.db2.gz GJDUANFPMCOCMS-HOCLYGCPSA-N 1 2 325.811 3.718 20 10 EHCDLO COc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000776248765 1136105708 /nfs/dbraw/zinc/10/57/08/1136105708.db2.gz OICNPYFLLJXKMT-UHFFFAOYSA-N 1 2 343.757 3.945 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cccc(Cl)c1O ZINC000850503186 1136273564 /nfs/dbraw/zinc/27/35/64/1136273564.db2.gz UZVLPUZGFOTPMI-DGABAQHMSA-N 1 2 329.893 3.776 20 10 EHCDLO C[C@H]([NH2+]CCc1ccoc1)c1cc(Br)c(F)cc1O ZINC000850531026 1136279947 /nfs/dbraw/zinc/27/99/47/1136279947.db2.gz GKHKOCGYINWEKN-VIFPVBQESA-N 1 2 328.181 3.780 20 10 EHCDLO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(Br)cc(F)c1O ZINC000850535218 1136280861 /nfs/dbraw/zinc/28/08/61/1136280861.db2.gz SRRARLVQXNIEAT-FOGDFJRCSA-N 1 2 346.240 3.902 20 10 EHCDLO Cc1cc(C[N@@H+]2CCSC[C@H]2c2nccs2)ccc1N(C)C ZINC000815095159 1136555638 /nfs/dbraw/zinc/55/56/38/1136555638.db2.gz SKPYGGQHYJUBEF-INIZCTEOSA-N 1 2 333.526 3.808 20 10 EHCDLO Cc1cc(C[N@H+]2CCSC[C@H]2c2nccs2)ccc1N(C)C ZINC000815095159 1136555641 /nfs/dbraw/zinc/55/56/41/1136555641.db2.gz SKPYGGQHYJUBEF-INIZCTEOSA-N 1 2 333.526 3.808 20 10 EHCDLO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000815633677 1136619346 /nfs/dbraw/zinc/61/93/46/1136619346.db2.gz UHJPLWHYOKGRQA-IUODEOHRSA-N 1 2 326.868 3.639 20 10 EHCDLO C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1cc(F)cc(F)c1O ZINC000815644447 1136625165 /nfs/dbraw/zinc/62/51/65/1136625165.db2.gz BASSPXUNCABLCE-SECBINFHSA-N 1 2 346.299 3.978 20 10 EHCDLO CN1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H]1c1ccccc1 ZINC000816559592 1136736957 /nfs/dbraw/zinc/73/69/57/1136736957.db2.gz OUIKHAUXCWTFNM-AEFFLSMTSA-N 1 2 334.822 3.720 20 10 EHCDLO CC[C@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1cccc(Cl)c1O ZINC000817588110 1136826775 /nfs/dbraw/zinc/82/67/75/1136826775.db2.gz LWAWCMZMQOGGHT-WFASDCNBSA-N 1 2 327.852 3.670 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015857 1136931301 /nfs/dbraw/zinc/93/13/01/1136931301.db2.gz DHIZAAILQVWYLB-INIZCTEOSA-N 1 2 344.842 3.971 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015857 1136931303 /nfs/dbraw/zinc/93/13/03/1136931303.db2.gz DHIZAAILQVWYLB-INIZCTEOSA-N 1 2 344.842 3.971 20 10 EHCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824643653 1137145860 /nfs/dbraw/zinc/14/58/60/1137145860.db2.gz KNGMOUIWFNPPEC-NXEZZACHSA-N 1 2 346.830 3.576 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000824932090 1137158179 /nfs/dbraw/zinc/15/81/79/1137158179.db2.gz JEMDHWYJMOJZRI-GDBMZVCRSA-N 1 2 336.794 3.590 20 10 EHCDLO C[N@H+](Cc1n[nH]c2ccc(F)cc21)Cc1ccc(N2CCCC2)cc1 ZINC001144199666 1137250542 /nfs/dbraw/zinc/25/05/42/1137250542.db2.gz QDNOCUZTCSDXCJ-UHFFFAOYSA-N 1 2 338.430 3.934 20 10 EHCDLO C[N@@H+](Cc1n[nH]c2ccc(F)cc21)Cc1ccc(N2CCCC2)cc1 ZINC001144199666 1137250543 /nfs/dbraw/zinc/25/05/43/1137250543.db2.gz QDNOCUZTCSDXCJ-UHFFFAOYSA-N 1 2 338.430 3.934 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001144306648 1137270767 /nfs/dbraw/zinc/27/07/67/1137270767.db2.gz KVFMTHZBEDNZLO-QMMMGPOBSA-N 1 2 342.130 3.678 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001144306648 1137270768 /nfs/dbraw/zinc/27/07/68/1137270768.db2.gz KVFMTHZBEDNZLO-QMMMGPOBSA-N 1 2 342.130 3.678 20 10 EHCDLO COc1cccc([C@@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)c1O ZINC000846160164 1137336875 /nfs/dbraw/zinc/33/68/75/1137336875.db2.gz UAEGOINOLMNQAU-CQSZACIVSA-N 1 2 327.428 3.959 20 10 EHCDLO COc1cccc([C@@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)c1O ZINC000846162629 1137337255 /nfs/dbraw/zinc/33/72/55/1137337255.db2.gz MGPHADSWPQUPEO-CQSZACIVSA-N 1 2 327.428 3.959 20 10 EHCDLO C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cc(Br)cc(F)c1O ZINC000846203548 1137341703 /nfs/dbraw/zinc/34/17/03/1137341703.db2.gz HXCSGDHRAPMNTI-VHSXEESVSA-N 1 2 346.240 3.760 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1nc(Cl)cs1)C[C@@H]1CCCO1 ZINC000876532188 1137654621 /nfs/dbraw/zinc/65/46/21/1137654621.db2.gz ZCVKPHBVZQIEMB-ZDUSSCGKSA-N 1 2 338.860 3.683 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1nc(Cl)cs1)C[C@@H]1CCCO1 ZINC000876532188 1137654622 /nfs/dbraw/zinc/65/46/22/1137654622.db2.gz ZCVKPHBVZQIEMB-ZDUSSCGKSA-N 1 2 338.860 3.683 20 10 EHCDLO O=C1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)Oc2ccccc21 ZINC000877589210 1137682202 /nfs/dbraw/zinc/68/22/02/1137682202.db2.gz JIGGDCOOTOOOTH-IBGZPJMESA-N 1 2 343.810 3.656 20 10 EHCDLO O=C1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)Oc2ccccc21 ZINC000877589210 1137682203 /nfs/dbraw/zinc/68/22/03/1137682203.db2.gz JIGGDCOOTOOOTH-IBGZPJMESA-N 1 2 343.810 3.656 20 10 EHCDLO Oc1c(F)cc(F)cc1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000883088261 1137844292 /nfs/dbraw/zinc/84/42/92/1137844292.db2.gz YIMVKGOMIOXNIO-UHFFFAOYSA-N 1 2 333.378 3.590 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000091081360 1138216020 /nfs/dbraw/zinc/21/60/20/1138216020.db2.gz ZSGGIKXOYXUYLS-MRXNPFEDSA-N 1 2 347.846 3.925 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000091081360 1138216021 /nfs/dbraw/zinc/21/60/21/1138216021.db2.gz ZSGGIKXOYXUYLS-MRXNPFEDSA-N 1 2 347.846 3.925 20 10 EHCDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(Cl)c1O ZINC000180049873 1139804463 /nfs/dbraw/zinc/80/44/63/1139804463.db2.gz CIBNGPFRBOFNOK-UHFFFAOYSA-N 1 2 346.858 3.770 20 10 EHCDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(Cl)c1O ZINC000180049873 1139804473 /nfs/dbraw/zinc/80/44/73/1139804473.db2.gz CIBNGPFRBOFNOK-UHFFFAOYSA-N 1 2 346.858 3.770 20 10 EHCDLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(F)cc1O ZINC000184959533 1032347093 /nfs/dbraw/zinc/34/70/93/1032347093.db2.gz INDUUJQCBVOZPF-KZULUSFZSA-N 1 2 343.377 3.844 20 10 EHCDLO CC[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(Cl)c1O ZINC000376834704 1017155254 /nfs/dbraw/zinc/15/52/54/1017155254.db2.gz OWIYNDGNYHHCBE-LRDDRELGSA-N 1 2 349.837 3.899 20 10 EHCDLO COc1cc2c(c(C[NH2+]Cc3cccc(Cl)c3O)c1)O[C@@H](C)C2 ZINC000898219810 1033375393 /nfs/dbraw/zinc/37/53/93/1033375393.db2.gz MKTTYVXYAPQWST-NSHDSACASA-N 1 2 333.815 3.667 20 10 EHCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000529670297 1034398008 /nfs/dbraw/zinc/39/80/08/1034398008.db2.gz RVCFKMPAUAGLRP-UHFFFAOYSA-N 1 2 341.842 3.849 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)c1O ZINC000761202959 1034407530 /nfs/dbraw/zinc/40/75/30/1034407530.db2.gz GRTJMRAEXGUOON-UHFFFAOYSA-N 1 2 339.769 3.891 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+]2CCc3c(F)cc(F)cc3C2)c1O ZINC000761202959 1034407536 /nfs/dbraw/zinc/40/75/36/1034407536.db2.gz GRTJMRAEXGUOON-UHFFFAOYSA-N 1 2 339.769 3.891 20 10 EHCDLO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072700 1035263316 /nfs/dbraw/zinc/26/33/16/1035263316.db2.gz NPJOVTQZRWNNQS-SNVBAGLBSA-N 1 2 326.227 3.802 20 10 EHCDLO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072700 1035263320 /nfs/dbraw/zinc/26/33/20/1035263320.db2.gz NPJOVTQZRWNNQS-SNVBAGLBSA-N 1 2 326.227 3.802 20 10 EHCDLO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756532772 1040072301 /nfs/dbraw/zinc/07/23/01/1040072301.db2.gz FQBOUVCHDQMQAD-WDEREUQCSA-N 1 2 347.272 3.675 20 10 EHCDLO CCOc1cccc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1O ZINC000184971808 1126724429 /nfs/dbraw/zinc/72/44/29/1126724429.db2.gz TUAWWSOLYWFSPE-OAHLLOKOSA-N 1 2 346.496 3.731 20 10 EHCDLO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cc(F)cc(F)c1O ZINC000765810902 1128427984 /nfs/dbraw/zinc/42/79/84/1128427984.db2.gz SVUGKCCMZKREDE-QGHHPUGFSA-N 1 2 341.785 3.882 20 10 EHCDLO c1ccc2c(c1)[nH+]c(NCc1ccc(N3CCOCC3)cc1)n2C1CC1 ZINC000763425005 1122732073 /nfs/dbraw/zinc/73/20/73/1122732073.db2.gz HWFWUTOPWZXQFW-UHFFFAOYSA-N 1 2 348.450 3.820 20 10 EHCDLO CC(C)c1cnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000733310764 1131021268 /nfs/dbraw/zinc/02/12/68/1131021268.db2.gz VWQZMABCCSWVAP-MRXNPFEDSA-N 1 2 330.428 3.685 20 10 EHCDLO CC(C)c1cnc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000733310764 1131021273 /nfs/dbraw/zinc/02/12/73/1131021273.db2.gz VWQZMABCCSWVAP-MRXNPFEDSA-N 1 2 330.428 3.685 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2csc(COC)n2)cc1 ZINC000743839575 1131982957 /nfs/dbraw/zinc/98/29/57/1131982957.db2.gz MGJRAVMSCRTQHK-UHFFFAOYSA-N 1 2 333.501 3.768 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2csc(COC)n2)cc1 ZINC000743839575 1131982963 /nfs/dbraw/zinc/98/29/63/1131982963.db2.gz MGJRAVMSCRTQHK-UHFFFAOYSA-N 1 2 333.501 3.768 20 10 EHCDLO CC1([NH2+]Cc2cccc(Br)c2O)Cc2ccccc2C1 ZINC000768661229 1133166992 /nfs/dbraw/zinc/16/69/92/1133166992.db2.gz AXOQVZBFEYMZSZ-UHFFFAOYSA-N 1 2 332.241 3.802 20 10 EHCDLO Oc1cc(F)c(F)cc1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001180042724 1133320517 /nfs/dbraw/zinc/32/05/17/1133320517.db2.gz IIAFFWRNWJEONR-DAXSKMNVSA-N 1 2 344.405 3.501 20 10 EHCDLO CCC1(CC)[C@H]([NH2+]Cc2cccc(Br)c2O)C[C@@H]1OC ZINC001181465296 1133490520 /nfs/dbraw/zinc/49/05/20/1133490520.db2.gz WIQDAJIWRBBGQF-KGLIPLIRSA-N 1 2 342.277 3.838 20 10 EHCDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)c(Cl)cc1O ZINC001184264527 1133917544 /nfs/dbraw/zinc/91/75/44/1133917544.db2.gz DVOSLYJDPZAQBE-UHFFFAOYSA-N 1 2 328.195 3.703 20 10 EHCDLO COc1c(O)c(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774910530 1134117059 /nfs/dbraw/zinc/11/70/59/1134117059.db2.gz YCPBBQIKGMBPMM-CQSZACIVSA-N 1 2 348.786 3.909 20 10 EHCDLO COc1c(O)c(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774910530 1134117062 /nfs/dbraw/zinc/11/70/62/1134117062.db2.gz YCPBBQIKGMBPMM-CQSZACIVSA-N 1 2 348.786 3.909 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000805747005 1135317701 /nfs/dbraw/zinc/31/77/01/1135317701.db2.gz PHLKUCSZMRLOHM-QGZVFWFLSA-N 1 2 330.815 3.980 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000805747005 1135317705 /nfs/dbraw/zinc/31/77/05/1135317705.db2.gz PHLKUCSZMRLOHM-QGZVFWFLSA-N 1 2 330.815 3.980 20 10 EHCDLO CC[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc(Cl)c1O ZINC000806137779 1135389950 /nfs/dbraw/zinc/38/99/50/1135389950.db2.gz NWYVWKRYBBDTLP-KRWDZBQOSA-N 1 2 342.830 3.867 20 10 EHCDLO CC[C@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1cccc(Cl)c1O ZINC000806141644 1135400038 /nfs/dbraw/zinc/40/00/38/1135400038.db2.gz UXTJHSPHUOJJKC-KRWDZBQOSA-N 1 2 346.858 3.689 20 10 EHCDLO CC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc(Cl)c1O ZINC000806152815 1135402431 /nfs/dbraw/zinc/40/24/31/1135402431.db2.gz UZRILQZEBYSAPM-MRXNPFEDSA-N 1 2 347.846 3.840 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806162994 1135404937 /nfs/dbraw/zinc/40/49/37/1135404937.db2.gz KUTLGBXOOCLDRJ-RISCZKNCSA-N 1 2 342.867 4.000 20 10 EHCDLO CC[C@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1cccc(Cl)c1O ZINC000806161522 1135405128 /nfs/dbraw/zinc/40/51/28/1135405128.db2.gz QYUKQIPKPDJIJB-YJBOKZPZSA-N 1 2 333.859 3.998 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC001203922227 1135868320 /nfs/dbraw/zinc/86/83/20/1135868320.db2.gz NJRJBKHLSLPJJD-UHFFFAOYSA-N 1 2 346.858 3.679 20 10 EHCDLO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000810244486 1135947952 /nfs/dbraw/zinc/94/79/52/1135947952.db2.gz FGTMEJMQUAJMAQ-WDEREUQCSA-N 1 2 347.272 3.673 20 10 EHCDLO COc1cc(CNc2ccc(N(C)C)c[nH+]2)c(O)c(C(C)(C)C)c1 ZINC001201180589 1135992541 /nfs/dbraw/zinc/99/25/41/1135992541.db2.gz YLLCPTXBPIMWCT-UHFFFAOYSA-N 1 2 329.444 3.771 20 10 EHCDLO COC(=O)c1cc(O)c(OC)cc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201498223 1136029061 /nfs/dbraw/zinc/02/90/61/1136029061.db2.gz VOXMZNTUDHPUEK-UHFFFAOYSA-N 1 2 330.384 3.751 20 10 EHCDLO COC(=O)c1cccc(Nc2ccc([NH2+]C(C)C)cc2)c1C(=O)OC ZINC001201497899 1136029162 /nfs/dbraw/zinc/02/91/62/1136029162.db2.gz OIWGRKOVOVCGOQ-UHFFFAOYSA-N 1 2 342.395 3.824 20 10 EHCDLO CC1(C)C[N@H+](Cc2cccc(Br)c2O)[C@H]1[C@@H]1CCCO1 ZINC000811511102 1136102056 /nfs/dbraw/zinc/10/20/56/1136102056.db2.gz VAGZIJFNISCILU-ZFWWWQNUSA-N 1 2 340.261 3.544 20 10 EHCDLO CC1(C)C[N@@H+](Cc2cccc(Br)c2O)[C@H]1[C@@H]1CCCO1 ZINC000811511102 1136102059 /nfs/dbraw/zinc/10/20/59/1136102059.db2.gz VAGZIJFNISCILU-ZFWWWQNUSA-N 1 2 340.261 3.544 20 10 EHCDLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000812298193 1136195935 /nfs/dbraw/zinc/19/59/35/1136195935.db2.gz SLVFVVRZIWIXKT-UHFFFAOYSA-N 1 2 348.450 3.563 20 10 EHCDLO CO[C@](C)(C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)C1CC1 ZINC000812734879 1136239430 /nfs/dbraw/zinc/23/94/30/1136239430.db2.gz UFBCPUYBFDWVMV-RFAUZJTJSA-N 1 2 346.240 3.760 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000816496002 1136725665 /nfs/dbraw/zinc/72/56/65/1136725665.db2.gz RWIQXDQLZNZSQI-CQSZACIVSA-N 1 2 339.794 3.959 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000816496002 1136725666 /nfs/dbraw/zinc/72/56/66/1136725666.db2.gz RWIQXDQLZNZSQI-CQSZACIVSA-N 1 2 339.794 3.959 20 10 EHCDLO CN(CCC[NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C ZINC000816548139 1136732089 /nfs/dbraw/zinc/73/20/89/1136732089.db2.gz WNMJGWLVHOKCIO-UHFFFAOYSA-N 1 2 346.830 3.531 20 10 EHCDLO CC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)NC(=O)OC(C)(C)C ZINC000824667084 1137147364 /nfs/dbraw/zinc/14/73/64/1137147364.db2.gz RNXWISZKKQDWLI-GFCCVEGCSA-N 1 2 346.830 3.578 20 10 EHCDLO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1c(F)cc(O)cc1F ZINC001144554899 1137308733 /nfs/dbraw/zinc/30/87/33/1137308733.db2.gz LKGRDWCERBPRFM-UHFFFAOYSA-N 1 2 332.394 3.903 20 10 EHCDLO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1c(F)cc(O)cc1F ZINC001144554899 1137308734 /nfs/dbraw/zinc/30/87/34/1137308734.db2.gz LKGRDWCERBPRFM-UHFFFAOYSA-N 1 2 332.394 3.903 20 10 EHCDLO C[C@@H]1CN(c2ccc(NCc3c(O)cccc3Cl)c[nH+]2)C[C@@H](C)O1 ZINC000772940809 1137356740 /nfs/dbraw/zinc/35/67/40/1137356740.db2.gz XBIADCOSUWIZQF-CHWSQXEVSA-N 1 2 347.846 3.666 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccns1 ZINC000715745052 1137477743 /nfs/dbraw/zinc/47/77/43/1137477743.db2.gz JMYJZWJAZNJQTH-ZETCQYMHSA-N 1 2 331.210 3.601 20 10 EHCDLO CCn1nc(C)c(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)c1C ZINC000877663609 1137684844 /nfs/dbraw/zinc/68/48/44/1137684844.db2.gz DFGRHLJBBTXFOX-UHFFFAOYSA-N 1 2 325.815 3.650 20 10 EHCDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)c1C ZINC000877663609 1137684845 /nfs/dbraw/zinc/68/48/45/1137684845.db2.gz DFGRHLJBBTXFOX-UHFFFAOYSA-N 1 2 325.815 3.650 20 10 EHCDLO C[N@H+](Cc1nccn1CC(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000877921118 1137695761 /nfs/dbraw/zinc/69/57/61/1137695761.db2.gz COFZHHHIIRPZFM-UHFFFAOYSA-N 1 2 348.441 3.771 20 10 EHCDLO C[N@@H+](Cc1nccn1CC(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000877921118 1137695762 /nfs/dbraw/zinc/69/57/62/1137695762.db2.gz COFZHHHIIRPZFM-UHFFFAOYSA-N 1 2 348.441 3.771 20 10 EHCDLO CC1(C)C[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000883140307 1137846114 /nfs/dbraw/zinc/84/61/14/1137846114.db2.gz PIIROSSKCGXUFD-SNVBAGLBSA-N 1 2 346.240 3.589 20 10 EHCDLO C[C@]1(CC[NH2+]Cc2cc(Br)cc(F)c2O)CC1(F)F ZINC000883174487 1137847170 /nfs/dbraw/zinc/84/71/70/1137847170.db2.gz LGOIRSBXJSUTEK-LBPRGKRZSA-N 1 2 338.167 3.819 20 10 EHCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(Cl)c1O ZINC000179617133 1139769614 /nfs/dbraw/zinc/76/96/14/1139769614.db2.gz XJSSDAZYVMCHBZ-UHFFFAOYSA-N 1 2 346.858 3.514 20 10 EHCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(Cl)c1O ZINC000179617133 1139769618 /nfs/dbraw/zinc/76/96/18/1139769618.db2.gz XJSSDAZYVMCHBZ-UHFFFAOYSA-N 1 2 346.858 3.514 20 10 EHCDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894448308 1022296496 /nfs/dbraw/zinc/29/64/96/1022296496.db2.gz FMKGTWVLSZTCKV-JTQLQIEISA-N 1 2 339.208 3.882 20 10 EHCDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894448308 1022296501 /nfs/dbraw/zinc/29/65/01/1022296501.db2.gz FMKGTWVLSZTCKV-JTQLQIEISA-N 1 2 339.208 3.882 20 10 EHCDLO Cc1ccc(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)nc1 ZINC000894540456 1022511577 /nfs/dbraw/zinc/51/15/77/1022511577.db2.gz JJOLTAGCWGTONT-UHFFFAOYSA-N 1 2 339.208 3.629 20 10 EHCDLO Cc1ccc(C[N@H+](C)Cc2cc(Br)cc(F)c2O)nc1 ZINC000894540456 1022511599 /nfs/dbraw/zinc/51/15/99/1022511599.db2.gz JJOLTAGCWGTONT-UHFFFAOYSA-N 1 2 339.208 3.629 20 10 EHCDLO COc1cc(Br)cc([C@@H](C)[NH2+]C2(C(F)F)CC2)c1O ZINC000848548757 1025918442 /nfs/dbraw/zinc/91/84/42/1025918442.db2.gz KMLCYVRRJBOJKU-SSDOTTSWSA-N 1 2 336.176 3.612 20 10 EHCDLO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000721837172 1025957275 /nfs/dbraw/zinc/95/72/75/1025957275.db2.gz LHOHAPBQINDLJW-OCCSQVGLSA-N 1 2 342.277 3.838 20 10 EHCDLO Cc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c(C)n1-c1ccc(F)cc1 ZINC000896926510 1026060682 /nfs/dbraw/zinc/06/06/82/1026060682.db2.gz CXRGPYZQUSGQSL-UHFFFAOYSA-N 1 2 340.402 3.503 20 10 EHCDLO CC(C)(C)OCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708074989 1026699004 /nfs/dbraw/zinc/69/90/04/1026699004.db2.gz FQWYASBVYJDJPZ-UHFFFAOYSA-N 1 2 336.657 3.713 20 10 EHCDLO CC[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cccc(Cl)c1O ZINC000841764650 1029627772 /nfs/dbraw/zinc/62/77/72/1029627772.db2.gz YIDDLUGNINMHIX-HNNXBMFYSA-N 1 2 341.879 3.654 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000898216027 1033373221 /nfs/dbraw/zinc/37/32/21/1033373221.db2.gz UCIPKGBPDLKXIC-INIZCTEOSA-N 1 2 333.815 3.503 20 10 EHCDLO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000898214547 1033374008 /nfs/dbraw/zinc/37/40/08/1033374008.db2.gz DAZAHEFKNWMGMU-CYBMUJFWSA-N 1 2 335.831 3.749 20 10 EHCDLO COc1cccc([C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)OC)c1 ZINC000529637485 1034323116 /nfs/dbraw/zinc/32/31/16/1034323116.db2.gz AZSAROMJYZSIET-INIZCTEOSA-N 1 2 339.794 3.671 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nc(Cc2ccccc2)no1 ZINC000893975272 1039910418 /nfs/dbraw/zinc/91/04/18/1039910418.db2.gz BCEYUNBUOHXWIS-OAHLLOKOSA-N 1 2 349.434 3.836 20 10 EHCDLO COc1c(O)c(CNc2ccc([NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000278907832 1042904031 /nfs/dbraw/zinc/90/40/31/1042904031.db2.gz SCXHTEMJHJIHJT-UHFFFAOYSA-N 1 2 343.383 3.521 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cc(Br)cc(F)c1O ZINC000842926997 1127667168 /nfs/dbraw/zinc/66/71/68/1127667168.db2.gz BZWJEVOHCRPHGB-YVZVNANGSA-N 1 2 334.254 3.838 20 10 EHCDLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc(N2CCOCC2)cc1 ZINC000921593836 1127755661 /nfs/dbraw/zinc/75/56/61/1127755661.db2.gz UJLNSWQQNKDYMP-OAHLLOKOSA-N 1 2 343.471 3.660 20 10 EHCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1ncn(C2CC2)c1=S ZINC000917411354 1122599637 /nfs/dbraw/zinc/59/96/37/1122599637.db2.gz NZFOUYJWPJAWLJ-UHFFFAOYSA-N 1 2 345.516 3.683 20 10 EHCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1ncn(C2CC2)c1=S ZINC000917411354 1122599640 /nfs/dbraw/zinc/59/96/40/1122599640.db2.gz NZFOUYJWPJAWLJ-UHFFFAOYSA-N 1 2 345.516 3.683 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1C(C)C ZINC000744442083 1132100612 /nfs/dbraw/zinc/10/06/12/1132100612.db2.gz DPDWKNJYWGOYOX-MLGOLLRUSA-N 1 2 331.378 3.976 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1C(C)C ZINC000744442083 1132100615 /nfs/dbraw/zinc/10/06/15/1132100615.db2.gz DPDWKNJYWGOYOX-MLGOLLRUSA-N 1 2 331.378 3.976 20 10 EHCDLO C[N@H+](CCC[NH2+]Cc1c(O)ccc(Cl)c1F)C1CCCCC1 ZINC001177066447 1133027588 /nfs/dbraw/zinc/02/75/88/1133027588.db2.gz ZTRWTZCACNURMT-UHFFFAOYSA-N 1 2 328.859 3.929 20 10 EHCDLO C[N@@H+](CCC[NH2+]Cc1c(O)ccc(Cl)c1F)C1CCCCC1 ZINC001177066447 1133027591 /nfs/dbraw/zinc/02/75/91/1133027591.db2.gz ZTRWTZCACNURMT-UHFFFAOYSA-N 1 2 328.859 3.929 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000773747059 1133178676 /nfs/dbraw/zinc/17/86/76/1133178676.db2.gz DGRYQTAOIMTDQW-FQEVSTJZSA-N 1 2 328.431 3.855 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000773747059 1133178680 /nfs/dbraw/zinc/17/86/80/1133178680.db2.gz DGRYQTAOIMTDQW-FQEVSTJZSA-N 1 2 328.431 3.855 20 10 EHCDLO Oc1ccc(Cl)c(F)c1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001179193961 1133237300 /nfs/dbraw/zinc/23/73/00/1133237300.db2.gz ONVFZFKHLWIXDB-LBPRGKRZSA-N 1 2 326.843 3.681 20 10 EHCDLO Oc1ccc(Cl)c(F)c1CN[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001179193961 1133237307 /nfs/dbraw/zinc/23/73/07/1133237307.db2.gz ONVFZFKHLWIXDB-LBPRGKRZSA-N 1 2 326.843 3.681 20 10 EHCDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(F)c2O)C12CCC2 ZINC001180133222 1133328611 /nfs/dbraw/zinc/32/86/11/1133328611.db2.gz RZZQZICNDHBHOU-HUUCEWRRSA-N 1 2 327.827 3.964 20 10 EHCDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2O)C12CCC2 ZINC001180133222 1133328616 /nfs/dbraw/zinc/32/86/16/1133328616.db2.gz RZZQZICNDHBHOU-HUUCEWRRSA-N 1 2 327.827 3.964 20 10 EHCDLO Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)c(O)c1 ZINC001180322595 1133360866 /nfs/dbraw/zinc/36/08/66/1133360866.db2.gz KFFYAPKOTGFCRF-GOSISDBHSA-N 1 2 341.451 3.743 20 10 EHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCc1[nH]cc[nH+]1 ZINC000774089790 1133600864 /nfs/dbraw/zinc/60/08/64/1133600864.db2.gz QIXRXFZAQOWUTJ-INIZCTEOSA-N 1 2 349.434 3.838 20 10 EHCDLO COc1c(O)c(C[N@H+](Cc2ccccc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000774821566 1134031701 /nfs/dbraw/zinc/03/17/01/1134031701.db2.gz SEPJZEKETBTNGM-UHFFFAOYSA-N 1 2 346.358 3.613 20 10 EHCDLO COc1c(O)c(C[N@@H+](Cc2ccccc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000774821566 1134031709 /nfs/dbraw/zinc/03/17/09/1134031709.db2.gz SEPJZEKETBTNGM-UHFFFAOYSA-N 1 2 346.358 3.613 20 10 EHCDLO C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(Br)c(F)cc1O ZINC000790497189 1134425841 /nfs/dbraw/zinc/42/58/41/1134425841.db2.gz LMGSMOLYWGIHNM-IUCAKERBSA-N 1 2 334.254 3.698 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1cc(F)cc(F)c1O ZINC000793574523 1134960205 /nfs/dbraw/zinc/96/02/05/1134960205.db2.gz ZMXRENWYXRXZJM-CYBMUJFWSA-N 1 2 343.377 3.766 20 10 EHCDLO CC[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1cccc(Cl)c1O ZINC000806129337 1135395958 /nfs/dbraw/zinc/39/59/58/1135395958.db2.gz DWNAQCQNKMJJOL-MRXNPFEDSA-N 1 2 332.831 3.646 20 10 EHCDLO CC[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cccc(Cl)c1O ZINC000806129617 1135396178 /nfs/dbraw/zinc/39/61/78/1135396178.db2.gz YZMJMRYTWMAXGR-WFASDCNBSA-N 1 2 333.815 3.926 20 10 EHCDLO CC[C@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1cccc(Cl)c1O ZINC000806162215 1135405950 /nfs/dbraw/zinc/40/59/50/1135405950.db2.gz YLSNVVVMBYNNQS-YJBOKZPZSA-N 1 2 333.859 3.998 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000775737727 1135600314 /nfs/dbraw/zinc/60/03/14/1135600314.db2.gz RLSWZKGVUMLHJQ-QGZVFWFLSA-N 1 2 331.843 3.879 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000775737727 1135600316 /nfs/dbraw/zinc/60/03/16/1135600316.db2.gz RLSWZKGVUMLHJQ-QGZVFWFLSA-N 1 2 331.843 3.879 20 10 EHCDLO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c1O ZINC000808713994 1135720360 /nfs/dbraw/zinc/72/03/60/1135720360.db2.gz VWQXGANDVFADBI-LBPRGKRZSA-N 1 2 342.830 3.990 20 10 EHCDLO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2nc(-c3ccccc3)n[nH]2)c1O ZINC000808713994 1135720362 /nfs/dbraw/zinc/72/03/62/1135720362.db2.gz VWQXGANDVFADBI-LBPRGKRZSA-N 1 2 342.830 3.990 20 10 EHCDLO COc1ccc2[nH]cc(CC[NH2+]Cc3cccc(Cl)c3O)c2c1 ZINC000776175507 1136021524 /nfs/dbraw/zinc/02/15/24/1136021524.db2.gz NRDHHIGAABTNIV-UHFFFAOYSA-N 1 2 330.815 3.868 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc([S@](C)=O)cc1 ZINC000776253111 1136102005 /nfs/dbraw/zinc/10/20/05/1136102005.db2.gz RZKHEQAOIJPYNW-STFLBKPXSA-N 1 2 341.835 3.773 20 10 EHCDLO Oc1ccc2c(c1CNc1cc(N3CCCCC3)nc[nH+]1)CCCC2 ZINC000811808232 1136139824 /nfs/dbraw/zinc/13/98/24/1136139824.db2.gz AKJXSIIJZGPGQS-UHFFFAOYSA-N 1 2 338.455 3.663 20 10 EHCDLO Oc1ccc2c(c1CNc1cc(N3CCCCC3)[nH+]cn1)CCCC2 ZINC000811808232 1136139826 /nfs/dbraw/zinc/13/98/26/1136139826.db2.gz AKJXSIIJZGPGQS-UHFFFAOYSA-N 1 2 338.455 3.663 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001202475139 1136183301 /nfs/dbraw/zinc/18/33/01/1136183301.db2.gz OTUGVMHMJHSTHS-UHFFFAOYSA-N 1 2 334.700 3.888 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000850409231 1136252171 /nfs/dbraw/zinc/25/21/71/1136252171.db2.gz OGUFFDYSHFUMLR-NUEKZKHPSA-N 1 2 348.215 3.722 20 10 EHCDLO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Br)c(F)cc1O ZINC000850537114 1136281435 /nfs/dbraw/zinc/28/14/35/1136281435.db2.gz RCCZCKOTBBQCEP-JMCQJSRRSA-N 1 2 338.167 3.990 20 10 EHCDLO C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(F)cc(F)c1O ZINC000850531798 1136280151 /nfs/dbraw/zinc/28/01/51/1136280151.db2.gz NSNKILPVYAOIJW-INWMFGNUSA-N 1 2 333.378 3.894 20 10 EHCDLO C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000850577711 1136291191 /nfs/dbraw/zinc/29/11/91/1136291191.db2.gz GWWJWXLGGBADSA-CJNGLKHVSA-N 1 2 332.394 3.596 20 10 EHCDLO C[N@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc2ccccc2c1O ZINC000816491489 1136724754 /nfs/dbraw/zinc/72/47/54/1136724754.db2.gz NSCIFCYUMXFNCH-UHFFFAOYSA-N 1 2 344.418 3.758 20 10 EHCDLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc2ccccc2c1O ZINC000816491489 1136724755 /nfs/dbraw/zinc/72/47/55/1136724755.db2.gz NSCIFCYUMXFNCH-UHFFFAOYSA-N 1 2 344.418 3.758 20 10 EHCDLO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)c(F)cc1O ZINC000857082459 1136842506 /nfs/dbraw/zinc/84/25/06/1136842506.db2.gz VREVIVJWFDDXSZ-YUMQZZPRSA-N 1 2 338.167 3.990 20 10 EHCDLO C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817950836 1136850526 /nfs/dbraw/zinc/85/05/26/1136850526.db2.gz ZWYLMXIGDRYSBN-ONGXEEELSA-N 1 2 347.684 3.601 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015858 1136931596 /nfs/dbraw/zinc/93/15/96/1136931596.db2.gz DHIZAAILQVWYLB-MRXNPFEDSA-N 1 2 344.842 3.971 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015858 1136931598 /nfs/dbraw/zinc/93/15/98/1136931598.db2.gz DHIZAAILQVWYLB-MRXNPFEDSA-N 1 2 344.842 3.971 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccnn1CC1CC1 ZINC000824475104 1137139128 /nfs/dbraw/zinc/13/91/28/1137139128.db2.gz ZBRYUBMNDFJTFL-UHFFFAOYSA-N 1 2 337.423 3.794 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccnn1CC1CC1 ZINC000824475104 1137139130 /nfs/dbraw/zinc/13/91/30/1137139130.db2.gz ZBRYUBMNDFJTFL-UHFFFAOYSA-N 1 2 337.423 3.794 20 10 EHCDLO Oc1cccc(Br)c1C[N@H+](Cc1cccnc1)C1CC1 ZINC000862368485 1137140582 /nfs/dbraw/zinc/14/05/82/1137140582.db2.gz HVOOQMRTIIPHOI-UHFFFAOYSA-N 1 2 333.229 3.714 20 10 EHCDLO Oc1cccc(Br)c1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000862368485 1137140583 /nfs/dbraw/zinc/14/05/83/1137140583.db2.gz HVOOQMRTIIPHOI-UHFFFAOYSA-N 1 2 333.229 3.714 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824695943 1137148678 /nfs/dbraw/zinc/14/86/78/1137148678.db2.gz FEOBNIAEQCAEFU-FVQBIDKESA-N 1 2 327.827 3.700 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824695943 1137148679 /nfs/dbraw/zinc/14/86/79/1137148679.db2.gz FEOBNIAEQCAEFU-FVQBIDKESA-N 1 2 327.827 3.700 20 10 EHCDLO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1n1cccn1 ZINC000825117423 1137166064 /nfs/dbraw/zinc/16/60/64/1137166064.db2.gz CWRUWVMHXZPZDB-BZUAXINKSA-N 1 2 349.862 3.529 20 10 EHCDLO CC(C)Oc1ccc[nH+]c1NCc1cc(Br)ccc1O ZINC001171176207 1137288568 /nfs/dbraw/zinc/28/85/68/1137288568.db2.gz LABCJGMBZJFQSN-UHFFFAOYSA-N 1 2 337.217 3.949 20 10 EHCDLO CC[C@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1cccc(Cl)c1O ZINC000866427537 1137354117 /nfs/dbraw/zinc/35/41/17/1137354117.db2.gz LRIIFXGHZWALPZ-DOMZBBRYSA-N 1 2 327.852 3.876 20 10 EHCDLO CC(C)COC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccco1 ZINC000876994892 1137667335 /nfs/dbraw/zinc/66/73/35/1137667335.db2.gz RWQRLWZALYMSSB-AWEZNQCLSA-N 1 2 325.355 3.767 20 10 EHCDLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703217 1137686493 /nfs/dbraw/zinc/68/64/93/1137686493.db2.gz WKTHDXNEFMFEBR-UHFFFAOYSA-N 1 2 325.437 3.803 20 10 EHCDLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703217 1137686494 /nfs/dbraw/zinc/68/64/94/1137686494.db2.gz WKTHDXNEFMFEBR-UHFFFAOYSA-N 1 2 325.437 3.803 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1scnc1Cl)C[C@@H]1CCCO1 ZINC000878240802 1137708374 /nfs/dbraw/zinc/70/83/74/1137708374.db2.gz LVIQDAUBTVAGPC-ZDUSSCGKSA-N 1 2 338.860 3.683 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1scnc1Cl)C[C@@H]1CCCO1 ZINC000878240802 1137708375 /nfs/dbraw/zinc/70/83/75/1137708375.db2.gz LVIQDAUBTVAGPC-ZDUSSCGKSA-N 1 2 338.860 3.683 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(Cl)c1O ZINC000883361627 1137857487 /nfs/dbraw/zinc/85/74/87/1137857487.db2.gz HYXIKTHWBXNSIG-VHSXEESVSA-N 1 2 347.711 3.645 20 10 EHCDLO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC001649170940 1138020320 /nfs/dbraw/zinc/02/03/20/1138020320.db2.gz HWAFLLXZKIODJU-GUYCJALGSA-N 1 2 332.394 3.596 20 10 EHCDLO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1c(O)cccc1F ZINC000886648471 1138106713 /nfs/dbraw/zinc/10/67/13/1138106713.db2.gz UUHKMIRXCFAHHW-SSDOTTSWSA-N 1 2 331.210 3.601 20 10 EHCDLO Cc1cc(Br)cc(C[N@H+](C)Cc2nccs2)c1O ZINC000180370774 1139829532 /nfs/dbraw/zinc/82/95/32/1139829532.db2.gz HYVFFSNWUXRBGX-UHFFFAOYSA-N 1 2 327.247 3.552 20 10 EHCDLO Cc1cc(Br)cc(C[N@@H+](C)Cc2nccs2)c1O ZINC000180370774 1139829539 /nfs/dbraw/zinc/82/95/39/1139829539.db2.gz HYVFFSNWUXRBGX-UHFFFAOYSA-N 1 2 327.247 3.552 20 10 EHCDLO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000120216613 1014744627 /nfs/dbraw/zinc/74/46/27/1014744627.db2.gz KENNXKYGDKZDFO-ONGXEEELSA-N 1 2 346.240 3.902 20 10 EHCDLO Cc1cc([NH+](C)C)ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000121425024 1021440337 /nfs/dbraw/zinc/44/03/37/1021440337.db2.gz ASSQARQNOZUBBE-UHFFFAOYSA-N 1 2 325.456 3.510 20 10 EHCDLO COc1ccc(C[N@H+](C)Cc2c(F)cccc2Cl)c(O)c1OC ZINC000891482275 1021730881 /nfs/dbraw/zinc/73/08/81/1021730881.db2.gz JNHGKQGMGLRUJP-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO COc1ccc(C[N@@H+](C)Cc2c(F)cccc2Cl)c(O)c1OC ZINC000891482275 1021730895 /nfs/dbraw/zinc/73/08/95/1021730895.db2.gz JNHGKQGMGLRUJP-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000897863172 1033214592 /nfs/dbraw/zinc/21/45/92/1033214592.db2.gz XVPUIBRBHKZLHP-UHFFFAOYSA-N 1 2 331.799 3.596 20 10 EHCDLO CCSCc1ccc[nH+]c1NCc1cc(OC)c(OC)cc1O ZINC000895688935 1024720680 /nfs/dbraw/zinc/72/06/80/1024720680.db2.gz QLFKZLVRTHRVDN-UHFFFAOYSA-N 1 2 334.441 3.670 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000896424084 1025436404 /nfs/dbraw/zinc/43/64/04/1025436404.db2.gz XRLSLCHEESLEOA-BBRMVZONSA-N 1 2 325.742 3.746 20 10 EHCDLO COc1c(O)c(C[N@H+](C)Cc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000278238678 1029771288 /nfs/dbraw/zinc/77/12/88/1029771288.db2.gz NPDCYXPSXCCTOM-UHFFFAOYSA-N 1 2 342.804 3.656 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cccc(Cl)c1O ZINC000528007250 1031576079 /nfs/dbraw/zinc/57/60/79/1031576079.db2.gz YRZDEOMWJWCRBJ-SJORKVTESA-N 1 2 344.842 3.913 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000898215566 1033372607 /nfs/dbraw/zinc/37/26/07/1033372607.db2.gz NWWWIOHKRFJSTR-UHFFFAOYSA-N 1 2 336.766 3.897 20 10 EHCDLO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000898218462 1033373799 /nfs/dbraw/zinc/37/37/99/1033373799.db2.gz HOLGXKXUGQMKEW-NWDGAFQWSA-N 1 2 347.789 3.502 20 10 EHCDLO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000898218463 1033373875 /nfs/dbraw/zinc/37/38/75/1033373875.db2.gz HOLGXKXUGQMKEW-RYUDHWBXSA-N 1 2 347.789 3.502 20 10 EHCDLO COC1([C@@H](C)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000840885091 1036885327 /nfs/dbraw/zinc/88/53/27/1036885327.db2.gz VHHGDEPXQLFNRM-VHSXEESVSA-N 1 2 346.240 3.902 20 10 EHCDLO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000224796117 1037182938 /nfs/dbraw/zinc/18/29/38/1037182938.db2.gz FKVBKGMWNVGAEB-UHFFFAOYSA-N 1 2 340.851 3.535 20 10 EHCDLO CC(C)(C)c1coc(C[NH2+]Cc2cccc(Br)c2O)n1 ZINC000894046777 1040004578 /nfs/dbraw/zinc/00/45/78/1040004578.db2.gz QOEOKNRPCFRLJM-UHFFFAOYSA-N 1 2 339.233 3.730 20 10 EHCDLO Oc1cc2c(cc1C[NH+](Cc1ccco1)Cc1ccco1)OCO2 ZINC000162573639 1040571053 /nfs/dbraw/zinc/57/10/53/1040571053.db2.gz UEPOXGBWTWAKSX-UHFFFAOYSA-N 1 2 327.336 3.509 20 10 EHCDLO C[C@H]([NH2+]CCCOC(F)F)c1cc(Br)cc(F)c1O ZINC000194037146 1041197643 /nfs/dbraw/zinc/19/76/43/1041197643.db2.gz COFQNPRIGVDWAN-ZETCQYMHSA-N 1 2 342.155 3.574 20 10 EHCDLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000765718888 1127737746 /nfs/dbraw/zinc/73/77/46/1127737746.db2.gz LQPAWCRLPMJVIB-CYBMUJFWSA-N 1 2 336.888 3.986 20 10 EHCDLO C[C@H](c1ccsc1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000765718888 1127737750 /nfs/dbraw/zinc/73/77/50/1127737750.db2.gz LQPAWCRLPMJVIB-CYBMUJFWSA-N 1 2 336.888 3.986 20 10 EHCDLO Cc1nc(C2([NH2+]Cc3ccc4c(c3)CCCO4)CCCCC2)no1 ZINC000921644378 1128382793 /nfs/dbraw/zinc/38/27/93/1128382793.db2.gz UQQMNAQVRGHPOX-UHFFFAOYSA-N 1 2 327.428 3.652 20 10 EHCDLO CCC[N@H+](Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC001235064233 1121283560 /nfs/dbraw/zinc/28/35/60/1121283560.db2.gz AJAAMZONRKEFME-UHFFFAOYSA-N 1 2 346.240 3.685 20 10 EHCDLO CCC[N@@H+](Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC001235064233 1121283564 /nfs/dbraw/zinc/28/35/64/1121283564.db2.gz AJAAMZONRKEFME-UHFFFAOYSA-N 1 2 346.240 3.685 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1cc(OC)ccc1O)[C@H](C)c1ccccc1 ZINC000180940613 1124460244 /nfs/dbraw/zinc/46/02/44/1124460244.db2.gz VZEWJYMOPKXVRR-OAHLLOKOSA-N 1 2 343.423 3.527 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1cc(OC)ccc1O)[C@H](C)c1ccccc1 ZINC000180940613 1124460246 /nfs/dbraw/zinc/46/02/46/1124460246.db2.gz VZEWJYMOPKXVRR-OAHLLOKOSA-N 1 2 343.423 3.527 20 10 EHCDLO c1coc(C[NH+]2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000768214007 1133113295 /nfs/dbraw/zinc/11/32/95/1133113295.db2.gz DUQCQZOIMPQKLB-UHFFFAOYSA-N 1 2 339.483 3.588 20 10 EHCDLO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000768235583 1133116587 /nfs/dbraw/zinc/11/65/87/1133116587.db2.gz AIHXAJPKULXMHQ-KRWDZBQOSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1ccc(Br)cc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000768235583 1133116590 /nfs/dbraw/zinc/11/65/90/1133116590.db2.gz AIHXAJPKULXMHQ-KRWDZBQOSA-N 1 2 348.240 3.728 20 10 EHCDLO Cc1cc(Br)c(O)c(CNc2[nH+]c3ccccc3n2C)c1 ZINC001179437178 1133251093 /nfs/dbraw/zinc/25/10/93/1133251093.db2.gz BROWBZBBHWPCKC-UHFFFAOYSA-N 1 2 346.228 3.962 20 10 EHCDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000770322004 1133410464 /nfs/dbraw/zinc/41/04/64/1133410464.db2.gz CGQAUWYDFRAOPD-UHFFFAOYSA-N 1 2 343.652 3.779 20 10 EHCDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001182142228 1133577859 /nfs/dbraw/zinc/57/78/59/1133577859.db2.gz YAUMVEQMIKEMNX-UHFFFAOYSA-N 1 2 331.362 3.726 20 10 EHCDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001182142228 1133577865 /nfs/dbraw/zinc/57/78/65/1133577865.db2.gz YAUMVEQMIKEMNX-UHFFFAOYSA-N 1 2 331.362 3.726 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCN1Cc1ccccc1 ZINC001182344966 1133638794 /nfs/dbraw/zinc/63/87/94/1133638794.db2.gz LPJFURHDLVDYKX-OAHLLOKOSA-N 1 2 330.859 3.752 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCN1Cc1ccccc1 ZINC001182344966 1133638796 /nfs/dbraw/zinc/63/87/96/1133638796.db2.gz LPJFURHDLVDYKX-OAHLLOKOSA-N 1 2 330.859 3.752 20 10 EHCDLO CC(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC001182604081 1133710260 /nfs/dbraw/zinc/71/02/60/1133710260.db2.gz DDDBPPRJQKFAGX-CYBMUJFWSA-N 1 2 327.852 3.749 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C(F)(F)F)c1O ZINC000788671664 1134159855 /nfs/dbraw/zinc/15/98/55/1134159855.db2.gz YMANOSJMYKIDBI-TVQRCGJNSA-N 1 2 325.334 3.862 20 10 EHCDLO C[C@H](O)[C@](C)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)Cc1ccccc1 ZINC000790725481 1134458828 /nfs/dbraw/zinc/45/88/28/1134458828.db2.gz AQTOPNKLVBIVJC-YRVVQQKDSA-N 1 2 349.421 3.951 20 10 EHCDLO CC(C)[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)COc1ccccc1 ZINC000775201609 1134511185 /nfs/dbraw/zinc/51/11/85/1134511185.db2.gz WBNXLJACONWATP-INIZCTEOSA-N 1 2 349.858 3.696 20 10 EHCDLO CC(C)[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)COc1ccccc1 ZINC000775201609 1134511188 /nfs/dbraw/zinc/51/11/88/1134511188.db2.gz WBNXLJACONWATP-INIZCTEOSA-N 1 2 349.858 3.696 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC001194589009 1135289385 /nfs/dbraw/zinc/28/93/85/1135289385.db2.gz MHUNGZFNIOZEDJ-OAHLLOKOSA-N 1 2 330.394 3.684 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC001194589009 1135289389 /nfs/dbraw/zinc/28/93/89/1135289389.db2.gz MHUNGZFNIOZEDJ-OAHLLOKOSA-N 1 2 330.394 3.684 20 10 EHCDLO COc1ccccc1OCC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775655076 1135420552 /nfs/dbraw/zinc/42/05/52/1135420552.db2.gz UNXPNVPERZZCBN-UHFFFAOYSA-N 1 2 339.794 3.704 20 10 EHCDLO COc1ccccc1OCC[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775655076 1135420557 /nfs/dbraw/zinc/42/05/57/1135420557.db2.gz UNXPNVPERZZCBN-UHFFFAOYSA-N 1 2 339.794 3.704 20 10 EHCDLO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000775723062 1135573805 /nfs/dbraw/zinc/57/38/05/1135573805.db2.gz CBXPYGATUCEJLD-INIZCTEOSA-N 1 2 337.822 3.958 20 10 EHCDLO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000775723062 1135573807 /nfs/dbraw/zinc/57/38/07/1135573807.db2.gz CBXPYGATUCEJLD-INIZCTEOSA-N 1 2 337.822 3.958 20 10 EHCDLO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2nonc2C)cc1 ZINC000809744994 1135884241 /nfs/dbraw/zinc/88/42/41/1135884241.db2.gz KDMKNOHFKFIOAZ-UHFFFAOYSA-N 1 2 336.439 3.694 20 10 EHCDLO C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)OCCc2sccc21 ZINC000811513045 1136103024 /nfs/dbraw/zinc/10/30/24/1136103024.db2.gz CQFNDSKVMRTVCC-MRXNPFEDSA-N 1 2 341.835 3.824 20 10 EHCDLO COCC(C)(C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000813883355 1136372437 /nfs/dbraw/zinc/37/24/37/1136372437.db2.gz TYSZWZFUXXEGFN-SECBINFHSA-N 1 2 334.229 3.617 20 10 EHCDLO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)n[nH]1 ZINC000815597050 1136616908 /nfs/dbraw/zinc/61/69/08/1136616908.db2.gz LJFLUYZPNSMSDG-KOLCDFICSA-N 1 2 327.350 3.724 20 10 EHCDLO COc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)c(OC)c1 ZINC000816544121 1136731846 /nfs/dbraw/zinc/73/18/46/1136731846.db2.gz YBXAIZAHASYWLQ-UHFFFAOYSA-N 1 2 339.794 3.534 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cn(-c2ccccc2)nn1 ZINC000816556667 1136736588 /nfs/dbraw/zinc/73/65/88/1136736588.db2.gz RCDHSQDSVFHRKU-LLVKDONJSA-N 1 2 346.793 3.616 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000816569001 1136738227 /nfs/dbraw/zinc/73/82/27/1136738227.db2.gz WBDBVINRGGFWNU-LBPRGKRZSA-N 1 2 329.705 3.686 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000816615995 1136741418 /nfs/dbraw/zinc/74/14/18/1136741418.db2.gz LNOYLYMJVOTOOW-JKSUJKDBSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000816615995 1136741420 /nfs/dbraw/zinc/74/14/20/1136741420.db2.gz LNOYLYMJVOTOOW-JKSUJKDBSA-N 1 2 325.811 3.718 20 10 EHCDLO CCN(CC)c1ccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000817154160 1136782566 /nfs/dbraw/zinc/78/25/66/1136782566.db2.gz HPDYOAKNTRBWOD-UHFFFAOYSA-N 1 2 340.471 3.544 20 10 EHCDLO CN(CCC[NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C ZINC001649150515 1137033563 /nfs/dbraw/zinc/03/35/63/1137033563.db2.gz UCGULMRTHBFBTE-UHFFFAOYSA-N 1 2 346.830 3.531 20 10 EHCDLO Oc1cccc(Br)c1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000862216044 1137132723 /nfs/dbraw/zinc/13/27/23/1137132723.db2.gz QNNAKATYSJMKRT-KRWDZBQOSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1cccc(Br)c1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000862216044 1137132724 /nfs/dbraw/zinc/13/27/24/1137132724.db2.gz QNNAKATYSJMKRT-KRWDZBQOSA-N 1 2 348.240 3.728 20 10 EHCDLO CC[N@H+](Cc1nc(C)c(C)[nH]1)Cc1cc(Br)ccc1O ZINC000862250291 1137135386 /nfs/dbraw/zinc/13/53/86/1137135386.db2.gz HDEOSJRXJDQPQM-UHFFFAOYSA-N 1 2 338.249 3.517 20 10 EHCDLO CC[N@@H+](Cc1nc(C)c(C)[nH]1)Cc1cc(Br)ccc1O ZINC000862250291 1137135387 /nfs/dbraw/zinc/13/53/87/1137135387.db2.gz HDEOSJRXJDQPQM-UHFFFAOYSA-N 1 2 338.249 3.517 20 10 EHCDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2O)no1 ZINC000824576002 1137143352 /nfs/dbraw/zinc/14/33/52/1137143352.db2.gz WXFQONASTDWSDE-AWEZNQCLSA-N 1 2 337.217 3.788 20 10 EHCDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(Br)cc2O)no1 ZINC000824576002 1137143353 /nfs/dbraw/zinc/14/33/53/1137143353.db2.gz WXFQONASTDWSDE-AWEZNQCLSA-N 1 2 337.217 3.788 20 10 EHCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)C1(O)CCCC1 ZINC000825231716 1137170172 /nfs/dbraw/zinc/17/01/72/1137170172.db2.gz FGPPAHMNKDCBIJ-UHFFFAOYSA-N 1 2 342.277 3.576 20 10 EHCDLO C[NH+](C)Cc1cc(NCc2ccc(F)c(F)c2O)ccc1Cl ZINC000864035650 1137212645 /nfs/dbraw/zinc/21/26/45/1137212645.db2.gz DHIHYEMZOVMSBZ-UHFFFAOYSA-N 1 2 326.774 3.998 20 10 EHCDLO F[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000866230078 1137336974 /nfs/dbraw/zinc/33/69/74/1137336974.db2.gz WOYKAQODYATNHW-QUCCMNQESA-N 1 2 326.415 3.848 20 10 EHCDLO CC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc(Cl)c1O ZINC000866531336 1137361907 /nfs/dbraw/zinc/36/19/07/1137361907.db2.gz GISMVHOFRSOTLI-CJNGLKHVSA-N 1 2 339.863 3.672 20 10 EHCDLO CC[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc(Cl)c1O ZINC000866568521 1137365406 /nfs/dbraw/zinc/36/54/06/1137365406.db2.gz WYWZSNACADATGA-LBPRGKRZSA-N 1 2 329.778 3.958 20 10 EHCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC000866597037 1137367853 /nfs/dbraw/zinc/36/78/53/1137367853.db2.gz WKQYANAFNJRLTA-BZNIZROVSA-N 1 2 335.350 3.679 20 10 EHCDLO CC1(c2cc[nH+]c(NCc3cc4ccccc4cc3O)c2)OCCO1 ZINC001171402481 1137472000 /nfs/dbraw/zinc/47/20/00/1137472000.db2.gz NQOKATXTXPQHFZ-UHFFFAOYSA-N 1 2 336.391 3.772 20 10 EHCDLO CCOC1(C)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000715759366 1137478107 /nfs/dbraw/zinc/47/81/07/1137478107.db2.gz MNFSTIFZGQCGIU-UHFFFAOYSA-N 1 2 346.240 3.685 20 10 EHCDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876795609 1137661553 /nfs/dbraw/zinc/66/15/53/1137661553.db2.gz RYJASQQTMVSNEU-RULNZOCKSA-N 1 2 339.407 3.601 20 10 EHCDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876795609 1137661554 /nfs/dbraw/zinc/66/15/54/1137661554.db2.gz RYJASQQTMVSNEU-RULNZOCKSA-N 1 2 339.407 3.601 20 10 EHCDLO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000883081894 1137843947 /nfs/dbraw/zinc/84/39/47/1137843947.db2.gz QUPKPMYZPJODPQ-GXTWGEPZSA-N 1 2 346.240 3.587 20 10 EHCDLO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179794659 1139783506 /nfs/dbraw/zinc/78/35/06/1139783506.db2.gz VYMPYQJEIQKHFY-UHFFFAOYSA-N 1 2 338.879 3.516 20 10 EHCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2noc(-c3ccccc3C)n2)c1 ZINC000182450666 1139973471 /nfs/dbraw/zinc/97/34/71/1139973471.db2.gz OYGUPUWNODLNBD-CYBMUJFWSA-N 1 2 339.395 3.610 20 10 EHCDLO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000120216757 1014745506 /nfs/dbraw/zinc/74/55/06/1014745506.db2.gz KENNXKYGDKZDFO-KOLCDFICSA-N 1 2 346.240 3.902 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000184700191 1032318561 /nfs/dbraw/zinc/31/85/61/1032318561.db2.gz UJZOEUSSQVVFIH-OAHLLOKOSA-N 1 2 339.844 3.689 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000184700191 1032318567 /nfs/dbraw/zinc/31/85/67/1032318567.db2.gz UJZOEUSSQVVFIH-OAHLLOKOSA-N 1 2 339.844 3.689 20 10 EHCDLO Oc1cc(F)c(F)cc1C[NH+](Cc1cccnc1)Cc1cccnc1 ZINC001142520163 1033189256 /nfs/dbraw/zinc/18/92/56/1033189256.db2.gz CIDOKDXABGPVDA-UHFFFAOYSA-N 1 2 341.361 3.663 20 10 EHCDLO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000898218461 1033372992 /nfs/dbraw/zinc/37/29/92/1033372992.db2.gz HOLGXKXUGQMKEW-NEPJUHHUSA-N 1 2 347.789 3.502 20 10 EHCDLO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(Cl)c2O)cc1O ZINC000898218448 1033373546 /nfs/dbraw/zinc/37/35/46/1033373546.db2.gz HHVQBOQVCPBOSA-LBPRGKRZSA-N 1 2 335.831 3.871 20 10 EHCDLO CCN(CC)c1ncc(C[NH2+]Cc2cccc(Cl)c2O)s1 ZINC000898219189 1033375569 /nfs/dbraw/zinc/37/55/69/1033375569.db2.gz CEEPEFWDQFVJPB-UHFFFAOYSA-N 1 2 325.865 3.638 20 10 EHCDLO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1noc(-c2ccccc2)n1 ZINC000185767887 1035529160 /nfs/dbraw/zinc/52/91/60/1035529160.db2.gz CASROEIYJVUKQJ-RYUDHWBXSA-N 1 2 327.359 3.993 20 10 EHCDLO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000224828788 1037194152 /nfs/dbraw/zinc/19/41/52/1037194152.db2.gz UKHCVJXEDSVTQK-ZDUSSCGKSA-N 1 2 340.851 3.535 20 10 EHCDLO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1O ZINC000186952463 1129936546 /nfs/dbraw/zinc/93/65/46/1129936546.db2.gz LGXNGANYIRSHJQ-GOSISDBHSA-N 1 2 349.377 3.561 20 10 EHCDLO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1O ZINC000186952463 1129936552 /nfs/dbraw/zinc/93/65/52/1129936552.db2.gz LGXNGANYIRSHJQ-GOSISDBHSA-N 1 2 349.377 3.561 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2nc(C3CC3)no2)cc1 ZINC000738300616 1131467735 /nfs/dbraw/zinc/46/77/35/1131467735.db2.gz YXJDCYKEYRAKFM-CQSZACIVSA-N 1 2 328.460 3.986 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)c2nc(C3CC3)no2)cc1 ZINC000738300616 1131467739 /nfs/dbraw/zinc/46/77/39/1131467739.db2.gz YXJDCYKEYRAKFM-CQSZACIVSA-N 1 2 328.460 3.986 20 10 EHCDLO Cc1cc(O)c(CNCCC[N@@H+](C)Cc2ccccc2)c(Cl)c1 ZINC001177136761 1133034090 /nfs/dbraw/zinc/03/40/90/1133034090.db2.gz VZJPQGKQLBHCFU-UHFFFAOYSA-N 1 2 332.875 3.966 20 10 EHCDLO Cc1cc(O)c(CNCCC[N@H+](C)Cc2ccccc2)c(Cl)c1 ZINC001177136761 1133034094 /nfs/dbraw/zinc/03/40/94/1133034094.db2.gz VZJPQGKQLBHCFU-UHFFFAOYSA-N 1 2 332.875 3.966 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000773747060 1133178917 /nfs/dbraw/zinc/17/89/17/1133178917.db2.gz DGRYQTAOIMTDQW-HXUWFJFHSA-N 1 2 328.431 3.855 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000773747060 1133178920 /nfs/dbraw/zinc/17/89/20/1133178920.db2.gz DGRYQTAOIMTDQW-HXUWFJFHSA-N 1 2 328.431 3.855 20 10 EHCDLO Cc1cccc(CN2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)c1 ZINC001180413398 1133372473 /nfs/dbraw/zinc/37/24/73/1133372473.db2.gz ULXWKXVYRKOWSY-VMPITWQZSA-N 1 2 349.522 3.892 20 10 EHCDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001181622124 1133507012 /nfs/dbraw/zinc/50/70/12/1133507012.db2.gz PNFJKCKPPNXADK-AWEZNQCLSA-N 1 2 349.377 3.722 20 10 EHCDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001181622124 1133507014 /nfs/dbraw/zinc/50/70/14/1133507014.db2.gz PNFJKCKPPNXADK-AWEZNQCLSA-N 1 2 349.377 3.722 20 10 EHCDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792164487 1134661830 /nfs/dbraw/zinc/66/18/30/1134661830.db2.gz IYFWTCVWLLEZBK-UHFFFAOYSA-N 1 2 339.823 3.834 20 10 EHCDLO Cc1nc2sccn2c1C[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792164487 1134661831 /nfs/dbraw/zinc/66/18/31/1134661831.db2.gz IYFWTCVWLLEZBK-UHFFFAOYSA-N 1 2 339.823 3.834 20 10 EHCDLO COc1cccc(O)c1C[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000792182465 1134664252 /nfs/dbraw/zinc/66/42/52/1134664252.db2.gz XJXNNQUQFXIPSG-LBPRGKRZSA-N 1 2 331.416 3.682 20 10 EHCDLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001192948545 1135075354 /nfs/dbraw/zinc/07/53/54/1135075354.db2.gz YKROTAZTHVEDOP-OAHLLOKOSA-N 1 2 345.874 3.555 20 10 EHCDLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001192948545 1135075359 /nfs/dbraw/zinc/07/53/59/1135075359.db2.gz YKROTAZTHVEDOP-OAHLLOKOSA-N 1 2 345.874 3.555 20 10 EHCDLO CC[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cccc(Cl)c1O ZINC000806128525 1135396452 /nfs/dbraw/zinc/39/64/52/1135396452.db2.gz LCLYEBZJKBQBPI-MRXNPFEDSA-N 1 2 338.879 3.879 20 10 EHCDLO CC[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000806142123 1135399682 /nfs/dbraw/zinc/39/96/82/1135399682.db2.gz YQNLDANYOBKCGU-XJKSGUPXSA-N 1 2 327.852 3.530 20 10 EHCDLO CC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806149806 1135401494 /nfs/dbraw/zinc/40/14/94/1135401494.db2.gz IDRZMOOBKWPBBJ-WMLDXEAASA-N 1 2 337.822 3.829 20 10 EHCDLO CC[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cccc(Cl)c1O ZINC000806148519 1135402030 /nfs/dbraw/zinc/40/20/30/1135402030.db2.gz HVQKFPGMBNFNAF-INIZCTEOSA-N 1 2 331.847 3.996 20 10 EHCDLO COCC(C)(C)CCC[NH2+]Cc1cccc(Br)c1O ZINC000808428804 1135673565 /nfs/dbraw/zinc/67/35/65/1135673565.db2.gz PXGCPVSBNQTOJV-UHFFFAOYSA-N 1 2 330.266 3.697 20 10 EHCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000809728641 1135872823 /nfs/dbraw/zinc/87/28/23/1135872823.db2.gz DKDUOQDMTINBGM-HNNXBMFYSA-N 1 2 333.229 3.887 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809728641 1135872826 /nfs/dbraw/zinc/87/28/26/1135872826.db2.gz DKDUOQDMTINBGM-HNNXBMFYSA-N 1 2 333.229 3.887 20 10 EHCDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000809772173 1135880999 /nfs/dbraw/zinc/88/09/99/1135880999.db2.gz WGZOTDUWXCDMLF-FZMZJTMJSA-N 1 2 340.851 3.533 20 10 EHCDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000809772173 1135881002 /nfs/dbraw/zinc/88/10/02/1135881002.db2.gz WGZOTDUWXCDMLF-FZMZJTMJSA-N 1 2 340.851 3.533 20 10 EHCDLO Oc1ccc(Br)cc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000776036511 1135938057 /nfs/dbraw/zinc/93/80/57/1135938057.db2.gz NBEPBSNONQRUFH-UHFFFAOYSA-N 1 2 348.244 3.762 20 10 EHCDLO Cc1cc(Br)cc([C@@H](C)N[C@@H](C)C[N@@H+](C)C(C)C)c1O ZINC000810244914 1135947140 /nfs/dbraw/zinc/94/71/40/1135947140.db2.gz JXQJTADGNOMOKV-QWHCGFSZSA-N 1 2 343.309 3.842 20 10 EHCDLO Cc1cc(Br)cc([C@@H](C)N[C@@H](C)C[N@H+](C)C(C)C)c1O ZINC000810244914 1135947142 /nfs/dbraw/zinc/94/71/42/1135947142.db2.gz JXQJTADGNOMOKV-QWHCGFSZSA-N 1 2 343.309 3.842 20 10 EHCDLO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cccc(Br)c1O ZINC000776175426 1136021679 /nfs/dbraw/zinc/02/16/79/1136021679.db2.gz ZVDSESBDNBSSID-NSHDSACASA-N 1 2 336.229 3.581 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](O)c1cccc(F)c1 ZINC000776232320 1136087182 /nfs/dbraw/zinc/08/71/82/1136087182.db2.gz UBUNEUQPASRHFD-BJOHPYRUSA-N 1 2 327.758 3.536 20 10 EHCDLO COc1ccnc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c1F ZINC000850537331 1136281348 /nfs/dbraw/zinc/28/13/48/1136281348.db2.gz TVJQSSOQYDKTEO-SECBINFHSA-N 1 2 344.308 3.805 20 10 EHCDLO Cc1noc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000851715857 1136401149 /nfs/dbraw/zinc/40/11/49/1136401149.db2.gz DFXOLCUQBHDWSV-UHFFFAOYSA-N 1 2 344.415 3.514 20 10 EHCDLO Cc1noc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000851715857 1136401150 /nfs/dbraw/zinc/40/11/50/1136401150.db2.gz DFXOLCUQBHDWSV-UHFFFAOYSA-N 1 2 344.415 3.514 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000816626973 1136739299 /nfs/dbraw/zinc/73/92/99/1136739299.db2.gz AWNPDGUNRLINEU-UHFFFAOYSA-N 1 2 348.727 3.931 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cccc(Cl)c1O ZINC000817975153 1136854196 /nfs/dbraw/zinc/85/41/96/1136854196.db2.gz RDWPXSJPXZCTAA-QZTJIDSGSA-N 1 2 330.859 3.973 20 10 EHCDLO COc1cc(Cl)cc(CNc2ccc(N3CCCC3)c[nH+]2)c1O ZINC000822490246 1137059949 /nfs/dbraw/zinc/05/99/49/1137059949.db2.gz RKMKILJCDHKRNX-UHFFFAOYSA-N 1 2 333.819 3.662 20 10 EHCDLO CC(C)OCCOC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000825207351 1137168949 /nfs/dbraw/zinc/16/89/49/1137168949.db2.gz IYHDNRUGOKXKTK-UHFFFAOYSA-N 1 2 345.842 3.591 20 10 EHCDLO CC[N@H+](Cc1nc(C(F)(F)F)c[nH]1)Cc1ccc(N(C)C)cc1 ZINC001137018889 1137172516 /nfs/dbraw/zinc/17/25/16/1137172516.db2.gz JFZVPJGQGXZNKN-UHFFFAOYSA-N 1 2 326.366 3.517 20 10 EHCDLO CC[N@@H+](Cc1nc(C(F)(F)F)c[nH]1)Cc1ccc(N(C)C)cc1 ZINC001137018889 1137172518 /nfs/dbraw/zinc/17/25/18/1137172518.db2.gz JFZVPJGQGXZNKN-UHFFFAOYSA-N 1 2 326.366 3.517 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844440770 1137224085 /nfs/dbraw/zinc/22/40/85/1137224085.db2.gz UAGNEOOASWLSMM-OAHLLOKOSA-N 1 2 329.774 3.869 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844440770 1137224086 /nfs/dbraw/zinc/22/40/86/1137224086.db2.gz UAGNEOOASWLSMM-OAHLLOKOSA-N 1 2 329.774 3.869 20 10 EHCDLO CC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(C)cc1O ZINC000794815705 1137263932 /nfs/dbraw/zinc/26/39/32/1137263932.db2.gz KYBCGRXJXNMIDI-INIZCTEOSA-N 1 2 340.402 3.866 20 10 EHCDLO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)c1O ZINC000846148493 1137336061 /nfs/dbraw/zinc/33/60/61/1137336061.db2.gz FGVCNQMVLLYECT-OLZOCXBDSA-N 1 2 339.395 3.863 20 10 EHCDLO COc1cccc([C@@H](C)[NH2+][C@H](C)c2noc(-c3ccccc3)n2)c1O ZINC000846148492 1137336147 /nfs/dbraw/zinc/33/61/47/1137336147.db2.gz FGVCNQMVLLYECT-CHWSQXEVSA-N 1 2 339.395 3.863 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000715723188 1137477801 /nfs/dbraw/zinc/47/78/01/1137477801.db2.gz WSISPPUMVARLAC-SNVBAGLBSA-N 1 2 338.167 3.961 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCC(F)(F)F ZINC000715747989 1137478070 /nfs/dbraw/zinc/47/80/70/1137478070.db2.gz YCUCLGYVTKZGDH-UHFFFAOYSA-N 1 2 330.119 3.726 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877673834 1137685335 /nfs/dbraw/zinc/68/53/35/1137685335.db2.gz SNMFFUBCBZUPPS-NVXWUHKLSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877673834 1137685336 /nfs/dbraw/zinc/68/53/36/1137685336.db2.gz SNMFFUBCBZUPPS-NVXWUHKLSA-N 1 2 335.806 3.883 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2nc(C(=O)OC)co2)cc1 ZINC000877923050 1137695885 /nfs/dbraw/zinc/69/58/85/1137695885.db2.gz ZDSIFPIJXXHQET-AWEZNQCLSA-N 1 2 345.443 3.500 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)c2nc(C(=O)OC)co2)cc1 ZINC000877923050 1137695886 /nfs/dbraw/zinc/69/58/86/1137695886.db2.gz ZDSIFPIJXXHQET-AWEZNQCLSA-N 1 2 345.443 3.500 20 10 EHCDLO CC(C)c1cc(C[NH2+]Cc2cc(Br)cc(F)c2O)on1 ZINC000883000730 1137841273 /nfs/dbraw/zinc/84/12/73/1137841273.db2.gz JURJLZFMODHKEF-UHFFFAOYSA-N 1 2 343.196 3.695 20 10 EHCDLO CCC(CC)(CCO)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883026533 1137841905 /nfs/dbraw/zinc/84/19/05/1137841905.db2.gz WPVYYPUTLGBTSC-UHFFFAOYSA-N 1 2 348.256 3.572 20 10 EHCDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000180678264 1139854622 /nfs/dbraw/zinc/85/46/22/1139854622.db2.gz QIHDNHWLPGHADR-YTEVENLXSA-N 1 2 337.872 3.976 20 10 EHCDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180678264 1139854630 /nfs/dbraw/zinc/85/46/30/1139854630.db2.gz QIHDNHWLPGHADR-YTEVENLXSA-N 1 2 337.872 3.976 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898071804 1033324005 /nfs/dbraw/zinc/32/40/05/1033324005.db2.gz TWUHPBPCVDTYQY-SNVBAGLBSA-N 1 2 326.824 3.706 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898071804 1033324021 /nfs/dbraw/zinc/32/40/21/1033324021.db2.gz TWUHPBPCVDTYQY-SNVBAGLBSA-N 1 2 326.824 3.706 20 10 EHCDLO Cc1[nH+]ccn1-c1ccc(NCc2c(O)ccc(Cl)c2F)cn1 ZINC000377026888 1017267837 /nfs/dbraw/zinc/26/78/37/1017267837.db2.gz XNGPYPKMPILEAQ-UHFFFAOYSA-N 1 2 332.766 3.686 20 10 EHCDLO O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1c[nH+]c2ccccn12 ZINC000607059160 1032989826 /nfs/dbraw/zinc/98/98/26/1032989826.db2.gz FOGPFIFYNIEUIL-FMIVXFBMSA-N 1 2 348.793 3.642 20 10 EHCDLO Oc1c(Br)cccc1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000048795869 1026267999 /nfs/dbraw/zinc/26/79/99/1026267999.db2.gz DFHPKFRRTJVEDE-UHFFFAOYSA-N 1 2 344.212 3.953 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)c1O ZINC000273044219 1027240815 /nfs/dbraw/zinc/24/08/15/1027240815.db2.gz XJTIMSRWLSWEIY-UHFFFAOYSA-N 1 2 347.846 3.659 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3cc(C)[nH]n3)CC2)c1O ZINC000273044219 1027240825 /nfs/dbraw/zinc/24/08/25/1027240825.db2.gz XJTIMSRWLSWEIY-UHFFFAOYSA-N 1 2 347.846 3.659 20 10 EHCDLO COC1([C@H](C)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000840885089 1027465187 /nfs/dbraw/zinc/46/51/87/1027465187.db2.gz VHHGDEPXQLFNRM-UWVGGRQHSA-N 1 2 346.240 3.902 20 10 EHCDLO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2nc([C@@H](C)OCC(C)C)no2)c1 ZINC000164435018 1035608445 /nfs/dbraw/zinc/60/84/45/1035608445.db2.gz LMQIJTKPLJXRFW-OAHLLOKOSA-N 1 2 347.459 3.758 20 10 EHCDLO Cc1cc(C)c(O)c(C[N@H+](C)Cc2nc([C@@H](C)OCC(C)C)no2)c1 ZINC000164435018 1035608459 /nfs/dbraw/zinc/60/84/59/1035608459.db2.gz LMQIJTKPLJXRFW-OAHLLOKOSA-N 1 2 347.459 3.758 20 10 EHCDLO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Br)c(F)cc1O ZINC000756636223 1041588880 /nfs/dbraw/zinc/58/88/80/1041588880.db2.gz VVQHBLNTOGMJLW-YLTRJXTNSA-N 1 2 346.240 3.638 20 10 EHCDLO COc1cccc(C[N@@H+]2Cc3ccc(Br)cc3C2)c1O ZINC000765671742 1127721802 /nfs/dbraw/zinc/72/18/02/1127721802.db2.gz JQICLCVCDHBSDH-UHFFFAOYSA-N 1 2 334.213 3.679 20 10 EHCDLO COc1cccc(C[N@H+]2Cc3ccc(Br)cc3C2)c1O ZINC000765671742 1127721806 /nfs/dbraw/zinc/72/18/06/1127721806.db2.gz JQICLCVCDHBSDH-UHFFFAOYSA-N 1 2 334.213 3.679 20 10 EHCDLO Cc1cc(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000739875205 1131511833 /nfs/dbraw/zinc/51/18/33/1131511833.db2.gz IWRQSAJEOBEOBJ-AWEZNQCLSA-N 1 2 331.378 3.761 20 10 EHCDLO Cc1cc(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000739875205 1131511834 /nfs/dbraw/zinc/51/18/34/1131511834.db2.gz IWRQSAJEOBEOBJ-AWEZNQCLSA-N 1 2 331.378 3.761 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC001179217100 1133236323 /nfs/dbraw/zinc/23/63/23/1133236323.db2.gz VVWPXVAYHLFTAH-MRXNPFEDSA-N 1 2 334.822 3.549 20 10 EHCDLO Oc1cc2c(cc1C[N@@H+]1CCSC[C@@H]1c1nccs1)CCC2 ZINC000769803145 1133348938 /nfs/dbraw/zinc/34/89/38/1133348938.db2.gz VMSLVWOCGRNDCC-OAHLLOKOSA-N 1 2 332.494 3.628 20 10 EHCDLO Oc1cc2c(cc1C[N@H+]1CCSC[C@@H]1c1nccs1)CCC2 ZINC000769803145 1133348943 /nfs/dbraw/zinc/34/89/43/1133348943.db2.gz VMSLVWOCGRNDCC-OAHLLOKOSA-N 1 2 332.494 3.628 20 10 EHCDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774118127 1133614506 /nfs/dbraw/zinc/61/45/06/1133614506.db2.gz VOBHLXKZZKPNHM-BJOHPYRUSA-N 1 2 339.222 3.576 20 10 EHCDLO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001183093471 1133767522 /nfs/dbraw/zinc/76/75/22/1133767522.db2.gz CDLNETVIQMNMCL-MRXNPFEDSA-N 1 2 334.822 3.895 20 10 EHCDLO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001183093471 1133767528 /nfs/dbraw/zinc/76/75/28/1133767528.db2.gz CDLNETVIQMNMCL-MRXNPFEDSA-N 1 2 334.822 3.895 20 10 EHCDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000788742449 1134169097 /nfs/dbraw/zinc/16/90/97/1134169097.db2.gz WGHDSAIZQJEUSZ-JGVFFNPUSA-N 1 2 331.363 3.983 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCS[C@H](C(C)C)C2)c1O ZINC001191224721 1134829990 /nfs/dbraw/zinc/82/99/90/1134829990.db2.gz WOHCUDWXMFMAOG-HNNXBMFYSA-N 1 2 327.877 3.822 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCS[C@H](C(C)C)C2)c1O ZINC001191224721 1134829996 /nfs/dbraw/zinc/82/99/96/1134829996.db2.gz WOHCUDWXMFMAOG-HNNXBMFYSA-N 1 2 327.877 3.822 20 10 EHCDLO CC[C@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1cccc(Cl)c1O ZINC000806133322 1135389253 /nfs/dbraw/zinc/38/92/53/1135389253.db2.gz LDQQLIDKFHMRMY-KSSFIOAISA-N 1 2 349.858 3.835 20 10 EHCDLO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cccc(Cl)c1O ZINC000806130266 1135397534 /nfs/dbraw/zinc/39/75/34/1135397534.db2.gz UJMFMJOZEFKBPF-GUYCJALGSA-N 1 2 335.831 3.526 20 10 EHCDLO CC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cccc(Cl)c1O ZINC000806149503 1135401750 /nfs/dbraw/zinc/40/17/50/1135401750.db2.gz UNXUWSNWZKIOOH-PKOBYXMFSA-N 1 2 331.843 3.920 20 10 EHCDLO CC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc(Cl)c1O ZINC000806152814 1135402440 /nfs/dbraw/zinc/40/24/40/1135402440.db2.gz UZRILQZEBYSAPM-INIZCTEOSA-N 1 2 347.846 3.840 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806162992 1135405078 /nfs/dbraw/zinc/40/50/78/1135405078.db2.gz KUTLGBXOOCLDRJ-BXUZGUMPSA-N 1 2 342.867 4.000 20 10 EHCDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775679173 1135503805 /nfs/dbraw/zinc/50/38/05/1135503805.db2.gz POUQCFIUUZSMQO-UHFFFAOYSA-N 1 2 339.823 3.834 20 10 EHCDLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775679173 1135503807 /nfs/dbraw/zinc/50/38/07/1135503807.db2.gz POUQCFIUUZSMQO-UHFFFAOYSA-N 1 2 339.823 3.834 20 10 EHCDLO Cc1cc(Cl)cc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)c1O ZINC000808708044 1135717627 /nfs/dbraw/zinc/71/76/27/1135717627.db2.gz BNCWBAMIGFFWHZ-CYBMUJFWSA-N 1 2 347.846 3.759 20 10 EHCDLO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(Br)c1O)CCO2 ZINC000809704311 1135875458 /nfs/dbraw/zinc/87/54/58/1135875458.db2.gz YXVQZPVUNGFTTK-UHFFFAOYSA-N 1 2 348.240 3.858 20 10 EHCDLO Cc1ccc2c(c1)C[N@H+](Cc1cccc(Br)c1O)CCO2 ZINC000809704311 1135875462 /nfs/dbraw/zinc/87/54/62/1135875462.db2.gz YXVQZPVUNGFTTK-UHFFFAOYSA-N 1 2 348.240 3.858 20 10 EHCDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000809726656 1135879432 /nfs/dbraw/zinc/87/94/32/1135879432.db2.gz RRSXFVJYBOZDKB-AWEZNQCLSA-N 1 2 340.851 3.536 20 10 EHCDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000809726656 1135879434 /nfs/dbraw/zinc/87/94/34/1135879434.db2.gz RRSXFVJYBOZDKB-AWEZNQCLSA-N 1 2 340.851 3.536 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC001201497204 1136028593 /nfs/dbraw/zinc/02/85/93/1136028593.db2.gz FBZNWTACJXJQTK-UHFFFAOYSA-N 1 2 333.457 3.501 20 10 EHCDLO Cc1ccc(O)c(C[NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1 ZINC000776258047 1136107865 /nfs/dbraw/zinc/10/78/65/1136107865.db2.gz PLMJUIMTMWKGNV-GOSISDBHSA-N 1 2 341.451 3.743 20 10 EHCDLO O=C1/C(=C/c2cc(-n3cc[nH+]c3)cs2)SC(=S)N1C1CCC1 ZINC000814186194 1136419365 /nfs/dbraw/zinc/41/93/65/1136419365.db2.gz VVYDNBLTHYTDQY-QPEQYQDCSA-N 1 2 347.490 3.688 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000816491467 1136724261 /nfs/dbraw/zinc/72/42/61/1136724261.db2.gz MUIFZNAIKMHKLI-SNVBAGLBSA-N 1 2 341.732 3.728 20 10 EHCDLO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816537305 1136731169 /nfs/dbraw/zinc/73/11/69/1136731169.db2.gz ZJZZPKXKWKZSBO-HNNXBMFYSA-N 1 2 325.815 3.586 20 10 EHCDLO CCN(CC)c1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1F ZINC000816549724 1136732999 /nfs/dbraw/zinc/73/29/99/1136732999.db2.gz WXPFJWGSNFBYLV-UHFFFAOYSA-N 1 2 338.373 3.946 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485575 1137146541 /nfs/dbraw/zinc/14/65/41/1137146541.db2.gz PSDKDLCYMLIVKU-OCCSQVGLSA-N 1 2 339.863 3.845 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485575 1137146542 /nfs/dbraw/zinc/14/65/42/1137146542.db2.gz PSDKDLCYMLIVKU-OCCSQVGLSA-N 1 2 339.863 3.845 20 10 EHCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000845972132 1137322677 /nfs/dbraw/zinc/32/26/77/1137322677.db2.gz OXPZPBCOTCJGKS-VIFPVBQESA-N 1 2 325.767 3.750 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc(Cl)c1O ZINC000866531338 1137361857 /nfs/dbraw/zinc/36/18/57/1137361857.db2.gz GISMVHOFRSOTLI-XJKSGUPXSA-N 1 2 339.863 3.672 20 10 EHCDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000180678302 1139855402 /nfs/dbraw/zinc/85/54/02/1139855402.db2.gz QIHDNHWLPGHADR-AMXDTQDGSA-N 1 2 337.872 3.976 20 10 EHCDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180678302 1139855409 /nfs/dbraw/zinc/85/54/09/1139855409.db2.gz QIHDNHWLPGHADR-AMXDTQDGSA-N 1 2 337.872 3.976 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000777441804 1140299117 /nfs/dbraw/zinc/29/91/17/1140299117.db2.gz LOSSADBZSALKND-CQSZACIVSA-N 1 2 325.836 3.601 20 10 EHCDLO C[C@H]([NH2+][C@H](c1nccn1C)c1cccc(F)c1)c1ccc(F)cc1O ZINC000184959475 1032346350 /nfs/dbraw/zinc/34/63/50/1032346350.db2.gz INDUUJQCBVOZPF-SGTLLEGYSA-N 1 2 343.377 3.844 20 10 EHCDLO CC[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCCOC1 ZINC000708075100 1026699498 /nfs/dbraw/zinc/69/94/98/1026699498.db2.gz JAYWYLGAFAKVGT-GFCCVEGCSA-N 1 2 348.668 3.809 20 10 EHCDLO CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCCOC1 ZINC000708075100 1026699503 /nfs/dbraw/zinc/69/95/03/1026699503.db2.gz JAYWYLGAFAKVGT-GFCCVEGCSA-N 1 2 348.668 3.809 20 10 EHCDLO CCC[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)OC ZINC000708124618 1027805137 /nfs/dbraw/zinc/80/51/37/1027805137.db2.gz HMOVXGRYPJYVHF-LLVKDONJSA-N 1 2 336.657 3.713 20 10 EHCDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271745615 1029150772 /nfs/dbraw/zinc/15/07/72/1029150772.db2.gz SPVJWJKGXVDGTK-UHFFFAOYSA-N 1 2 325.836 3.599 20 10 EHCDLO c1ccc2c(c1)[nH]c1c2CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093758892 1030666793 /nfs/dbraw/zinc/66/67/93/1030666793.db2.gz DLFALVBOGRUQHU-UHFFFAOYSA-N 1 2 347.462 3.563 20 10 EHCDLO c1ccc2c(c1)[nH]c1c2CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093758892 1030666811 /nfs/dbraw/zinc/66/68/11/1030666811.db2.gz DLFALVBOGRUQHU-UHFFFAOYSA-N 1 2 347.462 3.563 20 10 EHCDLO COc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C2CC2)cn1 ZINC000529688080 1034458731 /nfs/dbraw/zinc/45/87/31/1034458731.db2.gz HQEJBAMQZRIBKX-MRXNPFEDSA-N 1 2 336.794 3.829 20 10 EHCDLO c1cc(N2CCCC2)ccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000171838300 1034666228 /nfs/dbraw/zinc/66/62/28/1034666228.db2.gz MGOFVWFEQCHXOK-UHFFFAOYSA-N 1 2 337.471 3.679 20 10 EHCDLO c1cc(N2CCCC2)ccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000171838300 1034666239 /nfs/dbraw/zinc/66/62/39/1034666239.db2.gz MGOFVWFEQCHXOK-UHFFFAOYSA-N 1 2 337.471 3.679 20 10 EHCDLO C[C@@H]([NH2+]CCF)c1cc(Br)cc(Br)c1O ZINC000281033888 1035301018 /nfs/dbraw/zinc/30/10/18/1035301018.db2.gz NHRPQUCJCJZKQL-ZCFIWIBFSA-N 1 2 341.018 3.537 20 10 EHCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001233032243 1036285620 /nfs/dbraw/zinc/28/56/20/1036285620.db2.gz WZKWHDSNVGSMIE-LBPRGKRZSA-N 1 2 336.151 3.525 20 10 EHCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001233032243 1036285625 /nfs/dbraw/zinc/28/56/25/1036285625.db2.gz WZKWHDSNVGSMIE-LBPRGKRZSA-N 1 2 336.151 3.525 20 10 EHCDLO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000224828750 1037194339 /nfs/dbraw/zinc/19/43/39/1037194339.db2.gz UKHCVJXEDSVTQK-CYBMUJFWSA-N 1 2 340.851 3.535 20 10 EHCDLO COc1ccc(O)c(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000179753010 1037912554 /nfs/dbraw/zinc/91/25/54/1037912554.db2.gz QLAYSYDJUQQMGV-UHFFFAOYSA-N 1 2 326.371 3.580 20 10 EHCDLO COc1ccc(O)c(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000179753010 1037912562 /nfs/dbraw/zinc/91/25/62/1037912562.db2.gz QLAYSYDJUQQMGV-UHFFFAOYSA-N 1 2 326.371 3.580 20 10 EHCDLO COc1cc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(O)cc1C ZINC000764956219 1127557682 /nfs/dbraw/zinc/55/76/82/1127557682.db2.gz RLANGHALSRPIPU-HNNXBMFYSA-N 1 2 346.496 3.650 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccc(Cl)nc1 ZINC001648832922 1120050676 /nfs/dbraw/zinc/05/06/76/1120050676.db2.gz SNQWKSGZEBUZPH-UHFFFAOYSA-N 1 2 345.599 3.632 20 10 EHCDLO CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]Cc1ccccc1O ZINC000763369793 1122146560 /nfs/dbraw/zinc/14/65/60/1122146560.db2.gz HMKSDGDXJADZLH-FQEVSTJZSA-N 1 2 349.430 3.809 20 10 EHCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1cc(C(C)C)c(C)cc1O ZINC000919945892 1123241564 /nfs/dbraw/zinc/24/15/64/1123241564.db2.gz RXKBMICMZXWZTQ-UHFFFAOYSA-N 1 2 341.451 3.999 20 10 EHCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(C(C)C)c(C)cc1O ZINC000919945892 1123241568 /nfs/dbraw/zinc/24/15/68/1123241568.db2.gz RXKBMICMZXWZTQ-UHFFFAOYSA-N 1 2 341.451 3.999 20 10 EHCDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(Cl)cc1O ZINC001181286605 1133475631 /nfs/dbraw/zinc/47/56/31/1133475631.db2.gz VJDJFCGBCDOVCP-IRXDYDNUSA-N 1 2 345.826 3.924 20 10 EHCDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(Cl)cc1O ZINC001181286605 1133475633 /nfs/dbraw/zinc/47/56/33/1133475633.db2.gz VJDJFCGBCDOVCP-IRXDYDNUSA-N 1 2 345.826 3.924 20 10 EHCDLO CC[NH+](CC)[C@H](C(=O)NCc1ccccc1O)c1ccccc1Cl ZINC001182224765 1133599704 /nfs/dbraw/zinc/59/97/04/1133599704.db2.gz SAWVDWWRWMIKHH-SFHVURJKSA-N 1 2 346.858 3.745 20 10 EHCDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)ccc(Cl)c1F ZINC001182908867 1133748655 /nfs/dbraw/zinc/74/86/55/1133748655.db2.gz CFSLSVCLOROGTB-UHFFFAOYSA-N 1 2 346.830 3.531 20 10 EHCDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)ccc(Cl)c1F ZINC001182908867 1133748659 /nfs/dbraw/zinc/74/86/59/1133748659.db2.gz CFSLSVCLOROGTB-UHFFFAOYSA-N 1 2 346.830 3.531 20 10 EHCDLO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3cccc(Cl)c3O)C2)cc1 ZINC001183606975 1133826806 /nfs/dbraw/zinc/82/68/06/1133826806.db2.gz QBIOFNXBKRDIJF-HNNXBMFYSA-N 1 2 330.815 3.637 20 10 EHCDLO COc1ccc(O)c(C[NH2+]CC(F)(F)c2ccc(F)cc2F)c1 ZINC001183686917 1133841384 /nfs/dbraw/zinc/84/13/84/1133841384.db2.gz UDGODLQNYIOKDF-UHFFFAOYSA-N 1 2 329.293 3.561 20 10 EHCDLO Oc1c(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)ccc(F)c1F ZINC001183779523 1133854715 /nfs/dbraw/zinc/85/47/15/1133854715.db2.gz OGSXKFYNIKLNMP-JTQLQIEISA-N 1 2 325.305 3.938 20 10 EHCDLO Oc1c(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)ccc(F)c1F ZINC001183779523 1133854723 /nfs/dbraw/zinc/85/47/23/1133854723.db2.gz OGSXKFYNIKLNMP-JTQLQIEISA-N 1 2 325.305 3.938 20 10 EHCDLO COc1ccc(C[N@H+](C)Cc2c(O)ccc(Cl)c2F)cc1OC ZINC000792156844 1134658610 /nfs/dbraw/zinc/65/86/10/1134658610.db2.gz OQFQNOSEMTWAIA-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO COc1ccc(C[N@@H+](C)Cc2c(O)ccc(Cl)c2F)cc1OC ZINC000792156844 1134658614 /nfs/dbraw/zinc/65/86/14/1134658614.db2.gz OQFQNOSEMTWAIA-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO COCC[N@H+](Cc1ccc(C)o1)Cc1c(O)ccc(Cl)c1F ZINC000792169448 1134662688 /nfs/dbraw/zinc/66/26/88/1134662688.db2.gz KJAKBNSXZINGGM-UHFFFAOYSA-N 1 2 327.783 3.735 20 10 EHCDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1c(O)ccc(Cl)c1F ZINC000792169448 1134662689 /nfs/dbraw/zinc/66/26/89/1134662689.db2.gz KJAKBNSXZINGGM-UHFFFAOYSA-N 1 2 327.783 3.735 20 10 EHCDLO CC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc(Cl)ccc1O ZINC000775532056 1135025971 /nfs/dbraw/zinc/02/59/71/1135025971.db2.gz KKUXUYPFBFJYBX-MRXNPFEDSA-N 1 2 347.846 3.840 20 10 EHCDLO CC[C@H]([NH2+]CCCOCC1CCOCC1)c1cccc(Cl)c1O ZINC000806140272 1135399921 /nfs/dbraw/zinc/39/99/21/1135399921.db2.gz IMXGARTXCNTBDV-KRWDZBQOSA-N 1 2 341.879 3.920 20 10 EHCDLO CN(C)c1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1F ZINC000809687012 1135871733 /nfs/dbraw/zinc/87/17/33/1135871733.db2.gz BEELAUXAEXWDCS-UHFFFAOYSA-N 1 2 346.431 3.635 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1F ZINC000809687012 1135871735 /nfs/dbraw/zinc/87/17/35/1135871735.db2.gz BEELAUXAEXWDCS-UHFFFAOYSA-N 1 2 346.431 3.635 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512588 1136104077 /nfs/dbraw/zinc/10/40/77/1136104077.db2.gz FUPZBQPPUFAAKR-MRXNPFEDSA-N 1 2 346.833 3.822 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512588 1136104081 /nfs/dbraw/zinc/10/40/81/1136104081.db2.gz FUPZBQPPUFAAKR-MRXNPFEDSA-N 1 2 346.833 3.822 20 10 EHCDLO C[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)cc(F)c1O ZINC000813873308 1136371088 /nfs/dbraw/zinc/37/10/88/1136371088.db2.gz VSANEAWERJBMSD-ZETCQYMHSA-N 1 2 338.167 3.990 20 10 EHCDLO CN1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H]1c1ccccc1 ZINC000816559594 1136736985 /nfs/dbraw/zinc/73/69/85/1136736985.db2.gz OUIKHAUXCWTFNM-SJLPKXTDSA-N 1 2 334.822 3.720 20 10 EHCDLO CCCN(Cc1ccccc1O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817786149 1136840168 /nfs/dbraw/zinc/84/01/68/1136840168.db2.gz RLAFAICLDSIEPR-UHFFFAOYSA-N 1 2 327.428 3.526 20 10 EHCDLO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Br)cc(F)c1O ZINC000857080533 1136842804 /nfs/dbraw/zinc/84/28/04/1136842804.db2.gz ICTUMTYXAYVJHE-HTQZYQBOSA-N 1 2 338.167 3.990 20 10 EHCDLO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)c(F)cc1O ZINC000857082458 1136842677 /nfs/dbraw/zinc/84/26/77/1136842677.db2.gz VREVIVJWFDDXSZ-SFYZADRCSA-N 1 2 338.167 3.990 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1[O-] ZINC000817942730 1136849501 /nfs/dbraw/zinc/84/95/01/1136849501.db2.gz QQMYXELVTCSGPW-QZTJIDSGSA-N 1 2 347.890 3.852 20 10 EHCDLO COCc1cc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)no1 ZINC000862528277 1137148087 /nfs/dbraw/zinc/14/80/87/1137148087.db2.gz SPGNIBIHXKCXTN-UHFFFAOYSA-N 1 2 339.439 3.827 20 10 EHCDLO Oc1cc(O)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C(F)(F)C2)c(O)c1 ZINC001144520396 1137302756 /nfs/dbraw/zinc/30/27/56/1137302756.db2.gz OWYIAFMVXMDTMU-AWEZNQCLSA-N 1 2 349.377 3.503 20 10 EHCDLO Oc1cc(O)c(C[N@H+]2CC[C@@H](Cc3ccccc3)C(F)(F)C2)c(O)c1 ZINC001144520396 1137302758 /nfs/dbraw/zinc/30/27/58/1137302758.db2.gz OWYIAFMVXMDTMU-AWEZNQCLSA-N 1 2 349.377 3.503 20 10 EHCDLO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1cc(F)cc(F)c1O ZINC000866619609 1137370215 /nfs/dbraw/zinc/37/02/15/1137370215.db2.gz FWKNJHVKEFSHBO-ZCFIWIBFSA-N 1 2 349.200 3.740 20 10 EHCDLO Clc1ccc(C2=CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cn1 ZINC000773247305 1137481195 /nfs/dbraw/zinc/48/11/95/1137481195.db2.gz JEEOAQFYXXGDSH-UHFFFAOYSA-N 1 2 341.846 3.641 20 10 EHCDLO Clc1ccc(C2=CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)cn1 ZINC000773247305 1137481197 /nfs/dbraw/zinc/48/11/97/1137481197.db2.gz JEEOAQFYXXGDSH-UHFFFAOYSA-N 1 2 341.846 3.641 20 10 EHCDLO CCOCc1cc(C[NH2+]Cc2ncc(Cl)s2)ccc1OC ZINC000873165815 1137591974 /nfs/dbraw/zinc/59/19/74/1137591974.db2.gz PVOIGWBVXIXEPW-UHFFFAOYSA-N 1 2 326.849 3.631 20 10 EHCDLO OC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(C(F)(F)F)cc1 ZINC000877125921 1137670860 /nfs/dbraw/zinc/67/08/60/1137670860.db2.gz WDSUDDPTUOOLGT-CYBMUJFWSA-N 1 2 347.283 3.512 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000134114561 1137940550 /nfs/dbraw/zinc/94/05/50/1137940550.db2.gz IQMCDBMCCFLCBA-CQSZACIVSA-N 1 2 329.271 3.759 20 10 EHCDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2Cc2cc(C)ccc2O)o1 ZINC000092355960 1138226998 /nfs/dbraw/zinc/22/69/98/1138226998.db2.gz ZBLPILBKJLPOQR-GOSISDBHSA-N 1 2 335.407 3.692 20 10 EHCDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2Cc2cc(C)ccc2O)o1 ZINC000092355960 1138227000 /nfs/dbraw/zinc/22/70/00/1138227000.db2.gz ZBLPILBKJLPOQR-GOSISDBHSA-N 1 2 335.407 3.692 20 10 EHCDLO COc1cccc(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1O ZINC000179681969 1139775079 /nfs/dbraw/zinc/77/50/79/1139775079.db2.gz WIOSEMRYPGTYCV-UHFFFAOYSA-N 1 2 326.371 3.580 20 10 EHCDLO COc1cccc(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1O ZINC000179681969 1139775086 /nfs/dbraw/zinc/77/50/86/1139775086.db2.gz WIOSEMRYPGTYCV-UHFFFAOYSA-N 1 2 326.371 3.580 20 10 EHCDLO CCN(CC)c1ccc(C[NH2+]Cc2csc(COC)n2)cc1F ZINC000266184512 1140652202 /nfs/dbraw/zinc/65/22/02/1140652202.db2.gz GYTKNNGCDNIESK-UHFFFAOYSA-N 1 2 337.464 3.565 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@H](C)C(F)(F)F)C1 ZINC001208906414 1015574850 /nfs/dbraw/zinc/57/48/50/1015574850.db2.gz WFVJWVGHZJATMZ-NSHDSACASA-N 1 2 326.362 3.743 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@H](C)C(F)(F)F)C1 ZINC001208906414 1015574860 /nfs/dbraw/zinc/57/48/60/1015574860.db2.gz WFVJWVGHZJATMZ-NSHDSACASA-N 1 2 326.362 3.743 20 10 EHCDLO CC[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cccc(Cl)c1O ZINC000376832817 1017141669 /nfs/dbraw/zinc/14/16/69/1017141669.db2.gz GNZHNNWMOSYDOY-QGZVFWFLSA-N 1 2 342.830 3.867 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(Cl)c1O ZINC000376834708 1017154385 /nfs/dbraw/zinc/15/43/85/1017154385.db2.gz OWIYNDGNYHHCBE-WBMJQRKESA-N 1 2 349.837 3.899 20 10 EHCDLO Cc1cccc(NC2=NC(=O)C(=Cc3cccc4[nH+]ccn43)S2)c1 ZINC000255380145 1022249795 /nfs/dbraw/zinc/24/97/95/1022249795.db2.gz IRQJBAVADJADMN-RVDMUPIBSA-N 1 2 334.404 3.725 20 10 EHCDLO CC1(C)C[NH+](Cc2cccc(Br)c2O)CC(C)(C)O1 ZINC000226455595 1033124097 /nfs/dbraw/zinc/12/40/97/1033124097.db2.gz GYPDCEITLVUJNO-UHFFFAOYSA-N 1 2 328.250 3.544 20 10 EHCDLO CC[N@H+](Cc1cc(F)c(F)cc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001142527513 1033277150 /nfs/dbraw/zinc/27/71/50/1033277150.db2.gz XPSUBCKANYUCBO-KRWDZBQOSA-N 1 2 346.421 3.767 20 10 EHCDLO CC[N@@H+](Cc1cc(F)c(F)cc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001142527513 1033277158 /nfs/dbraw/zinc/27/71/58/1033277158.db2.gz XPSUBCKANYUCBO-KRWDZBQOSA-N 1 2 346.421 3.767 20 10 EHCDLO CCN(Cc1cc(F)c(F)cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142527513 1033277171 /nfs/dbraw/zinc/27/71/71/1033277171.db2.gz XPSUBCKANYUCBO-KRWDZBQOSA-N 1 2 346.421 3.767 20 10 EHCDLO CCN(Cc1cc(F)c(F)cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142527513 1033277175 /nfs/dbraw/zinc/27/71/75/1033277175.db2.gz XPSUBCKANYUCBO-KRWDZBQOSA-N 1 2 346.421 3.767 20 10 EHCDLO Cc1ccc([C@]2(C)C[N@H+](Cc3cc(F)c(F)cc3O)CCO2)cc1 ZINC001142527521 1033277597 /nfs/dbraw/zinc/27/75/97/1033277597.db2.gz XUFJOIGBOCTAHO-IBGZPJMESA-N 1 2 333.378 3.726 20 10 EHCDLO Cc1ccc([C@]2(C)C[N@@H+](Cc3cc(F)c(F)cc3O)CCO2)cc1 ZINC001142527521 1033277610 /nfs/dbraw/zinc/27/76/10/1033277610.db2.gz XUFJOIGBOCTAHO-IBGZPJMESA-N 1 2 333.378 3.726 20 10 EHCDLO CC[NH+](CC)c1ccc(C)c(NCCc2cc(O)c(O)cc2O)c1 ZINC001168017324 1026065740 /nfs/dbraw/zinc/06/57/40/1026065740.db2.gz TVKBGLNVBMIRNF-UHFFFAOYSA-N 1 2 330.428 3.613 20 10 EHCDLO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000897043408 1026276025 /nfs/dbraw/zinc/27/60/25/1026276025.db2.gz LBOONDHUWKYCRD-ONGXEEELSA-N 1 2 339.798 3.556 20 10 EHCDLO CC[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@H]1CCCOC1 ZINC000708075102 1026699057 /nfs/dbraw/zinc/69/90/57/1026699057.db2.gz JAYWYLGAFAKVGT-LBPRGKRZSA-N 1 2 348.668 3.809 20 10 EHCDLO CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@H]1CCCOC1 ZINC000708075102 1026699065 /nfs/dbraw/zinc/69/90/65/1026699065.db2.gz JAYWYLGAFAKVGT-LBPRGKRZSA-N 1 2 348.668 3.809 20 10 EHCDLO COc1ccc(N2CCN(c3cc[nH+]c4c(OC)cccc34)CC2)cc1 ZINC000302408162 1027143128 /nfs/dbraw/zinc/14/31/28/1027143128.db2.gz GIEFUNUGRFUUIL-UHFFFAOYSA-N 1 2 349.434 3.579 20 10 EHCDLO CCN(CC)c1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302805972 1027304448 /nfs/dbraw/zinc/30/44/48/1027304448.db2.gz WYUZXHPCAUHSTI-UHFFFAOYSA-N 1 2 325.460 3.535 20 10 EHCDLO CCN(CC)c1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302805972 1027304463 /nfs/dbraw/zinc/30/44/63/1027304463.db2.gz WYUZXHPCAUHSTI-UHFFFAOYSA-N 1 2 325.460 3.535 20 10 EHCDLO CC1(C)C[N@H+](Cc2cc(Cl)cc(Br)c2O)CCCO1 ZINC000708141466 1028180097 /nfs/dbraw/zinc/18/00/97/1028180097.db2.gz SOKMUHAXYNNNKK-UHFFFAOYSA-N 1 2 348.668 3.809 20 10 EHCDLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Br)c2O)CCCO1 ZINC000708141466 1028180109 /nfs/dbraw/zinc/18/01/09/1028180109.db2.gz SOKMUHAXYNNNKK-UHFFFAOYSA-N 1 2 348.668 3.809 20 10 EHCDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C[C@H]1C ZINC000898218960 1033374327 /nfs/dbraw/zinc/37/43/27/1033374327.db2.gz UAZDXCCNCZUEHC-KWCYVHTRSA-N 1 2 325.836 3.503 20 10 EHCDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)ccc1OC(F)F ZINC000898219955 1033374648 /nfs/dbraw/zinc/37/46/48/1033374648.db2.gz QGRFPVZDAYTONC-UHFFFAOYSA-N 1 2 343.757 3.945 20 10 EHCDLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc2ccccc2c1O ZINC000186251215 1128359635 /nfs/dbraw/zinc/35/96/35/1128359635.db2.gz ZYSWHDRVYSCSDA-HNNXBMFYSA-N 1 2 349.434 3.950 20 10 EHCDLO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000179564402 1123798593 /nfs/dbraw/zinc/79/85/93/1123798593.db2.gz NHBOFIAKZVKSDH-QGZVFWFLSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000179564402 1123798596 /nfs/dbraw/zinc/79/85/96/1123798596.db2.gz NHBOFIAKZVKSDH-QGZVFWFLSA-N 1 2 348.240 3.728 20 10 EHCDLO CCOc1ccc(CNc2[nH+]c3cc(Cl)ccc3n2C)c(O)c1 ZINC000766110632 1130324356 /nfs/dbraw/zinc/32/43/56/1130324356.db2.gz YVXVHIKVHZUHHK-UHFFFAOYSA-N 1 2 331.803 3.943 20 10 EHCDLO CCO[C@H](C)c1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000736945694 1131442166 /nfs/dbraw/zinc/44/21/66/1131442166.db2.gz RDGBETQUVMGOLI-OAHLLOKOSA-N 1 2 346.475 3.644 20 10 EHCDLO CCO[C@H](C)c1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000736945694 1131442167 /nfs/dbraw/zinc/44/21/67/1131442167.db2.gz RDGBETQUVMGOLI-OAHLLOKOSA-N 1 2 346.475 3.644 20 10 EHCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000743403516 1131916269 /nfs/dbraw/zinc/91/62/69/1131916269.db2.gz URXWFOPYSBDMPO-GOSISDBHSA-N 1 2 341.451 3.969 20 10 EHCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000743403516 1131916276 /nfs/dbraw/zinc/91/62/76/1131916276.db2.gz URXWFOPYSBDMPO-GOSISDBHSA-N 1 2 341.451 3.969 20 10 EHCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000768359168 1133129511 /nfs/dbraw/zinc/12/95/11/1133129511.db2.gz ALMNJZXAJVNLCO-OAHLLOKOSA-N 1 2 333.229 3.887 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000768359168 1133129512 /nfs/dbraw/zinc/12/95/12/1133129512.db2.gz ALMNJZXAJVNLCO-OAHLLOKOSA-N 1 2 333.229 3.887 20 10 EHCDLO CCN(C)c1ccc(C[NH2+]C2(c3noc(C)n3)CCCCC2)cc1 ZINC000773777850 1133206134 /nfs/dbraw/zinc/20/61/34/1133206134.db2.gz VSMQXFCFQWTCCV-UHFFFAOYSA-N 1 2 328.460 3.783 20 10 EHCDLO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(F)cc(F)c1O ZINC000769992586 1133374438 /nfs/dbraw/zinc/37/44/38/1133374438.db2.gz XIHRUYOFTATRHS-CMQUCMFRSA-N 1 2 348.393 3.546 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)c1nc(C(F)(F)F)cs1 ZINC001181244959 1133468231 /nfs/dbraw/zinc/46/82/31/1133468231.db2.gz YFYPYGLOYCATNK-LURJTMIESA-N 1 2 338.301 3.997 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(Br)cn1 ZINC001181373806 1133481489 /nfs/dbraw/zinc/48/14/89/1133481489.db2.gz SHBFVKMIUILSJL-MRVPVSSYSA-N 1 2 343.171 3.679 20 10 EHCDLO C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)Cc1ccccc1 ZINC000790725473 1134459255 /nfs/dbraw/zinc/45/92/55/1134459255.db2.gz AQTOPNKLVBIVJC-LRDNONRASA-N 1 2 349.421 3.951 20 10 EHCDLO COC(=O)c1ccc(C[N@H+](C)Cc2c(O)ccc(Cl)c2F)cc1 ZINC000792167666 1134661495 /nfs/dbraw/zinc/66/14/95/1134661495.db2.gz XKWWMJIXXHKDGY-UHFFFAOYSA-N 1 2 337.778 3.603 20 10 EHCDLO COC(=O)c1ccc(C[N@@H+](C)Cc2c(O)ccc(Cl)c2F)cc1 ZINC000792167666 1134661499 /nfs/dbraw/zinc/66/14/99/1134661499.db2.gz XKWWMJIXXHKDGY-UHFFFAOYSA-N 1 2 337.778 3.603 20 10 EHCDLO CC[C@@H]([NH2+]CCCOCC1CCOCC1)c1cccc(Cl)c1O ZINC000806140273 1135400166 /nfs/dbraw/zinc/40/01/66/1135400166.db2.gz IMXGARTXCNTBDV-QGZVFWFLSA-N 1 2 341.879 3.920 20 10 EHCDLO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1O ZINC000806144352 1135400820 /nfs/dbraw/zinc/40/08/20/1135400820.db2.gz PXUCONXEMWVCRW-IRXDYDNUSA-N 1 2 344.842 3.892 20 10 EHCDLO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000806179412 1135412602 /nfs/dbraw/zinc/41/26/02/1135412602.db2.gz CUEWHDWTKKQUIR-PWSUYJOCSA-N 1 2 341.785 3.751 20 10 EHCDLO Cc1ccc(C[NH+]2CCOCC2)cc1NCc1cccc(Cl)c1O ZINC000775758449 1135644192 /nfs/dbraw/zinc/64/41/92/1135644192.db2.gz SAJKRSMNHHELSY-UHFFFAOYSA-N 1 2 346.858 3.798 20 10 EHCDLO O=C(c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1)N1CCCC1 ZINC000775768383 1135672673 /nfs/dbraw/zinc/67/26/73/1135672673.db2.gz POFTYFFJCDWLKX-UHFFFAOYSA-N 1 2 344.842 3.571 20 10 EHCDLO CC[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](O)c1c(F)cccc1F ZINC000776219150 1136071179 /nfs/dbraw/zinc/07/11/79/1136071179.db2.gz DFIRJPMSKBALNA-YOEHRIQHSA-N 1 2 341.785 3.926 20 10 EHCDLO Oc1cccc(C[NH2+]Cc2cccc(Br)c2O)c1Cl ZINC000816592401 1136735318 /nfs/dbraw/zinc/73/53/18/1136735318.db2.gz JDHINRFYAIZGQF-UHFFFAOYSA-N 1 2 342.620 3.804 20 10 EHCDLO CN1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H]1c1ccccc1 ZINC000816559593 1136736872 /nfs/dbraw/zinc/73/68/72/1136736872.db2.gz OUIKHAUXCWTFNM-FUHWJXTLSA-N 1 2 334.822 3.720 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nc(-c2ccccc2)no1 ZINC000816570455 1136738352 /nfs/dbraw/zinc/73/83/52/1136738352.db2.gz UYCQFWPNTYZXEI-UHFFFAOYSA-N 1 2 333.750 3.525 20 10 EHCDLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CCO1 ZINC000817585871 1136826318 /nfs/dbraw/zinc/82/63/18/1136826318.db2.gz JPYZBZZNBFTMMH-HBNTYKKESA-N 1 2 346.240 3.902 20 10 EHCDLO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000776952318 1136894708 /nfs/dbraw/zinc/89/47/08/1136894708.db2.gz HWVBLFRJCKFMKG-KGLIPLIRSA-N 1 2 342.277 3.838 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1noc(C2CCC2)n1)C1CCCC1 ZINC000859139180 1137004708 /nfs/dbraw/zinc/00/47/08/1137004708.db2.gz LCMXIBINZUGBMX-UHFFFAOYSA-N 1 2 327.428 3.988 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1noc(C2CCC2)n1)C1CCCC1 ZINC000859139180 1137004710 /nfs/dbraw/zinc/00/47/10/1137004710.db2.gz LCMXIBINZUGBMX-UHFFFAOYSA-N 1 2 327.428 3.988 20 10 EHCDLO COCc1cc[nH+]c(NCc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000844708982 1137247055 /nfs/dbraw/zinc/24/70/55/1137247055.db2.gz OACBFHPXLIBRNG-UHFFFAOYSA-N 1 2 339.361 3.925 20 10 EHCDLO C[C@H]([NH2+]Cc1cccnc1F)c1cc(Br)cc(F)c1O ZINC000794837592 1137275942 /nfs/dbraw/zinc/27/59/42/1137275942.db2.gz UWHDBJTVPDDHPF-QMMMGPOBSA-N 1 2 343.171 3.679 20 10 EHCDLO COc1c[nH+]c(NCc2cc(Br)ccc2O)c2[nH]ccc21 ZINC001171174143 1137283318 /nfs/dbraw/zinc/28/33/18/1137283318.db2.gz JYNBJDKQJDVRPI-UHFFFAOYSA-N 1 2 348.200 3.652 20 10 EHCDLO Oc1c(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)ccc(F)c1F ZINC000876978781 1137666904 /nfs/dbraw/zinc/66/69/04/1137666904.db2.gz OWHRQXQJNHSGEU-WBVHZDCISA-N 1 2 337.341 3.819 20 10 EHCDLO C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000883087027 1137844157 /nfs/dbraw/zinc/84/41/57/1137844157.db2.gz LSURWXIYVYICPC-GHMZBOCLSA-N 1 2 346.240 3.589 20 10 EHCDLO CC[C@H]([NH2+][C@H](COC)[C@H]1CCCOC1)c1cccc(Cl)c1O ZINC000886788965 1138140481 /nfs/dbraw/zinc/14/04/81/1138140481.db2.gz LOXXKQODQIABIV-VBNZEHGJSA-N 1 2 327.852 3.528 20 10 EHCDLO c1c[nH]c([C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc2)n1 ZINC000187761496 1140270263 /nfs/dbraw/zinc/27/02/63/1140270263.db2.gz YATOYKXUZNCFAO-HXUWFJFHSA-N 1 2 332.451 3.889 20 10 EHCDLO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC000894902752 1022058487 /nfs/dbraw/zinc/05/84/87/1022058487.db2.gz LAGDUQLKZCKWPI-NOZJJQNGSA-N 1 2 348.668 3.665 20 10 EHCDLO Oc1c(Br)cccc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000048796057 1022894472 /nfs/dbraw/zinc/89/44/72/1022894472.db2.gz IEFCWZDFRFSQKD-UHFFFAOYSA-N 1 2 348.244 3.762 20 10 EHCDLO Cc1ccc([C@@]2(C)C[N@H+](Cc3cc(F)c(F)cc3O)CCO2)cc1 ZINC001142527522 1033277268 /nfs/dbraw/zinc/27/72/68/1033277268.db2.gz XUFJOIGBOCTAHO-LJQANCHMSA-N 1 2 333.378 3.726 20 10 EHCDLO Cc1ccc([C@@]2(C)C[N@@H+](Cc3cc(F)c(F)cc3O)CCO2)cc1 ZINC001142527522 1033277275 /nfs/dbraw/zinc/27/72/75/1033277275.db2.gz XUFJOIGBOCTAHO-LJQANCHMSA-N 1 2 333.378 3.726 20 10 EHCDLO COc1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000896423940 1025437212 /nfs/dbraw/zinc/43/72/12/1025437212.db2.gz WNFVWPCNUKXMIX-BBRMVZONSA-N 1 2 337.778 3.616 20 10 EHCDLO CCCCOCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708171754 1028495262 /nfs/dbraw/zinc/49/52/62/1028495262.db2.gz NCWMGPWXEZAVGS-UHFFFAOYSA-N 1 2 336.657 3.714 20 10 EHCDLO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cc(Br)cc(F)c1O ZINC000528004304 1031571396 /nfs/dbraw/zinc/57/13/96/1031571396.db2.gz DXJRWLCOFUAGKE-BNGPLYCXSA-N 1 2 346.240 3.756 20 10 EHCDLO CC(C)c1cnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000182964072 1038655404 /nfs/dbraw/zinc/65/54/04/1038655404.db2.gz SHGYZYUTIOTPOE-UHFFFAOYSA-N 1 2 345.512 3.735 20 10 EHCDLO CC(C)c1cnc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000182964072 1038655408 /nfs/dbraw/zinc/65/54/08/1038655408.db2.gz SHGYZYUTIOTPOE-UHFFFAOYSA-N 1 2 345.512 3.735 20 10 EHCDLO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756535464 1040152586 /nfs/dbraw/zinc/15/25/86/1040152586.db2.gz QFGXSKFDVJEVOQ-QWRGUYRKSA-N 1 2 347.272 3.675 20 10 EHCDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC001180198487 1133348202 /nfs/dbraw/zinc/34/82/02/1133348202.db2.gz BPNSUVZJNSWNSZ-BDAKNGLRSA-N 1 2 334.254 3.620 20 10 EHCDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC001180198487 1133348209 /nfs/dbraw/zinc/34/82/09/1133348209.db2.gz BPNSUVZJNSWNSZ-BDAKNGLRSA-N 1 2 334.254 3.620 20 10 EHCDLO Cc1nc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cs1 ZINC000916838703 1122365088 /nfs/dbraw/zinc/36/50/88/1122365088.db2.gz UFQXOFDSTFKZEF-UHFFFAOYSA-N 1 2 346.456 3.640 20 10 EHCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000916984837 1122429438 /nfs/dbraw/zinc/42/94/38/1122429438.db2.gz NDCDDGNLQRHGDG-AWEZNQCLSA-N 1 2 332.394 3.857 20 10 EHCDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cc(F)cc(F)c3O)c2c1 ZINC001212481974 1129093558 /nfs/dbraw/zinc/09/35/58/1129093558.db2.gz UGDBEALWCBRDFX-UHFFFAOYSA-N 1 2 344.317 3.561 20 10 EHCDLO CC(C)CCc1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000920781272 1123418969 /nfs/dbraw/zinc/41/89/69/1123418969.db2.gz MCGCBNQVUIZXKD-UHFFFAOYSA-N 1 2 342.487 3.889 20 10 EHCDLO CC(C)CCc1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000920781272 1123418970 /nfs/dbraw/zinc/41/89/70/1123418970.db2.gz MCGCBNQVUIZXKD-UHFFFAOYSA-N 1 2 342.487 3.889 20 10 EHCDLO CC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(N(C)C)cc1 ZINC000182883317 1125388140 /nfs/dbraw/zinc/38/81/40/1125388140.db2.gz CQWVLHSDQYNSEA-LJQANCHMSA-N 1 2 340.471 3.547 20 10 EHCDLO Brc1cnc(C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000922320033 1129466413 /nfs/dbraw/zinc/46/64/13/1129466413.db2.gz FJAVAJOGLWRRTJ-UHFFFAOYSA-N 1 2 339.258 3.520 20 10 EHCDLO CCc1cnc(C[N@H+](C)Cc2cc(Br)ccc2O)s1 ZINC000093807445 1129603390 /nfs/dbraw/zinc/60/33/90/1129603390.db2.gz QRIMYVLXUJGJQB-UHFFFAOYSA-N 1 2 341.274 3.806 20 10 EHCDLO CCc1cnc(C[N@@H+](C)Cc2cc(Br)ccc2O)s1 ZINC000093807445 1129603392 /nfs/dbraw/zinc/60/33/92/1129603392.db2.gz QRIMYVLXUJGJQB-UHFFFAOYSA-N 1 2 341.274 3.806 20 10 EHCDLO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(Br)c1O)C2 ZINC000767727045 1133043508 /nfs/dbraw/zinc/04/35/08/1133043508.db2.gz GPPZCTCRVLDPOZ-CQSZACIVSA-N 1 2 348.240 3.507 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000768530284 1133150419 /nfs/dbraw/zinc/15/04/19/1133150419.db2.gz HDYJYPFRIOFEMV-IBGZPJMESA-N 1 2 330.859 3.980 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000768530284 1133150420 /nfs/dbraw/zinc/15/04/20/1133150420.db2.gz HDYJYPFRIOFEMV-IBGZPJMESA-N 1 2 330.859 3.980 20 10 EHCDLO CCC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769450953 1133292655 /nfs/dbraw/zinc/29/26/55/1133292655.db2.gz DSFDQGCXFVKRCY-KRWDZBQOSA-N 1 2 347.459 3.586 20 10 EHCDLO CCC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769450953 1133292660 /nfs/dbraw/zinc/29/26/60/1133292660.db2.gz DSFDQGCXFVKRCY-KRWDZBQOSA-N 1 2 347.459 3.586 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000773843667 1133350400 /nfs/dbraw/zinc/35/04/00/1133350400.db2.gz BPEZPJTWDLYUBY-HXUWFJFHSA-N 1 2 346.421 3.994 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000773843667 1133350406 /nfs/dbraw/zinc/35/04/06/1133350406.db2.gz BPEZPJTWDLYUBY-HXUWFJFHSA-N 1 2 346.421 3.994 20 10 EHCDLO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000769997260 1133375316 /nfs/dbraw/zinc/37/53/16/1133375316.db2.gz XYTKNBHJVCOUHH-QKXNICGJSA-N 1 2 348.668 3.786 20 10 EHCDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774118136 1133614495 /nfs/dbraw/zinc/61/44/95/1133614495.db2.gz VOBHLXKZZKPNHM-VFZGTOFNSA-N 1 2 339.222 3.576 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC001182949499 1133751096 /nfs/dbraw/zinc/75/10/96/1133751096.db2.gz MKHWYUYGAPDATG-UHFFFAOYSA-N 1 2 341.741 3.699 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C(F)(F)F)c1O ZINC000788671659 1134159703 /nfs/dbraw/zinc/15/97/03/1134159703.db2.gz YMANOSJMYKIDBI-NOZJJQNGSA-N 1 2 325.334 3.862 20 10 EHCDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000788742451 1134168827 /nfs/dbraw/zinc/16/88/27/1134168827.db2.gz WGHDSAIZQJEUSZ-YUMQZZPRSA-N 1 2 331.363 3.983 20 10 EHCDLO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)Cc1ccccc1 ZINC000790725476 1134459029 /nfs/dbraw/zinc/45/90/29/1134459029.db2.gz AQTOPNKLVBIVJC-MNVSYLFESA-N 1 2 349.421 3.951 20 10 EHCDLO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000793602612 1134967244 /nfs/dbraw/zinc/96/72/44/1134967244.db2.gz ZGRFOVUOPATWCK-SNVBAGLBSA-N 1 2 346.830 3.578 20 10 EHCDLO CC[C@H](Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)c1ccccc1O ZINC000775545720 1135054328 /nfs/dbraw/zinc/05/43/28/1135054328.db2.gz FGIGJGVFEPYOOF-MPGHIAIKSA-N 1 2 341.455 3.964 20 10 EHCDLO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806132235 1135387844 /nfs/dbraw/zinc/38/78/44/1135387844.db2.gz UMRVBVHRFTUUNI-KRWDZBQOSA-N 1 2 346.858 3.745 20 10 EHCDLO CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(Cl)c1O ZINC000806136350 1135390266 /nfs/dbraw/zinc/39/02/66/1135390266.db2.gz WYXMVLYRDSWIHS-CQSZACIVSA-N 1 2 332.822 3.816 20 10 EHCDLO CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cccc(Cl)c1O ZINC000806138812 1135390689 /nfs/dbraw/zinc/39/06/89/1135390689.db2.gz CDDNRFXCGBZWGH-WWGRRREGSA-N 1 2 338.879 3.733 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccc(Cl)c2O)[C@@]12CCCO2 ZINC000806157671 1135403208 /nfs/dbraw/zinc/40/32/08/1135403208.db2.gz ATDCNEUNGJOJJN-CUSZFKRNSA-N 1 2 339.863 3.813 20 10 EHCDLO CC[C@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806162993 1135405016 /nfs/dbraw/zinc/40/50/16/1135405016.db2.gz KUTLGBXOOCLDRJ-FZMZJTMJSA-N 1 2 342.867 4.000 20 10 EHCDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000775738225 1135599282 /nfs/dbraw/zinc/59/92/82/1135599282.db2.gz WRGSVWCDXSODGX-CYBMUJFWSA-N 1 2 339.863 3.989 20 10 EHCDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000775738225 1135599287 /nfs/dbraw/zinc/59/92/87/1135599287.db2.gz WRGSVWCDXSODGX-CYBMUJFWSA-N 1 2 339.863 3.989 20 10 EHCDLO COc1cc2c(cc1C[NH2+]Cc1cccc(Cl)c1O)O[C@@H](C)C2 ZINC000775950895 1135896058 /nfs/dbraw/zinc/89/60/58/1135896058.db2.gz FOGNLKYWBGTTIX-NSHDSACASA-N 1 2 333.815 3.667 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC001201497997 1136028757 /nfs/dbraw/zinc/02/87/57/1136028757.db2.gz NHGPNSLULZQYOO-UHFFFAOYSA-N 1 2 339.439 3.723 20 10 EHCDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCn3cncc3C2)cc1 ZINC000811514920 1136104484 /nfs/dbraw/zinc/10/44/84/1136104484.db2.gz IXTXYWMSPUQTOW-UHFFFAOYSA-N 1 2 346.478 3.925 20 10 EHCDLO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CCn3cncc3C2)cc1 ZINC000811514920 1136104487 /nfs/dbraw/zinc/10/44/87/1136104487.db2.gz IXTXYWMSPUQTOW-UHFFFAOYSA-N 1 2 346.478 3.925 20 10 EHCDLO CSCC1(CC[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000850355244 1136240206 /nfs/dbraw/zinc/24/02/06/1136240206.db2.gz CFCGZOWOKQFYAW-UHFFFAOYSA-N 1 2 330.291 3.778 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000850409232 1136252286 /nfs/dbraw/zinc/25/22/86/1136252286.db2.gz OGUFFDYSHFUMLR-VNQPRFMTSA-N 1 2 348.215 3.722 20 10 EHCDLO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Br)cc(F)c1O ZINC000850525723 1136278104 /nfs/dbraw/zinc/27/81/04/1136278104.db2.gz QBXLOIMUOSKLGN-GXSJLCMTSA-N 1 2 344.224 3.656 20 10 EHCDLO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Br)c(F)cc1O ZINC000850537117 1136281606 /nfs/dbraw/zinc/28/16/06/1136281606.db2.gz RCCZCKOTBBQCEP-KRTXAFLBSA-N 1 2 338.167 3.990 20 10 EHCDLO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000851716523 1136400819 /nfs/dbraw/zinc/40/08/19/1136400819.db2.gz OBUNLOBWXXCWID-OAHLLOKOSA-N 1 2 327.476 3.550 20 10 EHCDLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000851716523 1136400821 /nfs/dbraw/zinc/40/08/21/1136400821.db2.gz OBUNLOBWXXCWID-OAHLLOKOSA-N 1 2 327.476 3.550 20 10 EHCDLO CC[N@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000851828792 1136412092 /nfs/dbraw/zinc/41/20/92/1136412092.db2.gz RPJAMJBSBLDKNU-INIZCTEOSA-N 1 2 332.488 3.806 20 10 EHCDLO CC[N@@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000851828792 1136412093 /nfs/dbraw/zinc/41/20/93/1136412093.db2.gz RPJAMJBSBLDKNU-INIZCTEOSA-N 1 2 332.488 3.806 20 10 EHCDLO Cn1ncc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1Cl ZINC000816477625 1136723072 /nfs/dbraw/zinc/72/30/72/1136723072.db2.gz DXSWBWXYIJOMMJ-UHFFFAOYSA-N 1 2 332.879 3.696 20 10 EHCDLO Cn1ncc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1Cl ZINC000816477625 1136723074 /nfs/dbraw/zinc/72/30/74/1136723074.db2.gz DXSWBWXYIJOMMJ-UHFFFAOYSA-N 1 2 332.879 3.696 20 10 EHCDLO Cn1c2ccccc2nc1C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816509901 1136729000 /nfs/dbraw/zinc/72/90/00/1136729000.db2.gz GHVUOPUZBAGKOI-UHFFFAOYSA-N 1 2 333.794 3.703 20 10 EHCDLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816509901 1136729004 /nfs/dbraw/zinc/72/90/04/1136729004.db2.gz GHVUOPUZBAGKOI-UHFFFAOYSA-N 1 2 333.794 3.703 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000817409714 1136805748 /nfs/dbraw/zinc/80/57/48/1136805748.db2.gz FCXIRODRWWZMHZ-LBPRGKRZSA-N 1 2 342.302 3.778 20 10 EHCDLO CC(C)(C)c1cc(C[NH+]2CCS(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000118948012 1137145628 /nfs/dbraw/zinc/14/56/28/1137145628.db2.gz OBOXLYHUBVKYQV-UHFFFAOYSA-N 1 2 337.529 3.552 20 10 EHCDLO C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000863547903 1137191693 /nfs/dbraw/zinc/19/16/93/1137191693.db2.gz SCBXMHZEYKNMDS-YWVKMMECSA-N 1 2 347.684 3.599 20 10 EHCDLO CCn1cc(C[N@H+](Cc2cc(Cl)cc(F)c2O)C(C)C)cn1 ZINC000846054826 1137330957 /nfs/dbraw/zinc/33/09/57/1137330957.db2.gz HCGSSFIINATESS-UHFFFAOYSA-N 1 2 325.815 3.812 20 10 EHCDLO CCn1cc(C[N@@H+](Cc2cc(Cl)cc(F)c2O)C(C)C)cn1 ZINC000846054826 1137330959 /nfs/dbraw/zinc/33/09/59/1137330959.db2.gz HCGSSFIINATESS-UHFFFAOYSA-N 1 2 325.815 3.812 20 10 EHCDLO COCc1cc[nH+]c(N[C@H](C)c2cc(Br)ccc2O)c1 ZINC000846210854 1137339866 /nfs/dbraw/zinc/33/98/66/1137339866.db2.gz AWVOLZZSSGTPTF-SNVBAGLBSA-N 1 2 337.217 3.869 20 10 EHCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000883084476 1137844077 /nfs/dbraw/zinc/84/40/77/1137844077.db2.gz SEUXHAUXIWSFRZ-UHFFFAOYSA-N 1 2 332.394 3.951 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCC[C@H]1CCCCO1 ZINC000883088212 1137844310 /nfs/dbraw/zinc/84/43/10/1137844310.db2.gz WZMSKWVYCYYMLJ-CYBMUJFWSA-N 1 2 346.240 3.733 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136676104 1138040696 /nfs/dbraw/zinc/04/06/96/1138040696.db2.gz QOSOXRIWWXBVIX-CYBMUJFWSA-N 1 2 340.261 3.736 20 10 EHCDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179570485 1139765258 /nfs/dbraw/zinc/76/52/58/1139765258.db2.gz KGPRJDSXTAXIMO-UHFFFAOYSA-N 1 2 332.831 3.733 20 10 EHCDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000179570485 1139765264 /nfs/dbraw/zinc/76/52/64/1139765264.db2.gz KGPRJDSXTAXIMO-UHFFFAOYSA-N 1 2 332.831 3.733 20 10 EHCDLO CCn1ncnc1C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000193458266 1140577313 /nfs/dbraw/zinc/57/73/13/1140577313.db2.gz UZTGLXPQPJEVAX-MRXNPFEDSA-N 1 2 336.439 3.767 20 10 EHCDLO CCn1ncnc1C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000193458266 1140577317 /nfs/dbraw/zinc/57/73/17/1140577317.db2.gz UZTGLXPQPJEVAX-MRXNPFEDSA-N 1 2 336.439 3.767 20 10 EHCDLO CC[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc(Cl)c1O ZINC000376831849 1017140899 /nfs/dbraw/zinc/14/08/99/1017140899.db2.gz BOILMJJLUGPUKY-MRXNPFEDSA-N 1 2 333.863 3.862 20 10 EHCDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894421762 1022261050 /nfs/dbraw/zinc/26/10/50/1022261050.db2.gz GMJMHBTYGZAFSM-JTQLQIEISA-N 1 2 339.208 3.882 20 10 EHCDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894421762 1022261054 /nfs/dbraw/zinc/26/10/54/1022261054.db2.gz GMJMHBTYGZAFSM-JTQLQIEISA-N 1 2 339.208 3.882 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000896424086 1025437360 /nfs/dbraw/zinc/43/73/60/1025437360.db2.gz XRLSLCHEESLEOA-CZUORRHYSA-N 1 2 325.742 3.746 20 10 EHCDLO CCc1nc([C@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)cs1 ZINC000273622751 1027523131 /nfs/dbraw/zinc/52/31/31/1027523131.db2.gz ZOHLTKZAAZWTOK-MNOVXSKESA-N 1 2 334.441 3.610 20 10 EHCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cn(-c2ccccc2)nn1 ZINC000186112870 1035585517 /nfs/dbraw/zinc/58/55/17/1035585517.db2.gz ICHBAFKGVAPYSU-QWHCGFSZSA-N 1 2 326.375 3.524 20 10 EHCDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(F)cc1O ZINC000186105184 1035586107 /nfs/dbraw/zinc/58/61/07/1035586107.db2.gz GSGXPAMHKHIVQE-NSHDSACASA-N 1 2 329.400 3.901 20 10 EHCDLO Cn1cc([C@@H]([NH2+]Cc2cccc(Cl)c2O)c2ccc(F)cc2)cn1 ZINC000187527049 1035836233 /nfs/dbraw/zinc/83/62/33/1035836233.db2.gz VLRYXVXUVVPDEJ-KRWDZBQOSA-N 1 2 345.805 3.797 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000191320367 1036366769 /nfs/dbraw/zinc/36/67/69/1036366769.db2.gz BFJOASYPOBMNNO-UHFFFAOYSA-N 1 2 349.818 3.993 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282246968 1128129799 /nfs/dbraw/zinc/12/97/99/1128129799.db2.gz AYQPUCLXKXHYCO-HNNXBMFYSA-N 1 2 345.874 3.958 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282246968 1128129801 /nfs/dbraw/zinc/12/98/01/1128129801.db2.gz AYQPUCLXKXHYCO-HNNXBMFYSA-N 1 2 345.874 3.958 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000715768940 1129348984 /nfs/dbraw/zinc/34/89/84/1129348984.db2.gz GWMUCZVOVXJTAP-MXWKQRLJSA-N 1 2 328.225 3.820 20 10 EHCDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)c(O)cc1C ZINC000768452720 1133141243 /nfs/dbraw/zinc/14/12/43/1133141243.db2.gz RRPGQVGCLLHPFU-IBGZPJMESA-N 1 2 347.842 3.936 20 10 EHCDLO COc1cc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)c(O)cc1C ZINC000768452720 1133141246 /nfs/dbraw/zinc/14/12/46/1133141246.db2.gz RRPGQVGCLLHPFU-IBGZPJMESA-N 1 2 347.842 3.936 20 10 EHCDLO CN(C)c1ccc(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)cc1F ZINC000768917981 1133202960 /nfs/dbraw/zinc/20/29/60/1133202960.db2.gz CUMHAVNWMODOON-UHFFFAOYSA-N 1 2 338.430 3.709 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)cc1F ZINC000768917981 1133202965 /nfs/dbraw/zinc/20/29/65/1133202965.db2.gz CUMHAVNWMODOON-UHFFFAOYSA-N 1 2 338.430 3.709 20 10 EHCDLO CCOc1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c(O)c1 ZINC000769326738 1133262786 /nfs/dbraw/zinc/26/27/86/1133262786.db2.gz GETCPUSOQKBHIZ-UHFFFAOYSA-N 1 2 337.423 3.716 20 10 EHCDLO CCOc1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c(O)c1 ZINC000769326738 1133262792 /nfs/dbraw/zinc/26/27/92/1133262792.db2.gz GETCPUSOQKBHIZ-UHFFFAOYSA-N 1 2 337.423 3.716 20 10 EHCDLO CCOc1ccc(C[N@@H+]2CCSC[C@@H]2c2nccs2)c(O)c1 ZINC000770673740 1133458155 /nfs/dbraw/zinc/45/81/55/1133458155.db2.gz GUPSGMZSOXXRRW-CQSZACIVSA-N 1 2 336.482 3.538 20 10 EHCDLO CCOc1ccc(C[N@H+]2CCSC[C@@H]2c2nccs2)c(O)c1 ZINC000770673740 1133458160 /nfs/dbraw/zinc/45/81/60/1133458160.db2.gz GUPSGMZSOXXRRW-CQSZACIVSA-N 1 2 336.482 3.538 20 10 EHCDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1=CC(=O)CS1 ZINC000774415951 1133673950 /nfs/dbraw/zinc/67/39/50/1133673950.db2.gz BCGBSVMMUYYCBO-UHFFFAOYSA-N 1 2 339.420 3.906 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000785764164 1133750102 /nfs/dbraw/zinc/75/01/02/1133750102.db2.gz QHXASEJOHCNPFX-LJQANCHMSA-N 1 2 347.466 3.875 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000785764164 1133750105 /nfs/dbraw/zinc/75/01/05/1133750105.db2.gz QHXASEJOHCNPFX-LJQANCHMSA-N 1 2 347.466 3.875 20 10 EHCDLO COC(=O)[C@H](C[C@H]1CCCc2ccccc21)[NH2+]Cc1ccccc1O ZINC000789579357 1134297649 /nfs/dbraw/zinc/29/76/49/1134297649.db2.gz GWEFWZDCPROZSM-APWZRJJASA-N 1 2 339.435 3.534 20 10 EHCDLO CCn1c(C[NH2+]Cc2c(O)ccc(Cl)c2F)nc2ccccc21 ZINC000790959968 1134485605 /nfs/dbraw/zinc/48/56/05/1134485605.db2.gz OQDPXGSEWXHVOU-UHFFFAOYSA-N 1 2 333.794 3.844 20 10 EHCDLO C[C@@H]1C[C@@H]([NH2+]CCc2ccc3cn[nH]c3c2)c2c1c(F)ccc2O ZINC000793576003 1134961854 /nfs/dbraw/zinc/96/18/54/1134961854.db2.gz XBYKZFVZGYMSKO-BDJLRTHQSA-N 1 2 325.387 3.788 20 10 EHCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2O)[C@@H](c2ccccc2)C1 ZINC000775633812 1135364109 /nfs/dbraw/zinc/36/41/09/1135364109.db2.gz LECZHAGEHRQWAM-QGZVFWFLSA-N 1 2 334.822 3.673 20 10 EHCDLO C[N@H+]1CCN(Cc2cc(Cl)cc(F)c2O)[C@@H](c2ccccc2)C1 ZINC000775633812 1135364114 /nfs/dbraw/zinc/36/41/14/1135364114.db2.gz LECZHAGEHRQWAM-QGZVFWFLSA-N 1 2 334.822 3.673 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cccc(Cl)c1O ZINC000806129613 1135396551 /nfs/dbraw/zinc/39/65/51/1135396551.db2.gz YZMJMRYTWMAXGR-IUODEOHRSA-N 1 2 333.815 3.926 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1O ZINC000806144348 1135400825 /nfs/dbraw/zinc/40/08/25/1135400825.db2.gz PXUCONXEMWVCRW-DLBZAZTESA-N 1 2 344.842 3.892 20 10 EHCDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000809652431 1135866000 /nfs/dbraw/zinc/86/60/00/1135866000.db2.gz VHNJAFJGUDGLMM-OAHLLOKOSA-N 1 2 348.450 3.792 20 10 EHCDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000809726657 1135880089 /nfs/dbraw/zinc/88/00/89/1135880089.db2.gz RRSXFVJYBOZDKB-CQSZACIVSA-N 1 2 340.851 3.536 20 10 EHCDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000809726657 1135880091 /nfs/dbraw/zinc/88/00/91/1135880091.db2.gz RRSXFVJYBOZDKB-CQSZACIVSA-N 1 2 340.851 3.536 20 10 EHCDLO OC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000809779752 1135889969 /nfs/dbraw/zinc/88/99/69/1135889969.db2.gz YPYFEFNSFFXUQB-GFCCVEGCSA-N 1 2 344.213 3.704 20 10 EHCDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775982234 1135910516 /nfs/dbraw/zinc/91/05/16/1135910516.db2.gz ZYCOQENKBKJAGS-LJQANCHMSA-N 1 2 347.459 3.586 20 10 EHCDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775982234 1135910517 /nfs/dbraw/zinc/91/05/17/1135910517.db2.gz ZYCOQENKBKJAGS-LJQANCHMSA-N 1 2 347.459 3.586 20 10 EHCDLO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000810245302 1135947704 /nfs/dbraw/zinc/94/77/04/1135947704.db2.gz YPRZMGGJXHWAGN-WDEREUQCSA-N 1 2 347.272 3.673 20 10 EHCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](CC)c2cc(Cl)ccc2O)no1 ZINC000810256462 1135949533 /nfs/dbraw/zinc/94/95/33/1135949533.db2.gz ZYAFHILKHLLEAP-GWCFXTLKSA-N 1 2 339.823 3.767 20 10 EHCDLO CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1)c1cccc(Cl)c1O ZINC000850500658 1136272514 /nfs/dbraw/zinc/27/25/14/1136272514.db2.gz GBSSQMCRYIVQQC-MGBSGCIJSA-N 1 2 341.879 3.652 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000816556926 1136736367 /nfs/dbraw/zinc/73/63/67/1136736367.db2.gz YNIMGHCKYYVLLQ-UHFFFAOYSA-N 1 2 349.818 3.993 20 10 EHCDLO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559834 1136736716 /nfs/dbraw/zinc/73/67/16/1136736716.db2.gz WIWLDFKFQWLQRA-QLJPJBMISA-N 1 2 341.785 3.926 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000816569000 1136737977 /nfs/dbraw/zinc/73/79/77/1136737977.db2.gz WBDBVINRGGFWNU-GFCCVEGCSA-N 1 2 329.705 3.686 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000816615992 1136741727 /nfs/dbraw/zinc/74/17/27/1136741727.db2.gz LNOYLYMJVOTOOW-CVEARBPZSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000816615992 1136741729 /nfs/dbraw/zinc/74/17/29/1136741729.db2.gz LNOYLYMJVOTOOW-CVEARBPZSA-N 1 2 325.811 3.718 20 10 EHCDLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCO1 ZINC000817587158 1136826005 /nfs/dbraw/zinc/82/60/05/1136826005.db2.gz VJYDVLFUBNKKEB-ZMLRMANQSA-N 1 2 346.240 3.902 20 10 EHCDLO Cc1cc(O)c(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1Cl ZINC000824813723 1137153577 /nfs/dbraw/zinc/15/35/77/1137153577.db2.gz IJNOKKZQPORODU-OAHLLOKOSA-N 1 2 345.874 3.628 20 10 EHCDLO COc1cccc2c1C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000863320501 1137181066 /nfs/dbraw/zinc/18/10/66/1137181066.db2.gz XNFJYOZHCDHKHD-UHFFFAOYSA-N 1 2 327.424 3.920 20 10 EHCDLO COc1cccc2c1C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000863320501 1137181067 /nfs/dbraw/zinc/18/10/67/1137181067.db2.gz XNFJYOZHCDHKHD-UHFFFAOYSA-N 1 2 327.424 3.920 20 10 EHCDLO CCS[C@@H](C)c1noc(C[N@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000119440417 1137183810 /nfs/dbraw/zinc/18/38/10/1137183810.db2.gz AGJJNCLNWVEFBY-ZDUSSCGKSA-N 1 2 335.473 3.838 20 10 EHCDLO CCS[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000119440417 1137183811 /nfs/dbraw/zinc/18/38/11/1137183811.db2.gz AGJJNCLNWVEFBY-ZDUSSCGKSA-N 1 2 335.473 3.838 20 10 EHCDLO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2O)cc1OC ZINC000877035262 1137668309 /nfs/dbraw/zinc/66/83/09/1137668309.db2.gz FXGSZJHKSRBYGY-VIFPVBQESA-N 1 2 341.329 3.678 20 10 EHCDLO CC(C)COC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccco1 ZINC000882951693 1137839539 /nfs/dbraw/zinc/83/95/39/1137839539.db2.gz QWARHVLWPUOFON-HNNXBMFYSA-N 1 2 325.355 3.767 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc2ccccc2n1C ZINC000883012691 1137841532 /nfs/dbraw/zinc/84/15/32/1137841532.db2.gz ORGLDSHTFDVAIF-LBPRGKRZSA-N 1 2 344.409 3.768 20 10 EHCDLO CC1(C)C[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000883140306 1137846090 /nfs/dbraw/zinc/84/60/90/1137846090.db2.gz PIIROSSKCGXUFD-JTQLQIEISA-N 1 2 346.240 3.589 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1cccc(C)c1O)[C@@H](C)c1ccccc1 ZINC000777440642 1140289809 /nfs/dbraw/zinc/28/98/09/1140289809.db2.gz IJWWUEOFNOMXLY-INIZCTEOSA-N 1 2 327.424 3.827 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1cccc(C)c1O)[C@@H](C)c1ccccc1 ZINC000777440642 1140289813 /nfs/dbraw/zinc/28/98/13/1140289813.db2.gz IJWWUEOFNOMXLY-INIZCTEOSA-N 1 2 327.424 3.827 20 10 EHCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H]1CCCCO1 ZINC000708147230 1028176271 /nfs/dbraw/zinc/17/62/71/1028176271.db2.gz WEUSYDPSKMTPPI-LBPRGKRZSA-N 1 2 348.668 3.809 20 10 EHCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H]1CCCCO1 ZINC000708147230 1028176283 /nfs/dbraw/zinc/17/62/83/1028176283.db2.gz WEUSYDPSKMTPPI-LBPRGKRZSA-N 1 2 348.668 3.809 20 10 EHCDLO C[C@@H]([NH2+][C@H](c1nccn1C)c1cccc(F)c1)c1ccc(F)cc1O ZINC000184959492 1032347773 /nfs/dbraw/zinc/34/77/73/1032347773.db2.gz INDUUJQCBVOZPF-XIKOKIGWSA-N 1 2 343.377 3.844 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1cccc(Cl)c1O ZINC000376835474 1017156545 /nfs/dbraw/zinc/15/65/45/1017156545.db2.gz UEKVIXOZCKZDGJ-CJNGLKHVSA-N 1 2 331.847 3.742 20 10 EHCDLO COC1(OC)CC2(C[N@H+](Cc3cccc(Cl)c3O)[C@@H]2C(C)C)C1 ZINC000895989762 1025048141 /nfs/dbraw/zinc/04/81/41/1025048141.db2.gz OTTQKMNHGAUQQO-MRXNPFEDSA-N 1 2 339.863 3.655 20 10 EHCDLO COC1(OC)CC2(C[N@@H+](Cc3cccc(Cl)c3O)[C@@H]2C(C)C)C1 ZINC000895989762 1025048156 /nfs/dbraw/zinc/04/81/56/1025048156.db2.gz OTTQKMNHGAUQQO-MRXNPFEDSA-N 1 2 339.863 3.655 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896812460 1026060227 /nfs/dbraw/zinc/06/02/27/1026060227.db2.gz VDXIWMJUFZVSDR-JQWIXIFHSA-N 1 2 341.732 3.774 20 10 EHCDLO COc1cccc([C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)OC)c1 ZINC000529637486 1034324287 /nfs/dbraw/zinc/32/42/87/1034324287.db2.gz AZSAROMJYZSIET-MRXNPFEDSA-N 1 2 339.794 3.671 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1O ZINC000761202801 1034407383 /nfs/dbraw/zinc/40/73/83/1034407383.db2.gz MLNUJPJFBLBNBI-UHFFFAOYSA-N 1 2 348.786 3.521 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1O ZINC000761202801 1034407389 /nfs/dbraw/zinc/40/73/89/1034407389.db2.gz MLNUJPJFBLBNBI-UHFFFAOYSA-N 1 2 348.786 3.521 20 10 EHCDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(F)cc1O ZINC000186112851 1035586654 /nfs/dbraw/zinc/58/66/54/1035586654.db2.gz ICHBAFKGVAPYSU-OLZOCXBDSA-N 1 2 326.375 3.524 20 10 EHCDLO CC(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1O)NC(=O)OC(C)(C)C ZINC000224811883 1037186522 /nfs/dbraw/zinc/18/65/22/1037186522.db2.gz QHSZZNNYDDFKEE-CQSZACIVSA-N 1 2 342.867 3.685 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC3CCC3)CC2)c1O ZINC000842162839 1039489267 /nfs/dbraw/zinc/48/92/67/1039489267.db2.gz ZJOBDFIYUOZSKS-UHFFFAOYSA-N 1 2 337.847 3.782 20 10 EHCDLO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756534577 1040141862 /nfs/dbraw/zinc/14/18/62/1040141862.db2.gz KGHMTASUGUARGS-QWRGUYRKSA-N 1 2 347.272 3.675 20 10 EHCDLO [NH3+][C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1c1ccccc1 ZINC000319178579 1040376002 /nfs/dbraw/zinc/37/60/02/1040376002.db2.gz MZXNUDRVKPSFID-GOEBONIOSA-N 1 2 337.250 3.626 20 10 EHCDLO Cc1cc(NCc2cccc(Br)c2O)nc(C(C)C)[nH+]1 ZINC000764934816 1127555988 /nfs/dbraw/zinc/55/59/88/1127555988.db2.gz MUIFUABZVHWMMH-UHFFFAOYSA-N 1 2 336.233 3.989 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000715818716 1129602934 /nfs/dbraw/zinc/60/29/34/1129602934.db2.gz QNZLEANRUAGOJN-UHFFFAOYSA-N 1 2 338.167 3.915 20 10 EHCDLO CCS[C@H](C)c1noc(C[N@H+](C)Cc2cc(C)cc(C)c2O)n1 ZINC000164523563 1129980142 /nfs/dbraw/zinc/98/01/42/1129980142.db2.gz JOGSKPAHSVWUAO-CYBMUJFWSA-N 1 2 335.473 3.838 20 10 EHCDLO CCS[C@H](C)c1noc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)n1 ZINC000164523563 1129980144 /nfs/dbraw/zinc/98/01/44/1129980144.db2.gz JOGSKPAHSVWUAO-CYBMUJFWSA-N 1 2 335.473 3.838 20 10 EHCDLO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC001179771372 1133277200 /nfs/dbraw/zinc/27/72/00/1133277200.db2.gz AYKFUEWRPXWJJN-RHSMWYFYSA-N 1 2 330.859 3.971 20 10 EHCDLO Oc1cc2c(cc1C[N@@H+]1CCSC[C@H]1c1nccs1)CCC2 ZINC000769803143 1133349006 /nfs/dbraw/zinc/34/90/06/1133349006.db2.gz VMSLVWOCGRNDCC-HNNXBMFYSA-N 1 2 332.494 3.628 20 10 EHCDLO Oc1cc2c(cc1C[N@H+]1CCSC[C@H]1c1nccs1)CCC2 ZINC000769803143 1133349012 /nfs/dbraw/zinc/34/90/12/1133349012.db2.gz VMSLVWOCGRNDCC-HNNXBMFYSA-N 1 2 332.494 3.628 20 10 EHCDLO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(Cl)c1O ZINC000806136158 1135389635 /nfs/dbraw/zinc/38/96/35/1135389635.db2.gz TVONKEWWUMWHRS-GWCFXTLKSA-N 1 2 336.785 3.723 20 10 EHCDLO CC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(Cl)c1O ZINC000806136348 1135389782 /nfs/dbraw/zinc/38/97/82/1135389782.db2.gz WYXMVLYRDSWIHS-AWEZNQCLSA-N 1 2 332.822 3.816 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccc(Cl)c2O)[C@]12CCCO2 ZINC000806157679 1135403529 /nfs/dbraw/zinc/40/35/29/1135403529.db2.gz ATDCNEUNGJOJJN-LISAXSMJSA-N 1 2 339.863 3.813 20 10 EHCDLO Cn1cc[nH+]c1CCNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278638 1135404621 /nfs/dbraw/zinc/40/46/21/1135404621.db2.gz LYPRVQIDLFYWNU-GHVJWSGMSA-N 1 2 349.394 3.514 20 10 EHCDLO CC[C@@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1cccc(Cl)c1O ZINC000806162213 1135405777 /nfs/dbraw/zinc/40/57/77/1135405777.db2.gz YLSNVVVMBYNNQS-MAUKXSAKSA-N 1 2 333.859 3.998 20 10 EHCDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)cc(F)c1O ZINC000809688662 1135871920 /nfs/dbraw/zinc/87/19/20/1135871920.db2.gz NRPIALZIHPLAGV-UHFFFAOYSA-N 1 2 338.766 3.767 20 10 EHCDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)cc(F)c1O ZINC000809688662 1135871923 /nfs/dbraw/zinc/87/19/23/1135871923.db2.gz NRPIALZIHPLAGV-UHFFFAOYSA-N 1 2 338.766 3.767 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCN1CCc2ccccc21 ZINC001199111372 1135882465 /nfs/dbraw/zinc/88/24/65/1135882465.db2.gz YJAYTCUGKMSUCI-UHFFFAOYSA-N 1 2 334.822 3.727 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc2c(c1)CCC(=O)N2 ZINC000809741015 1135883875 /nfs/dbraw/zinc/88/38/75/1135883875.db2.gz NLYFISKJJKTNJH-JTQLQIEISA-N 1 2 348.805 3.920 20 10 EHCDLO CCN(CC)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccco1 ZINC000776115902 1135960323 /nfs/dbraw/zinc/96/03/23/1135960323.db2.gz YFYAHXJNOVOUQD-HNNXBMFYSA-N 1 2 340.826 3.950 20 10 EHCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(F)ncc1F ZINC000813334705 1136319804 /nfs/dbraw/zinc/31/98/04/1136319804.db2.gz VEFMATFUQNPVJL-UHFFFAOYSA-N 1 2 331.410 3.982 20 10 EHCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(F)ncc1F ZINC000813334705 1136319808 /nfs/dbraw/zinc/31/98/08/1136319808.db2.gz VEFMATFUQNPVJL-UHFFFAOYSA-N 1 2 331.410 3.982 20 10 EHCDLO CCc1nnc([C@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000851716522 1136400846 /nfs/dbraw/zinc/40/08/46/1136400846.db2.gz OBUNLOBWXXCWID-HNNXBMFYSA-N 1 2 327.476 3.550 20 10 EHCDLO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000851716522 1136400849 /nfs/dbraw/zinc/40/08/49/1136400849.db2.gz OBUNLOBWXXCWID-HNNXBMFYSA-N 1 2 327.476 3.550 20 10 EHCDLO CC(C)(C)CCNC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232798 1136524827 /nfs/dbraw/zinc/52/48/27/1136524827.db2.gz PIFSNSSLAWVNLX-UHFFFAOYSA-N 1 2 344.455 3.540 20 10 EHCDLO CC(C)(C)CCNC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232798 1136524829 /nfs/dbraw/zinc/52/48/29/1136524829.db2.gz PIFSNSSLAWVNLX-UHFFFAOYSA-N 1 2 344.455 3.540 20 10 EHCDLO C[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccc2ccccc2c1O ZINC000815657656 1136622945 /nfs/dbraw/zinc/62/29/45/1136622945.db2.gz FAYNMOQPWFKOOX-HNNXBMFYSA-N 1 2 344.418 3.977 20 10 EHCDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc3ccccc3c2O)n1 ZINC000816516733 1136729782 /nfs/dbraw/zinc/72/97/82/1136729782.db2.gz OKKBKVCTDVPOCA-ZDUSSCGKSA-N 1 2 341.411 3.658 20 10 EHCDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc3ccccc3c2O)n1 ZINC000816516733 1136729786 /nfs/dbraw/zinc/72/97/86/1136729786.db2.gz OKKBKVCTDVPOCA-ZDUSSCGKSA-N 1 2 341.411 3.658 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1cc(F)cc(F)c1O ZINC000776869138 1136749619 /nfs/dbraw/zinc/74/96/19/1136749619.db2.gz WFMDXZTZDJWQAS-JTQLQIEISA-N 1 2 340.370 3.824 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cccc(Cl)c1O ZINC000857878520 1136917431 /nfs/dbraw/zinc/91/74/31/1136917431.db2.gz ZQPFEUUUEZHTQK-IAGOWNOFSA-N 1 2 344.842 3.800 20 10 EHCDLO CC[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cccc(Cl)c1O ZINC000857878522 1136917529 /nfs/dbraw/zinc/91/75/29/1136917529.db2.gz ZQPFEUUUEZHTQK-SJORKVTESA-N 1 2 344.842 3.800 20 10 EHCDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000858012668 1136931203 /nfs/dbraw/zinc/93/12/03/1136931203.db2.gz KQBYIUSRBASPPI-CQSZACIVSA-N 1 2 336.794 3.541 20 10 EHCDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000858012668 1136931206 /nfs/dbraw/zinc/93/12/06/1136931206.db2.gz KQBYIUSRBASPPI-CQSZACIVSA-N 1 2 336.794 3.541 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc(Cl)c1O ZINC000858479129 1136971898 /nfs/dbraw/zinc/97/18/98/1136971898.db2.gz IZJCDRSXBPDYIN-BXUZGUMPSA-N 1 2 332.822 3.816 20 10 EHCDLO Cc1cc(O)c(CNc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000825002422 1137159683 /nfs/dbraw/zinc/15/96/83/1137159683.db2.gz ISLXFMFRNJOAIB-UHFFFAOYSA-N 1 2 346.858 3.798 20 10 EHCDLO Cc1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)n1-c1ccccc1 ZINC000863164047 1137172144 /nfs/dbraw/zinc/17/21/44/1137172144.db2.gz YBRRRZHDGLIMCP-HNNXBMFYSA-N 1 2 336.439 3.558 20 10 EHCDLO Cc1cc(O)c(CNc2cc(CSCCO)cc[nH+]2)cc1Cl ZINC000825395969 1137176444 /nfs/dbraw/zinc/17/64/44/1137176444.db2.gz NQMKVCUTLFWMFU-UHFFFAOYSA-N 1 2 338.860 3.587 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC001137046479 1137180710 /nfs/dbraw/zinc/18/07/10/1137180710.db2.gz DMJDXJGFBZYHII-UHFFFAOYSA-N 1 2 346.434 3.622 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC001137046479 1137180711 /nfs/dbraw/zinc/18/07/11/1137180711.db2.gz DMJDXJGFBZYHII-UHFFFAOYSA-N 1 2 346.434 3.622 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC001137046479 1137180713 /nfs/dbraw/zinc/18/07/13/1137180713.db2.gz DMJDXJGFBZYHII-UHFFFAOYSA-N 1 2 346.434 3.622 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC001137046479 1137180714 /nfs/dbraw/zinc/18/07/14/1137180714.db2.gz DMJDXJGFBZYHII-UHFFFAOYSA-N 1 2 346.434 3.622 20 10 EHCDLO Cc1cc(NCc2cc(Br)ccc2O)[nH+]c2cc[nH]c21 ZINC001171176649 1137286649 /nfs/dbraw/zinc/28/66/49/1137286649.db2.gz UEZJRVBUHFTFRD-UHFFFAOYSA-N 1 2 332.201 3.952 20 10 EHCDLO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000846204232 1137339281 /nfs/dbraw/zinc/33/92/81/1137339281.db2.gz XIMLAOXKNCSHJL-CUOATXAZSA-N 1 2 346.240 3.902 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1cccc(Cl)c1O ZINC000866427538 1137354156 /nfs/dbraw/zinc/35/41/56/1137354156.db2.gz LRIIFXGHZWALPZ-IUODEOHRSA-N 1 2 327.852 3.876 20 10 EHCDLO Oc1c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)ccc(F)c1F ZINC000876770087 1137660793 /nfs/dbraw/zinc/66/07/93/1137660793.db2.gz IKVJUAVVCKNQTL-HNNXBMFYSA-N 1 2 333.378 3.709 20 10 EHCDLO Oc1c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)ccc(F)c1F ZINC000876770087 1137660794 /nfs/dbraw/zinc/66/07/94/1137660794.db2.gz IKVJUAVVCKNQTL-HNNXBMFYSA-N 1 2 333.378 3.709 20 10 EHCDLO CC[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000886520449 1138088851 /nfs/dbraw/zinc/08/88/51/1138088851.db2.gz FEKGQPSQRXGYLR-JSGCOSHPSA-N 1 2 332.423 3.651 20 10 EHCDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2Cc2cc(C)ccc2O)o1 ZINC000092355961 1138226928 /nfs/dbraw/zinc/22/69/28/1138226928.db2.gz ZBLPILBKJLPOQR-SFHVURJKSA-N 1 2 335.407 3.692 20 10 EHCDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2Cc2cc(C)ccc2O)o1 ZINC000092355961 1138226930 /nfs/dbraw/zinc/22/69/30/1138226930.db2.gz ZBLPILBKJLPOQR-SFHVURJKSA-N 1 2 335.407 3.692 20 10 EHCDLO CCSCc1ccc[nH+]c1NCc1ccc(OC)c(OC)c1O ZINC000896030425 1025095236 /nfs/dbraw/zinc/09/52/36/1025095236.db2.gz LBLDSYLIJXKMHY-UHFFFAOYSA-N 1 2 334.441 3.670 20 10 EHCDLO COc1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1O ZINC000896423941 1025436376 /nfs/dbraw/zinc/43/63/76/1025436376.db2.gz WNFVWPCNUKXMIX-CJNGLKHVSA-N 1 2 337.778 3.616 20 10 EHCDLO COc1cc(Cl)cc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1O ZINC000896423942 1025437080 /nfs/dbraw/zinc/43/70/80/1025437080.db2.gz WNFVWPCNUKXMIX-CZUORRHYSA-N 1 2 337.778 3.616 20 10 EHCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(N2CC=CC2)cc1 ZINC000301855610 1026965382 /nfs/dbraw/zinc/96/53/82/1026965382.db2.gz BXUKLJFUESXWMW-UHFFFAOYSA-N 1 2 348.454 3.570 20 10 EHCDLO COc1ccc(O)c([C@H](C)[NH2+]C2(c3noc(C)n3)CCCCC2)c1 ZINC000273476542 1027447852 /nfs/dbraw/zinc/44/78/52/1027447852.db2.gz KVLUAWCAFPPRIJ-LBPRGKRZSA-N 1 2 331.416 3.602 20 10 EHCDLO CC[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cccc(Cl)c1O ZINC000841764653 1029629358 /nfs/dbraw/zinc/62/93/58/1029629358.db2.gz YIDDLUGNINMHIX-OAHLLOKOSA-N 1 2 341.879 3.654 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1csc(C2CC2)n1)C[C@@H]1CCCO1 ZINC000163105514 1029940095 /nfs/dbraw/zinc/94/00/95/1029940095.db2.gz IIAKUIRZGMFBMR-KRWDZBQOSA-N 1 2 344.480 3.907 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1csc(C2CC2)n1)C[C@@H]1CCCO1 ZINC000163105514 1029940109 /nfs/dbraw/zinc/94/01/09/1029940109.db2.gz IIAKUIRZGMFBMR-KRWDZBQOSA-N 1 2 344.480 3.907 20 10 EHCDLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1F)c1ccccc1O ZINC000360012807 1030715122 /nfs/dbraw/zinc/71/51/22/1030715122.db2.gz DDTWXXBCAGDOBJ-SCLBCKFNSA-N 1 2 325.387 3.705 20 10 EHCDLO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Br)c(F)cc1O ZINC000527932451 1031496292 /nfs/dbraw/zinc/49/62/92/1031496292.db2.gz TVPFAZXDZODSKR-QWRGUYRKSA-N 1 2 346.240 3.761 20 10 EHCDLO CCc1noc([C@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000133560959 1031647758 /nfs/dbraw/zinc/64/77/58/1031647758.db2.gz UOPYJIWJULCFES-HNNXBMFYSA-N 1 2 328.460 3.815 20 10 EHCDLO CCc1noc([C@H](C)[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000133560959 1031647812 /nfs/dbraw/zinc/64/78/12/1031647812.db2.gz UOPYJIWJULCFES-HNNXBMFYSA-N 1 2 328.460 3.815 20 10 EHCDLO COC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2O)[nH]c1C(C)C ZINC000898215829 1033373166 /nfs/dbraw/zinc/37/31/66/1033373166.db2.gz RQBPSLVHAPBCMK-UHFFFAOYSA-N 1 2 336.819 3.574 20 10 EHCDLO OC[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000761226930 1034820420 /nfs/dbraw/zinc/82/04/20/1034820420.db2.gz XHQMMRPIYDAWOA-GOSISDBHSA-N 1 2 349.833 3.958 20 10 EHCDLO OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000761226930 1034820430 /nfs/dbraw/zinc/82/04/30/1034820430.db2.gz XHQMMRPIYDAWOA-GOSISDBHSA-N 1 2 349.833 3.958 20 10 EHCDLO C[C@](CO)([NH2+]Cc1cccc(Br)c1O)C1CCCCC1 ZINC000152762235 1037677822 /nfs/dbraw/zinc/67/78/22/1037677822.db2.gz MELPLRCYGDKZRB-MRXNPFEDSA-N 1 2 342.277 3.576 20 10 EHCDLO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000894047842 1040007687 /nfs/dbraw/zinc/00/76/87/1040007687.db2.gz XMYHKQHNEUVUKN-CHWSQXEVSA-N 1 2 328.250 3.592 20 10 EHCDLO Cc1nc(NCc2cccc(Br)c2O)c2c([nH+]1)CCCC2 ZINC000764934842 1127555891 /nfs/dbraw/zinc/55/58/91/1127555891.db2.gz NXBDKXVIJYLDED-UHFFFAOYSA-N 1 2 348.244 3.744 20 10 EHCDLO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cc(F)cc(F)c1O ZINC000765820471 1128469497 /nfs/dbraw/zinc/46/94/97/1128469497.db2.gz XZHXFMPTMJNEEB-QGHHPUGFSA-N 1 2 341.785 3.882 20 10 EHCDLO C[C@H](c1nnc(Sc2nccs2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000914863062 1121016034 /nfs/dbraw/zinc/01/60/34/1121016034.db2.gz UGGKDFNDMIEFFV-SNVBAGLBSA-N 1 2 349.460 3.637 20 10 EHCDLO C[N@H+](CCc1ccccc1)Cc1cc(Br)cc(F)c1O ZINC000715753592 1129149525 /nfs/dbraw/zinc/14/95/25/1129149525.db2.gz NXVBTECUTMGBDL-UHFFFAOYSA-N 1 2 338.220 3.968 20 10 EHCDLO C[N@@H+](CCc1ccccc1)Cc1cc(Br)cc(F)c1O ZINC000715753592 1129149527 /nfs/dbraw/zinc/14/95/27/1129149527.db2.gz NXVBTECUTMGBDL-UHFFFAOYSA-N 1 2 338.220 3.968 20 10 EHCDLO Cc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(C2CC2)[nH+]1 ZINC000734834913 1131284070 /nfs/dbraw/zinc/28/40/70/1131284070.db2.gz MJQRUIXYQMQIFU-HNNXBMFYSA-N 1 2 338.455 3.672 20 10 EHCDLO COc1ccc(O)c([C@@H](C)[NH2+]CC(F)(F)c2ccc(F)cc2)c1 ZINC001168711327 1129338006 /nfs/dbraw/zinc/33/80/06/1129338006.db2.gz ABDXBYNSGNWENV-LLVKDONJSA-N 1 2 325.330 3.983 20 10 EHCDLO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000768235584 1133116677 /nfs/dbraw/zinc/11/66/77/1133116677.db2.gz AIHXAJPKULXMHQ-QGZVFWFLSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1ccc(Br)cc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000768235584 1133116679 /nfs/dbraw/zinc/11/66/79/1133116679.db2.gz AIHXAJPKULXMHQ-QGZVFWFLSA-N 1 2 348.240 3.728 20 10 EHCDLO C[C@H]1SCC[N@H+](Cc2cc(Br)cc(F)c2O)[C@H]1C ZINC001180198488 1133348073 /nfs/dbraw/zinc/34/80/73/1133348073.db2.gz BPNSUVZJNSWNSZ-DTWKUNHWSA-N 1 2 334.254 3.620 20 10 EHCDLO C[C@H]1SCC[N@@H+](Cc2cc(Br)cc(F)c2O)[C@H]1C ZINC001180198488 1133348077 /nfs/dbraw/zinc/34/80/77/1133348077.db2.gz BPNSUVZJNSWNSZ-DTWKUNHWSA-N 1 2 334.254 3.620 20 10 EHCDLO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000769997261 1133375227 /nfs/dbraw/zinc/37/52/27/1133375227.db2.gz XYTKNBHJVCOUHH-QLCCLCOCSA-N 1 2 348.668 3.786 20 10 EHCDLO COC(=O)C(C)(C)CC[N@@H+]1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001182471374 1133688149 /nfs/dbraw/zinc/68/81/49/1133688149.db2.gz VGWVPSQEWVTQQH-MRXNPFEDSA-N 1 2 333.472 3.919 20 10 EHCDLO COC(=O)C(C)(C)CC[N@H+]1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001182471374 1133688152 /nfs/dbraw/zinc/68/81/52/1133688152.db2.gz VGWVPSQEWVTQQH-MRXNPFEDSA-N 1 2 333.472 3.919 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787289144 1133985348 /nfs/dbraw/zinc/98/53/48/1133985348.db2.gz DQKRJZOAMFQRRG-CYBMUJFWSA-N 1 2 336.794 3.623 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787289144 1133985351 /nfs/dbraw/zinc/98/53/51/1133985351.db2.gz DQKRJZOAMFQRRG-CYBMUJFWSA-N 1 2 336.794 3.623 20 10 EHCDLO CC(C)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nnc2ccccn21 ZINC000790955250 1134484813 /nfs/dbraw/zinc/48/48/13/1134484813.db2.gz PDFQGFQTKYXYTL-MRXNPFEDSA-N 1 2 348.809 3.714 20 10 EHCDLO Oc1ccc(Cl)c(F)c1CN1CC[NH+](Cc2cccs2)CC1 ZINC000792157274 1134659249 /nfs/dbraw/zinc/65/92/49/1134659249.db2.gz QFBVWOIQNPMGHV-UHFFFAOYSA-N 1 2 340.851 3.564 20 10 EHCDLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1O ZINC000775527736 1135013417 /nfs/dbraw/zinc/01/34/17/1135013417.db2.gz TUCYUEXHWYWLQA-OAHLLOKOSA-N 1 2 326.375 3.557 20 10 EHCDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1O ZINC000775527736 1135013422 /nfs/dbraw/zinc/01/34/22/1135013422.db2.gz TUCYUEXHWYWLQA-OAHLLOKOSA-N 1 2 326.375 3.557 20 10 EHCDLO CC[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccccc1O ZINC000775545722 1135054492 /nfs/dbraw/zinc/05/44/92/1135054492.db2.gz FGIGJGVFEPYOOF-RKVPGOIHSA-N 1 2 341.455 3.964 20 10 EHCDLO CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161138 1135404041 /nfs/dbraw/zinc/40/40/41/1135404041.db2.gz NIKYWCGLJZATOQ-SMDDNHRTSA-N 1 2 340.254 3.951 20 10 EHCDLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000806181594 1135406752 /nfs/dbraw/zinc/40/67/52/1135406752.db2.gz YNTZINDKUZEJOB-LRDDRELGSA-N 1 2 328.378 3.501 20 10 EHCDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775655111 1135420509 /nfs/dbraw/zinc/42/05/09/1135420509.db2.gz VIKMPAQPBOZRDT-UHFFFAOYSA-N 1 2 337.778 3.603 20 10 EHCDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775655111 1135420514 /nfs/dbraw/zinc/42/05/14/1135420514.db2.gz VIKMPAQPBOZRDT-UHFFFAOYSA-N 1 2 337.778 3.603 20 10 EHCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1OCCc2ccccc21 ZINC000775661416 1135433699 /nfs/dbraw/zinc/43/36/99/1135433699.db2.gz NIYWJOHTHLTHKN-QGZVFWFLSA-N 1 2 335.806 3.931 20 10 EHCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1OCCc2ccccc21 ZINC000775661416 1135433702 /nfs/dbraw/zinc/43/37/02/1135433702.db2.gz NIYWJOHTHLTHKN-QGZVFWFLSA-N 1 2 335.806 3.931 20 10 EHCDLO CCCC[N@H+](Cc1noc(C)c1C(=O)OCC)Cc1ccccc1O ZINC000810005173 1135913081 /nfs/dbraw/zinc/91/30/81/1135913081.db2.gz YEQBHSGIYRINJV-UHFFFAOYSA-N 1 2 346.427 3.668 20 10 EHCDLO CCCC[N@@H+](Cc1noc(C)c1C(=O)OCC)Cc1ccccc1O ZINC000810005173 1135913083 /nfs/dbraw/zinc/91/30/83/1135913083.db2.gz YEQBHSGIYRINJV-UHFFFAOYSA-N 1 2 346.427 3.668 20 10 EHCDLO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000810245301 1135947635 /nfs/dbraw/zinc/94/76/35/1135947635.db2.gz YPRZMGGJXHWAGN-QWRGUYRKSA-N 1 2 347.272 3.673 20 10 EHCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)no1 ZINC000810255213 1135949194 /nfs/dbraw/zinc/94/91/94/1135949194.db2.gz MWTURVGREFKRTN-MNOVXSKESA-N 1 2 339.823 3.685 20 10 EHCDLO Oc1c(F)cc(F)cc1CNc1ccccc1OCCn1cc[nH+]c1 ZINC001201297537 1136004120 /nfs/dbraw/zinc/00/41/20/1136004120.db2.gz HFJVTYHUPOCXKD-UHFFFAOYSA-N 1 2 345.349 3.558 20 10 EHCDLO COC(=O)c1cccc(C(=O)OC)c1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201498176 1136028811 /nfs/dbraw/zinc/02/88/11/1136028811.db2.gz USUSSBCUAGZQAM-UHFFFAOYSA-N 1 2 342.395 3.824 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001202475308 1136183233 /nfs/dbraw/zinc/18/32/33/1136183233.db2.gz STFKPBLHRYURSG-UHFFFAOYSA-N 1 2 334.700 3.888 20 10 EHCDLO Cc1[nH+]cn(-c2ccc(NCc3cc4c(cc3O)OCO4)cc2)c1C ZINC000812784632 1136246481 /nfs/dbraw/zinc/24/64/81/1136246481.db2.gz ZNUYSYWUCNKJNJ-UHFFFAOYSA-N 1 2 337.379 3.536 20 10 EHCDLO CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1)c1cccc(Cl)c1O ZINC000850500661 1136272556 /nfs/dbraw/zinc/27/25/56/1136272556.db2.gz GBSSQMCRYIVQQC-UWWPHRKUSA-N 1 2 341.879 3.652 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Br)cc(F)c1O ZINC000850525724 1136278110 /nfs/dbraw/zinc/27/81/10/1136278110.db2.gz QBXLOIMUOSKLGN-KOLCDFICSA-N 1 2 344.224 3.656 20 10 EHCDLO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)c(O)c1 ZINC000815596206 1136616513 /nfs/dbraw/zinc/61/65/13/1136616513.db2.gz NSJHHOUGRCULHB-CYBMUJFWSA-N 1 2 340.402 3.784 20 10 EHCDLO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)c(O)c1 ZINC000815596206 1136616515 /nfs/dbraw/zinc/61/65/15/1136616515.db2.gz NSJHHOUGRCULHB-CYBMUJFWSA-N 1 2 340.402 3.784 20 10 EHCDLO CC[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1cc(Cl)ccc1O ZINC000815657550 1136622832 /nfs/dbraw/zinc/62/28/32/1136622832.db2.gz BJVIYBICGUUFTF-MRXNPFEDSA-N 1 2 342.830 3.867 20 10 EHCDLO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CC2 ZINC000816590798 1136734569 /nfs/dbraw/zinc/73/45/69/1136734569.db2.gz MCXURWYYSZLNOW-CYBMUJFWSA-N 1 2 337.826 3.609 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1cc(F)cc(F)c1O ZINC000776869142 1136749453 /nfs/dbraw/zinc/74/94/53/1136749453.db2.gz WFMDXZTZDJWQAS-SNVBAGLBSA-N 1 2 340.370 3.824 20 10 EHCDLO C[C@@H]([NH2+]CCCC1(O)CCC1)c1cc(Br)cc(F)c1O ZINC000817586509 1136825412 /nfs/dbraw/zinc/82/54/12/1136825412.db2.gz PCMQOOGTUNPFCF-SNVBAGLBSA-N 1 2 346.240 3.640 20 10 EHCDLO CC[C@@H]([NH2+]CCCNCc1cccnc1)c1cc(Cl)ccc1O ZINC000817940405 1136848781 /nfs/dbraw/zinc/84/87/81/1136848781.db2.gz MOQKNKCSVFJSGS-QGZVFWFLSA-N 1 2 333.863 3.661 20 10 EHCDLO CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(Cl)c1O ZINC000817981513 1136855064 /nfs/dbraw/zinc/85/50/64/1136855064.db2.gz SOAQNELBLWKNAF-RYUDHWBXSA-N 1 2 339.213 3.737 20 10 EHCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485572 1137146571 /nfs/dbraw/zinc/14/65/71/1137146571.db2.gz PSDKDLCYMLIVKU-JSGCOSHPSA-N 1 2 339.863 3.845 20 10 EHCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485572 1137146572 /nfs/dbraw/zinc/14/65/72/1137146572.db2.gz PSDKDLCYMLIVKU-JSGCOSHPSA-N 1 2 339.863 3.845 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000824952908 1137159321 /nfs/dbraw/zinc/15/93/21/1137159321.db2.gz FODUIOAXMQIIIL-HOCLYGCPSA-N 1 2 336.794 3.590 20 10 EHCDLO COCc1cc[nH+]c(N[C@@H](C)c2cc(Br)ccc2O)c1 ZINC000846210853 1137339978 /nfs/dbraw/zinc/33/99/78/1137339978.db2.gz AWVOLZZSSGTPTF-JTQLQIEISA-N 1 2 337.217 3.869 20 10 EHCDLO COC(=O)c1cc2[nH+]c[nH]c2c(NCc2cc3ccccc3cc2O)c1 ZINC001171405299 1137472748 /nfs/dbraw/zinc/47/27/48/1137472748.db2.gz UGMWMKAFBDTVHK-UHFFFAOYSA-N 1 2 347.374 3.820 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000877478705 1137677756 /nfs/dbraw/zinc/67/77/56/1137677756.db2.gz KBHQPHPZSZZJQP-AWEZNQCLSA-N 1 2 347.256 3.587 20 10 EHCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c1 ZINC000093814751 1138241531 /nfs/dbraw/zinc/24/15/31/1138241531.db2.gz IEWMOVKGEYKRRG-UHFFFAOYSA-N 1 2 346.374 3.898 20 10 EHCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c1 ZINC000093814751 1138241533 /nfs/dbraw/zinc/24/15/33/1138241533.db2.gz IEWMOVKGEYKRRG-UHFFFAOYSA-N 1 2 346.374 3.898 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1cc(C)ccc1O)[C@H](C)c1ccccc1 ZINC000777439297 1140277768 /nfs/dbraw/zinc/27/77/68/1140277768.db2.gz CVSZFSASHIRABY-MRXNPFEDSA-N 1 2 327.424 3.827 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1cc(C)ccc1O)[C@H](C)c1ccccc1 ZINC000777439297 1140277772 /nfs/dbraw/zinc/27/77/72/1140277772.db2.gz CVSZFSASHIRABY-MRXNPFEDSA-N 1 2 327.424 3.827 20 10 EHCDLO CCCN(Cc1ccccc1O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000266425037 1140684826 /nfs/dbraw/zinc/68/48/26/1140684826.db2.gz LWBUTXFBSDGXPI-UHFFFAOYSA-N 1 2 338.411 3.792 20 10 EHCDLO COC1CCC([NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000840793383 1026310829 /nfs/dbraw/zinc/31/08/29/1026310829.db2.gz ZEOHVFYYCXVIIS-KPPDAEKUSA-N 1 2 346.240 3.902 20 10 EHCDLO Cc1cc(O)c(CNc2ccc([NH+]3CCC(O)CC3)cc2)c(Cl)c1 ZINC000840879164 1027032218 /nfs/dbraw/zinc/03/22/18/1027032218.db2.gz LBJDUBQJUMSBHC-UHFFFAOYSA-N 1 2 346.858 3.927 20 10 EHCDLO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273546689 1027486199 /nfs/dbraw/zinc/48/61/99/1027486199.db2.gz ZMRYZARIJJBSJJ-ZDUSSCGKSA-N 1 2 329.400 3.844 20 10 EHCDLO C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)cc(F)c1O ZINC000926904320 1031028216 /nfs/dbraw/zinc/02/82/16/1031028216.db2.gz GIFVJJQCDKBSEB-IYYTYJHQSA-N 1 2 339.304 3.821 20 10 EHCDLO Cc1cc(Cl)cc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c1O ZINC000527617613 1031039308 /nfs/dbraw/zinc/03/93/08/1031039308.db2.gz BGWHCQAFSRCCJC-UHFFFAOYSA-N 1 2 331.847 3.826 20 10 EHCDLO Cc1cc(Cl)cc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c1O ZINC000527617613 1031039324 /nfs/dbraw/zinc/03/93/24/1031039324.db2.gz BGWHCQAFSRCCJC-UHFFFAOYSA-N 1 2 331.847 3.826 20 10 EHCDLO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1cc(Br)cc(F)c1O ZINC000528004303 1031571235 /nfs/dbraw/zinc/57/12/35/1031571235.db2.gz DXJRWLCOFUAGKE-AXNWQNLUSA-N 1 2 346.240 3.756 20 10 EHCDLO Oc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000179564391 1034502047 /nfs/dbraw/zinc/50/20/47/1034502047.db2.gz NHBOFIAKZVKSDH-KRWDZBQOSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1ccccc1C[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000179564391 1034502054 /nfs/dbraw/zinc/50/20/54/1034502054.db2.gz NHBOFIAKZVKSDH-KRWDZBQOSA-N 1 2 348.240 3.728 20 10 EHCDLO CCS[C@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)n1 ZINC000178142467 1035857427 /nfs/dbraw/zinc/85/74/27/1035857427.db2.gz ATYOVJKGRYDXJB-GFCCVEGCSA-N 1 2 347.484 3.710 20 10 EHCDLO CCS[C@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)n1 ZINC000178142467 1035857453 /nfs/dbraw/zinc/85/74/53/1035857453.db2.gz ATYOVJKGRYDXJB-GFCCVEGCSA-N 1 2 347.484 3.710 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075557226 1036545178 /nfs/dbraw/zinc/54/51/78/1036545178.db2.gz UJGZQFRIRQGVRS-SFHVURJKSA-N 1 2 348.450 3.837 20 10 EHCDLO C[C@H]([NH2+]Cc1ccccc1O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000378036819 1037744818 /nfs/dbraw/zinc/74/48/18/1037744818.db2.gz MMWYWYLCNINTTO-NSHDSACASA-N 1 2 329.787 3.946 20 10 EHCDLO COC(=O)C1(CCCC[NH2+]Cc2cccc(Cl)c2O)CCC1 ZINC000898412269 1038973619 /nfs/dbraw/zinc/97/36/19/1038973619.db2.gz MXYINULSMWKNCO-UHFFFAOYSA-N 1 2 325.836 3.649 20 10 EHCDLO COc1cccc([C@H]2C[N@H+](Cc3c(O)cccc3Cl)CCO2)c1 ZINC000131664409 1128525314 /nfs/dbraw/zinc/52/53/14/1128525314.db2.gz CCDJJFCIFMWXON-GOSISDBHSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cccc([C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCO2)c1 ZINC000131664409 1128525318 /nfs/dbraw/zinc/52/53/18/1128525318.db2.gz CCDJJFCIFMWXON-GOSISDBHSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1ccc(N2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)cc1 ZINC000918021726 1122731379 /nfs/dbraw/zinc/73/13/79/1122731379.db2.gz KFUDVJDNJOPYAN-CQSZACIVSA-N 1 2 332.394 3.857 20 10 EHCDLO C[NH+](C)c1ccc(NCc2cc(Br)cc(F)c2O)cc1 ZINC000715766049 1129337796 /nfs/dbraw/zinc/33/77/96/1129337796.db2.gz MPRQGWFIZNTWPQ-UHFFFAOYSA-N 1 2 339.208 3.972 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1 ZINC001174770239 1132460244 /nfs/dbraw/zinc/46/02/44/1132460244.db2.gz CJYNWLIUYHKNDA-BBRMVZONSA-N 1 2 330.394 3.684 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1 ZINC001174770239 1132460248 /nfs/dbraw/zinc/46/02/48/1132460248.db2.gz CJYNWLIUYHKNDA-BBRMVZONSA-N 1 2 330.394 3.684 20 10 EHCDLO CCOc1ccc(CNc2[nH+]c3cccc(Cl)c3n2C)c(O)c1 ZINC000767292266 1132978619 /nfs/dbraw/zinc/97/86/19/1132978619.db2.gz VOTTVYSKRPAIQO-UHFFFAOYSA-N 1 2 331.803 3.943 20 10 EHCDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000769468518 1133297715 /nfs/dbraw/zinc/29/77/15/1133297715.db2.gz JXMKFYIZRYFBTL-UHFFFAOYSA-N 1 2 346.478 3.995 20 10 EHCDLO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000769468518 1133297718 /nfs/dbraw/zinc/29/77/18/1133297718.db2.gz JXMKFYIZRYFBTL-UHFFFAOYSA-N 1 2 346.478 3.995 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1ncc(Cl)s1)C[C@@H]1CCCO1 ZINC000770609189 1133452631 /nfs/dbraw/zinc/45/26/31/1133452631.db2.gz ALTRFTQFFYYKMT-ZDUSSCGKSA-N 1 2 338.860 3.683 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1ncc(Cl)s1)C[C@@H]1CCCO1 ZINC000770609189 1133452633 /nfs/dbraw/zinc/45/26/33/1133452633.db2.gz ALTRFTQFFYYKMT-ZDUSSCGKSA-N 1 2 338.860 3.683 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001183663214 1133843731 /nfs/dbraw/zinc/84/37/31/1133843731.db2.gz VRJMYPQHHJNEFZ-HNNXBMFYSA-N 1 2 339.769 3.977 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001183663214 1133843736 /nfs/dbraw/zinc/84/37/36/1133843736.db2.gz VRJMYPQHHJNEFZ-HNNXBMFYSA-N 1 2 339.769 3.977 20 10 EHCDLO COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)[NH2+]Cc1ccccc1O ZINC000789579360 1134298026 /nfs/dbraw/zinc/29/80/26/1134298026.db2.gz GWEFWZDCPROZSM-LPHOPBHVSA-N 1 2 339.435 3.534 20 10 EHCDLO CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC000772798953 1134702032 /nfs/dbraw/zinc/70/20/32/1134702032.db2.gz VEOBXUHNAQTXND-SFHVURJKSA-N 1 2 331.387 3.658 20 10 EHCDLO CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC000772798953 1134702035 /nfs/dbraw/zinc/70/20/35/1134702035.db2.gz VEOBXUHNAQTXND-SFHVURJKSA-N 1 2 331.387 3.658 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCN(C)c3ccccc3C2)c1O ZINC001190801614 1134753327 /nfs/dbraw/zinc/75/33/27/1134753327.db2.gz KFGQEJXIZGYJIU-UHFFFAOYSA-N 1 2 344.842 3.700 20 10 EHCDLO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000219162624 1134849470 /nfs/dbraw/zinc/84/94/70/1134849470.db2.gz SUJKVPKIPCHQCN-CHWSQXEVSA-N 1 2 330.291 3.919 20 10 EHCDLO Cc1cc(C(=O)C[N@H+]2CCOCC[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000775568565 1135095966 /nfs/dbraw/zinc/09/59/66/1135095966.db2.gz DKPVFAMZIVGEKH-CQSZACIVSA-N 1 2 344.430 3.527 20 10 EHCDLO Cc1cc(C(=O)C[N@@H+]2CCOCC[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000775568565 1135095972 /nfs/dbraw/zinc/09/59/72/1135095972.db2.gz DKPVFAMZIVGEKH-CQSZACIVSA-N 1 2 344.430 3.527 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cccc(Cl)c1O ZINC000806130265 1135397507 /nfs/dbraw/zinc/39/75/07/1135397507.db2.gz UJMFMJOZEFKBPF-DYVFJYSZSA-N 1 2 335.831 3.526 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc(Cl)c1O ZINC000806141388 1135399978 /nfs/dbraw/zinc/39/99/78/1135399978.db2.gz IXEKWNHUTILDGN-ZBFHGGJFSA-N 1 2 328.909 3.524 20 10 EHCDLO CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(Cl)c1O ZINC000806148034 1135400786 /nfs/dbraw/zinc/40/07/86/1135400786.db2.gz BXDNQNIZYSODKB-XJKSGUPXSA-N 1 2 339.863 3.815 20 10 EHCDLO CC[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc(Cl)c1O ZINC000806162970 1135405087 /nfs/dbraw/zinc/40/50/87/1135405087.db2.gz KGSNGWPIOHMCBZ-MRXNPFEDSA-N 1 2 342.830 3.867 20 10 EHCDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CC)c2cccc(Cl)c2O)C1 ZINC000806163259 1135405824 /nfs/dbraw/zinc/40/58/24/1135405824.db2.gz CLSJFYLMJWDMRN-TYNCELHUSA-N 1 2 325.836 3.818 20 10 EHCDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000775686309 1135511627 /nfs/dbraw/zinc/51/16/27/1135511627.db2.gz HPCMMVUDUGHJTG-KRWDZBQOSA-N 1 2 347.842 3.652 20 10 EHCDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000775686309 1135511631 /nfs/dbraw/zinc/51/16/31/1135511631.db2.gz HPCMMVUDUGHJTG-KRWDZBQOSA-N 1 2 347.842 3.652 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000775738096 1135600286 /nfs/dbraw/zinc/60/02/86/1135600286.db2.gz SCIJXYYVPFKQEH-DZGCQCFKSA-N 1 2 339.794 3.866 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000775738096 1135600288 /nfs/dbraw/zinc/60/02/88/1135600288.db2.gz SCIJXYYVPFKQEH-DZGCQCFKSA-N 1 2 339.794 3.866 20 10 EHCDLO Cc1cc(Cl)cc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)c1O ZINC000808708046 1135717581 /nfs/dbraw/zinc/71/75/81/1135717581.db2.gz BNCWBAMIGFFWHZ-ZDUSSCGKSA-N 1 2 347.846 3.759 20 10 EHCDLO COCCC[N@H+](Cc1ccncc1)Cc1c(O)ccc(Cl)c1F ZINC000809740817 1135883839 /nfs/dbraw/zinc/88/38/39/1135883839.db2.gz JMTHNRFQTVGZKG-UHFFFAOYSA-N 1 2 338.810 3.618 20 10 EHCDLO COCCC[N@@H+](Cc1ccncc1)Cc1c(O)ccc(Cl)c1F ZINC000809740817 1135883842 /nfs/dbraw/zinc/88/38/42/1135883842.db2.gz JMTHNRFQTVGZKG-UHFFFAOYSA-N 1 2 338.810 3.618 20 10 EHCDLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(Cl)cc(F)c2O)o1 ZINC000776178015 1136016133 /nfs/dbraw/zinc/01/61/33/1136016133.db2.gz XVJQOPNAPQUMHO-CQSZACIVSA-N 1 2 327.783 3.817 20 10 EHCDLO Clc1cnc(SCc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000850001136 1136198257 /nfs/dbraw/zinc/19/82/57/1136198257.db2.gz CPGMDLPZTQUSGR-UHFFFAOYSA-N 1 2 340.901 3.921 20 10 EHCDLO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cscn1 ZINC000850359894 1136241002 /nfs/dbraw/zinc/24/10/02/1136241002.db2.gz VOCYIJIMHYGLFS-ZDUSSCGKSA-N 1 2 346.456 3.892 20 10 EHCDLO COC1CC(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000850482043 1136267611 /nfs/dbraw/zinc/26/76/11/1136267611.db2.gz MKRFGQMYVMEBNI-KPPDAEKUSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000850577712 1136291357 /nfs/dbraw/zinc/29/13/57/1136291357.db2.gz GWWJWXLGGBADSA-CZUORRHYSA-N 1 2 332.394 3.596 20 10 EHCDLO c1csc(SCCC[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)n1 ZINC000813857576 1136367138 /nfs/dbraw/zinc/36/71/38/1136367138.db2.gz JMPGICRVFAQXHC-ZDUSSCGKSA-N 1 2 337.518 3.655 20 10 EHCDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)ccc1N(C)C ZINC000815033416 1136543386 /nfs/dbraw/zinc/54/33/86/1136543386.db2.gz FZFHFIKXPPCDNV-HXUWFJFHSA-N 1 2 346.421 3.913 20 10 EHCDLO Cc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)ccc1N(C)C ZINC000815033416 1136543390 /nfs/dbraw/zinc/54/33/90/1136543390.db2.gz FZFHFIKXPPCDNV-HXUWFJFHSA-N 1 2 346.421 3.913 20 10 EHCDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000815627871 1136621277 /nfs/dbraw/zinc/62/12/77/1136621277.db2.gz LZCGVSWPSCXJST-QMMMGPOBSA-N 1 2 331.363 3.676 20 10 EHCDLO COc1ccc(OC)c(CC[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816541021 1136731859 /nfs/dbraw/zinc/73/18/59/1136731859.db2.gz AIIBNEDJSTUFHU-UHFFFAOYSA-N 1 2 339.794 3.534 20 10 EHCDLO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559831 1136736710 /nfs/dbraw/zinc/73/67/10/1136736710.db2.gz WIWLDFKFQWLQRA-HWPZZCPQSA-N 1 2 341.785 3.926 20 10 EHCDLO CC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1O ZINC000817981392 1136855123 /nfs/dbraw/zinc/85/51/23/1136855123.db2.gz RZEVSFYLEWTJKC-GHMZBOCLSA-N 1 2 339.213 3.737 20 10 EHCDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nc1 ZINC000858012430 1136930485 /nfs/dbraw/zinc/93/04/85/1136930485.db2.gz HCNREMGWEFMVNN-LBPRGKRZSA-N 1 2 336.794 3.541 20 10 EHCDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nc1 ZINC000858012430 1136930488 /nfs/dbraw/zinc/93/04/88/1136930488.db2.gz HCNREMGWEFMVNN-LBPRGKRZSA-N 1 2 336.794 3.541 20 10 EHCDLO CCOc1ccc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)c(O)c1 ZINC000824445658 1137138055 /nfs/dbraw/zinc/13/80/55/1137138055.db2.gz JNXOPHGPFGXOJC-UHFFFAOYSA-N 1 2 338.411 3.507 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824952906 1137159248 /nfs/dbraw/zinc/15/92/48/1137159248.db2.gz FODUIOAXMQIIIL-GDBMZVCRSA-N 1 2 336.794 3.590 20 10 EHCDLO C[N@H+](Cc1nc(C(F)(F)F)c[nH]1)Cc1ccc(N2CCCC2)cc1 ZINC001137015904 1137171998 /nfs/dbraw/zinc/17/19/98/1137171998.db2.gz BIUBMRNLGJLTJO-UHFFFAOYSA-N 1 2 338.377 3.661 20 10 EHCDLO C[N@@H+](Cc1nc(C(F)(F)F)c[nH]1)Cc1ccc(N2CCCC2)cc1 ZINC001137015904 1137171999 /nfs/dbraw/zinc/17/19/99/1137171999.db2.gz BIUBMRNLGJLTJO-UHFFFAOYSA-N 1 2 338.377 3.661 20 10 EHCDLO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000794834985 1137276278 /nfs/dbraw/zinc/27/62/78/1137276278.db2.gz YSDYPGSLHBEGQX-GHMZBOCLSA-N 1 2 347.272 3.675 20 10 EHCDLO C[C@@]1(CC[NH2+]Cc2cccc(Br)c2O)C[C@]1(F)Cl ZINC000846039063 1137329008 /nfs/dbraw/zinc/32/90/08/1137329008.db2.gz SRXADHXDSYCTGF-CHWSQXEVSA-N 1 2 336.632 3.949 20 10 EHCDLO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(Br)cc(F)c1O ZINC000866443463 1137355257 /nfs/dbraw/zinc/35/52/57/1137355257.db2.gz NDGVJEBTWFSABU-LWIGBJQBSA-N 1 2 332.213 3.510 20 10 EHCDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000773045828 1137461473 /nfs/dbraw/zinc/46/14/73/1137461473.db2.gz XWTIZMMIORKMFO-ZDUSSCGKSA-N 1 2 339.418 3.528 20 10 EHCDLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000773045828 1137461475 /nfs/dbraw/zinc/46/14/75/1137461475.db2.gz XWTIZMMIORKMFO-ZDUSSCGKSA-N 1 2 339.418 3.528 20 10 EHCDLO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1c(F)cccc1F ZINC000877551814 1137680935 /nfs/dbraw/zinc/68/09/35/1137680935.db2.gz DARFQPWQTONHBD-UHFFFAOYSA-N 1 2 346.421 3.558 20 10 EHCDLO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1c(F)cccc1F ZINC000877551814 1137680936 /nfs/dbraw/zinc/68/09/36/1137680936.db2.gz DARFQPWQTONHBD-UHFFFAOYSA-N 1 2 346.421 3.558 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877763118 1137688860 /nfs/dbraw/zinc/68/88/60/1137688860.db2.gz YPZRVOXOTHCFND-HNNXBMFYSA-N 1 2 347.821 3.564 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877763118 1137688861 /nfs/dbraw/zinc/68/88/61/1137688861.db2.gz YPZRVOXOTHCFND-HNNXBMFYSA-N 1 2 347.821 3.564 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1scnc1Cl)C[C@H]1CCCO1 ZINC000878240801 1137708324 /nfs/dbraw/zinc/70/83/24/1137708324.db2.gz LVIQDAUBTVAGPC-CYBMUJFWSA-N 1 2 338.860 3.683 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1scnc1Cl)C[C@H]1CCCO1 ZINC000878240801 1137708325 /nfs/dbraw/zinc/70/83/25/1137708325.db2.gz LVIQDAUBTVAGPC-CYBMUJFWSA-N 1 2 338.860 3.683 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1cncc(F)c1 ZINC001202760163 1138319693 /nfs/dbraw/zinc/31/96/93/1138319693.db2.gz NQHFIXBITDTYSB-QMMMGPOBSA-N 1 2 343.171 3.679 20 10 EHCDLO CCCOc1ccc(C[NH2+]C2(c3noc(C)n3)CCCCC2)c(O)c1 ZINC000263694002 1138344400 /nfs/dbraw/zinc/34/44/00/1138344400.db2.gz POGFCRTVCXNVOI-UHFFFAOYSA-N 1 2 345.443 3.822 20 10 EHCDLO C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000377795597 1018380933 /nfs/dbraw/zinc/38/09/33/1018380933.db2.gz FYGQERHGIBQVMP-BDAKNGLRSA-N 1 2 326.227 3.630 20 10 EHCDLO CN(Cc1cccs1)c1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000894587231 1022594236 /nfs/dbraw/zinc/59/42/36/1022594236.db2.gz VSVLSNBUEKNZPM-UHFFFAOYSA-N 1 2 326.469 3.740 20 10 EHCDLO CN(Cc1cccs1)c1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000894587231 1022594246 /nfs/dbraw/zinc/59/42/46/1022594246.db2.gz VSVLSNBUEKNZPM-UHFFFAOYSA-N 1 2 326.469 3.740 20 10 EHCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000895313441 1024280790 /nfs/dbraw/zinc/28/07/90/1024280790.db2.gz BYBYUWBAFKOESP-QGZVFWFLSA-N 1 2 335.350 3.617 20 10 EHCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000895313441 1024280804 /nfs/dbraw/zinc/28/08/04/1024280804.db2.gz BYBYUWBAFKOESP-QGZVFWFLSA-N 1 2 335.350 3.617 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000708139787 1027874929 /nfs/dbraw/zinc/87/49/29/1027874929.db2.gz IPTVCUWTVKPZCZ-CQSZACIVSA-N 1 2 346.652 3.563 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000708139787 1027874950 /nfs/dbraw/zinc/87/49/50/1027874950.db2.gz IPTVCUWTVKPZCZ-CQSZACIVSA-N 1 2 346.652 3.563 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)c1O ZINC000761203153 1034433646 /nfs/dbraw/zinc/43/36/46/1034433646.db2.gz KCWGYMJWVBDBBQ-UHFFFAOYSA-N 1 2 339.769 3.891 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+]2CCc3c(F)ccc(F)c3C2)c1O ZINC000761203153 1034433661 /nfs/dbraw/zinc/43/36/61/1034433661.db2.gz KCWGYMJWVBDBBQ-UHFFFAOYSA-N 1 2 339.769 3.891 20 10 EHCDLO Oc1c(Br)cccc1CNc1[nH]c2ccc(F)cc2[nH+]1 ZINC000784325524 1036768642 /nfs/dbraw/zinc/76/86/42/1036768642.db2.gz RONYYRJMTOFUCQ-UHFFFAOYSA-N 1 2 336.164 3.782 20 10 EHCDLO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756786325 1042437942 /nfs/dbraw/zinc/43/79/42/1042437942.db2.gz JQADLBRVNZSXFQ-IQMDTDKHSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1cc(F)cc(F)c1O ZINC000765810899 1128427897 /nfs/dbraw/zinc/42/78/97/1128427897.db2.gz SVUGKCCMZKREDE-DYZYQPBXSA-N 1 2 341.785 3.882 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000918382751 1122797727 /nfs/dbraw/zinc/79/77/27/1122797727.db2.gz MZAHLULQYOFNNN-UHFFFAOYSA-N 1 2 336.439 3.501 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1C(C)C ZINC000744442068 1132099018 /nfs/dbraw/zinc/09/90/18/1132099018.db2.gz DPDWKNJYWGOYOX-BLLLJJGKSA-N 1 2 331.378 3.976 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1C(C)C ZINC000744442068 1132099027 /nfs/dbraw/zinc/09/90/27/1132099027.db2.gz DPDWKNJYWGOYOX-BLLLJJGKSA-N 1 2 331.378 3.976 20 10 EHCDLO C[N@H+](Cc1cccc(Br)c1O)C1Cc2ccccc2C1 ZINC000769033297 1133216430 /nfs/dbraw/zinc/21/64/30/1133216430.db2.gz KDJPNOISYKHBOD-UHFFFAOYSA-N 1 2 332.241 3.754 20 10 EHCDLO C[N@@H+](Cc1cccc(Br)c1O)C1Cc2ccccc2C1 ZINC000769033297 1133216433 /nfs/dbraw/zinc/21/64/33/1133216433.db2.gz KDJPNOISYKHBOD-UHFFFAOYSA-N 1 2 332.241 3.754 20 10 EHCDLO CN(C)c1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1F ZINC000769326925 1133262279 /nfs/dbraw/zinc/26/22/79/1133262279.db2.gz IVWVUDWEVCGLNH-UHFFFAOYSA-N 1 2 338.430 3.817 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1F ZINC000769326925 1133262283 /nfs/dbraw/zinc/26/22/83/1133262283.db2.gz IVWVUDWEVCGLNH-UHFFFAOYSA-N 1 2 338.430 3.817 20 10 EHCDLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(F)c2O)C12CCC2 ZINC001180133223 1133328878 /nfs/dbraw/zinc/32/88/78/1133328878.db2.gz RZZQZICNDHBHOU-LSDHHAIUSA-N 1 2 327.827 3.964 20 10 EHCDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2O)C12CCC2 ZINC001180133223 1133328880 /nfs/dbraw/zinc/32/88/80/1133328880.db2.gz RZZQZICNDHBHOU-LSDHHAIUSA-N 1 2 327.827 3.964 20 10 EHCDLO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cc(Cl)c(Cl)cc1O ZINC000774124587 1133617843 /nfs/dbraw/zinc/61/78/43/1133617843.db2.gz VNHCZIYGYVUHQA-LKTVYLICSA-N 1 2 329.271 3.976 20 10 EHCDLO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001183661160 1133843300 /nfs/dbraw/zinc/84/33/00/1133843300.db2.gz DZZSUWISENXXRB-IBGZPJMESA-N 1 2 346.421 3.939 20 10 EHCDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001183661160 1133843304 /nfs/dbraw/zinc/84/33/04/1133843304.db2.gz DZZSUWISENXXRB-IBGZPJMESA-N 1 2 346.421 3.939 20 10 EHCDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)[nH]1 ZINC000788684817 1134157349 /nfs/dbraw/zinc/15/73/49/1134157349.db2.gz FNSDZCGLGZEOMW-DTWKUNHWSA-N 1 2 328.338 3.503 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000792165580 1134661405 /nfs/dbraw/zinc/66/14/05/1134661405.db2.gz IZILQZHNMWRPJW-IBGZPJMESA-N 1 2 347.817 3.859 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000792165580 1134661410 /nfs/dbraw/zinc/66/14/10/1134661410.db2.gz IZILQZHNMWRPJW-IBGZPJMESA-N 1 2 347.817 3.859 20 10 EHCDLO CC[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccccc1O ZINC000775545718 1135054457 /nfs/dbraw/zinc/05/44/57/1135054457.db2.gz FGIGJGVFEPYOOF-DAYGRLMNSA-N 1 2 341.455 3.964 20 10 EHCDLO CC[C@@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1cccc(Cl)c1O ZINC000806131151 1135388537 /nfs/dbraw/zinc/38/85/37/1135388537.db2.gz GYRJSBLSIDKLFI-QGZVFWFLSA-N 1 2 346.858 3.825 20 10 EHCDLO CC[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(Cl)c1O ZINC000806129458 1135395987 /nfs/dbraw/zinc/39/59/87/1135395987.db2.gz GBVACGSKOYKOCZ-ZQIUZPCESA-N 1 2 340.895 3.586 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)Cc1cc(C)ccc1C ZINC001195357856 1135415847 /nfs/dbraw/zinc/41/58/47/1135415847.db2.gz JERPYZSTQKMHCN-UHFFFAOYSA-N 1 2 327.424 3.574 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)Cc1cc(C)ccc1C ZINC001195357856 1135415850 /nfs/dbraw/zinc/41/58/50/1135415850.db2.gz JERPYZSTQKMHCN-UHFFFAOYSA-N 1 2 327.424 3.574 20 10 EHCDLO C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccc(N(C)C)cc1 ZINC000775832052 1135789095 /nfs/dbraw/zinc/78/90/95/1135789095.db2.gz WPKGAYJOIUSQHC-HNNXBMFYSA-N 1 2 336.439 3.577 20 10 EHCDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccc(Cl)cc1 ZINC000809779501 1135889899 /nfs/dbraw/zinc/88/98/99/1135889899.db2.gz PKFHDEQETLTMBD-ZDUSSCGKSA-N 1 2 326.223 3.565 20 10 EHCDLO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(F)cc1 ZINC001199420978 1135903341 /nfs/dbraw/zinc/90/33/41/1135903341.db2.gz RSBRNMQGKRYZME-INIZCTEOSA-N 1 2 340.801 3.716 20 10 EHCDLO CC[N@H+](Cc1cccc(Br)c1O)[C@H]1CCOC(C)(C)C1 ZINC000811511374 1136102461 /nfs/dbraw/zinc/10/24/61/1136102461.db2.gz HNBJKVCKYTVCPY-ZDUSSCGKSA-N 1 2 342.277 3.934 20 10 EHCDLO CC[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCOC(C)(C)C1 ZINC000811511374 1136102463 /nfs/dbraw/zinc/10/24/63/1136102463.db2.gz HNBJKVCKYTVCPY-ZDUSSCGKSA-N 1 2 342.277 3.934 20 10 EHCDLO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850579316 1136291914 /nfs/dbraw/zinc/29/19/14/1136291914.db2.gz UIAUZMDKANFHJP-MNOVXSKESA-N 1 2 344.402 3.576 20 10 EHCDLO CCn1ncc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000851878976 1136415243 /nfs/dbraw/zinc/41/52/43/1136415243.db2.gz DSAOJWPSLZYQFI-MRXNPFEDSA-N 1 2 336.439 3.767 20 10 EHCDLO CCn1ncc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000851878976 1136415245 /nfs/dbraw/zinc/41/52/45/1136415245.db2.gz DSAOJWPSLZYQFI-MRXNPFEDSA-N 1 2 336.439 3.767 20 10 EHCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000853566058 1136544746 /nfs/dbraw/zinc/54/47/46/1136544746.db2.gz DSRMOVGBZGELMO-LJQANCHMSA-N 1 2 338.382 3.653 20 10 EHCDLO Oc1ccc2ccncc2c1C[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000853566058 1136544748 /nfs/dbraw/zinc/54/47/48/1136544748.db2.gz DSRMOVGBZGELMO-LJQANCHMSA-N 1 2 338.382 3.653 20 10 EHCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000776725454 1136602503 /nfs/dbraw/zinc/60/25/03/1136602503.db2.gz BFHFOMXLJUOWFV-XNTDXEJSSA-N 1 2 348.493 3.933 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000748045928 1136677208 /nfs/dbraw/zinc/67/72/08/1136677208.db2.gz ANRRQEBTYXROKJ-UHFFFAOYSA-N 1 2 347.798 3.609 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000748045928 1136677210 /nfs/dbraw/zinc/67/72/10/1136677210.db2.gz ANRRQEBTYXROKJ-UHFFFAOYSA-N 1 2 347.798 3.609 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCn1cnc2ccccc21 ZINC000816530521 1136730826 /nfs/dbraw/zinc/73/08/26/1136730826.db2.gz LANDOYBVNDKEIM-UHFFFAOYSA-N 1 2 333.794 3.714 20 10 EHCDLO Oc1c(Br)cccc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667523 1136747135 /nfs/dbraw/zinc/74/71/35/1136747135.db2.gz PESXQPIICDEEDB-AWEZNQCLSA-N 1 2 340.261 3.546 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667523 1136747137 /nfs/dbraw/zinc/74/71/37/1136747137.db2.gz PESXQPIICDEEDB-AWEZNQCLSA-N 1 2 340.261 3.546 20 10 EHCDLO CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000817954563 1136851247 /nfs/dbraw/zinc/85/12/47/1136851247.db2.gz YWWBLVQOAUBDOV-ACJLOTCBSA-N 1 2 343.427 3.774 20 10 EHCDLO CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(Cl)c1O ZINC000817981512 1136854889 /nfs/dbraw/zinc/85/48/89/1136854889.db2.gz SOAQNELBLWKNAF-NWDGAFQWSA-N 1 2 339.213 3.737 20 10 EHCDLO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000858495415 1136973254 /nfs/dbraw/zinc/97/32/54/1136973254.db2.gz DDLUFOBQHPLGDM-NSHDSACASA-N 1 2 334.366 3.504 20 10 EHCDLO CC[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cccc(Cl)c1O ZINC000858539587 1136977343 /nfs/dbraw/zinc/97/73/43/1136977343.db2.gz HBRXVLWMRSVQSU-AWEZNQCLSA-N 1 2 346.814 3.731 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529865 1137062383 /nfs/dbraw/zinc/06/23/83/1137062383.db2.gz KKPACGQMBHCYAJ-QGZVFWFLSA-N 1 2 339.838 3.966 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529865 1137062384 /nfs/dbraw/zinc/06/23/84/1137062384.db2.gz KKPACGQMBHCYAJ-QGZVFWFLSA-N 1 2 339.838 3.966 20 10 EHCDLO Oc1cccc(Br)c1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000862216046 1137132654 /nfs/dbraw/zinc/13/26/54/1137132654.db2.gz QNNAKATYSJMKRT-QGZVFWFLSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1cccc(Br)c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000862216046 1137132656 /nfs/dbraw/zinc/13/26/56/1137132656.db2.gz QNNAKATYSJMKRT-QGZVFWFLSA-N 1 2 348.240 3.728 20 10 EHCDLO Cc1ncsc1C[N@@H+](C)Cc1c(O)cccc1Br ZINC000862238901 1137134154 /nfs/dbraw/zinc/13/41/54/1137134154.db2.gz OBVDHYAEPVNSIA-UHFFFAOYSA-N 1 2 327.247 3.552 20 10 EHCDLO Cc1ncsc1C[N@H+](C)Cc1c(O)cccc1Br ZINC000862238901 1137134155 /nfs/dbraw/zinc/13/41/55/1137134155.db2.gz OBVDHYAEPVNSIA-UHFFFAOYSA-N 1 2 327.247 3.552 20 10 EHCDLO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc(F)cc1O ZINC000714930980 1137474330 /nfs/dbraw/zinc/47/43/30/1137474330.db2.gz AZBRVROKMOAIMF-SSDOTTSWSA-N 1 2 331.210 3.601 20 10 EHCDLO OC1CCN(c2ccc(CNc3c[nH+]cc4c3CCCC4)cc2)CC1 ZINC000877621375 1137683316 /nfs/dbraw/zinc/68/33/16/1137683316.db2.gz VKFRSQYXJQTPCC-UHFFFAOYSA-N 1 2 337.467 3.534 20 10 EHCDLO CC(C)([NH2+]Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000883106625 1137844750 /nfs/dbraw/zinc/84/47/50/1137844750.db2.gz ZKPJQMJZZZWCRK-UHFFFAOYSA-N 1 2 346.240 3.589 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCC1CCOCC1 ZINC000883131654 1137845892 /nfs/dbraw/zinc/84/58/92/1137845892.db2.gz LYIDZDJJSKMVHD-UHFFFAOYSA-N 1 2 346.240 3.590 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](Cc2ccncc2)C2CC2)c1O ZINC000093221435 1138235080 /nfs/dbraw/zinc/23/50/80/1138235080.db2.gz GGDSSCWFAYEQJM-UHFFFAOYSA-N 1 2 330.815 3.808 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](Cc2ccncc2)C2CC2)c1O ZINC000093221435 1138235082 /nfs/dbraw/zinc/23/50/82/1138235082.db2.gz GGDSSCWFAYEQJM-UHFFFAOYSA-N 1 2 330.815 3.808 20 10 EHCDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000185581152 1140156893 /nfs/dbraw/zinc/15/68/93/1140156893.db2.gz QTAISVXTKXYKOA-CYBMUJFWSA-N 1 2 325.836 3.599 20 10 EHCDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000185581152 1140156894 /nfs/dbraw/zinc/15/68/94/1140156894.db2.gz QTAISVXTKXYKOA-CYBMUJFWSA-N 1 2 325.836 3.599 20 10 EHCDLO COc1ccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1C ZINC000266454987 1140689061 /nfs/dbraw/zinc/68/90/61/1140689061.db2.gz KPNQWCKLNQXUIN-HNNXBMFYSA-N 1 2 337.423 3.828 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(Br)c(F)cc1O ZINC000120218238 1014745473 /nfs/dbraw/zinc/74/54/73/1014745473.db2.gz WMSDFMRGPXADPO-VHSXEESVSA-N 1 2 346.240 3.902 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ncn(C)n1 ZINC000275681753 1018136956 /nfs/dbraw/zinc/13/69/56/1018136956.db2.gz CEQZLMVZRZYWJL-CYBMUJFWSA-N 1 2 344.503 3.967 20 10 EHCDLO C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000834901826 1021082252 /nfs/dbraw/zinc/08/22/52/1021082252.db2.gz DCIRSSRBRJZKMS-MNOVXSKESA-N 1 2 346.240 3.761 20 10 EHCDLO C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)cc(F)c1O ZINC000926904321 1031028449 /nfs/dbraw/zinc/02/84/49/1031028449.db2.gz GIFVJJQCDKBSEB-PLMOITTCSA-N 1 2 339.304 3.821 20 10 EHCDLO Cc1cc(Cl)cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC000529664752 1034387711 /nfs/dbraw/zinc/38/77/11/1034387711.db2.gz GOHIZNKBBKBKKT-UHFFFAOYSA-N 1 2 329.831 3.580 20 10 EHCDLO Cc1cc(Cl)cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC000529664752 1034387720 /nfs/dbraw/zinc/38/77/20/1034387720.db2.gz GOHIZNKBBKBKKT-UHFFFAOYSA-N 1 2 329.831 3.580 20 10 EHCDLO Cc1nc(C2([NH2+]Cc3ccc(N(C)C)cc3)CCCCCC2)no1 ZINC000725851268 1035962244 /nfs/dbraw/zinc/96/22/44/1035962244.db2.gz LJNZUAXMYYXICG-UHFFFAOYSA-N 1 2 328.460 3.783 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OCC3CC3)CC2)c1O ZINC000377999814 1037625245 /nfs/dbraw/zinc/62/52/45/1037625245.db2.gz SJJZSEMYDUSCSS-UHFFFAOYSA-N 1 2 337.847 3.639 20 10 EHCDLO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756535461 1040153025 /nfs/dbraw/zinc/15/30/25/1040153025.db2.gz QFGXSKFDVJEVOQ-GHMZBOCLSA-N 1 2 347.272 3.675 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nc(-c3ccco3)no2)cc1 ZINC000913363950 1040760137 /nfs/dbraw/zinc/76/01/37/1040760137.db2.gz UDGAIGVJYWTUAS-UHFFFAOYSA-N 1 2 340.427 3.808 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc(-c3ccco3)no2)cc1 ZINC000913363950 1040760164 /nfs/dbraw/zinc/76/01/64/1040760164.db2.gz UDGAIGVJYWTUAS-UHFFFAOYSA-N 1 2 340.427 3.808 20 10 EHCDLO COc1ccc2c(c1)C[N@H+](Cc1cc(Br)ccc1O)C2 ZINC000692921064 1044064438 /nfs/dbraw/zinc/06/44/38/1044064438.db2.gz JUDIHLRAULIARO-UHFFFAOYSA-N 1 2 334.213 3.679 20 10 EHCDLO CCC(C)(C)OCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715757267 1129162197 /nfs/dbraw/zinc/16/21/97/1129162197.db2.gz FPRVEIMEYBUXNT-UHFFFAOYSA-N 1 2 334.229 3.589 20 10 EHCDLO Oc1ccc(Cl)cc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000731448887 1130798118 /nfs/dbraw/zinc/79/81/18/1130798118.db2.gz CZWKHTPCEQAHAJ-UHFFFAOYSA-N 1 2 344.886 3.842 20 10 EHCDLO CC(C)c1snnc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212687403 1131868462 /nfs/dbraw/zinc/86/84/62/1131868462.db2.gz REWZMJVKRQQGLU-UHFFFAOYSA-N 1 2 338.396 3.564 20 10 EHCDLO COCCn1c2ccccc2[nH+]c1NCc1c(O)cccc1Cl ZINC000766520129 1132594936 /nfs/dbraw/zinc/59/49/36/1132594936.db2.gz KBDWQZFHGXPHFW-UHFFFAOYSA-N 1 2 331.803 3.654 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC001178248614 1133145447 /nfs/dbraw/zinc/14/54/47/1133145447.db2.gz DOLVNDQTSHYQBU-UHFFFAOYSA-N 1 2 347.777 3.567 20 10 EHCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)c1 ZINC000768918539 1133203313 /nfs/dbraw/zinc/20/33/13/1133203313.db2.gz KRFDNFVLZDGQHU-UHFFFAOYSA-N 1 2 337.423 3.609 20 10 EHCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)c1 ZINC000768918539 1133203318 /nfs/dbraw/zinc/20/33/18/1133203318.db2.gz KRFDNFVLZDGQHU-UHFFFAOYSA-N 1 2 337.423 3.609 20 10 EHCDLO CC1(C)C[N@H+](Cc2cccc(Br)c2O)C(C)(C)CO1 ZINC000769446710 1133291578 /nfs/dbraw/zinc/29/15/78/1133291578.db2.gz RVWRMSPTFNIURY-UHFFFAOYSA-N 1 2 328.250 3.544 20 10 EHCDLO CC1(C)C[N@@H+](Cc2cccc(Br)c2O)C(C)(C)CO1 ZINC000769446710 1133291583 /nfs/dbraw/zinc/29/15/83/1133291583.db2.gz RVWRMSPTFNIURY-UHFFFAOYSA-N 1 2 328.250 3.544 20 10 EHCDLO Cc1ccccc1C[NH+]1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC001180413373 1133372182 /nfs/dbraw/zinc/37/21/82/1133372182.db2.gz SZTKGXPMPHHDPB-UHFFFAOYSA-N 1 2 348.849 3.811 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3cscc3Cl)CC2)cc1F ZINC000770307569 1133409118 /nfs/dbraw/zinc/40/91/18/1133409118.db2.gz STXRKPCFLITSHT-UHFFFAOYSA-N 1 2 340.851 3.871 20 10 EHCDLO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000789584099 1134298587 /nfs/dbraw/zinc/29/85/87/1134298587.db2.gz CTKAKWPBWNOYBM-MRXNPFEDSA-N 1 2 337.822 3.874 20 10 EHCDLO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000789584099 1134298591 /nfs/dbraw/zinc/29/85/91/1134298591.db2.gz CTKAKWPBWNOYBM-MRXNPFEDSA-N 1 2 337.822 3.874 20 10 EHCDLO C[C@H]([NH2+]C[C@H]1CCSC1)c1cc(Br)c(F)cc1O ZINC000790497187 1134426284 /nfs/dbraw/zinc/42/62/84/1134426284.db2.gz LMGSMOLYWGIHNM-DTWKUNHWSA-N 1 2 334.254 3.698 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000790965273 1134485978 /nfs/dbraw/zinc/48/59/78/1134485978.db2.gz AVOJGOCHKIYIQM-UHFFFAOYSA-N 1 2 349.818 3.993 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000792167580 1134661647 /nfs/dbraw/zinc/66/16/47/1134661647.db2.gz WJPGSTZNVVVWMY-ZDUSSCGKSA-N 1 2 339.794 3.959 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000792167580 1134661649 /nfs/dbraw/zinc/66/16/49/1134661649.db2.gz WJPGSTZNVVVWMY-ZDUSSCGKSA-N 1 2 339.794 3.959 20 10 EHCDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175202 1134663293 /nfs/dbraw/zinc/66/32/93/1134663293.db2.gz OWCMZPJOEUPPMS-LBPRGKRZSA-N 1 2 343.826 3.738 20 10 EHCDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175202 1134663296 /nfs/dbraw/zinc/66/32/96/1134663296.db2.gz OWCMZPJOEUPPMS-LBPRGKRZSA-N 1 2 343.826 3.738 20 10 EHCDLO C[C@H]([NH2+]Cc1c(O)cccc1Cl)c1nc(Cc2ccccc2)no1 ZINC000792182228 1134664011 /nfs/dbraw/zinc/66/40/11/1134664011.db2.gz YQYOXQZKDGSGRA-LBPRGKRZSA-N 1 2 343.814 3.870 20 10 EHCDLO Cc1cc(CC(=O)NCc2c[nH+]c(C)cc2C)c(C)n1-c1ccccc1 ZINC001129714453 1135142676 /nfs/dbraw/zinc/14/26/76/1135142676.db2.gz HLGYOGAMHALQGA-UHFFFAOYSA-N 1 2 347.462 3.965 20 10 EHCDLO CC[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cccc(Cl)c1O ZINC000806144098 1135399652 /nfs/dbraw/zinc/39/96/52/1135399652.db2.gz NZLINROZRAJCCW-CQSZACIVSA-N 1 2 340.851 3.706 20 10 EHCDLO CC[C@@H]([NH2+][C@H](CC(=O)NC)c1ccccc1)c1cccc(Cl)c1O ZINC000806164269 1135406088 /nfs/dbraw/zinc/40/60/88/1135406088.db2.gz PHKPOYRBUFGCMU-IAGOWNOFSA-N 1 2 346.858 3.964 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000775661424 1135434142 /nfs/dbraw/zinc/43/41/42/1135434142.db2.gz NNFPOLXXRFXEOW-OAHLLOKOSA-N 1 2 339.794 3.959 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000775661424 1135434144 /nfs/dbraw/zinc/43/41/44/1135434144.db2.gz NNFPOLXXRFXEOW-OAHLLOKOSA-N 1 2 339.794 3.959 20 10 EHCDLO CC[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000775695323 1135531523 /nfs/dbraw/zinc/53/15/23/1135531523.db2.gz LCMINWFHAYELKJ-KRWDZBQOSA-N 1 2 344.842 3.673 20 10 EHCDLO CC[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000775695323 1135531526 /nfs/dbraw/zinc/53/15/26/1135531526.db2.gz LCMINWFHAYELKJ-KRWDZBQOSA-N 1 2 344.842 3.673 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758109 1135887618 /nfs/dbraw/zinc/88/76/18/1135887618.db2.gz COJSZEZGXSJNSK-OLZOCXBDSA-N 1 2 327.827 3.823 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758109 1135887621 /nfs/dbraw/zinc/88/76/21/1135887621.db2.gz COJSZEZGXSJNSK-OLZOCXBDSA-N 1 2 327.827 3.823 20 10 EHCDLO Nc1ccc(Nc2cccc3c2C(=O)c2cccc(Cl)c2C3=O)c[nH+]1 ZINC001201292618 1136001557 /nfs/dbraw/zinc/00/15/57/1136001557.db2.gz QISKDHYXENIDPD-UHFFFAOYSA-N 1 2 349.777 3.836 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000776214348 1136063157 /nfs/dbraw/zinc/06/31/57/1136063157.db2.gz MXNCDTLRPIPRQO-UHFFFAOYSA-N 1 2 345.855 3.896 20 10 EHCDLO CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](O)c1c(F)cccc1F ZINC000776219148 1136071035 /nfs/dbraw/zinc/07/10/35/1136071035.db2.gz DFIRJPMSKBALNA-RHSMWYFYSA-N 1 2 341.785 3.926 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000814178385 1136411883 /nfs/dbraw/zinc/41/18/83/1136411883.db2.gz NUNLBWLHFSPQPW-CYBMUJFWSA-N 1 2 338.785 3.692 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3ccon3)CC2)c1O ZINC000852673906 1136476349 /nfs/dbraw/zinc/47/63/49/1136476349.db2.gz ZWBMXNYBZQDBJR-UHFFFAOYSA-N 1 2 334.803 3.616 20 10 EHCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000853566057 1136545054 /nfs/dbraw/zinc/54/50/54/1136545054.db2.gz DSRMOVGBZGELMO-IBGZPJMESA-N 1 2 338.382 3.653 20 10 EHCDLO Oc1ccc2ccncc2c1C[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000853566057 1136545058 /nfs/dbraw/zinc/54/50/58/1136545058.db2.gz DSRMOVGBZGELMO-IBGZPJMESA-N 1 2 338.382 3.653 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](c1ccccc1)N(C)C ZINC000816571140 1136738922 /nfs/dbraw/zinc/73/89/22/1136738922.db2.gz SXJCKBYGCLVFBU-XIKOKIGWSA-N 1 2 336.838 3.966 20 10 EHCDLO CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1O ZINC000817981483 1136854902 /nfs/dbraw/zinc/85/49/02/1136854902.db2.gz RZEVSFYLEWTJKC-WDEREUQCSA-N 1 2 339.213 3.737 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cccc(Cl)c1O ZINC000858479130 1136971839 /nfs/dbraw/zinc/97/18/39/1136971839.db2.gz IZJCDRSXBPDYIN-FZMZJTMJSA-N 1 2 332.822 3.816 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cccc(Cl)c1O ZINC000858479132 1136971852 /nfs/dbraw/zinc/97/18/52/1136971852.db2.gz IZJCDRSXBPDYIN-SMDDNHRTSA-N 1 2 332.822 3.816 20 10 EHCDLO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cc(Br)cc(F)c1O ZINC000858547078 1136977959 /nfs/dbraw/zinc/97/79/59/1136977959.db2.gz INPCCLUCOLHDJO-UPLXVJCVSA-N 1 2 344.224 3.512 20 10 EHCDLO Cc1cc(F)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000822443626 1137058656 /nfs/dbraw/zinc/05/86/56/1137058656.db2.gz YRAHZJLDYHJRCC-UHFFFAOYSA-N 1 2 346.421 3.742 20 10 EHCDLO Cc1cc(F)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000822443626 1137058657 /nfs/dbraw/zinc/05/86/57/1137058657.db2.gz YRAHZJLDYHJRCC-UHFFFAOYSA-N 1 2 346.421 3.742 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529864 1137062623 /nfs/dbraw/zinc/06/26/23/1137062623.db2.gz KKPACGQMBHCYAJ-KRWDZBQOSA-N 1 2 339.838 3.966 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529864 1137062624 /nfs/dbraw/zinc/06/26/24/1137062624.db2.gz KKPACGQMBHCYAJ-KRWDZBQOSA-N 1 2 339.838 3.966 20 10 EHCDLO CC(C)n1cc(C2=CCC[N@H+](Cc3cccc(Cl)c3O)CC2)nn1 ZINC000824738938 1137149058 /nfs/dbraw/zinc/14/90/58/1137149058.db2.gz TUQTXOAMPNXGLL-UHFFFAOYSA-N 1 2 346.862 3.897 20 10 EHCDLO CC(C)n1cc(C2=CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)nn1 ZINC000824738938 1137149062 /nfs/dbraw/zinc/14/90/62/1137149062.db2.gz TUQTXOAMPNXGLL-UHFFFAOYSA-N 1 2 346.862 3.897 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824751427 1137152391 /nfs/dbraw/zinc/15/23/91/1137152391.db2.gz WGOVDCHUEAFIKT-GFCCVEGCSA-N 1 2 340.261 3.594 20 10 EHCDLO CCn1cc(C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C(C)C)cn1 ZINC000844417042 1137219039 /nfs/dbraw/zinc/21/90/39/1137219039.db2.gz IKBKLCQQYBXKRP-UHFFFAOYSA-N 1 2 349.862 3.875 20 10 EHCDLO CCn1cc(C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C(C)C)cn1 ZINC000844417042 1137219040 /nfs/dbraw/zinc/21/90/40/1137219040.db2.gz IKBKLCQQYBXKRP-UHFFFAOYSA-N 1 2 349.862 3.875 20 10 EHCDLO C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1cc(F)cc(F)c1O ZINC000866422085 1137353750 /nfs/dbraw/zinc/35/37/50/1137353750.db2.gz IOYDLLLAYRCWJX-LBPRGKRZSA-N 1 2 349.377 3.741 20 10 EHCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000877825546 1137692320 /nfs/dbraw/zinc/69/23/20/1137692320.db2.gz VOGPXUWUXDPWDB-OAHLLOKOSA-N 1 2 346.814 3.503 20 10 EHCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000877825546 1137692321 /nfs/dbraw/zinc/69/23/21/1137692321.db2.gz VOGPXUWUXDPWDB-OAHLLOKOSA-N 1 2 346.814 3.503 20 10 EHCDLO COC1CCC(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883029526 1137842207 /nfs/dbraw/zinc/84/22/07/1137842207.db2.gz XDQZBVAMZVJHSF-UHFFFAOYSA-N 1 2 346.240 3.589 20 10 EHCDLO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883082051 1137843911 /nfs/dbraw/zinc/84/39/11/1137843911.db2.gz VQSUCKBMVIDKCN-SNVBAGLBSA-N 1 2 339.208 3.848 20 10 EHCDLO Oc1cccc(Cl)c1CNc1ccccc1OCCn1cc[nH+]c1 ZINC000122650939 1018383174 /nfs/dbraw/zinc/38/31/74/1018383174.db2.gz UTJJECUFTRSCQM-UHFFFAOYSA-N 1 2 343.814 3.933 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3cc(C)c(F)c(F)c3)CC2)cc1 ZINC001143592872 1024073902 /nfs/dbraw/zinc/07/39/02/1024073902.db2.gz WXHOMWXWIUESNF-UHFFFAOYSA-N 1 2 332.394 3.604 20 10 EHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001142520267 1033190673 /nfs/dbraw/zinc/19/06/73/1033190673.db2.gz FCKPTOHHQRYEQY-GFCCVEGCSA-N 1 2 341.304 3.602 20 10 EHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001142520267 1033190678 /nfs/dbraw/zinc/19/06/78/1033190678.db2.gz FCKPTOHHQRYEQY-GFCCVEGCSA-N 1 2 341.304 3.602 20 10 EHCDLO C[N@H+](Cc1ccns1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000895454098 1024519357 /nfs/dbraw/zinc/51/93/57/1024519357.db2.gz TUMLFBFPOOSWQW-UHFFFAOYSA-N 1 2 346.456 3.674 20 10 EHCDLO C[N@@H+](Cc1ccns1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000895454098 1024519366 /nfs/dbraw/zinc/51/93/66/1024519366.db2.gz TUMLFBFPOOSWQW-UHFFFAOYSA-N 1 2 346.456 3.674 20 10 EHCDLO C[N@@H+](Cc1cc(F)c(F)cc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142527404 1033273497 /nfs/dbraw/zinc/27/34/97/1033273497.db2.gz TXSWTLVPDPYXDM-MRXNPFEDSA-N 1 2 346.421 3.624 20 10 EHCDLO C[N@H+](Cc1cc(F)c(F)cc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142527404 1033273508 /nfs/dbraw/zinc/27/35/08/1033273508.db2.gz TXSWTLVPDPYXDM-MRXNPFEDSA-N 1 2 346.421 3.624 20 10 EHCDLO C[NH+](Cc1cc(F)c(F)cc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142527404 1033273521 /nfs/dbraw/zinc/27/35/21/1033273521.db2.gz TXSWTLVPDPYXDM-MRXNPFEDSA-N 1 2 346.421 3.624 20 10 EHCDLO C[NH+](Cc1cc(F)c(F)cc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142527404 1033273529 /nfs/dbraw/zinc/27/35/29/1033273529.db2.gz TXSWTLVPDPYXDM-MRXNPFEDSA-N 1 2 346.421 3.624 20 10 EHCDLO C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142527404 1033273534 /nfs/dbraw/zinc/27/35/34/1033273534.db2.gz TXSWTLVPDPYXDM-MRXNPFEDSA-N 1 2 346.421 3.624 20 10 EHCDLO C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142527404 1033273544 /nfs/dbraw/zinc/27/35/44/1033273544.db2.gz TXSWTLVPDPYXDM-MRXNPFEDSA-N 1 2 346.421 3.624 20 10 EHCDLO C[NH+](Cc1cc(F)c(F)cc1[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142527404 1033273555 /nfs/dbraw/zinc/27/35/55/1033273555.db2.gz TXSWTLVPDPYXDM-MRXNPFEDSA-N 1 2 346.421 3.624 20 10 EHCDLO C[NH+](Cc1cc(F)c(F)cc1[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142527404 1033273568 /nfs/dbraw/zinc/27/35/68/1033273568.db2.gz TXSWTLVPDPYXDM-MRXNPFEDSA-N 1 2 346.421 3.624 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897981129 1033276929 /nfs/dbraw/zinc/27/69/29/1033276929.db2.gz IDEGPVAMBDSAMV-UHFFFAOYSA-N 1 2 329.271 3.806 20 10 EHCDLO CCCCn1nc(C)c(C[NH2+]Cc2c(O)cccc2F)c1Cl ZINC000896641826 1025794015 /nfs/dbraw/zinc/79/40/15/1025794015.db2.gz SKTNRPYHAHFEOE-UHFFFAOYSA-N 1 2 325.815 3.780 20 10 EHCDLO Cc1ccc(C[NH+](C)C)cc1N[C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273499051 1027459436 /nfs/dbraw/zinc/45/94/36/1027459436.db2.gz YIZPXZSVRGNSDA-CYBMUJFWSA-N 1 2 329.400 3.844 20 10 EHCDLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)cs1 ZINC000273622750 1027522974 /nfs/dbraw/zinc/52/29/74/1027522974.db2.gz ZOHLTKZAAZWTOK-GHMZBOCLSA-N 1 2 334.441 3.610 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c1O ZINC000527617696 1031040020 /nfs/dbraw/zinc/04/00/20/1031040020.db2.gz DNYVTBBJJJZFBH-UHFFFAOYSA-N 1 2 347.846 3.526 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c1O ZINC000527617696 1031040030 /nfs/dbraw/zinc/04/00/30/1031040030.db2.gz DNYVTBBJJJZFBH-UHFFFAOYSA-N 1 2 347.846 3.526 20 10 EHCDLO Oc1c(CNc2[nH+]cnc3[nH]cc(F)c32)cc(Cl)c2cccnc12 ZINC001168527836 1126830192 /nfs/dbraw/zinc/83/01/92/1126830192.db2.gz MWCWBJWFNZQHFA-UHFFFAOYSA-N 1 2 343.749 3.568 20 10 EHCDLO CCOc1ccc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(O)c1 ZINC000765719568 1127736770 /nfs/dbraw/zinc/73/67/70/1127736770.db2.gz NIPLHQMYCNGNAJ-HNNXBMFYSA-N 1 2 346.496 3.731 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC001648891365 1120062995 /nfs/dbraw/zinc/06/29/95/1120062995.db2.gz CKNIBSQDYAUBDR-UHFFFAOYSA-N 1 2 345.805 3.719 20 10 EHCDLO Oc1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000182386814 1125271092 /nfs/dbraw/zinc/27/10/92/1125271092.db2.gz UXFRSOGZHQVJSU-KRWDZBQOSA-N 1 2 337.341 3.985 20 10 EHCDLO Oc1ccccc1C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000182386814 1125271094 /nfs/dbraw/zinc/27/10/94/1125271094.db2.gz UXFRSOGZHQVJSU-KRWDZBQOSA-N 1 2 337.341 3.985 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1C(C)C ZINC000744442081 1132099292 /nfs/dbraw/zinc/09/92/92/1132099292.db2.gz DPDWKNJYWGOYOX-LRDDRELGSA-N 1 2 331.378 3.976 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1C(C)C ZINC000744442081 1132099299 /nfs/dbraw/zinc/09/92/99/1132099299.db2.gz DPDWKNJYWGOYOX-LRDDRELGSA-N 1 2 331.378 3.976 20 10 EHCDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000769385657 1133274390 /nfs/dbraw/zinc/27/43/90/1133274390.db2.gz ZTJXCNHSBNOPJU-UHFFFAOYSA-N 1 2 342.395 3.951 20 10 EHCDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000769385657 1133274399 /nfs/dbraw/zinc/27/43/99/1133274399.db2.gz ZTJXCNHSBNOPJU-UHFFFAOYSA-N 1 2 342.395 3.951 20 10 EHCDLO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC001182742458 1133727997 /nfs/dbraw/zinc/72/79/97/1133727997.db2.gz BEYNZSLADYEFCR-PWSUYJOCSA-N 1 2 343.826 3.785 20 10 EHCDLO COc1c(O)c(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)ccc1[N+](=O)[O-] ZINC000774887364 1134101329 /nfs/dbraw/zinc/10/13/29/1134101329.db2.gz ZFPFWXVNQTWQLW-LLVKDONJSA-N 1 2 346.358 3.567 20 10 EHCDLO COc1c(O)c(C[N@H+]2CCc3cccc(F)c3[C@H]2C)ccc1[N+](=O)[O-] ZINC000774887364 1134101331 /nfs/dbraw/zinc/10/13/31/1134101331.db2.gz ZFPFWXVNQTWQLW-LLVKDONJSA-N 1 2 346.358 3.567 20 10 EHCDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)[nH]1 ZINC000788684815 1134157170 /nfs/dbraw/zinc/15/71/70/1134157170.db2.gz FNSDZCGLGZEOMW-BDAKNGLRSA-N 1 2 328.338 3.503 20 10 EHCDLO Oc1ccc(Cl)cc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001203663621 1134346732 /nfs/dbraw/zinc/34/67/32/1134346732.db2.gz BUXKSFNUMROTBE-UHFFFAOYSA-N 1 2 348.849 3.893 20 10 EHCDLO Oc1ccc(Cl)cc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001203663621 1134346739 /nfs/dbraw/zinc/34/67/39/1134346739.db2.gz BUXKSFNUMROTBE-UHFFFAOYSA-N 1 2 348.849 3.893 20 10 EHCDLO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000775152602 1134397631 /nfs/dbraw/zinc/39/76/31/1134397631.db2.gz NPZKYJYIEBVFJW-DOMZBBRYSA-N 1 2 342.277 3.696 20 10 EHCDLO CO[C@@H](C)c1nc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cs1 ZINC000790972922 1134493854 /nfs/dbraw/zinc/49/38/54/1134493854.db2.gz KNFSZAKEJJYMHS-QMMMGPOBSA-N 1 2 330.812 3.638 20 10 EHCDLO COc1ccc(C[N@H+](C)Cc2c(O)ccc(Cl)c2F)c(OC)c1 ZINC000792157543 1134658968 /nfs/dbraw/zinc/65/89/68/1134658968.db2.gz YFZFULZWDJMJCG-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO COc1ccc(C[N@@H+](C)Cc2c(O)ccc(Cl)c2F)c(OC)c1 ZINC000792157543 1134658975 /nfs/dbraw/zinc/65/89/75/1134658975.db2.gz YFZFULZWDJMJCG-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO Cc1cc(C(=O)C[N@H+]2CCOCC[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000775567489 1135095103 /nfs/dbraw/zinc/09/51/03/1135095103.db2.gz KVHNRSOFCKSZLC-CQSZACIVSA-N 1 2 344.430 3.527 20 10 EHCDLO Cc1cc(C(=O)C[N@@H+]2CCOCC[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000775567489 1135095106 /nfs/dbraw/zinc/09/51/06/1135095106.db2.gz KVHNRSOFCKSZLC-CQSZACIVSA-N 1 2 344.430 3.527 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806133027 1135387935 /nfs/dbraw/zinc/38/79/35/1135387935.db2.gz FOHZNBSBQOSBTG-CRAIPNDOSA-N 1 2 333.859 3.938 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cccc(Cl)c1O ZINC000806129610 1135396003 /nfs/dbraw/zinc/39/60/03/1135396003.db2.gz YZMJMRYTWMAXGR-DOMZBBRYSA-N 1 2 333.815 3.926 20 10 EHCDLO CC[C@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806161165 1135405138 /nfs/dbraw/zinc/40/51/38/1135405138.db2.gz XMEDHFRAXDEKON-RISCZKNCSA-N 1 2 342.867 4.000 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000808089330 1135617068 /nfs/dbraw/zinc/61/70/68/1135617068.db2.gz KMFMSHDGCSDTNV-UHFFFAOYSA-N 1 2 339.226 3.701 20 10 EHCDLO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809788504 1135892218 /nfs/dbraw/zinc/89/22/18/1135892218.db2.gz SEOFIOZROIZECV-CYBMUJFWSA-N 1 2 336.838 3.795 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000810093621 1135920610 /nfs/dbraw/zinc/92/06/10/1135920610.db2.gz OIVLXIODCDVDDG-WMZOPIPTSA-N 1 2 349.858 3.782 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc([S@@](C)=O)cc1 ZINC000776253109 1136102259 /nfs/dbraw/zinc/10/22/59/1136102259.db2.gz RZKHEQAOIJPYNW-MLMJSJRWSA-N 1 2 341.835 3.773 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000776255809 1136111005 /nfs/dbraw/zinc/11/10/05/1136111005.db2.gz JAMLOYCGTNVTSN-MBNYWOFBSA-N 1 2 333.881 3.654 20 10 EHCDLO Oc1cccc(Cl)c1CNc1cc[nH+]c(OCC(F)(F)F)c1 ZINC000811838167 1136143554 /nfs/dbraw/zinc/14/35/54/1136143554.db2.gz XJBPWCBABBZTFN-UHFFFAOYSA-N 1 2 332.709 3.994 20 10 EHCDLO COCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000813883356 1136372607 /nfs/dbraw/zinc/37/26/07/1136372607.db2.gz TYSZWZFUXXEGFN-VIFPVBQESA-N 1 2 334.229 3.617 20 10 EHCDLO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)n[nH]1 ZINC000815597052 1136616888 /nfs/dbraw/zinc/61/68/88/1136616888.db2.gz LJFLUYZPNSMSDG-ONGXEEELSA-N 1 2 327.350 3.724 20 10 EHCDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816501969 1136727548 /nfs/dbraw/zinc/72/75/48/1136727548.db2.gz IQEJRIHECMJNOU-UHFFFAOYSA-N 1 2 339.823 3.834 20 10 EHCDLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816501969 1136727549 /nfs/dbraw/zinc/72/75/49/1136727549.db2.gz IQEJRIHECMJNOU-UHFFFAOYSA-N 1 2 339.823 3.834 20 10 EHCDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(Cl)c(F)cc1O ZINC000816516025 1136729863 /nfs/dbraw/zinc/72/98/63/1136729863.db2.gz SKMREIXIBUBDLJ-UHFFFAOYSA-N 1 2 327.783 3.735 20 10 EHCDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(Cl)c(F)cc1O ZINC000816516025 1136729866 /nfs/dbraw/zinc/72/98/66/1136729866.db2.gz SKMREIXIBUBDLJ-UHFFFAOYSA-N 1 2 327.783 3.735 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000816615994 1136741934 /nfs/dbraw/zinc/74/19/34/1136741934.db2.gz LNOYLYMJVOTOOW-HZPDHXFCSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000816615994 1136741938 /nfs/dbraw/zinc/74/19/38/1136741938.db2.gz LNOYLYMJVOTOOW-HZPDHXFCSA-N 1 2 325.811 3.718 20 10 EHCDLO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCO1 ZINC000817587155 1136825836 /nfs/dbraw/zinc/82/58/36/1136825836.db2.gz VJYDVLFUBNKKEB-ADEWGFFLSA-N 1 2 346.240 3.902 20 10 EHCDLO CCc1nc([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cs1 ZINC000858134947 1136942176 /nfs/dbraw/zinc/94/21/76/1136942176.db2.gz XMGOPCKNPSJRRS-JTQLQIEISA-N 1 2 325.428 3.901 20 10 EHCDLO CCCN(Cc1ccccc1O)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000820878436 1137009745 /nfs/dbraw/zinc/00/97/45/1137009745.db2.gz ISERCQGEBYXDTA-QGZVFWFLSA-N 1 2 329.444 3.615 20 10 EHCDLO Oc1cccc(Br)c1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000862363956 1137140361 /nfs/dbraw/zinc/14/03/61/1137140361.db2.gz XXFCENKGUMJBDI-CQSZACIVSA-N 1 2 336.233 3.605 20 10 EHCDLO Oc1cccc(Br)c1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000862363956 1137140362 /nfs/dbraw/zinc/14/03/62/1137140362.db2.gz XXFCENKGUMJBDI-CQSZACIVSA-N 1 2 336.233 3.605 20 10 EHCDLO Oc1cc(O)c(C[N@@H+]2CC[C@H](Cc3ccccc3)C(F)(F)C2)c(O)c1 ZINC001144520397 1137302776 /nfs/dbraw/zinc/30/27/76/1137302776.db2.gz OWYIAFMVXMDTMU-CQSZACIVSA-N 1 2 349.377 3.503 20 10 EHCDLO Oc1cc(O)c(C[N@H+]2CC[C@H](Cc3ccccc3)C(F)(F)C2)c(O)c1 ZINC001144520397 1137302778 /nfs/dbraw/zinc/30/27/78/1137302778.db2.gz OWYIAFMVXMDTMU-CQSZACIVSA-N 1 2 349.377 3.503 20 10 EHCDLO CC[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cccc(Cl)c1O ZINC000846216023 1137341864 /nfs/dbraw/zinc/34/18/64/1137341864.db2.gz OVXFFGZXRSNTLZ-HOTGVXAUSA-N 1 2 346.858 3.863 20 10 EHCDLO CC[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc(Cl)c1O ZINC000866568520 1137365441 /nfs/dbraw/zinc/36/54/41/1137365441.db2.gz WYWZSNACADATGA-GFCCVEGCSA-N 1 2 329.778 3.958 20 10 EHCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC000866597039 1137367762 /nfs/dbraw/zinc/36/77/62/1137367762.db2.gz WKQYANAFNJRLTA-ZBEGNZNMSA-N 1 2 335.350 3.679 20 10 EHCDLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1cc(F)cc(F)c1O ZINC000866619608 1137370092 /nfs/dbraw/zinc/37/00/92/1137370092.db2.gz FWKNJHVKEFSHBO-LURJTMIESA-N 1 2 349.200 3.740 20 10 EHCDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2O)cc1OC ZINC000877035261 1137668296 /nfs/dbraw/zinc/66/82/96/1137668296.db2.gz FXGSZJHKSRBYGY-SECBINFHSA-N 1 2 341.329 3.678 20 10 EHCDLO C[C@@H](CCc1cccnc1)[NH2+]Cc1cccc(Br)c1O ZINC000877479013 1137677673 /nfs/dbraw/zinc/67/76/73/1137677673.db2.gz OMZFLKUWDPJYCR-LBPRGKRZSA-N 1 2 335.245 3.661 20 10 EHCDLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1nc(C(F)(F)F)cs1 ZINC000877483350 1137677849 /nfs/dbraw/zinc/67/78/49/1137677849.db2.gz STQMGWXIELYNNB-LURJTMIESA-N 1 2 338.301 3.997 20 10 EHCDLO CC[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000886520451 1138088859 /nfs/dbraw/zinc/08/88/59/1138088859.db2.gz FEKGQPSQRXGYLR-TZMCWYRMSA-N 1 2 332.423 3.651 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](Cc2ccccn2)C2CC2)c1O ZINC000180857135 1139868667 /nfs/dbraw/zinc/86/86/67/1139868667.db2.gz KKKVVZLDVXXQMJ-UHFFFAOYSA-N 1 2 330.815 3.808 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](Cc2ccccn2)C2CC2)c1O ZINC000180857135 1139868673 /nfs/dbraw/zinc/86/86/73/1139868673.db2.gz KKKVVZLDVXXQMJ-UHFFFAOYSA-N 1 2 330.815 3.808 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000184684411 1140115058 /nfs/dbraw/zinc/11/50/58/1140115058.db2.gz CUPTUEUKVJURNR-AWEZNQCLSA-N 1 2 339.844 3.689 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000184684411 1140115060 /nfs/dbraw/zinc/11/50/60/1140115060.db2.gz CUPTUEUKVJURNR-AWEZNQCLSA-N 1 2 339.844 3.689 20 10 EHCDLO CC[N@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(OC)cc1 ZINC000283308934 1141594285 /nfs/dbraw/zinc/59/42/85/1141594285.db2.gz YVGQWTAFGOYBAV-QGZVFWFLSA-N 1 2 338.451 3.684 20 10 EHCDLO CC[N@@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(OC)cc1 ZINC000283308934 1141594289 /nfs/dbraw/zinc/59/42/89/1141594289.db2.gz YVGQWTAFGOYBAV-QGZVFWFLSA-N 1 2 338.451 3.684 20 10 EHCDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc(O)c1O ZINC001625788226 1014673434 /nfs/dbraw/zinc/67/34/34/1014673434.db2.gz VFZODDZUJZVUGE-UHFFFAOYSA-N 1 2 349.390 3.550 20 10 EHCDLO COc1cc(Cl)cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000896423943 1025437097 /nfs/dbraw/zinc/43/70/97/1025437097.db2.gz WNFVWPCNUKXMIX-XJKSGUPXSA-N 1 2 337.778 3.616 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000271896753 1029220649 /nfs/dbraw/zinc/22/06/49/1029220649.db2.gz YLXWJZLHRSVHOJ-CYBMUJFWSA-N 1 2 333.819 3.686 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000271896753 1029220673 /nfs/dbraw/zinc/22/06/73/1029220673.db2.gz YLXWJZLHRSVHOJ-CYBMUJFWSA-N 1 2 333.819 3.686 20 10 EHCDLO Cn1ccc([C@H]([NH2+]Cc2cc(F)ccc2O)c2ccc(Cl)cc2)n1 ZINC000364103810 1039772598 /nfs/dbraw/zinc/77/25/98/1039772598.db2.gz RSCURKZVBSLAHH-GOSISDBHSA-N 1 2 345.805 3.797 20 10 EHCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCc2ccccc21 ZINC001648998601 1120342623 /nfs/dbraw/zinc/34/26/23/1120342623.db2.gz GZDMKSDOUZFSBT-GFCCVEGCSA-N 1 2 334.822 3.726 20 10 EHCDLO COc1ccc(N2CC[NH+]([C@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000916984841 1122429569 /nfs/dbraw/zinc/42/95/69/1122429569.db2.gz NDCDDGNLQRHGDG-CQSZACIVSA-N 1 2 332.394 3.857 20 10 EHCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)CC1CC(F)(F)C1 ZINC000715771216 1129356370 /nfs/dbraw/zinc/35/63/70/1129356370.db2.gz KQODEOQSIWTTOU-UHFFFAOYSA-N 1 2 338.167 3.771 20 10 EHCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)CC1CC(F)(F)C1 ZINC000715771216 1129356375 /nfs/dbraw/zinc/35/63/75/1129356375.db2.gz KQODEOQSIWTTOU-UHFFFAOYSA-N 1 2 338.167 3.771 20 10 EHCDLO CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OC)cc1 ZINC000741781921 1131647120 /nfs/dbraw/zinc/64/71/20/1131647120.db2.gz RJRXQFQBERISPC-HNNXBMFYSA-N 1 2 334.460 3.779 20 10 EHCDLO CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OC)cc1 ZINC000741781921 1131647122 /nfs/dbraw/zinc/64/71/22/1131647122.db2.gz RJRXQFQBERISPC-HNNXBMFYSA-N 1 2 334.460 3.779 20 10 EHCDLO CC(C)c1snnc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212687320 1131868660 /nfs/dbraw/zinc/86/86/60/1131868660.db2.gz MUCVUEUHDPAFIJ-UHFFFAOYSA-N 1 2 338.396 3.564 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1C(C)C ZINC000744442085 1132100458 /nfs/dbraw/zinc/10/04/58/1132100458.db2.gz DPDWKNJYWGOYOX-WBMJQRKESA-N 1 2 331.378 3.976 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1C(C)C ZINC000744442085 1132100459 /nfs/dbraw/zinc/10/04/59/1132100459.db2.gz DPDWKNJYWGOYOX-WBMJQRKESA-N 1 2 331.378 3.976 20 10 EHCDLO CN(C)c1ccc(C=Cc2ccc(NC(=O)Cc3c[nH]c[nH+]3)cc2)cc1 ZINC001176833689 1133004899 /nfs/dbraw/zinc/00/48/99/1133004899.db2.gz RGTSLFLWNWEIMW-ONEGZZNKSA-N 1 2 346.434 3.827 20 10 EHCDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000768529935 1133150405 /nfs/dbraw/zinc/15/04/05/1133150405.db2.gz WGSKOHJSCYGBMO-LBPRGKRZSA-N 1 2 343.826 3.738 20 10 EHCDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000768529935 1133150406 /nfs/dbraw/zinc/15/04/06/1133150406.db2.gz WGSKOHJSCYGBMO-LBPRGKRZSA-N 1 2 343.826 3.738 20 10 EHCDLO C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769515424 1133306925 /nfs/dbraw/zinc/30/69/25/1133306925.db2.gz QBQQRCFVHWXKKQ-CYBMUJFWSA-N 1 2 343.298 3.863 20 10 EHCDLO C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769515424 1133306930 /nfs/dbraw/zinc/30/69/30/1133306930.db2.gz QBQQRCFVHWXKKQ-CYBMUJFWSA-N 1 2 343.298 3.863 20 10 EHCDLO C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769515424 1133306936 /nfs/dbraw/zinc/30/69/36/1133306936.db2.gz QBQQRCFVHWXKKQ-CYBMUJFWSA-N 1 2 343.298 3.863 20 10 EHCDLO C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769515424 1133306941 /nfs/dbraw/zinc/30/69/41/1133306941.db2.gz QBQQRCFVHWXKKQ-CYBMUJFWSA-N 1 2 343.298 3.863 20 10 EHCDLO O=C1/C(=C\c2cccc3[nH+]ccn32)SC(=S)N1c1ccccc1 ZINC000769609395 1133320680 /nfs/dbraw/zinc/32/06/80/1133320680.db2.gz ZBEOWCUBIGGKFD-SDNWHVSQSA-N 1 2 337.429 3.740 20 10 EHCDLO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC001180430444 1133368778 /nfs/dbraw/zinc/36/87/78/1133368778.db2.gz NMJRXOALGPZUMK-VOTSOKGWSA-N 1 2 348.450 3.547 20 10 EHCDLO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC001180430444 1133368782 /nfs/dbraw/zinc/36/87/82/1133368782.db2.gz NMJRXOALGPZUMK-VOTSOKGWSA-N 1 2 348.450 3.547 20 10 EHCDLO Cc1cccc(CN2CC[NH+](C/C=C\c3ccc(N(C)C)cc3)CC2)c1 ZINC001180413400 1133372440 /nfs/dbraw/zinc/37/24/40/1133372440.db2.gz ULXWKXVYRKOWSY-YVMONPNESA-N 1 2 349.522 3.892 20 10 EHCDLO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(F)c(F)cc1O ZINC001180452895 1133377479 /nfs/dbraw/zinc/37/74/79/1133377479.db2.gz QPBDIQNLOIGEOF-UHFFFAOYSA-N 1 2 343.377 3.547 20 10 EHCDLO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(F)c(F)cc1O ZINC001180452895 1133377484 /nfs/dbraw/zinc/37/74/84/1133377484.db2.gz QPBDIQNLOIGEOF-UHFFFAOYSA-N 1 2 343.377 3.547 20 10 EHCDLO CN(C)c1cc(F)c(C[N@H+](C)Cc2cc(F)cc(F)c2)cc1F ZINC001181446372 1133488837 /nfs/dbraw/zinc/48/88/37/1133488837.db2.gz YBRANARRLUYWHH-UHFFFAOYSA-N 1 2 326.337 3.941 20 10 EHCDLO CN(C)c1cc(F)c(C[N@@H+](C)Cc2cc(F)cc(F)c2)cc1F ZINC001181446372 1133488839 /nfs/dbraw/zinc/48/88/39/1133488839.db2.gz YBRANARRLUYWHH-UHFFFAOYSA-N 1 2 326.337 3.941 20 10 EHCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCc1[nH]cc[nH+]1 ZINC000774089793 1133600691 /nfs/dbraw/zinc/60/06/91/1133600691.db2.gz QIXRXFZAQOWUTJ-MRXNPFEDSA-N 1 2 349.434 3.838 20 10 EHCDLO COc1cc(Br)cc(C[N@@H+]2Cc3cccc(C)c3C2)c1O ZINC001204336443 1133639460 /nfs/dbraw/zinc/63/94/60/1133639460.db2.gz OYOMYWVRDSPZLR-UHFFFAOYSA-N 1 2 348.240 3.988 20 10 EHCDLO COc1cc(Br)cc(C[N@H+]2Cc3cccc(C)c3C2)c1O ZINC001204336443 1133639463 /nfs/dbraw/zinc/63/94/63/1133639463.db2.gz OYOMYWVRDSPZLR-UHFFFAOYSA-N 1 2 348.240 3.988 20 10 EHCDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cc(OC)c(OC)cc1O ZINC001184463274 1133943870 /nfs/dbraw/zinc/94/38/70/1133943870.db2.gz ZFDCVHABKYPSMJ-UHFFFAOYSA-N 1 2 345.374 3.530 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787332801 1133990338 /nfs/dbraw/zinc/99/03/38/1133990338.db2.gz PSXNOKIJOQWYAA-AWEZNQCLSA-N 1 2 348.176 3.800 20 10 EHCDLO CC[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1cccc(Cl)c1O ZINC000806136233 1135389662 /nfs/dbraw/zinc/38/96/62/1135389662.db2.gz VPHBYGDDLUGNMA-MRXNPFEDSA-N 1 2 338.879 3.879 20 10 EHCDLO CC[C@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806162439 1135405210 /nfs/dbraw/zinc/40/52/10/1135405210.db2.gz XMEDHFRAXDEKON-FZMZJTMJSA-N 1 2 342.867 4.000 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000806181595 1135406341 /nfs/dbraw/zinc/40/63/41/1135406341.db2.gz YNTZINDKUZEJOB-MLGOLLRUSA-N 1 2 328.378 3.501 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)cc1F ZINC000809720410 1135878063 /nfs/dbraw/zinc/87/80/63/1135878063.db2.gz BTMHEVZOGIRMKZ-QGZVFWFLSA-N 1 2 332.423 3.700 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)cc1F ZINC000809720410 1135878067 /nfs/dbraw/zinc/87/80/67/1135878067.db2.gz BTMHEVZOGIRMKZ-QGZVFWFLSA-N 1 2 332.423 3.700 20 10 EHCDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775982233 1135910532 /nfs/dbraw/zinc/91/05/32/1135910532.db2.gz ZYCOQENKBKJAGS-IBGZPJMESA-N 1 2 347.459 3.586 20 10 EHCDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775982233 1135910533 /nfs/dbraw/zinc/91/05/33/1135910533.db2.gz ZYCOQENKBKJAGS-IBGZPJMESA-N 1 2 347.459 3.586 20 10 EHCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](CC)c2cc(Cl)ccc2O)no1 ZINC000810256464 1135949462 /nfs/dbraw/zinc/94/94/62/1135949462.db2.gz ZYAFHILKHLLEAP-MFKMUULPSA-N 1 2 339.823 3.767 20 10 EHCDLO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000776255425 1136111531 /nfs/dbraw/zinc/11/15/31/1136111531.db2.gz DFUBUYBVCYDAKN-SGTLLEGYSA-N 1 2 335.831 3.920 20 10 EHCDLO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Br)cc(F)c1O ZINC000850525725 1136277861 /nfs/dbraw/zinc/27/78/61/1136277861.db2.gz QBXLOIMUOSKLGN-MWLCHTKSSA-N 1 2 344.224 3.656 20 10 EHCDLO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Br)cc(F)c1O ZINC000850536987 1136281654 /nfs/dbraw/zinc/28/16/54/1136281654.db2.gz PUWZHPBYJXBMIL-MADCSZMMSA-N 1 2 338.167 3.990 20 10 EHCDLO CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cccc(Cl)c1O ZINC000850561638 1136286546 /nfs/dbraw/zinc/28/65/46/1136286546.db2.gz KKFXTOCQSGGNHL-QAPCUYQASA-N 1 2 341.879 3.654 20 10 EHCDLO O=C1/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1C1CCC1 ZINC000814185737 1136418570 /nfs/dbraw/zinc/41/85/70/1136418570.db2.gz OTCANRSALTXJOU-GDNBJRDFSA-N 1 2 341.461 3.626 20 10 EHCDLO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c1O ZINC000815657941 1136622845 /nfs/dbraw/zinc/62/28/45/1136622845.db2.gz NFCAHYLHOKLKAX-ZDUSSCGKSA-N 1 2 342.830 3.786 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cn(-c2ccccc2)nn1 ZINC000816556668 1136737061 /nfs/dbraw/zinc/73/70/61/1136737061.db2.gz RCDHSQDSVFHRKU-NSHDSACASA-N 1 2 346.793 3.616 20 10 EHCDLO COCC[N@H+](Cc1scnc1C)Cc1cc(Cl)c(F)cc1O ZINC000816593989 1136739498 /nfs/dbraw/zinc/73/94/98/1136739498.db2.gz LTMOGQYVJSZLIP-UHFFFAOYSA-N 1 2 344.839 3.598 20 10 EHCDLO COCC[N@@H+](Cc1scnc1C)Cc1cc(Cl)c(F)cc1O ZINC000816593989 1136739500 /nfs/dbraw/zinc/73/95/00/1136739500.db2.gz LTMOGQYVJSZLIP-UHFFFAOYSA-N 1 2 344.839 3.598 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000816642602 1136743732 /nfs/dbraw/zinc/74/37/32/1136743732.db2.gz FANQRSSQBZMAJO-UHFFFAOYSA-N 1 2 348.727 3.931 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cccc(Cl)c1O ZINC000817975154 1136854386 /nfs/dbraw/zinc/85/43/86/1136854386.db2.gz RDWPXSJPXZCTAA-ROUUACIJSA-N 1 2 330.859 3.973 20 10 EHCDLO CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(Cl)c1O ZINC000817981511 1136854942 /nfs/dbraw/zinc/85/49/42/1136854942.db2.gz SOAQNELBLWKNAF-NEPJUHHUSA-N 1 2 339.213 3.737 20 10 EHCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000824644092 1137145918 /nfs/dbraw/zinc/14/59/18/1137145918.db2.gz MUXIWMLZWKNQPF-NXEZZACHSA-N 1 2 346.830 3.576 20 10 EHCDLO COc1c(O)c(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000825104484 1137163627 /nfs/dbraw/zinc/16/36/27/1137163627.db2.gz XYYAOSXRGHJKCT-QGZVFWFLSA-N 1 2 344.367 3.629 20 10 EHCDLO COc1c(O)c(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000825104484 1137163628 /nfs/dbraw/zinc/16/36/28/1137163628.db2.gz XYYAOSXRGHJKCT-QGZVFWFLSA-N 1 2 344.367 3.629 20 10 EHCDLO C[N@H+](Cc1csc(C(C)(C)O)n1)Cc1ccc2ccccc2c1O ZINC000825158683 1137168280 /nfs/dbraw/zinc/16/82/80/1137168280.db2.gz WAUZQSQZWRWIHC-UHFFFAOYSA-N 1 2 342.464 3.861 20 10 EHCDLO C[N@@H+](Cc1csc(C(C)(C)O)n1)Cc1ccc2ccccc2c1O ZINC000825158683 1137168281 /nfs/dbraw/zinc/16/82/81/1137168281.db2.gz WAUZQSQZWRWIHC-UHFFFAOYSA-N 1 2 342.464 3.861 20 10 EHCDLO CCCCc1noc([C@H](C)[N@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844400035 1137217309 /nfs/dbraw/zinc/21/73/09/1137217309.db2.gz SWFAGGGUZXFTFS-HNNXBMFYSA-N 1 2 346.475 3.550 20 10 EHCDLO CCCCc1noc([C@H](C)[N@@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844400035 1137217310 /nfs/dbraw/zinc/21/73/10/1137217310.db2.gz SWFAGGGUZXFTFS-HNNXBMFYSA-N 1 2 346.475 3.550 20 10 EHCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)OCC23CCC3)c1 ZINC000846067410 1137332473 /nfs/dbraw/zinc/33/24/73/1137332473.db2.gz RSVZRPDXHZVCAS-GFCCVEGCSA-N 1 2 340.261 3.607 20 10 EHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)OCC23CCC3)c1 ZINC000846067410 1137332475 /nfs/dbraw/zinc/33/24/75/1137332475.db2.gz RSVZRPDXHZVCAS-GFCCVEGCSA-N 1 2 340.261 3.607 20 10 EHCDLO COc1cccc([C@H](C)[NH2+][C@H](C)c2noc(-c3ccccc3)n2)c1O ZINC000846148494 1137336153 /nfs/dbraw/zinc/33/61/53/1137336153.db2.gz FGVCNQMVLLYECT-QWHCGFSZSA-N 1 2 339.395 3.863 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)cc(F)c1O ZINC000846199965 1137341195 /nfs/dbraw/zinc/34/11/95/1137341195.db2.gz CMYUGJAYIOYZFU-ZLENFMNRSA-N 1 2 334.366 3.636 20 10 EHCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000873164886 1137591923 /nfs/dbraw/zinc/59/19/23/1137591923.db2.gz GHTPCUVGXAZDHU-UHFFFAOYSA-N 1 2 347.665 3.863 20 10 EHCDLO CC1(C)CCc2onc(C[NH2+]Cc3cc(Cl)c(F)cc3O)c2C1 ZINC000877810194 1137690686 /nfs/dbraw/zinc/69/06/86/1137690686.db2.gz QOCWBGDZWJGSPG-UHFFFAOYSA-N 1 2 338.810 3.977 20 10 EHCDLO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1c(O)cccc1F ZINC000886631677 1138104165 /nfs/dbraw/zinc/10/41/65/1138104165.db2.gz UBYWEJOFXJKQAZ-RHSMWYFYSA-N 1 2 339.414 3.899 20 10 EHCDLO Cn1c2ccccc2nc1CCC[NH2+]Cc1cccc(Cl)c1O ZINC000181346507 1139902119 /nfs/dbraw/zinc/90/21/19/1139902119.db2.gz MTDUBVPPUYSCKU-UHFFFAOYSA-N 1 2 329.831 3.655 20 10 EHCDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000185581133 1140156583 /nfs/dbraw/zinc/15/65/83/1140156583.db2.gz QTAISVXTKXYKOA-ZDUSSCGKSA-N 1 2 325.836 3.599 20 10 EHCDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000185581133 1140156585 /nfs/dbraw/zinc/15/65/85/1140156585.db2.gz QTAISVXTKXYKOA-ZDUSSCGKSA-N 1 2 325.836 3.599 20 10 EHCDLO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000186659926 1140215978 /nfs/dbraw/zinc/21/59/78/1140215978.db2.gz CQHHFLIRMCAEPO-AWEZNQCLSA-N 1 2 336.482 3.538 20 10 EHCDLO CCOc1ccc(O)c(C[N@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000186659926 1140215980 /nfs/dbraw/zinc/21/59/80/1140215980.db2.gz CQHHFLIRMCAEPO-AWEZNQCLSA-N 1 2 336.482 3.538 20 10 EHCDLO COc1cc(C)cc(C[NH2+][C@H](C)c2noc(-c3ccccc3)n2)c1O ZINC000894330922 1021683159 /nfs/dbraw/zinc/68/31/59/1021683159.db2.gz YLETXDKNCKBJMQ-CYBMUJFWSA-N 1 2 339.395 3.610 20 10 EHCDLO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000721837168 1025958326 /nfs/dbraw/zinc/95/83/26/1025958326.db2.gz LHOHAPBQINDLJW-GXTWGEPZSA-N 1 2 342.277 3.838 20 10 EHCDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cccc(F)c2O)c(C)c1 ZINC000272240574 1029377324 /nfs/dbraw/zinc/37/73/24/1029377324.db2.gz GORONYSSHDZOLW-UHFFFAOYSA-N 1 2 330.403 3.527 20 10 EHCDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cccc(F)c2O)c(C)c1 ZINC000272240574 1029377338 /nfs/dbraw/zinc/37/73/38/1029377338.db2.gz GORONYSSHDZOLW-UHFFFAOYSA-N 1 2 330.403 3.527 20 10 EHCDLO c1csc(SCCCNc2cc(N3CCCCC3)nc[nH+]2)n1 ZINC000156410478 1029839197 /nfs/dbraw/zinc/83/91/97/1029839197.db2.gz ONVWDQBDNOBEIY-UHFFFAOYSA-N 1 2 335.502 3.518 20 10 EHCDLO c1csc(SCCCNc2cc(N3CCCCC3)[nH+]cn2)n1 ZINC000156410478 1029839203 /nfs/dbraw/zinc/83/92/03/1029839203.db2.gz ONVWDQBDNOBEIY-UHFFFAOYSA-N 1 2 335.502 3.518 20 10 EHCDLO COC1(C[C@@H](C)[NH2+]Cc2cccc(Br)c2O)CCC1 ZINC000278340093 1030257782 /nfs/dbraw/zinc/25/77/82/1030257782.db2.gz HOKZBCTXHPUDLV-LLVKDONJSA-N 1 2 328.250 3.592 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000177208101 1034838558 /nfs/dbraw/zinc/83/85/58/1034838558.db2.gz LFEOLBWPMRJTPT-UHFFFAOYSA-N 1 2 339.222 3.929 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000177208101 1034838569 /nfs/dbraw/zinc/83/85/69/1034838569.db2.gz LFEOLBWPMRJTPT-UHFFFAOYSA-N 1 2 339.222 3.929 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]CCSCC(F)(F)F ZINC000698941506 1037316821 /nfs/dbraw/zinc/31/68/21/1037316821.db2.gz CMIXYSKUCLYEHD-UHFFFAOYSA-N 1 2 344.196 3.540 20 10 EHCDLO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756534572 1040158393 /nfs/dbraw/zinc/15/83/93/1040158393.db2.gz KEYQZVIQPDTBSL-QWRGUYRKSA-N 1 2 347.272 3.675 20 10 EHCDLO C[C@@H]1SCC[N@H+](Cc2cc(Br)cc(F)c2O)[C@H]1C ZINC001180198489 1133348471 /nfs/dbraw/zinc/34/84/71/1133348471.db2.gz BPNSUVZJNSWNSZ-IUCAKERBSA-N 1 2 334.254 3.620 20 10 EHCDLO C[C@@H]1SCC[N@@H+](Cc2cc(Br)cc(F)c2O)[C@H]1C ZINC001180198489 1133348477 /nfs/dbraw/zinc/34/84/77/1133348477.db2.gz BPNSUVZJNSWNSZ-IUCAKERBSA-N 1 2 334.254 3.620 20 10 EHCDLO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Br)cc(F)c1O ZINC000850571667 1136288772 /nfs/dbraw/zinc/28/87/72/1136288772.db2.gz SWNSWEDAEKCNIP-VHSXEESVSA-N 1 2 346.240 3.760 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282246976 1128129911 /nfs/dbraw/zinc/12/99/11/1128129911.db2.gz AYQPUCLXKXHYCO-OAHLLOKOSA-N 1 2 345.874 3.958 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282246976 1128129914 /nfs/dbraw/zinc/12/99/14/1128129914.db2.gz AYQPUCLXKXHYCO-OAHLLOKOSA-N 1 2 345.874 3.958 20 10 EHCDLO COc1ccc(O)c([C@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)c1 ZINC000186281119 1128372383 /nfs/dbraw/zinc/37/23/83/1128372383.db2.gz ZBVSSWBREKTGRD-AWEZNQCLSA-N 1 2 327.428 3.959 20 10 EHCDLO CCc1cc(C[N@@H+]2CCC[C@@H]2c2ncon2)c(O)c(C(C)(C)C)c1 ZINC000750020076 1128806341 /nfs/dbraw/zinc/80/63/41/1128806341.db2.gz WDRIYTYVEVPRRU-MRXNPFEDSA-N 1 2 329.444 3.972 20 10 EHCDLO CCc1cc(C[N@H+]2CCC[C@@H]2c2ncon2)c(O)c(C(C)(C)C)c1 ZINC000750020076 1128806348 /nfs/dbraw/zinc/80/63/48/1128806348.db2.gz WDRIYTYVEVPRRU-MRXNPFEDSA-N 1 2 329.444 3.972 20 10 EHCDLO C[C@H](COc1cccc(F)c1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001648898792 1120063250 /nfs/dbraw/zinc/06/32/50/1120063250.db2.gz YEBSFJKMCJPGOO-SNVBAGLBSA-N 1 2 327.758 3.881 20 10 EHCDLO Cc1cncc(Br)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001235650660 1121656548 /nfs/dbraw/zinc/65/65/48/1121656548.db2.gz OLIYBTSOZFYDFI-UHFFFAOYSA-N 1 2 348.288 3.851 20 10 EHCDLO Cc1cncc(Br)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001235650660 1121656552 /nfs/dbraw/zinc/65/65/52/1121656552.db2.gz OLIYBTSOZFYDFI-UHFFFAOYSA-N 1 2 348.288 3.851 20 10 EHCDLO CO[C@@](C)(C[NH2+]Cc1cccc(Cl)c1O)COCc1ccccc1 ZINC000702771523 1130248689 /nfs/dbraw/zinc/24/86/89/1130248689.db2.gz SSOZVLIMQDURGR-IBGZPJMESA-N 1 2 349.858 3.757 20 10 EHCDLO Cc1cc(NCc2ccc(N3CCSCC3)cc2)nc(C2CC2)[nH+]1 ZINC000731905277 1130860530 /nfs/dbraw/zinc/86/05/30/1130860530.db2.gz YTDIYYYBBSLEEF-UHFFFAOYSA-N 1 2 340.496 3.828 20 10 EHCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000769333096 1133263399 /nfs/dbraw/zinc/26/33/99/1133263399.db2.gz NYGCTZGLMXWGES-GOSISDBHSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000769333096 1133263402 /nfs/dbraw/zinc/26/34/02/1133263402.db2.gz NYGCTZGLMXWGES-GOSISDBHSA-N 1 2 333.815 3.628 20 10 EHCDLO CCCN(CCC)c1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 ZINC000769467806 1133296571 /nfs/dbraw/zinc/29/65/71/1133296571.db2.gz ZDFLTWKINJPUMQ-DGGJZMOXSA-N 1 2 336.545 3.654 20 10 EHCDLO CCCN(CCC)c1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 ZINC000769467806 1133296574 /nfs/dbraw/zinc/29/65/74/1133296574.db2.gz ZDFLTWKINJPUMQ-DGGJZMOXSA-N 1 2 336.545 3.654 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000773843666 1133350249 /nfs/dbraw/zinc/35/02/49/1133350249.db2.gz BPEZPJTWDLYUBY-FQEVSTJZSA-N 1 2 346.421 3.994 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000773843666 1133350254 /nfs/dbraw/zinc/35/02/54/1133350254.db2.gz BPEZPJTWDLYUBY-FQEVSTJZSA-N 1 2 346.421 3.994 20 10 EHCDLO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000775152605 1134398263 /nfs/dbraw/zinc/39/82/63/1134398263.db2.gz NPZKYJYIEBVFJW-SWLSCSKDSA-N 1 2 342.277 3.696 20 10 EHCDLO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc(Br)c1O ZINC000775153230 1134401128 /nfs/dbraw/zinc/40/11/28/1134401128.db2.gz RYEQDFCHXMXDKS-UHFFFAOYSA-N 1 2 342.620 3.804 20 10 EHCDLO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000793607080 1134969092 /nfs/dbraw/zinc/96/90/92/1134969092.db2.gz AOPIHJHVUFAISG-CJNGLKHVSA-N 1 2 347.842 3.556 20 10 EHCDLO COc1ccc2c(c1)CCC[N@H+]2CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000775566341 1135100790 /nfs/dbraw/zinc/10/07/90/1135100790.db2.gz VREUQWMQQHPECQ-UHFFFAOYSA-N 1 2 344.499 3.733 20 10 EHCDLO COc1ccc2c(c1)CCC[N@@H+]2CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000775566341 1135100792 /nfs/dbraw/zinc/10/07/92/1135100792.db2.gz VREUQWMQQHPECQ-UHFFFAOYSA-N 1 2 344.499 3.733 20 10 EHCDLO CC[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1cccc(Cl)c1O ZINC000806131852 1135388148 /nfs/dbraw/zinc/38/81/48/1135388148.db2.gz NTBAVBAROJHEBC-CYBMUJFWSA-N 1 2 338.801 3.971 20 10 EHCDLO CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1cccc(Cl)c1O ZINC000806160944 1135403961 /nfs/dbraw/zinc/40/39/61/1135403961.db2.gz MEWVXZFTBSRJPP-QAPCUYQASA-N 1 2 333.859 3.998 20 10 EHCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(Br)cc1)CCC2 ZINC001203912061 1135841177 /nfs/dbraw/zinc/84/11/77/1135841177.db2.gz VGNOPZKZGWFRLQ-UHFFFAOYSA-N 1 2 348.240 3.809 20 10 EHCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(Br)cc1)CCC2 ZINC001203912061 1135841180 /nfs/dbraw/zinc/84/11/80/1135841180.db2.gz VGNOPZKZGWFRLQ-UHFFFAOYSA-N 1 2 348.240 3.809 20 10 EHCDLO COc1c(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000809782757 1135891000 /nfs/dbraw/zinc/89/10/00/1135891000.db2.gz GJPIDRSXPKVTEJ-INIZCTEOSA-N 1 2 348.424 3.954 20 10 EHCDLO COc1c(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000809782757 1135891003 /nfs/dbraw/zinc/89/10/03/1135891003.db2.gz GJPIDRSXPKVTEJ-INIZCTEOSA-N 1 2 348.424 3.954 20 10 EHCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(N2CCOC2=O)cc1 ZINC000776061094 1135947089 /nfs/dbraw/zinc/94/70/89/1135947089.db2.gz ADLIUFNMBLJDGY-GFCCVEGCSA-N 1 2 346.814 3.853 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000812773127 1136245289 /nfs/dbraw/zinc/24/52/89/1136245289.db2.gz XTYMDDZVPJXTKK-CYBMUJFWSA-N 1 2 334.822 3.801 20 10 EHCDLO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Br)cc(F)c1O ZINC000850525727 1136278124 /nfs/dbraw/zinc/27/81/24/1136278124.db2.gz QBXLOIMUOSKLGN-ONGXEEELSA-N 1 2 344.224 3.656 20 10 EHCDLO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Br)cc(F)c1O ZINC000850571666 1136288894 /nfs/dbraw/zinc/28/88/94/1136288894.db2.gz SWNSWEDAEKCNIP-UWVGGRQHSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Br)cc(F)c1O ZINC000850571665 1136289206 /nfs/dbraw/zinc/28/92/06/1136289206.db2.gz SWNSWEDAEKCNIP-NXEZZACHSA-N 1 2 346.240 3.760 20 10 EHCDLO CCN(C)c1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000815124249 1136554147 /nfs/dbraw/zinc/55/41/47/1136554147.db2.gz ZTTCIFRGLQUPKY-GFCCVEGCSA-N 1 2 349.276 3.546 20 10 EHCDLO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000815588408 1136615091 /nfs/dbraw/zinc/61/50/91/1136615091.db2.gz NMHDBORATKKCTD-QUCCMNQESA-N 1 2 347.462 3.936 20 10 EHCDLO COc1ccccc1OCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816547547 1136732121 /nfs/dbraw/zinc/73/21/21/1136732121.db2.gz ZXRDZYDUFOJDPR-UHFFFAOYSA-N 1 2 339.794 3.752 20 10 EHCDLO CC[C@@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1cccc(Cl)c1O ZINC000817588108 1136826706 /nfs/dbraw/zinc/82/67/06/1136826706.db2.gz LWAWCMZMQOGGHT-IUODEOHRSA-N 1 2 327.852 3.670 20 10 EHCDLO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Br)cc(F)c1O ZINC000857080535 1136842798 /nfs/dbraw/zinc/84/27/98/1136842798.db2.gz ICTUMTYXAYVJHE-JGVFFNPUSA-N 1 2 338.167 3.990 20 10 EHCDLO C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817950835 1136850359 /nfs/dbraw/zinc/85/03/59/1136850359.db2.gz ZWYLMXIGDRYSBN-MWLCHTKSSA-N 1 2 347.684 3.601 20 10 EHCDLO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(Cl)c3O)C2)cc1 ZINC000822494942 1137063000 /nfs/dbraw/zinc/06/30/00/1137063000.db2.gz ZIKJOHPTDFIQPR-CQSZACIVSA-N 1 2 346.858 3.670 20 10 EHCDLO COc1ccc(N2CCC[N@H+](Cc3ccnc(Cl)c3F)CC2)cc1 ZINC000823418548 1137100816 /nfs/dbraw/zinc/10/08/16/1137100816.db2.gz HEEZZZCGKQWICZ-UHFFFAOYSA-N 1 2 349.837 3.595 20 10 EHCDLO COc1ccc(N2CCC[N@@H+](Cc3ccnc(Cl)c3F)CC2)cc1 ZINC000823418548 1137100817 /nfs/dbraw/zinc/10/08/17/1137100817.db2.gz HEEZZZCGKQWICZ-UHFFFAOYSA-N 1 2 349.837 3.595 20 10 EHCDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(F)c(N(C)C)cc1F)n2C ZINC000862327606 1137138503 /nfs/dbraw/zinc/13/85/03/1137138503.db2.gz FEYQXUCSHRHHBH-UHFFFAOYSA-N 1 2 344.409 3.516 20 10 EHCDLO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1n1cccn1 ZINC000825117424 1137166094 /nfs/dbraw/zinc/16/60/94/1137166094.db2.gz CWRUWVMHXZPZDB-OAGGEKHMSA-N 1 2 349.862 3.529 20 10 EHCDLO Oc1c(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)ccc(F)c1F ZINC000876978779 1137666863 /nfs/dbraw/zinc/66/68/63/1137666863.db2.gz OWHRQXQJNHSGEU-RDJZCZTQSA-N 1 2 337.341 3.819 20 10 EHCDLO OC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1cccc(C(F)(F)F)c1 ZINC000877664520 1137684857 /nfs/dbraw/zinc/68/48/57/1137684857.db2.gz SMDJKLRKKDALCP-CYBMUJFWSA-N 1 2 347.283 3.512 20 10 EHCDLO CC1(c2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2)OCCO1 ZINC000877667702 1137685010 /nfs/dbraw/zinc/68/50/10/1137685010.db2.gz JJBVNYXLGLAUID-UHFFFAOYSA-N 1 2 333.815 3.555 20 10 EHCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000877825545 1137692350 /nfs/dbraw/zinc/69/23/50/1137692350.db2.gz VOGPXUWUXDPWDB-HNNXBMFYSA-N 1 2 346.814 3.503 20 10 EHCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000877825545 1137692351 /nfs/dbraw/zinc/69/23/51/1137692351.db2.gz VOGPXUWUXDPWDB-HNNXBMFYSA-N 1 2 346.814 3.503 20 10 EHCDLO CN(C)c1ccc(C[N@H+](Cc2nc3c(o2)CCCC3)C2CC2)cc1 ZINC000877977094 1137697920 /nfs/dbraw/zinc/69/79/20/1137697920.db2.gz MHZYFVIQHGFSAC-UHFFFAOYSA-N 1 2 325.456 3.784 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](Cc2nc3c(o2)CCCC3)C2CC2)cc1 ZINC000877977094 1137697921 /nfs/dbraw/zinc/69/79/21/1137697921.db2.gz MHZYFVIQHGFSAC-UHFFFAOYSA-N 1 2 325.456 3.784 20 10 EHCDLO CCc1ncc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)o1 ZINC000883136940 1137846049 /nfs/dbraw/zinc/84/60/49/1137846049.db2.gz SDWNWVNTGYCCHR-UHFFFAOYSA-N 1 2 345.624 3.648 20 10 EHCDLO C[C@H]([NH2+]CCc1ccns1)c1cc(Br)c(F)cc1O ZINC000883247564 1137850352 /nfs/dbraw/zinc/85/03/52/1137850352.db2.gz ORMSDUIPVAPJAU-QMMMGPOBSA-N 1 2 345.237 3.644 20 10 EHCDLO Cc1nnc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1C ZINC000179647585 1139771623 /nfs/dbraw/zinc/77/16/23/1139771623.db2.gz NHXOJXODEVEZGB-OAHLLOKOSA-N 1 2 336.439 3.593 20 10 EHCDLO Cc1nnc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1C ZINC000179647585 1139771629 /nfs/dbraw/zinc/77/16/29/1139771629.db2.gz NHXOJXODEVEZGB-OAHLLOKOSA-N 1 2 336.439 3.593 20 10 EHCDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(Cl)c1O ZINC000183373578 1140033640 /nfs/dbraw/zinc/03/36/40/1140033640.db2.gz UWWFHCUVPCXJQC-UHFFFAOYSA-N 1 2 348.830 3.515 20 10 EHCDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(Cl)c1O ZINC000183373578 1140033646 /nfs/dbraw/zinc/03/36/46/1140033646.db2.gz UWWFHCUVPCXJQC-UHFFFAOYSA-N 1 2 348.830 3.515 20 10 EHCDLO COc1ccc(O)c(C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000191580165 1140473043 /nfs/dbraw/zinc/47/30/43/1140473043.db2.gz GAZMLAISVFTPFV-GFCCVEGCSA-N 1 2 331.416 3.682 20 10 EHCDLO CCOCc1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)ccc1OC ZINC000268161022 1140894605 /nfs/dbraw/zinc/89/46/05/1140894605.db2.gz DKPBIKJKABRSEE-UHFFFAOYSA-N 1 2 349.500 3.671 20 10 EHCDLO CC(C)([NH2+]Cc1cccc(Cl)c1O)c1cn(-c2ccccc2)nn1 ZINC000182647161 1032114633 /nfs/dbraw/zinc/11/46/33/1032114633.db2.gz DSXMAPLTDNWFTA-UHFFFAOYSA-N 1 2 342.830 3.651 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H](C)C(F)(F)F)C1 ZINC001208906413 1015573857 /nfs/dbraw/zinc/57/38/57/1015573857.db2.gz WFVJWVGHZJATMZ-LLVKDONJSA-N 1 2 326.362 3.743 20 10 EHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@@H](C)C(F)(F)F)C1 ZINC001208906413 1015573860 /nfs/dbraw/zinc/57/38/60/1015573860.db2.gz WFVJWVGHZJATMZ-LLVKDONJSA-N 1 2 326.362 3.743 20 10 EHCDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cs1 ZINC000172393948 1032660614 /nfs/dbraw/zinc/66/06/14/1032660614.db2.gz NAEICGPXNPTTJY-AWEZNQCLSA-N 1 2 333.501 3.939 20 10 EHCDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cs1 ZINC000172393948 1032660625 /nfs/dbraw/zinc/66/06/25/1032660625.db2.gz NAEICGPXNPTTJY-AWEZNQCLSA-N 1 2 333.501 3.939 20 10 EHCDLO COC1CCC([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000840793384 1026309864 /nfs/dbraw/zinc/30/98/64/1026309864.db2.gz ZEOHVFYYCXVIIS-WHXUTIOJSA-N 1 2 346.240 3.902 20 10 EHCDLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1ccccc1O ZINC000302674962 1027231649 /nfs/dbraw/zinc/23/16/49/1027231649.db2.gz UAAOHXZPLCSXMM-UHFFFAOYSA-N 1 2 336.391 3.754 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000271864547 1029206367 /nfs/dbraw/zinc/20/63/67/1029206367.db2.gz VRVMSUOPWKZHAW-ZDUSSCGKSA-N 1 2 327.877 3.580 20 10 EHCDLO COC[C@H]([NH2+]Cc1cccc(Br)c1O)c1ccc(C)o1 ZINC000177567891 1035236302 /nfs/dbraw/zinc/23/63/02/1035236302.db2.gz CVJJWECWUHQWMR-ZDUSSCGKSA-N 1 2 340.217 3.533 20 10 EHCDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cn(-c2ccccc2)nn1 ZINC000186112888 1035585385 /nfs/dbraw/zinc/58/53/85/1035585385.db2.gz ICHBAFKGVAPYSU-CHWSQXEVSA-N 1 2 326.375 3.524 20 10 EHCDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000894070069 1040046418 /nfs/dbraw/zinc/04/64/18/1040046418.db2.gz DIUUUHMDCCAAFF-UHFFFAOYSA-N 1 2 331.362 3.692 20 10 EHCDLO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756534573 1040157186 /nfs/dbraw/zinc/15/71/86/1040157186.db2.gz KEYQZVIQPDTBSL-WDEREUQCSA-N 1 2 347.272 3.675 20 10 EHCDLO C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cc(F)cc(F)c1O ZINC000765820469 1128469256 /nfs/dbraw/zinc/46/92/56/1128469256.db2.gz XZHXFMPTMJNEEB-BTDLBPIBSA-N 1 2 341.785 3.882 20 10 EHCDLO CCc1cc(C[N@@H+]2CCC[C@H]2c2ncon2)c(O)c(C(C)(C)C)c1 ZINC000750020075 1128806457 /nfs/dbraw/zinc/80/64/57/1128806457.db2.gz WDRIYTYVEVPRRU-INIZCTEOSA-N 1 2 329.444 3.972 20 10 EHCDLO CCc1cc(C[N@H+]2CCC[C@H]2c2ncon2)c(O)c(C(C)(C)C)c1 ZINC000750020075 1128806462 /nfs/dbraw/zinc/80/64/62/1128806462.db2.gz WDRIYTYVEVPRRU-INIZCTEOSA-N 1 2 329.444 3.972 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000715726394 1128959762 /nfs/dbraw/zinc/95/97/62/1128959762.db2.gz UIPPCRBQVMDIGG-GHMZBOCLSA-N 1 2 328.225 3.916 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1 ZINC001174770247 1132459966 /nfs/dbraw/zinc/45/99/66/1132459966.db2.gz CJYNWLIUYHKNDA-XJKSGUPXSA-N 1 2 330.394 3.684 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1 ZINC001174770247 1132459968 /nfs/dbraw/zinc/45/99/68/1132459968.db2.gz CJYNWLIUYHKNDA-XJKSGUPXSA-N 1 2 330.394 3.684 20 10 EHCDLO CN(C)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1F ZINC001177548290 1133080871 /nfs/dbraw/zinc/08/08/71/1133080871.db2.gz CWBMVGOGTFCTMR-UHFFFAOYSA-N 1 2 326.774 3.680 20 10 EHCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC001177641804 1133089471 /nfs/dbraw/zinc/08/94/71/1133089471.db2.gz NDQWHEYYWKPMAG-IBGZPJMESA-N 1 2 346.421 3.987 20 10 EHCDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000768529933 1133150504 /nfs/dbraw/zinc/15/05/04/1133150504.db2.gz WGSKOHJSCYGBMO-GFCCVEGCSA-N 1 2 343.826 3.738 20 10 EHCDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000768529933 1133150507 /nfs/dbraw/zinc/15/05/07/1133150507.db2.gz WGSKOHJSCYGBMO-GFCCVEGCSA-N 1 2 343.826 3.738 20 10 EHCDLO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c(N2CCCC2)n1 ZINC001178457981 1133170986 /nfs/dbraw/zinc/17/09/86/1133170986.db2.gz JVTQRCJKULZGSI-UHFFFAOYSA-N 1 2 349.837 3.778 20 10 EHCDLO Oc1ccc(Cl)cc1C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000769327950 1133262559 /nfs/dbraw/zinc/26/25/59/1133262559.db2.gz ORUHPPBQBYBSOG-UHFFFAOYSA-N 1 2 327.815 3.971 20 10 EHCDLO Oc1ccc(Cl)cc1C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000769327950 1133262564 /nfs/dbraw/zinc/26/25/64/1133262564.db2.gz ORUHPPBQBYBSOG-UHFFFAOYSA-N 1 2 327.815 3.971 20 10 EHCDLO CN(C)c1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1F ZINC000769396302 1133286725 /nfs/dbraw/zinc/28/67/25/1133286725.db2.gz ZJLPZHIBGLRZIK-UHFFFAOYSA-N 1 2 333.476 3.859 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1F ZINC000769396302 1133286730 /nfs/dbraw/zinc/28/67/30/1133286730.db2.gz ZJLPZHIBGLRZIK-UHFFFAOYSA-N 1 2 333.476 3.859 20 10 EHCDLO C[C@H]1[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1(C)C ZINC000769450979 1133292515 /nfs/dbraw/zinc/29/25/15/1133292515.db2.gz FFQKHSJGLVZXMA-OAHLLOKOSA-N 1 2 347.459 3.584 20 10 EHCDLO C[C@H]1[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1(C)C ZINC000769450979 1133292516 /nfs/dbraw/zinc/29/25/16/1133292516.db2.gz FFQKHSJGLVZXMA-OAHLLOKOSA-N 1 2 347.459 3.584 20 10 EHCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000769799448 1133348135 /nfs/dbraw/zinc/34/81/35/1133348135.db2.gz WRGWODOCGNPCAN-HNNXBMFYSA-N 1 2 343.477 3.687 20 10 EHCDLO Oc1ccc2ccncc2c1C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000769799448 1133348141 /nfs/dbraw/zinc/34/81/41/1133348141.db2.gz WRGWODOCGNPCAN-HNNXBMFYSA-N 1 2 343.477 3.687 20 10 EHCDLO COc1c(O)c(C[N@@H+]2CCc3cc(Cl)ccc3C2)ccc1[N+](=O)[O-] ZINC000775111142 1134323447 /nfs/dbraw/zinc/32/34/47/1134323447.db2.gz LJLXAMLRAIGCSG-UHFFFAOYSA-N 1 2 348.786 3.521 20 10 EHCDLO COc1c(O)c(C[N@H+]2CCc3cc(Cl)ccc3C2)ccc1[N+](=O)[O-] ZINC000775111142 1134323454 /nfs/dbraw/zinc/32/34/54/1134323454.db2.gz LJLXAMLRAIGCSG-UHFFFAOYSA-N 1 2 348.786 3.521 20 10 EHCDLO COc1cc(C[N@H+](C)Cc2c(O)ccc(Cl)c2F)cc(OC)c1 ZINC000792163410 1134660294 /nfs/dbraw/zinc/66/02/94/1134660294.db2.gz YZVNKRBSFSHFFW-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO Cc1cc(C[N@@H+](C)Cc2nncn2C(C)C)c(O)c(C(C)(C)C)c1 ZINC000793809185 1134992227 /nfs/dbraw/zinc/99/22/27/1134992227.db2.gz ITDNKDJWUYZVAZ-UHFFFAOYSA-N 1 2 330.476 3.803 20 10 EHCDLO Cc1cc(C[N@H+](C)Cc2nncn2C(C)C)c(O)c(C(C)(C)C)c1 ZINC000793809185 1134992232 /nfs/dbraw/zinc/99/22/32/1134992232.db2.gz ITDNKDJWUYZVAZ-UHFFFAOYSA-N 1 2 330.476 3.803 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cccc(Cl)c1O ZINC000806133731 1135389417 /nfs/dbraw/zinc/38/94/17/1135389417.db2.gz CTRKWXXZQIVYCH-SUMWQHHRSA-N 1 2 346.858 3.791 20 10 EHCDLO CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc(Cl)c1O ZINC000806137780 1135390187 /nfs/dbraw/zinc/39/01/87/1135390187.db2.gz NWYVWKRYBBDTLP-QGZVFWFLSA-N 1 2 342.830 3.867 20 10 EHCDLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775650759 1135416402 /nfs/dbraw/zinc/41/64/02/1135416402.db2.gz FOLXERUMIULXQQ-CQSZACIVSA-N 1 2 347.842 3.857 20 10 EHCDLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775650759 1135416405 /nfs/dbraw/zinc/41/64/05/1135416405.db2.gz FOLXERUMIULXQQ-CQSZACIVSA-N 1 2 347.842 3.857 20 10 EHCDLO Cc1cc(C[N@H+](C)Cc2nnc3ccccn32)ccc1N1CCCCC1 ZINC000828006242 1135551228 /nfs/dbraw/zinc/55/12/28/1135551228.db2.gz KHZDBORYKWXDFE-UHFFFAOYSA-N 1 2 349.482 3.660 20 10 EHCDLO Cc1cc(C[N@@H+](C)Cc2nnc3ccccn32)ccc1N1CCCCC1 ZINC000828006242 1135551232 /nfs/dbraw/zinc/55/12/32/1135551232.db2.gz KHZDBORYKWXDFE-UHFFFAOYSA-N 1 2 349.482 3.660 20 10 EHCDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000775738226 1135599351 /nfs/dbraw/zinc/59/93/51/1135599351.db2.gz WRGSVWCDXSODGX-ZDUSSCGKSA-N 1 2 339.863 3.989 20 10 EHCDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000775738226 1135599355 /nfs/dbraw/zinc/59/93/55/1135599355.db2.gz WRGSVWCDXSODGX-ZDUSSCGKSA-N 1 2 339.863 3.989 20 10 EHCDLO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000809644459 1135864941 /nfs/dbraw/zinc/86/49/41/1135864941.db2.gz ZSDOMZCNELMCKW-INIZCTEOSA-N 1 2 337.822 3.958 20 10 EHCDLO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000809644459 1135864945 /nfs/dbraw/zinc/86/49/45/1135864945.db2.gz ZSDOMZCNELMCKW-INIZCTEOSA-N 1 2 337.822 3.958 20 10 EHCDLO CCCC[N@H+](Cc1ncc(CN(C)C)s1)Cc1ccccc1O ZINC000809662859 1135870303 /nfs/dbraw/zinc/87/03/03/1135870303.db2.gz GKWHZVAFTIXNSK-UHFFFAOYSA-N 1 2 333.501 3.713 20 10 EHCDLO CCCC[N@@H+](Cc1ncc(CN(C)C)s1)Cc1ccccc1O ZINC000809662859 1135870305 /nfs/dbraw/zinc/87/03/05/1135870305.db2.gz GKWHZVAFTIXNSK-UHFFFAOYSA-N 1 2 333.501 3.713 20 10 EHCDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001199109828 1135882849 /nfs/dbraw/zinc/88/28/49/1135882849.db2.gz JMFGVTXJDXBNTD-JTQLQIEISA-N 1 2 336.794 3.994 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000776097009 1135955014 /nfs/dbraw/zinc/95/50/14/1135955014.db2.gz DRJMDEZDZHZWDC-UHFFFAOYSA-N 1 2 340.206 3.760 20 10 EHCDLO Cn1c(C[NH2+]Cc2cc(Cl)cc(F)c2O)nc2cc(F)ccc21 ZINC000776213821 1136066848 /nfs/dbraw/zinc/06/68/48/1136066848.db2.gz GSZJMUQRMMAEKP-UHFFFAOYSA-N 1 2 337.757 3.500 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000776250241 1136101426 /nfs/dbraw/zinc/10/14/26/1136101426.db2.gz FJUPTHKGXAOEMD-UHFFFAOYSA-N 1 2 335.762 3.692 20 10 EHCDLO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000775151574 1136438337 /nfs/dbraw/zinc/43/83/37/1136438337.db2.gz IONJMGYCLXPKCD-DGCLKSJQSA-N 1 2 330.291 3.774 20 10 EHCDLO Cc1nnc(C[N@@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)s1 ZINC000853617806 1136549629 /nfs/dbraw/zinc/54/96/29/1136549629.db2.gz PACLGJDPZAMFLM-UHFFFAOYSA-N 1 2 343.452 3.809 20 10 EHCDLO Cc1nnc(C[N@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)s1 ZINC000853617806 1136549633 /nfs/dbraw/zinc/54/96/33/1136549633.db2.gz PACLGJDPZAMFLM-UHFFFAOYSA-N 1 2 343.452 3.809 20 10 EHCDLO CC[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1cc(Cl)ccc1O ZINC000815657549 1136622750 /nfs/dbraw/zinc/62/27/50/1136622750.db2.gz BJVIYBICGUUFTF-INIZCTEOSA-N 1 2 342.830 3.867 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000816491466 1136724325 /nfs/dbraw/zinc/72/43/25/1136724325.db2.gz MUIFZNAIKMHKLI-JTQLQIEISA-N 1 2 341.732 3.728 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000816551767 1136735892 /nfs/dbraw/zinc/73/58/92/1136735892.db2.gz OCVMPMIYIJHFOH-CQSZACIVSA-N 1 2 334.822 3.943 20 10 EHCDLO C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817950833 1136850630 /nfs/dbraw/zinc/85/06/30/1136850630.db2.gz ZWYLMXIGDRYSBN-GXSJLCMTSA-N 1 2 347.684 3.601 20 10 EHCDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000818344922 1136873081 /nfs/dbraw/zinc/87/30/81/1136873081.db2.gz QUERFLQHHRNJTJ-AWEZNQCLSA-N 1 2 345.466 3.587 20 10 EHCDLO CN(C)c1cc(F)c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1F ZINC000862249128 1137134714 /nfs/dbraw/zinc/13/47/14/1137134714.db2.gz WYZKEFQRBHQCEC-UHFFFAOYSA-N 1 2 342.393 3.507 20 10 EHCDLO COCc1cc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)no1 ZINC000862528554 1137147928 /nfs/dbraw/zinc/14/79/28/1137147928.db2.gz ZQTGNMIPEJRTMZ-UHFFFAOYSA-N 1 2 325.412 3.518 20 10 EHCDLO Cc1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1-c1ccccc1 ZINC000863164048 1137172164 /nfs/dbraw/zinc/17/21/64/1137172164.db2.gz YBRRRZHDGLIMCP-OAHLLOKOSA-N 1 2 336.439 3.558 20 10 EHCDLO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000863547899 1137191707 /nfs/dbraw/zinc/19/17/07/1137191707.db2.gz SCBXMHZEYKNMDS-KKZNHRDASA-N 1 2 347.684 3.599 20 10 EHCDLO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000846204234 1137339175 /nfs/dbraw/zinc/33/91/75/1137339175.db2.gz XIMLAOXKNCSHJL-OWYVNGRQSA-N 1 2 346.240 3.902 20 10 EHCDLO Oc1c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)ccc(F)c1F ZINC000876770088 1137660817 /nfs/dbraw/zinc/66/08/17/1137660817.db2.gz IKVJUAVVCKNQTL-OAHLLOKOSA-N 1 2 333.378 3.709 20 10 EHCDLO Oc1c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)ccc(F)c1F ZINC000876770088 1137660818 /nfs/dbraw/zinc/66/08/18/1137660818.db2.gz IKVJUAVVCKNQTL-OAHLLOKOSA-N 1 2 333.378 3.709 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672669 1137685222 /nfs/dbraw/zinc/68/52/22/1137685222.db2.gz KDWTZJNXYCIELX-CJNGLKHVSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672669 1137685223 /nfs/dbraw/zinc/68/52/23/1137685223.db2.gz KDWTZJNXYCIELX-CJNGLKHVSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877673761 1137685442 /nfs/dbraw/zinc/68/54/42/1137685442.db2.gz RECFUFAJWAVDNX-RHSMWYFYSA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877673761 1137685443 /nfs/dbraw/zinc/68/54/43/1137685443.db2.gz RECFUFAJWAVDNX-RHSMWYFYSA-N 1 2 335.806 3.883 20 10 EHCDLO C[C@@H]([NH2+]CCc1ccns1)c1cc(Br)cc(F)c1O ZINC000883247830 1137850336 /nfs/dbraw/zinc/85/03/36/1137850336.db2.gz YBXCABIXSPWXAH-MRVPVSSYSA-N 1 2 345.237 3.644 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1cccc(Cl)c1O ZINC000883361628 1137857479 /nfs/dbraw/zinc/85/74/79/1137857479.db2.gz HYXIKTHWBXNSIG-ZJUUUORDSA-N 1 2 347.711 3.645 20 10 EHCDLO C[N@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000191150254 1140440258 /nfs/dbraw/zinc/44/02/58/1140440258.db2.gz LHBNPUFVUKCWMP-UHFFFAOYSA-N 1 2 341.503 3.655 20 10 EHCDLO C[N@@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000191150254 1140440263 /nfs/dbraw/zinc/44/02/63/1140440263.db2.gz LHBNPUFVUKCWMP-UHFFFAOYSA-N 1 2 341.503 3.655 20 10 EHCDLO CC(C)(C)c1coc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000891467112 1021707582 /nfs/dbraw/zinc/70/75/82/1021707582.db2.gz CYBQTMMIPCVADS-INIZCTEOSA-N 1 2 344.455 3.859 20 10 EHCDLO CC(C)(C)c1coc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000891467112 1021707597 /nfs/dbraw/zinc/70/75/97/1021707597.db2.gz CYBQTMMIPCVADS-INIZCTEOSA-N 1 2 344.455 3.859 20 10 EHCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000895313440 1024280010 /nfs/dbraw/zinc/28/00/10/1024280010.db2.gz BYBYUWBAFKOESP-KRWDZBQOSA-N 1 2 335.350 3.617 20 10 EHCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000895313440 1024280020 /nfs/dbraw/zinc/28/00/20/1024280020.db2.gz BYBYUWBAFKOESP-KRWDZBQOSA-N 1 2 335.350 3.617 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000896424087 1025436010 /nfs/dbraw/zinc/43/60/10/1025436010.db2.gz XRLSLCHEESLEOA-XJKSGUPXSA-N 1 2 325.742 3.746 20 10 EHCDLO CCc1nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000111233067 1026240856 /nfs/dbraw/zinc/24/08/56/1026240856.db2.gz TVZYORKCHZUTDZ-MRXNPFEDSA-N 1 2 332.469 3.592 20 10 EHCDLO CCc1nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000111233067 1026240869 /nfs/dbraw/zinc/24/08/69/1026240869.db2.gz TVZYORKCHZUTDZ-MRXNPFEDSA-N 1 2 332.469 3.592 20 10 EHCDLO CCCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708075050 1026698580 /nfs/dbraw/zinc/69/85/80/1026698580.db2.gz IENMXVNLWZUVKP-GFCCVEGCSA-N 1 2 348.668 3.809 20 10 EHCDLO CCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708075050 1026698588 /nfs/dbraw/zinc/69/85/88/1026698588.db2.gz IENMXVNLWZUVKP-GFCCVEGCSA-N 1 2 348.668 3.809 20 10 EHCDLO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000897521474 1028162287 /nfs/dbraw/zinc/16/22/87/1028162287.db2.gz GWCHWEVJZWUIQO-CYBMUJFWSA-N 1 2 343.748 3.758 20 10 EHCDLO CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1O ZINC000092973802 1030538097 /nfs/dbraw/zinc/53/80/97/1030538097.db2.gz UNESZUSDEXWQOB-SFHVURJKSA-N 1 2 349.377 3.643 20 10 EHCDLO CCOc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1O ZINC000092973802 1030538104 /nfs/dbraw/zinc/53/81/04/1030538104.db2.gz UNESZUSDEXWQOB-SFHVURJKSA-N 1 2 349.377 3.643 20 10 EHCDLO CCc1nnc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)[nH]1 ZINC000160174344 1030572301 /nfs/dbraw/zinc/57/23/01/1030572301.db2.gz QCNSSGUXDMQONS-HNNXBMFYSA-N 1 2 336.439 3.836 20 10 EHCDLO CCc1nnc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)[nH]1 ZINC000160174344 1030572315 /nfs/dbraw/zinc/57/23/15/1030572315.db2.gz QCNSSGUXDMQONS-HNNXBMFYSA-N 1 2 336.439 3.836 20 10 EHCDLO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Br)cc(F)c1O ZINC000527925293 1031417768 /nfs/dbraw/zinc/41/77/68/1031417768.db2.gz IWSKSCBSTNNPPG-QWRGUYRKSA-N 1 2 346.240 3.761 20 10 EHCDLO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)cc1O ZINC000898218447 1033372478 /nfs/dbraw/zinc/37/24/78/1033372478.db2.gz HHVQBOQVCPBOSA-GFCCVEGCSA-N 1 2 335.831 3.871 20 10 EHCDLO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2cccc(Cl)c2O)CCO1 ZINC000898218666 1033376185 /nfs/dbraw/zinc/37/61/85/1033376185.db2.gz MLRAPOPLKCBHDC-CQSZACIVSA-N 1 2 346.858 3.561 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000177267090 1034926845 /nfs/dbraw/zinc/92/68/45/1034926845.db2.gz HWAOWCUZCDJMKZ-BFUOFWGJSA-N 1 2 343.398 3.696 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000177267090 1034926852 /nfs/dbraw/zinc/92/68/52/1034926852.db2.gz HWAOWCUZCDJMKZ-BFUOFWGJSA-N 1 2 343.398 3.696 20 10 EHCDLO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072703 1035268907 /nfs/dbraw/zinc/26/89/07/1035268907.db2.gz NPJOVTQZRWNNQS-JTQLQIEISA-N 1 2 326.227 3.802 20 10 EHCDLO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072703 1035268912 /nfs/dbraw/zinc/26/89/12/1035268912.db2.gz NPJOVTQZRWNNQS-JTQLQIEISA-N 1 2 326.227 3.802 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075557227 1036520224 /nfs/dbraw/zinc/52/02/24/1036520224.db2.gz UJGZQFRIRQGVRS-GOSISDBHSA-N 1 2 348.450 3.837 20 10 EHCDLO C[N@H+](Cc1ccncc1)Cc1cc(Cl)cc(Br)c1O ZINC001141367521 1042657844 /nfs/dbraw/zinc/65/78/44/1042657844.db2.gz DKTPDJUUINWLRR-UHFFFAOYSA-N 1 2 341.636 3.835 20 10 EHCDLO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)no1 ZINC000279670117 1044389835 /nfs/dbraw/zinc/38/98/35/1044389835.db2.gz ORIRKINVCHBTAD-UHFFFAOYSA-N 1 2 327.350 3.700 20 10 EHCDLO Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)no1 ZINC000279670117 1044389851 /nfs/dbraw/zinc/38/98/51/1044389851.db2.gz ORIRKINVCHBTAD-UHFFFAOYSA-N 1 2 327.350 3.700 20 10 EHCDLO COc1ccc([C@H]2CSCC[N@@H+]2Cc2c(O)cccc2F)cc1 ZINC001137837451 1130520392 /nfs/dbraw/zinc/52/03/92/1130520392.db2.gz HJBWLHRYSUODHF-QGZVFWFLSA-N 1 2 333.428 3.830 20 10 EHCDLO COc1ccc([C@H]2CSCC[N@H+]2Cc2c(O)cccc2F)cc1 ZINC001137837451 1130520401 /nfs/dbraw/zinc/52/04/01/1130520401.db2.gz HJBWLHRYSUODHF-QGZVFWFLSA-N 1 2 333.428 3.830 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC001179217099 1133235989 /nfs/dbraw/zinc/23/59/89/1133235989.db2.gz VVWPXVAYHLFTAH-INIZCTEOSA-N 1 2 334.822 3.549 20 10 EHCDLO CN(C)c1ccc(/C=C/C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001180126477 1133335252 /nfs/dbraw/zinc/33/52/52/1133335252.db2.gz UKPPWRZZIUYMEN-KPKJPENVSA-N 1 2 346.434 3.649 20 10 EHCDLO Cc1nc2c(cccc2CC[NH2+]Cc2cc(Cl)c(F)cc2O)o1 ZINC001183710760 1133845100 /nfs/dbraw/zinc/84/51/00/1133845100.db2.gz SIKFAXGUCWTNHI-UHFFFAOYSA-N 1 2 334.778 3.967 20 10 EHCDLO CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000772798947 1134701912 /nfs/dbraw/zinc/70/19/12/1134701912.db2.gz VEOBXUHNAQTXND-GOSISDBHSA-N 1 2 331.387 3.658 20 10 EHCDLO CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000772798947 1134701916 /nfs/dbraw/zinc/70/19/16/1134701916.db2.gz VEOBXUHNAQTXND-GOSISDBHSA-N 1 2 331.387 3.658 20 10 EHCDLO CC[N@H+](CCCn1c2ccccc2[nH]c1=O)c1ccc(OC)cc1 ZINC001191837245 1134933164 /nfs/dbraw/zinc/93/31/64/1134933164.db2.gz ADAPUHMSKMFTTG-UHFFFAOYSA-N 1 2 325.412 3.667 20 10 EHCDLO CC[N@@H+](CCCn1c2ccccc2[nH]c1=O)c1ccc(OC)cc1 ZINC001191837245 1134933172 /nfs/dbraw/zinc/93/31/72/1134933172.db2.gz ADAPUHMSKMFTTG-UHFFFAOYSA-N 1 2 325.412 3.667 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1cccc(Cl)c1O ZINC000806160938 1135404080 /nfs/dbraw/zinc/40/40/80/1135404080.db2.gz MEWVXZFTBSRJPP-CRAIPNDOSA-N 1 2 333.859 3.998 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000775653769 1135419144 /nfs/dbraw/zinc/41/91/44/1135419144.db2.gz BGCYJZPVYZJXFN-NSHDSACASA-N 1 2 341.732 3.728 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000775653769 1135419147 /nfs/dbraw/zinc/41/91/47/1135419147.db2.gz BGCYJZPVYZJXFN-NSHDSACASA-N 1 2 341.732 3.728 20 10 EHCDLO Cc1noc([C@H](C)[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000809652429 1135865662 /nfs/dbraw/zinc/86/56/62/1135865662.db2.gz VHNJAFJGUDGLMM-HNNXBMFYSA-N 1 2 348.450 3.792 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000810026895 1135911416 /nfs/dbraw/zinc/91/14/16/1135911416.db2.gz XNHZGYNDYVNJAE-RDJZCZTQSA-N 1 2 337.847 3.638 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000810026895 1135911419 /nfs/dbraw/zinc/91/14/19/1135911419.db2.gz XNHZGYNDYVNJAE-RDJZCZTQSA-N 1 2 337.847 3.638 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1Oc1ccccc1 ZINC000776005754 1135915743 /nfs/dbraw/zinc/91/57/43/1135915743.db2.gz DUVKSUGTGIZJHW-SCTDSRPQSA-N 1 2 347.842 3.760 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2ccc(C[C@H]3COC(=O)N3)cc2)cc1 ZINC001201498299 1136028856 /nfs/dbraw/zinc/02/88/56/1136028856.db2.gz XGKHCJSOYRVROZ-SFHVURJKSA-N 1 2 325.412 3.901 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2cccc(F)c2N2CC[C@H](O)C2)cc1 ZINC001201505141 1136029334 /nfs/dbraw/zinc/02/93/34/1136029334.db2.gz KVPPYTLPCPRHDK-INIZCTEOSA-N 1 2 329.419 3.961 20 10 EHCDLO CN(C)c1ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc1 ZINC000811837750 1136143617 /nfs/dbraw/zinc/14/36/17/1136143617.db2.gz CEAKFWAURYWJQH-UHFFFAOYSA-N 1 2 325.334 3.701 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O ZINC000850556348 1136284756 /nfs/dbraw/zinc/28/47/56/1136284756.db2.gz KOUJBTAXMCOYCA-WFASDCNBSA-N 1 2 338.879 3.733 20 10 EHCDLO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554995 1136736184 /nfs/dbraw/zinc/73/61/84/1136736184.db2.gz QCXBQOZBYIQNTR-UHFFFAOYSA-N 1 2 346.830 3.578 20 10 EHCDLO CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1O ZINC000817981393 1136855004 /nfs/dbraw/zinc/85/50/04/1136855004.db2.gz RZEVSFYLEWTJKC-MNOVXSKESA-N 1 2 339.213 3.737 20 10 EHCDLO CCc1nc(C[N@H+](C)Cc2ccc(Br)cc2O)cs1 ZINC000824627419 1137145236 /nfs/dbraw/zinc/14/52/36/1137145236.db2.gz NBBQEHBMVCQZMK-UHFFFAOYSA-N 1 2 341.274 3.806 20 10 EHCDLO CCc1nc(C[N@@H+](C)Cc2ccc(Br)cc2O)cs1 ZINC000824627419 1137145237 /nfs/dbraw/zinc/14/52/37/1137145237.db2.gz NBBQEHBMVCQZMK-UHFFFAOYSA-N 1 2 341.274 3.806 20 10 EHCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824643657 1137146089 /nfs/dbraw/zinc/14/60/89/1137146089.db2.gz KNGMOUIWFNPPEC-VHSXEESVSA-N 1 2 346.830 3.576 20 10 EHCDLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cc(F)ccc1O ZINC000825072222 1137164666 /nfs/dbraw/zinc/16/46/66/1137164666.db2.gz DLFHVJFXCAACPQ-UHFFFAOYSA-N 1 2 347.390 3.563 20 10 EHCDLO C[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1F ZINC000846017810 1137326303 /nfs/dbraw/zinc/32/63/03/1137326303.db2.gz QLOXQFPDYJIISZ-BJOHPYRUSA-N 1 2 327.758 3.536 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc(Cl)c1O ZINC000866531335 1137361844 /nfs/dbraw/zinc/36/18/44/1137361844.db2.gz GISMVHOFRSOTLI-BBRMVZONSA-N 1 2 339.863 3.672 20 10 EHCDLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c(C)n1-c1ccccn1 ZINC000122758939 1137464948 /nfs/dbraw/zinc/46/49/48/1137464948.db2.gz IQALNKUEGUZVNC-UHFFFAOYSA-N 1 2 349.438 3.511 20 10 EHCDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000876804205 1137661827 /nfs/dbraw/zinc/66/18/27/1137661827.db2.gz NWXVFMWTHZFQHJ-TZMCWYRMSA-N 1 2 339.407 3.820 20 10 EHCDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000876804205 1137661828 /nfs/dbraw/zinc/66/18/28/1137661828.db2.gz NWXVFMWTHZFQHJ-TZMCWYRMSA-N 1 2 339.407 3.820 20 10 EHCDLO COc1cc(C[N@H+](Cc2ccc(F)c(F)c2O)C2CC2)ccc1O ZINC000877424545 1137675917 /nfs/dbraw/zinc/67/59/17/1137675917.db2.gz XXQCRCQOENPNNX-UHFFFAOYSA-N 1 2 335.350 3.549 20 10 EHCDLO COc1cc(C[N@@H+](Cc2ccc(F)c(F)c2O)C2CC2)ccc1O ZINC000877424545 1137675918 /nfs/dbraw/zinc/67/59/18/1137675918.db2.gz XXQCRCQOENPNNX-UHFFFAOYSA-N 1 2 335.350 3.549 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877673838 1137685372 /nfs/dbraw/zinc/68/53/72/1137685372.db2.gz SNMFFUBCBZUPPS-WBVHZDCISA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877673838 1137685373 /nfs/dbraw/zinc/68/53/73/1137685373.db2.gz SNMFFUBCBZUPPS-WBVHZDCISA-N 1 2 335.806 3.883 20 10 EHCDLO CCCOc1ccc(C[NH2+]C2(c3noc(CC)n3)CCCC2)c(O)c1 ZINC000101596828 1137870885 /nfs/dbraw/zinc/87/08/85/1137870885.db2.gz GHCVVWVZUKGEFE-UHFFFAOYSA-N 1 2 345.443 3.686 20 10 EHCDLO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C[C@@H]1C ZINC000894902764 1022058716 /nfs/dbraw/zinc/05/87/16/1022058716.db2.gz LAGDUQLKZCKWPI-ZANVPECISA-N 1 2 348.668 3.665 20 10 EHCDLO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894448309 1022295971 /nfs/dbraw/zinc/29/59/71/1022295971.db2.gz FMKGTWVLSZTCKV-SNVBAGLBSA-N 1 2 339.208 3.882 20 10 EHCDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894448309 1022295998 /nfs/dbraw/zinc/29/59/98/1022295998.db2.gz FMKGTWVLSZTCKV-SNVBAGLBSA-N 1 2 339.208 3.882 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000894673090 1022689762 /nfs/dbraw/zinc/68/97/62/1022689762.db2.gz VEAOFVXFUZKUIS-UHFFFAOYSA-N 1 2 346.652 3.563 20 10 EHCDLO Cc1cc(NCc2ccc(N3CCOCC3)cc2)nc(C2CCC2)[nH+]1 ZINC000891967109 1023864875 /nfs/dbraw/zinc/86/48/75/1023864875.db2.gz FSMRLDOWDFXVQV-UHFFFAOYSA-N 1 2 338.455 3.501 20 10 EHCDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000895135475 1024841910 /nfs/dbraw/zinc/84/19/10/1024841910.db2.gz XDHLLRLYNBYFPX-UHFFFAOYSA-N 1 2 325.252 3.537 20 10 EHCDLO C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001142527477 1033276525 /nfs/dbraw/zinc/27/65/25/1033276525.db2.gz WHMOBCCXKJHTTL-GOSISDBHSA-N 1 2 337.341 3.557 20 10 EHCDLO C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001142527477 1033276534 /nfs/dbraw/zinc/27/65/34/1033276534.db2.gz WHMOBCCXKJHTTL-GOSISDBHSA-N 1 2 337.341 3.557 20 10 EHCDLO COC1CCC([NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000840792760 1026307492 /nfs/dbraw/zinc/30/74/92/1026307492.db2.gz QACMRMCKEFNZAR-OIKLOGQESA-N 1 2 346.240 3.902 20 10 EHCDLO COc1cccc2c(NCc3ccc(N4CCOCC4)cc3)cc[nH+]c12 ZINC000302493559 1027167135 /nfs/dbraw/zinc/16/71/35/1027167135.db2.gz ZXBPTUPMWVBHGA-UHFFFAOYSA-N 1 2 349.434 3.692 20 10 EHCDLO Oc1c(Br)cc(Br)cc1C[NH+]1CCCCC1 ZINC000196375563 1028677330 /nfs/dbraw/zinc/67/73/30/1028677330.db2.gz GMWVBKZIPKNHKE-UHFFFAOYSA-N 1 2 349.066 3.903 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1cc(F)cc(F)c1O ZINC000765813760 1128435386 /nfs/dbraw/zinc/43/53/86/1128435386.db2.gz DWSBSZJKZDRFHG-BIENJYKASA-N 1 2 346.421 3.842 20 10 EHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)Nc1ccccc1 ZINC000070975620 1125446745 /nfs/dbraw/zinc/44/67/45/1125446745.db2.gz WPEHSJJCXBZQKP-UHFFFAOYSA-N 1 2 336.391 3.626 20 10 EHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)Nc1ccccc1 ZINC000070975620 1125446747 /nfs/dbraw/zinc/44/67/47/1125446747.db2.gz WPEHSJJCXBZQKP-UHFFFAOYSA-N 1 2 336.391 3.626 20 10 EHCDLO CCN(Cc1[nH+]cc(C)c(OC)c1C)c1ccc(OC)c(OC)c1 ZINC000731889058 1130854894 /nfs/dbraw/zinc/85/48/94/1130854894.db2.gz GAVQGJBGBSJUCP-UHFFFAOYSA-N 1 2 330.428 3.751 20 10 EHCDLO COc1cccc(O)c1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768214597 1133113744 /nfs/dbraw/zinc/11/37/44/1133113744.db2.gz GSUBHVNCUJFKIG-UHFFFAOYSA-N 1 2 336.775 3.594 20 10 EHCDLO COc1cccc(O)c1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768214597 1133113756 /nfs/dbraw/zinc/11/37/56/1133113756.db2.gz GSUBHVNCUJFKIG-UHFFFAOYSA-N 1 2 336.775 3.594 20 10 EHCDLO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C2 ZINC001180317792 1133355964 /nfs/dbraw/zinc/35/59/64/1133355964.db2.gz NVXPNFYRCFDKBI-CQSZACIVSA-N 1 2 335.806 3.840 20 10 EHCDLO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151982593 1134959146 /nfs/dbraw/zinc/95/91/46/1134959146.db2.gz BARROASFPOANSF-IBGZPJMESA-N 1 2 349.434 3.939 20 10 EHCDLO CC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1O ZINC000775527734 1135013199 /nfs/dbraw/zinc/01/31/99/1135013199.db2.gz TUCYUEXHWYWLQA-HNNXBMFYSA-N 1 2 326.375 3.557 20 10 EHCDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1O ZINC000775527734 1135013205 /nfs/dbraw/zinc/01/32/05/1135013205.db2.gz TUCYUEXHWYWLQA-HNNXBMFYSA-N 1 2 326.375 3.557 20 10 EHCDLO Cc1cc(NCc2cc(Br)ccc2O)nc(C2CC2)[nH+]1 ZINC000804828170 1135205495 /nfs/dbraw/zinc/20/54/95/1135205495.db2.gz KEUIJIZCSBAYFM-UHFFFAOYSA-N 1 2 334.217 3.743 20 10 EHCDLO CC[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]1COc2ccccc2O1 ZINC000775643625 1135382354 /nfs/dbraw/zinc/38/23/54/1135382354.db2.gz TWGDYQJHIIAEFM-CQSZACIVSA-N 1 2 333.815 3.708 20 10 EHCDLO CC[N@H+](Cc1cccc(Cl)c1O)C[C@@H]1COc2ccccc2O1 ZINC000775643625 1135382359 /nfs/dbraw/zinc/38/23/59/1135382359.db2.gz TWGDYQJHIIAEFM-CQSZACIVSA-N 1 2 333.815 3.708 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1cccc(Cl)c1O ZINC000806133321 1135388938 /nfs/dbraw/zinc/38/89/38/1135388938.db2.gz LDQQLIDKFHMRMY-KDOFPFPSSA-N 1 2 349.858 3.835 20 10 EHCDLO CC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc(Cl)c1O ZINC000806143092 1135400124 /nfs/dbraw/zinc/40/01/24/1135400124.db2.gz SZGPEVCISQQNTC-INIZCTEOSA-N 1 2 338.879 3.877 20 10 EHCDLO C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000806179411 1135412179 /nfs/dbraw/zinc/41/21/79/1135412179.db2.gz CUEWHDWTKKQUIR-JQWIXIFHSA-N 1 2 341.785 3.751 20 10 EHCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(Cl)cc(C)c1O)C2 ZINC000775685460 1135508419 /nfs/dbraw/zinc/50/84/19/1135508419.db2.gz NAWMNMLWTZANOY-UHFFFAOYSA-N 1 2 331.799 3.656 20 10 EHCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(Cl)cc(C)c1O)C2 ZINC000775685460 1135508420 /nfs/dbraw/zinc/50/84/20/1135508420.db2.gz NAWMNMLWTZANOY-UHFFFAOYSA-N 1 2 331.799 3.656 20 10 EHCDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2cc(OC)ccc2O)cs1 ZINC000775724210 1135574994 /nfs/dbraw/zinc/57/49/94/1135574994.db2.gz HRMBJZYMVPUTOC-LBPRGKRZSA-N 1 2 336.457 3.587 20 10 EHCDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2cc(OC)ccc2O)cs1 ZINC000775724210 1135574998 /nfs/dbraw/zinc/57/49/98/1135574998.db2.gz HRMBJZYMVPUTOC-LBPRGKRZSA-N 1 2 336.457 3.587 20 10 EHCDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccc(Cl)cc1 ZINC000809779500 1135889520 /nfs/dbraw/zinc/88/95/20/1135889520.db2.gz PKFHDEQETLTMBD-CYBMUJFWSA-N 1 2 326.223 3.565 20 10 EHCDLO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000810253854 1135948836 /nfs/dbraw/zinc/94/88/36/1135948836.db2.gz FGTMEJMQUAJMAQ-MNOVXSKESA-N 1 2 347.272 3.673 20 10 EHCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)no1 ZINC000810255215 1135949555 /nfs/dbraw/zinc/94/95/55/1135949555.db2.gz MWTURVGREFKRTN-QWRGUYRKSA-N 1 2 339.823 3.685 20 10 EHCDLO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000776255426 1136111685 /nfs/dbraw/zinc/11/16/85/1136111685.db2.gz DFUBUYBVCYDAKN-XIKOKIGWSA-N 1 2 335.831 3.920 20 10 EHCDLO CC[C@H]([NH2+][C@H](COC)C1CCOCC1)c1cccc(Cl)c1O ZINC000850492739 1136270902 /nfs/dbraw/zinc/27/09/02/1136270902.db2.gz DBMGFZZGNXDJAM-JKSUJKDBSA-N 1 2 327.852 3.528 20 10 EHCDLO C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000850577710 1136291374 /nfs/dbraw/zinc/29/13/74/1136291374.db2.gz GWWJWXLGGBADSA-BBRMVZONSA-N 1 2 332.394 3.596 20 10 EHCDLO COCc1nc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cs1 ZINC000815628100 1136621355 /nfs/dbraw/zinc/62/13/55/1136621355.db2.gz RJTMSNDFEIFYCO-SECBINFHSA-N 1 2 346.374 3.865 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH+]1CCN(c2cccs2)CC1 ZINC000816515986 1136730267 /nfs/dbraw/zinc/73/02/67/1136730267.db2.gz RFHFCRREDIBUCA-UHFFFAOYSA-N 1 2 326.824 3.568 20 10 EHCDLO C[C@H]([NH2+]CCCC1(O)CCC1)c1cc(Br)c(F)cc1O ZINC000817585744 1136826239 /nfs/dbraw/zinc/82/62/39/1136826239.db2.gz HRBMBYSQMVKLTJ-JTQLQIEISA-N 1 2 346.240 3.640 20 10 EHCDLO CC[C@H]([NH2+]CCCNCc1cccnc1)c1cc(Cl)ccc1O ZINC000817940404 1136848094 /nfs/dbraw/zinc/84/80/94/1136848094.db2.gz MOQKNKCSVFJSGS-KRWDZBQOSA-N 1 2 333.863 3.661 20 10 EHCDLO Cc1ncc(C[N@@H+](C)Cc2c(O)cccc2Br)s1 ZINC000862229495 1137133660 /nfs/dbraw/zinc/13/36/60/1137133660.db2.gz XSKCJSJYWKGTOY-UHFFFAOYSA-N 1 2 327.247 3.552 20 10 EHCDLO Cc1ncc(C[N@H+](C)Cc2c(O)cccc2Br)s1 ZINC000862229495 1137133661 /nfs/dbraw/zinc/13/36/61/1137133661.db2.gz XSKCJSJYWKGTOY-UHFFFAOYSA-N 1 2 327.247 3.552 20 10 EHCDLO Cc1[nH+]cn(-c2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)c1C ZINC000794801499 1137252068 /nfs/dbraw/zinc/25/20/68/1137252068.db2.gz BHYNJWMGBVLZRR-WMZJFQQLSA-N 1 2 349.390 3.552 20 10 EHCDLO C[C@@H](CC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1)n1cc[nH+]c1 ZINC000845620028 1137301078 /nfs/dbraw/zinc/30/10/78/1137301078.db2.gz ZLRVDOUVBTWOQZ-AWEZNQCLSA-N 1 2 337.423 3.810 20 10 EHCDLO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Br)cc(Cl)c1O ZINC000846191996 1137340970 /nfs/dbraw/zinc/34/09/70/1137340970.db2.gz YYZLDPBNGMNFIV-LQVCDDRESA-N 1 2 346.652 3.779 20 10 EHCDLO C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)CC(F)(F)F ZINC000715787700 1137478009 /nfs/dbraw/zinc/47/80/09/1137478009.db2.gz GLBIDWPTUKLSAX-ZETCQYMHSA-N 1 2 344.146 3.972 20 10 EHCDLO CC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccncc1 ZINC000883016542 1137841709 /nfs/dbraw/zinc/84/17/09/1137841709.db2.gz CSLMBYTZRYRVKG-CQSZACIVSA-N 1 2 339.208 3.930 20 10 EHCDLO CCc1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)on1 ZINC000883017155 1137841782 /nfs/dbraw/zinc/84/17/82/1137841782.db2.gz YWTPBCRNCFSWKS-UHFFFAOYSA-N 1 2 345.624 3.648 20 10 EHCDLO C[C@H]1C[C@H](CC[NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000883087030 1137844135 /nfs/dbraw/zinc/84/41/35/1137844135.db2.gz LSURWXIYVYICPC-WDEREUQCSA-N 1 2 346.240 3.589 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nc(C(F)(F)F)cs1 ZINC000883105394 1137844836 /nfs/dbraw/zinc/84/48/36/1137844836.db2.gz ITXYUKBWQUKAIK-LURJTMIESA-N 1 2 338.301 3.997 20 10 EHCDLO COc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)c1O ZINC000093081101 1138234045 /nfs/dbraw/zinc/23/40/45/1138234045.db2.gz HPAYTBFMPKRLNE-KRWDZBQOSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cccc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)c1O ZINC000093081101 1138234046 /nfs/dbraw/zinc/23/40/46/1138234046.db2.gz HPAYTBFMPKRLNE-KRWDZBQOSA-N 1 2 333.815 3.628 20 10 EHCDLO Cc1cc(C(=O)NCCNc2cccc[nH+]2)c(C)n1-c1ccccc1C ZINC000890186302 1139322411 /nfs/dbraw/zinc/32/24/11/1139322411.db2.gz ABVUJTKFXUXXJF-UHFFFAOYSA-N 1 2 348.450 3.639 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000182479103 1139975412 /nfs/dbraw/zinc/97/54/12/1139975412.db2.gz MPSKAVSBIRIBOL-UHFFFAOYSA-N 1 2 335.806 3.980 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000777441264 1140284347 /nfs/dbraw/zinc/28/43/47/1140284347.db2.gz BQZWVACSAFXOAE-AWEZNQCLSA-N 1 2 343.826 3.740 20 10 EHCDLO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC001320664080 1141551149 /nfs/dbraw/zinc/55/11/49/1141551149.db2.gz DPLBUMMOKSKHAM-OPRDCNLKSA-N 1 2 332.213 3.512 20 10 EHCDLO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Br)c(F)cc1O ZINC000120218691 1014747105 /nfs/dbraw/zinc/74/71/05/1014747105.db2.gz WMSDFMRGPXADPO-ZJUUUORDSA-N 1 2 346.240 3.902 20 10 EHCDLO CN(CCC[NH2+]Cc1cccc(Br)c1O)c1ccccc1 ZINC000048794671 1022842370 /nfs/dbraw/zinc/84/23/70/1022842370.db2.gz WXDIJHWBPTTXCS-UHFFFAOYSA-N 1 2 349.272 3.771 20 10 EHCDLO CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1O ZINC000190134391 1036196220 /nfs/dbraw/zinc/19/62/20/1036196220.db2.gz OBJZPPARJIBTHR-SFHVURJKSA-N 1 2 349.377 3.643 20 10 EHCDLO CCOc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1O ZINC000190134391 1036196230 /nfs/dbraw/zinc/19/62/30/1036196230.db2.gz OBJZPPARJIBTHR-SFHVURJKSA-N 1 2 349.377 3.643 20 10 EHCDLO COCCn1c2ccccc2[nH+]c1NCc1c(C)c2ccccc2n1C ZINC000490082137 1040339064 /nfs/dbraw/zinc/33/90/64/1040339064.db2.gz CZOMUPZBUBIIDG-UHFFFAOYSA-N 1 2 348.450 3.517 20 10 EHCDLO COc1cc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c(O)cc1C ZINC000764956221 1127557574 /nfs/dbraw/zinc/55/75/74/1127557574.db2.gz RLANGHALSRPIPU-OAHLLOKOSA-N 1 2 346.496 3.650 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1cc(F)cc(F)c1O ZINC000765813761 1128435285 /nfs/dbraw/zinc/43/52/85/1128435285.db2.gz DWSBSZJKZDRFHG-CKFHNAJUSA-N 1 2 346.421 3.842 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000715726403 1128959421 /nfs/dbraw/zinc/95/94/21/1128959421.db2.gz UIPPCRBQVMDIGG-PHIMTYICSA-N 1 2 328.225 3.916 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000715726403 1128959423 /nfs/dbraw/zinc/95/94/23/1128959423.db2.gz UIPPCRBQVMDIGG-PHIMTYICSA-N 1 2 328.225 3.916 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000175596317 1123724430 /nfs/dbraw/zinc/72/44/30/1123724430.db2.gz LFHXJHKWKVDJDR-QGZVFWFLSA-N 1 2 347.386 3.508 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000175596317 1123724434 /nfs/dbraw/zinc/72/44/34/1123724434.db2.gz LFHXJHKWKVDJDR-QGZVFWFLSA-N 1 2 347.386 3.508 20 10 EHCDLO COCc1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000743841099 1131980864 /nfs/dbraw/zinc/98/08/64/1131980864.db2.gz DVGNARTYMUDHRS-UHFFFAOYSA-N 1 2 331.485 3.520 20 10 EHCDLO COCc1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000743841099 1131980870 /nfs/dbraw/zinc/98/08/70/1131980870.db2.gz DVGNARTYMUDHRS-UHFFFAOYSA-N 1 2 331.485 3.520 20 10 EHCDLO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc(Br)cc(F)c1O ZINC000797090122 1133018776 /nfs/dbraw/zinc/01/87/76/1133018776.db2.gz ZDOMNIRMSAAACI-VWYCJHECSA-N 1 2 346.240 3.617 20 10 EHCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC001177641805 1133089881 /nfs/dbraw/zinc/08/98/81/1133089881.db2.gz NDQWHEYYWKPMAG-LJQANCHMSA-N 1 2 346.421 3.987 20 10 EHCDLO C[N@H+](Cc1cccc(O)c1)Cc1cc(Br)cc(F)c1O ZINC001179845870 1133289984 /nfs/dbraw/zinc/28/99/84/1133289984.db2.gz YQVAVBBHTPQDJR-UHFFFAOYSA-N 1 2 340.192 3.631 20 10 EHCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000769514617 1133307025 /nfs/dbraw/zinc/30/70/25/1133307025.db2.gz NEMJMHSZACFLNQ-UGSOOPFHSA-N 1 2 334.460 3.915 20 10 EHCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000769514617 1133307030 /nfs/dbraw/zinc/30/70/30/1133307030.db2.gz NEMJMHSZACFLNQ-UGSOOPFHSA-N 1 2 334.460 3.915 20 10 EHCDLO CCC[C@@](C)([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(=O)OC ZINC001180353796 1133359853 /nfs/dbraw/zinc/35/98/53/1133359853.db2.gz OXEXJBYXDAKUSF-LJQANCHMSA-N 1 2 337.460 3.520 20 10 EHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC001180663958 1133404437 /nfs/dbraw/zinc/40/44/37/1133404437.db2.gz CKGLXHMKTKFWAZ-MRXNPFEDSA-N 1 2 333.378 3.504 20 10 EHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC001180663958 1133404441 /nfs/dbraw/zinc/40/44/41/1133404441.db2.gz CKGLXHMKTKFWAZ-MRXNPFEDSA-N 1 2 333.378 3.504 20 10 EHCDLO CCC1(CC)[C@H]([NH2+]Cc2cccc(Br)c2O)C[C@H]1OC ZINC001181465299 1133490550 /nfs/dbraw/zinc/49/05/50/1133490550.db2.gz WIQDAJIWRBBGQF-ZIAGYGMSSA-N 1 2 342.277 3.838 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1nc(Cc2ccccc2)no1 ZINC001181435501 1133492250 /nfs/dbraw/zinc/49/22/50/1133492250.db2.gz DSJCURSRKZXCNC-GFCCVEGCSA-N 1 2 343.814 3.870 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001183960136 1133881521 /nfs/dbraw/zinc/88/15/21/1133881521.db2.gz WDQHVNNIYXZJKX-ZDUSSCGKSA-N 1 2 327.827 3.823 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001183960136 1133881530 /nfs/dbraw/zinc/88/15/30/1133881530.db2.gz WDQHVNNIYXZJKX-ZDUSSCGKSA-N 1 2 327.827 3.823 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)cc1F ZINC000787208442 1133976145 /nfs/dbraw/zinc/97/61/45/1133976145.db2.gz NWTRZDHZWUNKJP-UHFFFAOYSA-N 1 2 340.851 3.871 20 10 EHCDLO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)CC2 ZINC000790697910 1134454626 /nfs/dbraw/zinc/45/46/26/1134454626.db2.gz OJIHBKFKVKVJAM-RISCZKNCSA-N 1 2 335.398 3.656 20 10 EHCDLO CC[C@@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806161163 1135405050 /nfs/dbraw/zinc/40/50/50/1135405050.db2.gz XMEDHFRAXDEKON-BXUZGUMPSA-N 1 2 342.867 4.000 20 10 EHCDLO C[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775661735 1135437507 /nfs/dbraw/zinc/43/75/07/1135437507.db2.gz QTMAIVJKUBPBQV-QMMMGPOBSA-N 1 2 349.066 3.759 20 10 EHCDLO C[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775661735 1135437511 /nfs/dbraw/zinc/43/75/11/1135437511.db2.gz QTMAIVJKUBPBQV-QMMMGPOBSA-N 1 2 349.066 3.759 20 10 EHCDLO OCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCc2ccccc21 ZINC000775695961 1135532038 /nfs/dbraw/zinc/53/20/38/1135532038.db2.gz FLGVMFMVHCBPKV-QGZVFWFLSA-N 1 2 335.806 3.667 20 10 EHCDLO OCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCc2ccccc21 ZINC000775695961 1135532042 /nfs/dbraw/zinc/53/20/42/1135532042.db2.gz FLGVMFMVHCBPKV-QGZVFWFLSA-N 1 2 335.806 3.667 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000775738097 1135600325 /nfs/dbraw/zinc/60/03/25/1135600325.db2.gz SCIJXYYVPFKQEH-HIFRSBDPSA-N 1 2 339.794 3.866 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000775738097 1135600326 /nfs/dbraw/zinc/60/03/26/1135600326.db2.gz SCIJXYYVPFKQEH-HIFRSBDPSA-N 1 2 339.794 3.866 20 10 EHCDLO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000810253853 1135948642 /nfs/dbraw/zinc/94/86/42/1135948642.db2.gz FGTMEJMQUAJMAQ-GHMZBOCLSA-N 1 2 347.272 3.673 20 10 EHCDLO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1cc(Br)ccc1O ZINC000810253857 1135948981 /nfs/dbraw/zinc/94/89/81/1135948981.db2.gz FOJGPFPAFXJXFD-NEPJUHHUSA-N 1 2 329.282 3.534 20 10 EHCDLO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cc(Br)ccc1O ZINC000810253857 1135948983 /nfs/dbraw/zinc/94/89/83/1135948983.db2.gz FOJGPFPAFXJXFD-NEPJUHHUSA-N 1 2 329.282 3.534 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2ccc3c(c2)CCN3S(C)(=O)=O)cc1 ZINC001201498403 1136028720 /nfs/dbraw/zinc/02/87/20/1136028720.db2.gz XITJNEWYJKCLIB-UHFFFAOYSA-N 1 2 345.468 3.573 20 10 EHCDLO COC(=O)Cc1ccc(OC)c(Nc2ccc([NH2+]C(C)C)cc2)c1 ZINC001201497591 1136029050 /nfs/dbraw/zinc/02/90/50/1136029050.db2.gz JJKGHIXGKITTMT-UHFFFAOYSA-N 1 2 328.412 3.975 20 10 EHCDLO CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1)c1cccc(Cl)c1O ZINC000850500660 1136272861 /nfs/dbraw/zinc/27/28/61/1136272861.db2.gz GBSSQMCRYIVQQC-UTJXIGIESA-N 1 2 341.879 3.652 20 10 EHCDLO CC[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cccc(Cl)c1O ZINC000850574372 1136290101 /nfs/dbraw/zinc/29/01/01/1136290101.db2.gz XUXFZZSNOUEJBN-OAHLLOKOSA-N 1 2 338.879 3.912 20 10 EHCDLO Cc1cc(C[N@@H+]2CCSC[C@@H]2c2nccs2)ccc1N(C)C ZINC000815095160 1136555583 /nfs/dbraw/zinc/55/55/83/1136555583.db2.gz SKPYGGQHYJUBEF-MRXNPFEDSA-N 1 2 333.526 3.808 20 10 EHCDLO Cc1cc(C[N@H+]2CCSC[C@@H]2c2nccs2)ccc1N(C)C ZINC000815095160 1136555584 /nfs/dbraw/zinc/55/55/84/1136555584.db2.gz SKPYGGQHYJUBEF-MRXNPFEDSA-N 1 2 333.526 3.808 20 10 EHCDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816480955 1136723114 /nfs/dbraw/zinc/72/31/14/1136723114.db2.gz CJIHFMVHEJOVOW-UHFFFAOYSA-N 1 2 336.794 3.564 20 10 EHCDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816480955 1136723116 /nfs/dbraw/zinc/72/31/16/1136723116.db2.gz CJIHFMVHEJOVOW-UHFFFAOYSA-N 1 2 336.794 3.564 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000816542440 1136731686 /nfs/dbraw/zinc/73/16/86/1136731686.db2.gz OXIHHCLKBHXTFX-UHFFFAOYSA-N 1 2 331.778 3.660 20 10 EHCDLO Cc1ccc(C(C)(C)C[NH2+]Cc2cccc(Br)c2O)nc1 ZINC000858241679 1136951474 /nfs/dbraw/zinc/95/14/74/1136951474.db2.gz CSZNFIFMBTXCOH-UHFFFAOYSA-N 1 2 349.272 3.926 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cc(Br)cc(F)c1O ZINC000858547079 1136977901 /nfs/dbraw/zinc/97/79/01/1136977901.db2.gz INPCCLUCOLHDJO-YLGCSUCGSA-N 1 2 344.224 3.512 20 10 EHCDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)n1 ZINC000824275827 1137129629 /nfs/dbraw/zinc/12/96/29/1137129629.db2.gz GDKKAJJJSDXUSJ-CYBMUJFWSA-N 1 2 342.468 3.927 20 10 EHCDLO CC[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cccc(Cl)c1O ZINC000846216021 1137341954 /nfs/dbraw/zinc/34/19/54/1137341954.db2.gz OVXFFGZXRSNTLZ-CVEARBPZSA-N 1 2 346.858 3.863 20 10 EHCDLO C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)CC(F)(F)F ZINC000715787697 1137478011 /nfs/dbraw/zinc/47/80/11/1137478011.db2.gz GLBIDWPTUKLSAX-SSDOTTSWSA-N 1 2 344.146 3.972 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000883109381 1137844960 /nfs/dbraw/zinc/84/49/60/1137844960.db2.gz OORSDTPKMWKCMK-QMMMGPOBSA-N 1 2 338.167 3.819 20 10 EHCDLO C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)c1ccncc1 ZINC000883028291 1137842007 /nfs/dbraw/zinc/84/20/07/1137842007.db2.gz FVCVVRULKCHNLU-JTQLQIEISA-N 1 2 339.208 3.582 20 10 EHCDLO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(C(F)(F)F)c1O ZINC000883311483 1137854091 /nfs/dbraw/zinc/85/40/91/1137854091.db2.gz BGFQLYGXQLDQCO-LLVKDONJSA-N 1 2 337.345 3.931 20 10 EHCDLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182496319 1139976121 /nfs/dbraw/zinc/97/61/21/1139976121.db2.gz WDIJRXYDUAKDCI-OAHLLOKOSA-N 1 2 343.446 3.901 20 10 EHCDLO Cn1cc([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc2)cn1 ZINC000377259432 1017543635 /nfs/dbraw/zinc/54/36/35/1017543635.db2.gz WICRWUPAVACILH-SFHVURJKSA-N 1 2 345.805 3.797 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCC12CCOCC2 ZINC000894571374 1022572402 /nfs/dbraw/zinc/57/24/02/1022572402.db2.gz PJDADBKUSBCRKT-UHFFFAOYSA-N 1 2 346.652 3.563 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCC12CCOCC2 ZINC000894571374 1022572411 /nfs/dbraw/zinc/57/24/11/1022572411.db2.gz PJDADBKUSBCRKT-UHFFFAOYSA-N 1 2 346.652 3.563 20 10 EHCDLO CCOCc1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)ccc1OC ZINC000897945025 1033253938 /nfs/dbraw/zinc/25/39/38/1033253938.db2.gz TUYMLIXRMVEEOK-UHFFFAOYSA-N 1 2 332.444 3.807 20 10 EHCDLO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000898218464 1033373029 /nfs/dbraw/zinc/37/30/29/1033373029.db2.gz HOLGXKXUGQMKEW-VXGBXAGGSA-N 1 2 347.789 3.502 20 10 EHCDLO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000898218614 1033375105 /nfs/dbraw/zinc/37/51/05/1033375105.db2.gz LJQRUTGEAFAYFZ-GFCCVEGCSA-N 1 2 348.830 3.561 20 10 EHCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1noc(-c2ccccc2)n1 ZINC000185766814 1035530242 /nfs/dbraw/zinc/53/02/42/1035530242.db2.gz HXRKVJUJDXFDMZ-NWDGAFQWSA-N 1 2 327.359 3.993 20 10 EHCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCc2ccccc21 ZINC001648998602 1120342543 /nfs/dbraw/zinc/34/25/43/1120342543.db2.gz GZDMKSDOUZFSBT-LBPRGKRZSA-N 1 2 334.822 3.726 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1cc(OC)ccc1O)[C@@H](C)c1ccccc1 ZINC000180940591 1124460391 /nfs/dbraw/zinc/46/03/91/1124460391.db2.gz VZEWJYMOPKXVRR-HNNXBMFYSA-N 1 2 343.423 3.527 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1cc(OC)ccc1O)[C@@H](C)c1ccccc1 ZINC000180940591 1124460395 /nfs/dbraw/zinc/46/03/95/1124460395.db2.gz VZEWJYMOPKXVRR-HNNXBMFYSA-N 1 2 343.423 3.527 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922695091 1129632689 /nfs/dbraw/zinc/63/26/89/1129632689.db2.gz DTBJXTRFGDFTMS-UHFFFAOYSA-N 1 2 326.824 3.810 20 10 EHCDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c(O)cc1C ZINC000186947434 1129935116 /nfs/dbraw/zinc/93/51/16/1129935116.db2.gz FKHLFYDPHYGFDV-LJQANCHMSA-N 1 2 349.377 3.561 20 10 EHCDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c(O)cc1C ZINC000186947434 1129935119 /nfs/dbraw/zinc/93/51/19/1129935119.db2.gz FKHLFYDPHYGFDV-LJQANCHMSA-N 1 2 349.377 3.561 20 10 EHCDLO Nc1ccc(N(c2ccccc2)c2ccc(C[NH+]3CC(O)C3)cc2)cc1 ZINC001212670399 1131780355 /nfs/dbraw/zinc/78/03/55/1131780355.db2.gz VUUNJAYFTVGGCK-UHFFFAOYSA-N 1 2 345.446 3.915 20 10 EHCDLO C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001177483370 1133068762 /nfs/dbraw/zinc/06/87/62/1133068762.db2.gz OZPQCQMSJRZJNE-GFCCVEGCSA-N 1 2 328.859 3.785 20 10 EHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC001180663957 1133404574 /nfs/dbraw/zinc/40/45/74/1133404574.db2.gz CKGLXHMKTKFWAZ-INIZCTEOSA-N 1 2 333.378 3.504 20 10 EHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC001180663957 1133404579 /nfs/dbraw/zinc/40/45/79/1133404579.db2.gz CKGLXHMKTKFWAZ-INIZCTEOSA-N 1 2 333.378 3.504 20 10 EHCDLO Cc1ccc(N2CC[N@H+](Cc3ccc4ccccc4c3O)CC2=O)cc1 ZINC001181671177 1133512014 /nfs/dbraw/zinc/51/20/14/1133512014.db2.gz BNMMZBPJAUPOMU-UHFFFAOYSA-N 1 2 346.430 3.703 20 10 EHCDLO Cc1ccc(N2CC[N@@H+](Cc3ccc4ccccc4c3O)CC2=O)cc1 ZINC001181671177 1133512016 /nfs/dbraw/zinc/51/20/16/1133512016.db2.gz BNMMZBPJAUPOMU-UHFFFAOYSA-N 1 2 346.430 3.703 20 10 EHCDLO Cc1cc(CC[NH2+][C@@H](C)C(=O)OC(C)(C)C)c(C)n1-c1ccccc1 ZINC001183179244 1133776145 /nfs/dbraw/zinc/77/61/45/1133776145.db2.gz CHUUMTBBOWHZMF-INIZCTEOSA-N 1 2 342.483 3.956 20 10 EHCDLO COc1c(O)c(C[N@H+](C)[C@@H](C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000774837741 1134046175 /nfs/dbraw/zinc/04/61/75/1134046175.db2.gz RDKJGFZKAHXMAF-NSHDSACASA-N 1 2 334.347 3.641 20 10 EHCDLO COc1c(O)c(C[N@@H+](C)[C@@H](C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000774837741 1134046181 /nfs/dbraw/zinc/04/61/81/1134046181.db2.gz RDKJGFZKAHXMAF-NSHDSACASA-N 1 2 334.347 3.641 20 10 EHCDLO CC(C)(C)c1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000788019609 1134064215 /nfs/dbraw/zinc/06/42/15/1134064215.db2.gz LXURBNNOLTZFBW-QGZVFWFLSA-N 1 2 344.455 3.859 20 10 EHCDLO CC(C)(C)c1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000788019609 1134064223 /nfs/dbraw/zinc/06/42/23/1134064223.db2.gz LXURBNNOLTZFBW-QGZVFWFLSA-N 1 2 344.455 3.859 20 10 EHCDLO CC(C)(C)c1nnc(C[NH2+]Cc2c(O)ccc(Cl)c2F)s1 ZINC000790977467 1134495022 /nfs/dbraw/zinc/49/50/22/1134495022.db2.gz YFFQDWQOODTVEX-UHFFFAOYSA-N 1 2 329.828 3.624 20 10 EHCDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)C1CCSCC1 ZINC000793185131 1134871300 /nfs/dbraw/zinc/87/13/00/1134871300.db2.gz HLIHEJBLKPVEBU-SNVBAGLBSA-N 1 2 330.291 3.776 20 10 EHCDLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001192948544 1135075218 /nfs/dbraw/zinc/07/52/18/1135075218.db2.gz YKROTAZTHVEDOP-HNNXBMFYSA-N 1 2 345.874 3.555 20 10 EHCDLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001192948544 1135075223 /nfs/dbraw/zinc/07/52/23/1135075223.db2.gz YKROTAZTHVEDOP-HNNXBMFYSA-N 1 2 345.874 3.555 20 10 EHCDLO CC[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806135505 1135389351 /nfs/dbraw/zinc/38/93/51/1135389351.db2.gz KTEXVDDRHZIBJM-ZDUSSCGKSA-N 1 2 328.840 3.611 20 10 EHCDLO CC[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cccc(Cl)c1O ZINC000806141386 1135400268 /nfs/dbraw/zinc/40/02/68/1135400268.db2.gz IXEKWNHUTILDGN-GOEBONIOSA-N 1 2 328.909 3.524 20 10 EHCDLO Oc1c(F)cc(Cl)cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000775711515 1135548677 /nfs/dbraw/zinc/54/86/77/1135548677.db2.gz CLBNRENSSTXUME-HNNXBMFYSA-N 1 2 326.843 3.635 20 10 EHCDLO CN(C)C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(F)cc1 ZINC000809769981 1135880674 /nfs/dbraw/zinc/88/06/74/1135880674.db2.gz OTVHLNLTFQNCAB-MRXNPFEDSA-N 1 2 340.801 3.716 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc2c(c1)CCC(=O)N2 ZINC000809741016 1135884195 /nfs/dbraw/zinc/88/41/95/1135884195.db2.gz NLYFISKJJKTNJH-SNVBAGLBSA-N 1 2 348.805 3.920 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000810093618 1135920561 /nfs/dbraw/zinc/92/05/61/1135920561.db2.gz OIVLXIODCDVDDG-SJLPKXTDSA-N 1 2 349.858 3.782 20 10 EHCDLO COc1ccc(C(=O)N(C)C)cc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201498003 1136028793 /nfs/dbraw/zinc/02/87/93/1136028793.db2.gz PUULSSCABCJESU-UHFFFAOYSA-N 1 2 327.428 3.961 20 10 EHCDLO Cn1cc(-c2ccccc2C[NH2+]Cc2cc(Cl)cc(F)c2O)cn1 ZINC000776255780 1136110837 /nfs/dbraw/zinc/11/08/37/1136110837.db2.gz IEWBJJMUXVKKCA-UHFFFAOYSA-N 1 2 345.805 3.875 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000850480980 1136267097 /nfs/dbraw/zinc/26/70/97/1136267097.db2.gz DBVRQEVSWLJZIO-SCZZXKLOSA-N 1 2 332.213 3.512 20 10 EHCDLO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000815124250 1136554115 /nfs/dbraw/zinc/55/41/15/1136554115.db2.gz ZTTCIFRGLQUPKY-LBPRGKRZSA-N 1 2 349.276 3.546 20 10 EHCDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc2ccccc2c1O ZINC000816502775 1136728124 /nfs/dbraw/zinc/72/81/24/1136728124.db2.gz PWHRGSRNMVQZKZ-UHFFFAOYSA-N 1 2 349.356 3.936 20 10 EHCDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc2ccccc2c1O ZINC000816502775 1136728127 /nfs/dbraw/zinc/72/81/27/1136728127.db2.gz PWHRGSRNMVQZKZ-UHFFFAOYSA-N 1 2 349.356 3.936 20 10 EHCDLO COc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1F ZINC000816546209 1136732462 /nfs/dbraw/zinc/73/24/62/1136732462.db2.gz BJUSTFGCPTZKLB-UHFFFAOYSA-N 1 2 327.758 3.665 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000817409712 1136805645 /nfs/dbraw/zinc/80/56/45/1136805645.db2.gz FCXIRODRWWZMHZ-GFCCVEGCSA-N 1 2 342.302 3.778 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856807726 1136813550 /nfs/dbraw/zinc/81/35/50/1136813550.db2.gz RJSNVEBVYJZHPF-SECBINFHSA-N 1 2 339.060 3.828 20 10 EHCDLO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Br)c(F)cc1O ZINC000857082457 1136842513 /nfs/dbraw/zinc/84/25/13/1136842513.db2.gz VREVIVJWFDDXSZ-JGVFFNPUSA-N 1 2 338.167 3.990 20 10 EHCDLO Oc1cccc(Br)c1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000858103284 1136940262 /nfs/dbraw/zinc/94/02/62/1136940262.db2.gz NNPDOCLLKOBHJU-UHFFFAOYSA-N 1 2 348.244 3.762 20 10 EHCDLO Cc1cnc(C(C)(C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000858148825 1136944120 /nfs/dbraw/zinc/94/41/20/1136944120.db2.gz MPMZVWAQOPPCAN-UHFFFAOYSA-N 1 2 325.428 3.821 20 10 EHCDLO COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)OC)c1 ZINC000858442349 1136968049 /nfs/dbraw/zinc/96/80/49/1136968049.db2.gz GHAHPJMIQAOEFY-GTNSWQLSSA-N 1 2 337.366 3.717 20 10 EHCDLO Cc1[nH+]c(NCc2ccc(N(C)C)c(F)c2)ccc1-c1cnn(C)c1 ZINC000824445595 1137137923 /nfs/dbraw/zinc/13/79/23/1137137923.db2.gz GPJIAQWXWLQNCG-UHFFFAOYSA-N 1 2 339.418 3.608 20 10 EHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2csc(C3CC3)n2)cc1 ZINC000844402468 1137217552 /nfs/dbraw/zinc/21/75/52/1137217552.db2.gz YROMSZWDVCOXCR-UHFFFAOYSA-N 1 2 331.485 3.597 20 10 EHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2csc(C3CC3)n2)cc1 ZINC000844402468 1137217553 /nfs/dbraw/zinc/21/75/53/1137217553.db2.gz YROMSZWDVCOXCR-UHFFFAOYSA-N 1 2 331.485 3.597 20 10 EHCDLO CCOc1c(F)cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1F ZINC001144032572 1137230510 /nfs/dbraw/zinc/23/05/10/1137230510.db2.gz PTWFDVOXGSVRPK-UHFFFAOYSA-N 1 2 349.377 3.723 20 10 EHCDLO CCOc1c(F)cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc1F ZINC001144032572 1137230512 /nfs/dbraw/zinc/23/05/12/1137230512.db2.gz PTWFDVOXGSVRPK-UHFFFAOYSA-N 1 2 349.377 3.723 20 10 EHCDLO CSC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144300054 1137268791 /nfs/dbraw/zinc/26/87/91/1137268791.db2.gz QLQREHBIJWBPSG-UHFFFAOYSA-N 1 2 334.254 3.621 20 10 EHCDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877397957 1137675379 /nfs/dbraw/zinc/67/53/79/1137675379.db2.gz BWCFRBQUKZDJQL-UHFFFAOYSA-N 1 2 331.366 3.582 20 10 EHCDLO COC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1cccc(Cl)c1 ZINC000877537848 1137680305 /nfs/dbraw/zinc/68/03/05/1137680305.db2.gz QMRFVIVZDDZCDR-CQSZACIVSA-N 1 2 327.758 3.801 20 10 EHCDLO OC1CCN(c2ccc(C[N@@H+]3Cc4ccc(Cl)cc4C3)cc2)CC1 ZINC000877585416 1137682134 /nfs/dbraw/zinc/68/21/34/1137682134.db2.gz GXWITZKLOVJXDU-UHFFFAOYSA-N 1 2 342.870 3.817 20 10 EHCDLO OC1CCN(c2ccc(C[N@H+]3Cc4ccc(Cl)cc4C3)cc2)CC1 ZINC000877585416 1137682135 /nfs/dbraw/zinc/68/21/35/1137682135.db2.gz GXWITZKLOVJXDU-UHFFFAOYSA-N 1 2 342.870 3.817 20 10 EHCDLO Cc1csc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000877812655 1137690693 /nfs/dbraw/zinc/69/06/93/1137690693.db2.gz DGWKBHCMGGCCIV-SNVBAGLBSA-N 1 2 326.824 3.939 20 10 EHCDLO Cc1csc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000877812655 1137690694 /nfs/dbraw/zinc/69/06/94/1137690694.db2.gz DGWKBHCMGGCCIV-SNVBAGLBSA-N 1 2 326.824 3.939 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1)c1cccc(Cl)c1O ZINC000886766984 1138136317 /nfs/dbraw/zinc/13/63/17/1138136317.db2.gz WQOKUHDPDLVBPS-YFPWBOGZSA-N 1 2 339.863 3.813 20 10 EHCDLO Cn1c(CCC[NH2+]Cc2cc(Cl)cc(F)c2O)nc2ccccc21 ZINC000777483241 1140526061 /nfs/dbraw/zinc/52/60/61/1140526061.db2.gz JVPPEINLRJHTBU-UHFFFAOYSA-N 1 2 347.821 3.794 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000153989309 1014754530 /nfs/dbraw/zinc/75/45/30/1014754530.db2.gz FJGJVVUJKLMHJQ-QGZVFWFLSA-N 1 2 330.815 3.980 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000153989309 1014754537 /nfs/dbraw/zinc/75/45/37/1014754537.db2.gz FJGJVVUJKLMHJQ-QGZVFWFLSA-N 1 2 330.815 3.980 20 10 EHCDLO CC[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(Cl)c1O ZINC000376834699 1017154702 /nfs/dbraw/zinc/15/47/02/1017154702.db2.gz OWIYNDGNYHHCBE-BLLLJJGKSA-N 1 2 349.837 3.899 20 10 EHCDLO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000275751331 1018503124 /nfs/dbraw/zinc/50/31/24/1018503124.db2.gz DKURHAIDJBQFAG-KRWDZBQOSA-N 1 2 349.482 3.692 20 10 EHCDLO Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)ccn1 ZINC000834860153 1020878446 /nfs/dbraw/zinc/87/84/46/1020878446.db2.gz PHRIBWDDXDHYPF-SNVBAGLBSA-N 1 2 339.208 3.848 20 10 EHCDLO Oc1cc2c(cc1C[NH+]1CCN(CC3CC3)CC1)oc1ccccc12 ZINC000726960616 1022251790 /nfs/dbraw/zinc/25/17/90/1022251790.db2.gz DKANOIZTCNBQSK-UHFFFAOYSA-N 1 2 336.435 3.819 20 10 EHCDLO COCC1(C)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894425506 1022267585 /nfs/dbraw/zinc/26/75/85/1022267585.db2.gz WRYUQKLWTUOAMO-UHFFFAOYSA-N 1 2 346.240 3.542 20 10 EHCDLO CSC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000895414786 1024487802 /nfs/dbraw/zinc/48/78/02/1024487802.db2.gz JEQAIJFIIZKCIX-UHFFFAOYSA-N 1 2 334.254 3.621 20 10 EHCDLO COc1cccc(C[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)c1 ZINC000320764042 1024633567 /nfs/dbraw/zinc/63/35/67/1024633567.db2.gz PBSUYUQDZKQJAW-UHFFFAOYSA-N 1 2 333.815 3.889 20 10 EHCDLO COc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)c1 ZINC000320764042 1024633586 /nfs/dbraw/zinc/63/35/86/1024633586.db2.gz PBSUYUQDZKQJAW-UHFFFAOYSA-N 1 2 333.815 3.889 20 10 EHCDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000281139967 1024692540 /nfs/dbraw/zinc/69/25/40/1024692540.db2.gz OGPSKSUMORZEMD-OAHLLOKOSA-N 1 2 349.862 3.998 20 10 EHCDLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000281139967 1024692546 /nfs/dbraw/zinc/69/25/46/1024692546.db2.gz OGPSKSUMORZEMD-OAHLLOKOSA-N 1 2 349.862 3.998 20 10 EHCDLO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000897043405 1026276432 /nfs/dbraw/zinc/27/64/32/1026276432.db2.gz LBOONDHUWKYCRD-GXSJLCMTSA-N 1 2 339.798 3.556 20 10 EHCDLO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000840822388 1026405330 /nfs/dbraw/zinc/40/53/30/1026405330.db2.gz UEJFSUJPYOQSKK-CKLFPEKLSA-N 1 2 332.213 3.512 20 10 EHCDLO Cc1ncccc1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000527986705 1031602301 /nfs/dbraw/zinc/60/23/01/1031602301.db2.gz LKILDQAYOPPNRI-JTQLQIEISA-N 1 2 339.208 3.848 20 10 EHCDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1noc(-c2ccccc2)n1 ZINC000185766778 1035528387 /nfs/dbraw/zinc/52/83/87/1035528387.db2.gz HXRKVJUJDXFDMZ-RYUDHWBXSA-N 1 2 327.359 3.993 20 10 EHCDLO Oc1cc(Br)cc(F)c1C[NH+]1CCC(C(F)F)CC1 ZINC001233031806 1036264849 /nfs/dbraw/zinc/26/48/49/1036264849.db2.gz NBEBAXNWCCRWLY-UHFFFAOYSA-N 1 2 338.167 3.771 20 10 EHCDLO CCOc1cccc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1O ZINC000184971791 1038971591 /nfs/dbraw/zinc/97/15/91/1038971591.db2.gz TUAWWSOLYWFSPE-HNNXBMFYSA-N 1 2 346.496 3.731 20 10 EHCDLO CCOC[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894026483 1039993298 /nfs/dbraw/zinc/99/32/98/1039993298.db2.gz LPLWWPMFAHRFTG-NSHDSACASA-N 1 2 346.240 3.542 20 10 EHCDLO CCOC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894026483 1039993314 /nfs/dbraw/zinc/99/33/14/1039993314.db2.gz LPLWWPMFAHRFTG-NSHDSACASA-N 1 2 346.240 3.542 20 10 EHCDLO CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756617149 1041364571 /nfs/dbraw/zinc/36/45/71/1041364571.db2.gz GFTUYBCAPYYIEP-WDEREUQCSA-N 1 2 348.256 3.743 20 10 EHCDLO CC[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc(F)cc1O ZINC000866619868 1137369994 /nfs/dbraw/zinc/36/99/94/1137369994.db2.gz ILWUNHLIPDQTFO-JTQLQIEISA-N 1 2 345.237 3.991 20 10 EHCDLO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(Cl)c1O ZINC001659870703 1126263716 /nfs/dbraw/zinc/26/37/16/1126263716.db2.gz VGKACZZZRFVVIA-KRWDZBQOSA-N 1 2 340.250 3.782 20 10 EHCDLO C[C@@H]([NH2+]CCOCC1CCC1)c1cc(Br)cc(F)c1O ZINC000765806416 1128408931 /nfs/dbraw/zinc/40/89/31/1128408931.db2.gz CCTKYOBAGAEALH-SNVBAGLBSA-N 1 2 346.240 3.761 20 10 EHCDLO C[C@H](Nc1[nH+]c2ccccc2n1C)c1ccc(N2CCOCC2)cc1 ZINC000762518072 1121336248 /nfs/dbraw/zinc/33/62/48/1121336248.db2.gz ALVASBDKJHNJEF-HNNXBMFYSA-N 1 2 336.439 3.583 20 10 EHCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)cc1 ZINC000918021725 1122731157 /nfs/dbraw/zinc/73/11/57/1122731157.db2.gz KFUDVJDNJOPYAN-AWEZNQCLSA-N 1 2 332.394 3.857 20 10 EHCDLO CCN(C)c1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182886811 1125388042 /nfs/dbraw/zinc/38/80/42/1125388042.db2.gz LLGAHVKCERXPLZ-INIZCTEOSA-N 1 2 340.471 3.547 20 10 EHCDLO CC(=O)N1CCC[C@@H](C[NH2+]c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001168780314 1132511764 /nfs/dbraw/zinc/51/17/64/1132511764.db2.gz UYQXWWPKQAYKIF-SFHVURJKSA-N 1 2 325.456 3.765 20 10 EHCDLO CN(C)c1ccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)c[nH+]1 ZINC001175345792 1132629219 /nfs/dbraw/zinc/62/92/19/1132629219.db2.gz IFEFQVSZDKDBTG-UHFFFAOYSA-N 1 2 348.406 3.693 20 10 EHCDLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC000769310901 1133259050 /nfs/dbraw/zinc/25/90/50/1133259050.db2.gz KIJHUENHPGZRCX-IBGZPJMESA-N 1 2 349.377 3.643 20 10 EHCDLO CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC000769310901 1133259053 /nfs/dbraw/zinc/25/90/53/1133259053.db2.gz KIJHUENHPGZRCX-IBGZPJMESA-N 1 2 349.377 3.643 20 10 EHCDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc(C(F)(F)F)c1O ZINC000788822063 1134177568 /nfs/dbraw/zinc/17/75/68/1134177568.db2.gz IXQFBLDJEPVRMT-JTQLQIEISA-N 1 2 342.365 3.608 20 10 EHCDLO CCc1cc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)nc(CC)[nH+]1 ZINC001186781141 1134257138 /nfs/dbraw/zinc/25/71/38/1134257138.db2.gz NGPOOQFXZVWFTP-HNNXBMFYSA-N 1 2 340.471 3.548 20 10 EHCDLO Oc1cccc(Cl)c1C[NH2+]Cc1cccc(Br)c1O ZINC000775147559 1134388679 /nfs/dbraw/zinc/38/86/79/1134388679.db2.gz WERNAYPZRIDRSZ-UHFFFAOYSA-N 1 2 342.620 3.804 20 10 EHCDLO COc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)sn1 ZINC001192005930 1134955454 /nfs/dbraw/zinc/95/54/54/1134955454.db2.gz NXAFCXNNNDEQFF-UHFFFAOYSA-N 1 2 330.409 3.653 20 10 EHCDLO COc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)sn1 ZINC001192005930 1134955457 /nfs/dbraw/zinc/95/54/57/1134955457.db2.gz NXAFCXNNNDEQFF-UHFFFAOYSA-N 1 2 330.409 3.653 20 10 EHCDLO CC[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1cccc(Cl)c1O ZINC000806135326 1135389808 /nfs/dbraw/zinc/38/98/08/1135389808.db2.gz ILTVVEBKRXLQAC-QGZVFWFLSA-N 1 2 346.858 3.793 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cccc(Cl)c1O ZINC000806138814 1135391086 /nfs/dbraw/zinc/39/10/86/1135391086.db2.gz CDDNRFXCGBZWGH-ZENOOKHLSA-N 1 2 338.879 3.733 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(Cl)c1O ZINC000806148030 1135400608 /nfs/dbraw/zinc/40/06/08/1135400608.db2.gz BXDNQNIZYSODKB-CJNGLKHVSA-N 1 2 339.863 3.815 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc(Cl)c2O)[C@@]12CCCO2 ZINC000806157673 1135403482 /nfs/dbraw/zinc/40/34/82/1135403482.db2.gz ATDCNEUNGJOJJN-HPFXQQBRSA-N 1 2 339.863 3.813 20 10 EHCDLO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)c1cc(F)cc(F)c1O ZINC000806663725 1135482257 /nfs/dbraw/zinc/48/22/57/1135482257.db2.gz RTMRVSAKYVDKQR-NJSLBKSFSA-N 1 2 346.421 3.984 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1cc(F)cc(F)c1O ZINC000806663723 1135482305 /nfs/dbraw/zinc/48/23/05/1135482305.db2.gz RTMRVSAKYVDKQR-IQUTYRLHSA-N 1 2 346.421 3.984 20 10 EHCDLO OCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCc2ccccc21 ZINC000775695960 1135532776 /nfs/dbraw/zinc/53/27/76/1135532776.db2.gz FLGVMFMVHCBPKV-KRWDZBQOSA-N 1 2 335.806 3.667 20 10 EHCDLO OCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCc2ccccc21 ZINC000775695960 1135532780 /nfs/dbraw/zinc/53/27/80/1135532780.db2.gz FLGVMFMVHCBPKV-KRWDZBQOSA-N 1 2 335.806 3.667 20 10 EHCDLO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c1O ZINC000808713989 1135719566 /nfs/dbraw/zinc/71/95/66/1135719566.db2.gz VWQXGANDVFADBI-GFCCVEGCSA-N 1 2 342.830 3.990 20 10 EHCDLO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)n[nH]2)c1O ZINC000808713989 1135719571 /nfs/dbraw/zinc/71/95/71/1135719571.db2.gz VWQXGANDVFADBI-GFCCVEGCSA-N 1 2 342.830 3.990 20 10 EHCDLO Oc1ccc(Br)cc1C[NH2+]Cc1cccc(Cl)c1O ZINC000809712922 1135876128 /nfs/dbraw/zinc/87/61/28/1135876128.db2.gz GOJOVWUSYXYHSQ-UHFFFAOYSA-N 1 2 342.620 3.804 20 10 EHCDLO CC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)c2ccccc21 ZINC001201465506 1136023171 /nfs/dbraw/zinc/02/31/71/1136023171.db2.gz QFLMSBSMXCZRCU-INIZCTEOSA-N 1 2 348.805 3.772 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2cc(F)c(S(C)(=O)=O)cc2F)cc1 ZINC001201505800 1136029412 /nfs/dbraw/zinc/02/94/12/1136029412.db2.gz QDVRKCPGSWOOLA-UHFFFAOYSA-N 1 2 340.395 3.932 20 10 EHCDLO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000776222526 1136071002 /nfs/dbraw/zinc/07/10/02/1136071002.db2.gz NSBYCLBTHAEWJP-GFCCVEGCSA-N 1 2 335.831 3.784 20 10 EHCDLO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3n[nH]cc3C)c2C)cc1 ZINC000811466349 1136091083 /nfs/dbraw/zinc/09/10/83/1136091083.db2.gz VQXNTHZDEVPRGZ-UHFFFAOYSA-N 1 2 338.455 3.766 20 10 EHCDLO COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3n[nH]cc3C)c2C)cc1 ZINC000811466349 1136091084 /nfs/dbraw/zinc/09/10/84/1136091084.db2.gz VQXNTHZDEVPRGZ-UHFFFAOYSA-N 1 2 338.455 3.766 20 10 EHCDLO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3[nH]ncc3C)c2C)cc1 ZINC000811466349 1136091086 /nfs/dbraw/zinc/09/10/86/1136091086.db2.gz VQXNTHZDEVPRGZ-UHFFFAOYSA-N 1 2 338.455 3.766 20 10 EHCDLO COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3[nH]ncc3C)c2C)cc1 ZINC000811466349 1136091088 /nfs/dbraw/zinc/09/10/88/1136091088.db2.gz VQXNTHZDEVPRGZ-UHFFFAOYSA-N 1 2 338.455 3.766 20 10 EHCDLO COC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(OC)c1 ZINC000850362166 1136241111 /nfs/dbraw/zinc/24/11/11/1136241111.db2.gz IMGZYPBRMNXEPB-HNNXBMFYSA-N 1 2 339.794 3.671 20 10 EHCDLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)oc1C ZINC000816483217 1136723439 /nfs/dbraw/zinc/72/34/39/1136723439.db2.gz KBWSLQRCLNZOBD-UHFFFAOYSA-N 1 2 341.766 3.505 20 10 EHCDLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)oc1C ZINC000816483217 1136723442 /nfs/dbraw/zinc/72/34/42/1136723442.db2.gz KBWSLQRCLNZOBD-UHFFFAOYSA-N 1 2 341.766 3.505 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1[O-] ZINC000817942732 1136849105 /nfs/dbraw/zinc/84/91/05/1136849105.db2.gz QQMYXELVTCSGPW-ZWKOTPCHSA-N 1 2 347.890 3.852 20 10 EHCDLO Cc1cc(O)c(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1Cl ZINC000824813722 1137153613 /nfs/dbraw/zinc/15/36/13/1137153613.db2.gz IJNOKKZQPORODU-HNNXBMFYSA-N 1 2 345.874 3.628 20 10 EHCDLO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cccc(Br)c1O)C(C)C ZINC000824846402 1137155836 /nfs/dbraw/zinc/15/58/36/1137155836.db2.gz RLDUPGJONLSNSI-HIFRSBDPSA-N 1 2 344.293 3.533 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824952907 1137159250 /nfs/dbraw/zinc/15/92/50/1137159250.db2.gz FODUIOAXMQIIIL-GOEBONIOSA-N 1 2 336.794 3.590 20 10 EHCDLO Cc1nc(C2([NH2+]Cc3cc(Cl)c(C)cc3O)CCCCC2)no1 ZINC000825197124 1137169799 /nfs/dbraw/zinc/16/97/99/1137169799.db2.gz GWEZLFCGKUDMQT-UHFFFAOYSA-N 1 2 335.835 3.995 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc(Cl)c1O ZINC000866531337 1137361884 /nfs/dbraw/zinc/36/18/84/1137361884.db2.gz GISMVHOFRSOTLI-CZUORRHYSA-N 1 2 339.863 3.672 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000715793004 1137478200 /nfs/dbraw/zinc/47/82/00/1137478200.db2.gz FZIIFVRFFNTQQQ-UHFFFAOYSA-N 1 2 338.167 3.771 20 10 EHCDLO C[C@H](c1cccc(NCc2ccc(F)c(F)c2O)c1)[NH+]1CCOCC1 ZINC000876858292 1137663885 /nfs/dbraw/zinc/66/38/85/1137663885.db2.gz ASXOJYMCGKLZJD-CYBMUJFWSA-N 1 2 348.393 3.676 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nccn2CC(F)F)cc1 ZINC000877921711 1137695695 /nfs/dbraw/zinc/69/56/95/1137695695.db2.gz LGHSTXLHSVAOCN-UHFFFAOYSA-N 1 2 336.430 3.626 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nccn2CC(F)F)cc1 ZINC000877921711 1137695696 /nfs/dbraw/zinc/69/56/96/1137695696.db2.gz LGHSTXLHSVAOCN-UHFFFAOYSA-N 1 2 336.430 3.626 20 10 EHCDLO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000883081895 1137843866 /nfs/dbraw/zinc/84/38/66/1137843866.db2.gz QUPKPMYZPJODPQ-JSGCOSHPSA-N 1 2 346.240 3.587 20 10 EHCDLO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000883081897 1137843883 /nfs/dbraw/zinc/84/38/83/1137843883.db2.gz QUPKPMYZPJODPQ-TZMCWYRMSA-N 1 2 346.240 3.587 20 10 EHCDLO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC001649170942 1138020461 /nfs/dbraw/zinc/02/04/61/1138020461.db2.gz HWAFLLXZKIODJU-SUMWQHHRSA-N 1 2 332.394 3.596 20 10 EHCDLO CN(C)c1ccc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC000131396718 1138514912 /nfs/dbraw/zinc/51/49/12/1138514912.db2.gz DDPNCZYMQXKYOW-UHFFFAOYSA-N 1 2 329.391 3.860 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC000131396718 1138514913 /nfs/dbraw/zinc/51/49/13/1138514913.db2.gz DDPNCZYMQXKYOW-UHFFFAOYSA-N 1 2 329.391 3.860 20 10 EHCDLO COC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1ccc(F)c(F)c1 ZINC000187828653 1140273191 /nfs/dbraw/zinc/27/31/91/1140273191.db2.gz BONCFAJZRSWWHU-RFAUZJTJSA-N 1 2 343.320 3.987 20 10 EHCDLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894593670 1022605361 /nfs/dbraw/zinc/60/53/61/1022605361.db2.gz WOUSJRBQZONXES-UHFFFAOYSA-N 1 2 349.352 3.904 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1cncs1 ZINC000897930283 1033242199 /nfs/dbraw/zinc/24/21/99/1033242199.db2.gz MGVFQAXGWSEGTJ-ZETCQYMHSA-N 1 2 331.210 3.601 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1cncs1 ZINC000897930282 1033244322 /nfs/dbraw/zinc/24/43/22/1033244322.db2.gz MGVFQAXGWSEGTJ-SSDOTTSWSA-N 1 2 331.210 3.601 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000895149437 1025129266 /nfs/dbraw/zinc/12/92/66/1025129266.db2.gz HBVIPBJMTZOWSR-GFCCVEGCSA-N 1 2 336.151 3.525 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000895149437 1025129271 /nfs/dbraw/zinc/12/92/71/1025129271.db2.gz HBVIPBJMTZOWSR-GFCCVEGCSA-N 1 2 336.151 3.525 20 10 EHCDLO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cccc(Cl)c1O ZINC000897521747 1028177024 /nfs/dbraw/zinc/17/70/24/1028177024.db2.gz IMQMUHCGHMLWKN-ZDUSSCGKSA-N 1 2 325.758 3.619 20 10 EHCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1O ZINC000092973803 1030538892 /nfs/dbraw/zinc/53/88/92/1030538892.db2.gz UNESZUSDEXWQOB-GOSISDBHSA-N 1 2 349.377 3.643 20 10 EHCDLO CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1O ZINC000092973803 1030538902 /nfs/dbraw/zinc/53/89/02/1030538902.db2.gz UNESZUSDEXWQOB-GOSISDBHSA-N 1 2 349.377 3.643 20 10 EHCDLO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Br)cc(F)c1O ZINC000527925295 1031416833 /nfs/dbraw/zinc/41/68/33/1031416833.db2.gz IWSKSCBSTNNPPG-WDEREUQCSA-N 1 2 346.240 3.761 20 10 EHCDLO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Br)c(F)cc1O ZINC000527932449 1031496546 /nfs/dbraw/zinc/49/65/46/1031496546.db2.gz TVPFAZXDZODSKR-GHMZBOCLSA-N 1 2 346.240 3.761 20 10 EHCDLO CN(C)c1cc(F)c(C[NH2+]Cc2cccc(Cl)c2O)cc1F ZINC000898216549 1033373620 /nfs/dbraw/zinc/37/36/20/1033373620.db2.gz YRNKINIVOCZYSG-UHFFFAOYSA-N 1 2 326.774 3.680 20 10 EHCDLO Cn1cc([C@H]([NH2+]Cc2cccc(Cl)c2O)c2ccc(F)cc2)cn1 ZINC000187527028 1035834018 /nfs/dbraw/zinc/83/40/18/1035834018.db2.gz VLRYXVXUVVPDEJ-QGZVFWFLSA-N 1 2 345.805 3.797 20 10 EHCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nc(-c2cccc(F)c2)no1 ZINC000237443903 1039367538 /nfs/dbraw/zinc/36/75/38/1039367538.db2.gz XHVDEDKGCSTVLA-GFCCVEGCSA-N 1 2 339.370 3.661 20 10 EHCDLO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756532769 1040072995 /nfs/dbraw/zinc/07/29/95/1040072995.db2.gz FQBOUVCHDQMQAD-GHMZBOCLSA-N 1 2 347.272 3.675 20 10 EHCDLO CSC1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000193825678 1041145965 /nfs/dbraw/zinc/14/59/65/1041145965.db2.gz FZEHJDWIZQQSBL-MRVPVSSYSA-N 1 2 334.254 3.840 20 10 EHCDLO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)c1cc(F)cc(F)c1O ZINC000765813764 1128435343 /nfs/dbraw/zinc/43/53/43/1128435343.db2.gz DWSBSZJKZDRFHG-TYILLQQXSA-N 1 2 346.421 3.842 20 10 EHCDLO Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1c[nH+]c2ccccn12 ZINC000133174117 1129936811 /nfs/dbraw/zinc/93/68/11/1129936811.db2.gz MNPMZHBJROEDSO-UKTHLTGXSA-N 1 2 348.431 3.667 20 10 EHCDLO COc1cc(C[N@@H+]2Cc3cccc(Br)c3C2)c(O)cc1C ZINC000769781816 1133345098 /nfs/dbraw/zinc/34/50/98/1133345098.db2.gz MKVCIFQLAWDLSM-UHFFFAOYSA-N 1 2 348.240 3.988 20 10 EHCDLO COc1cc(C[N@H+]2Cc3cccc(Br)c3C2)c(O)cc1C ZINC000769781816 1133345103 /nfs/dbraw/zinc/34/51/03/1133345103.db2.gz MKVCIFQLAWDLSM-UHFFFAOYSA-N 1 2 348.240 3.988 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)c1nc(-c2cccc(F)c2)no1 ZINC001181056837 1133444733 /nfs/dbraw/zinc/44/47/33/1133444733.db2.gz VNPNUHIRBQBSBW-VIFPVBQESA-N 1 2 349.312 3.710 20 10 EHCDLO CCC(C)(C)OC1C[NH+](Cc2c(O)cccc2Br)C1 ZINC001182918951 1133742757 /nfs/dbraw/zinc/74/27/57/1133742757.db2.gz SONPWONIMFQHPK-UHFFFAOYSA-N 1 2 328.250 3.544 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(CCF)CC1 ZINC001183249359 1133785948 /nfs/dbraw/zinc/78/59/48/1133785948.db2.gz YUZXIHMDCDAXDQ-UHFFFAOYSA-N 1 2 334.204 3.865 20 10 EHCDLO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C(C)(C)O ZINC000790703017 1134455251 /nfs/dbraw/zinc/45/52/51/1134455251.db2.gz WAWLRZOSYCBRTE-XPTSAGLGSA-N 1 2 348.256 3.740 20 10 EHCDLO CC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc(Cl)c1O ZINC000806159749 1135404205 /nfs/dbraw/zinc/40/42/05/1135404205.db2.gz LVSYYTVXVZMHGK-CQSZACIVSA-N 1 2 337.876 3.631 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](CC(=O)NC)c1ccccc1)c1cccc(Cl)c1O ZINC000806164271 1135406066 /nfs/dbraw/zinc/40/60/66/1135406066.db2.gz PHKPOYRBUFGCMU-SJORKVTESA-N 1 2 346.858 3.964 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2N(C)C)c1O ZINC000808785382 1135737177 /nfs/dbraw/zinc/73/71/77/1135737177.db2.gz DXENYCJNBYBVEW-UHFFFAOYSA-N 1 2 346.858 3.946 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccccc2N(C)C)c1O ZINC000808785382 1135737179 /nfs/dbraw/zinc/73/71/79/1135737179.db2.gz DXENYCJNBYBVEW-UHFFFAOYSA-N 1 2 346.858 3.946 20 10 EHCDLO C[C@@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccc(N(C)C)cc1 ZINC000775832053 1135789279 /nfs/dbraw/zinc/78/92/79/1135789279.db2.gz WPKGAYJOIUSQHC-OAHLLOKOSA-N 1 2 336.439 3.577 20 10 EHCDLO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C)c1 ZINC000809634686 1135863682 /nfs/dbraw/zinc/86/36/82/1135863682.db2.gz KYAVKAOXQRPFEE-BBRMVZONSA-N 1 2 337.460 3.808 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)cc1F ZINC000809720408 1135878214 /nfs/dbraw/zinc/87/82/14/1135878214.db2.gz BTMHEVZOGIRMKZ-KRWDZBQOSA-N 1 2 332.423 3.700 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)cc1F ZINC000809720408 1135878218 /nfs/dbraw/zinc/87/82/18/1135878218.db2.gz BTMHEVZOGIRMKZ-KRWDZBQOSA-N 1 2 332.423 3.700 20 10 EHCDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1Oc1ccccc1 ZINC000776005750 1135915793 /nfs/dbraw/zinc/91/57/93/1135915793.db2.gz DUVKSUGTGIZJHW-LMMKCTJWSA-N 1 2 347.842 3.760 20 10 EHCDLO CCC[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@@H+]1Cc1ccccc1 ZINC000776250391 1136101786 /nfs/dbraw/zinc/10/17/86/1136101786.db2.gz ILMZNHPQRHPJEN-MRXNPFEDSA-N 1 2 344.480 3.580 20 10 EHCDLO CCC[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@H+]1Cc1ccccc1 ZINC000776250391 1136101790 /nfs/dbraw/zinc/10/17/90/1136101790.db2.gz ILMZNHPQRHPJEN-MRXNPFEDSA-N 1 2 344.480 3.580 20 10 EHCDLO OC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(C(F)(F)F)cc1 ZINC000776253638 1136102174 /nfs/dbraw/zinc/10/21/74/1136102174.db2.gz MRYQRDGVQSKDMW-AWEZNQCLSA-N 1 2 345.748 3.888 20 10 EHCDLO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000812780207 1136246348 /nfs/dbraw/zinc/24/63/48/1136246348.db2.gz WKBLCAJGSAEGEZ-FQEVSTJZSA-N 1 2 345.870 3.863 20 10 EHCDLO OC[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000812780207 1136246350 /nfs/dbraw/zinc/24/63/50/1136246350.db2.gz WKBLCAJGSAEGEZ-FQEVSTJZSA-N 1 2 345.870 3.863 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cccc(Cl)c1O ZINC000850503187 1136273469 /nfs/dbraw/zinc/27/34/69/1136273469.db2.gz UZVLPUZGFOTPMI-FBUGYRFISA-N 1 2 329.893 3.776 20 10 EHCDLO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Br)c(F)cc1O ZINC000850570908 1136289097 /nfs/dbraw/zinc/28/90/97/1136289097.db2.gz JXFKEESFYOCFDM-ZJUUUORDSA-N 1 2 346.240 3.760 20 10 EHCDLO COCC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000813882526 1136372633 /nfs/dbraw/zinc/37/26/33/1136372633.db2.gz AOQRWBXKHSYAGT-SECBINFHSA-N 1 2 334.229 3.617 20 10 EHCDLO COCC1([NH2+]Cc2cccc(Br)c2O)CCCCC1 ZINC000853091565 1136507637 /nfs/dbraw/zinc/50/76/37/1136507637.db2.gz WEGNAUMYCRMKBO-UHFFFAOYSA-N 1 2 328.250 3.594 20 10 EHCDLO Cc1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)ccc1N(C)C ZINC000815087937 1136549454 /nfs/dbraw/zinc/54/94/54/1136549454.db2.gz UZSORGKXFAXRPA-UHFFFAOYSA-N 1 2 346.478 3.805 20 10 EHCDLO Cc1cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)ccc1N(C)C ZINC000815087937 1136549456 /nfs/dbraw/zinc/54/94/56/1136549456.db2.gz UZSORGKXFAXRPA-UHFFFAOYSA-N 1 2 346.478 3.805 20 10 EHCDLO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816537306 1136731277 /nfs/dbraw/zinc/73/12/77/1136731277.db2.gz ZJZZPKXKWKZSBO-OAHLLOKOSA-N 1 2 325.815 3.586 20 10 EHCDLO C[C@@H](CC[NH2+]Cc1cc(Cl)c(F)cc1O)NC(=O)OC(C)(C)C ZINC000816548904 1136732339 /nfs/dbraw/zinc/73/23/39/1136732339.db2.gz XBVMVZOXIWALHU-JTQLQIEISA-N 1 2 346.830 3.578 20 10 EHCDLO CC[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cccc(Cl)c1O ZINC000817975155 1136854500 /nfs/dbraw/zinc/85/45/00/1136854500.db2.gz RDWPXSJPXZCTAA-ZWKOTPCHSA-N 1 2 330.859 3.973 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1Cl ZINC000824820065 1137153939 /nfs/dbraw/zinc/15/39/39/1137153939.db2.gz ZBFJPGIISWNSQG-SFHVURJKSA-N 1 2 333.815 3.633 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1Cl ZINC000824820065 1137153940 /nfs/dbraw/zinc/15/39/40/1137153940.db2.gz ZBFJPGIISWNSQG-SFHVURJKSA-N 1 2 333.815 3.633 20 10 EHCDLO C[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1F ZINC000846017815 1137326243 /nfs/dbraw/zinc/32/62/43/1137326243.db2.gz QLOXQFPDYJIISZ-RFAUZJTJSA-N 1 2 327.758 3.536 20 10 EHCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)OCC23CCC3)c1 ZINC000846067411 1137332375 /nfs/dbraw/zinc/33/23/75/1137332375.db2.gz RSVZRPDXHZVCAS-LBPRGKRZSA-N 1 2 340.261 3.607 20 10 EHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)OCC23CCC3)c1 ZINC000846067411 1137332376 /nfs/dbraw/zinc/33/23/76/1137332376.db2.gz RSVZRPDXHZVCAS-LBPRGKRZSA-N 1 2 340.261 3.607 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Br)cc(Cl)c1O ZINC000846191994 1137341039 /nfs/dbraw/zinc/34/10/39/1137341039.db2.gz YYZLDPBNGMNFIV-HLXLPKMUSA-N 1 2 346.652 3.779 20 10 EHCDLO CCCOc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1C ZINC000873134124 1137591073 /nfs/dbraw/zinc/59/10/73/1137591073.db2.gz OEZBWMSKPXUPSJ-ZDUSSCGKSA-N 1 2 348.468 3.878 20 10 EHCDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2O)c1C ZINC000179578329 1139766000 /nfs/dbraw/zinc/76/60/00/1139766000.db2.gz COSMGVOGZGQKBS-UHFFFAOYSA-N 1 2 332.831 3.733 20 10 EHCDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2O)c1C ZINC000179578329 1139766008 /nfs/dbraw/zinc/76/60/08/1139766008.db2.gz COSMGVOGZGQKBS-UHFFFAOYSA-N 1 2 332.831 3.733 20 10 EHCDLO COc1ccc(O)c(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c1 ZINC000180572434 1139847091 /nfs/dbraw/zinc/84/70/91/1139847091.db2.gz IUDFCMYPIFMDHD-UHFFFAOYSA-N 1 2 332.347 3.508 20 10 EHCDLO COc1ccc(O)c(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c1 ZINC000180572434 1139847101 /nfs/dbraw/zinc/84/71/01/1139847101.db2.gz IUDFCMYPIFMDHD-UHFFFAOYSA-N 1 2 332.347 3.508 20 10 EHCDLO COC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ccc(F)c(F)c1 ZINC000187828622 1140272929 /nfs/dbraw/zinc/27/29/29/1140272929.db2.gz BONCFAJZRSWWHU-BJOHPYRUSA-N 1 2 343.320 3.987 20 10 EHCDLO CC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H]1CCCOC1 ZINC000723952661 1022767090 /nfs/dbraw/zinc/76/70/90/1022767090.db2.gz BYMGRQUXJFHHCP-YGRLFVJLSA-N 1 2 346.240 3.589 20 10 EHCDLO CC1([NH+]2CCC2)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000895672008 1024716733 /nfs/dbraw/zinc/71/67/33/1024716733.db2.gz SUAGGGOAHLDTAV-UHFFFAOYSA-N 1 2 329.271 3.759 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896812461 1026058858 /nfs/dbraw/zinc/05/88/58/1026058858.db2.gz VDXIWMJUFZVSDR-PWSUYJOCSA-N 1 2 341.732 3.774 20 10 EHCDLO CCCN(Cc1ccccc1O)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301909627 1026991257 /nfs/dbraw/zinc/99/12/57/1026991257.db2.gz FRZOZMBFGXBARJ-UHFFFAOYSA-N 1 2 339.443 3.704 20 10 EHCDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000302435268 1027153813 /nfs/dbraw/zinc/15/38/13/1027153813.db2.gz QINWSCUAVNHYOD-CYBMUJFWSA-N 1 2 338.459 3.820 20 10 EHCDLO COc1ccc(O)c([C@@H](C)[NH2+]C2(c3noc(C)n3)CCCCC2)c1 ZINC000273476539 1027446637 /nfs/dbraw/zinc/44/66/37/1027446637.db2.gz KVLUAWCAFPPRIJ-GFCCVEGCSA-N 1 2 331.416 3.602 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000129624437 1027584403 /nfs/dbraw/zinc/58/44/03/1027584403.db2.gz BBIDVJNFSKPOQL-SJCJKPOMSA-N 1 2 347.846 3.528 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000129624437 1027584415 /nfs/dbraw/zinc/58/44/15/1027584415.db2.gz BBIDVJNFSKPOQL-SJCJKPOMSA-N 1 2 347.846 3.528 20 10 EHCDLO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000897521475 1028162656 /nfs/dbraw/zinc/16/26/56/1028162656.db2.gz GWCHWEVJZWUIQO-ZDUSSCGKSA-N 1 2 343.748 3.758 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000898167932 1033365883 /nfs/dbraw/zinc/36/58/83/1033365883.db2.gz QNSPZJRFJSVQEM-AWEZNQCLSA-N 1 2 347.821 3.564 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000898167932 1033365896 /nfs/dbraw/zinc/36/58/96/1033365896.db2.gz QNSPZJRFJSVQEM-AWEZNQCLSA-N 1 2 347.821 3.564 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000898219859 1033375001 /nfs/dbraw/zinc/37/50/01/1033375001.db2.gz OFEPXPKGCYCVNI-KRWDZBQOSA-N 1 2 347.842 3.893 20 10 EHCDLO COc1cc(C)cc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c1O ZINC000164439649 1035610511 /nfs/dbraw/zinc/61/05/11/1035610511.db2.gz QIACBJWJOJJPED-UHFFFAOYSA-N 1 2 346.374 3.817 20 10 EHCDLO COc1cc(C)cc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c1O ZINC000164439649 1035610517 /nfs/dbraw/zinc/61/05/17/1035610517.db2.gz QIACBJWJOJJPED-UHFFFAOYSA-N 1 2 346.374 3.817 20 10 EHCDLO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756676513 1041838805 /nfs/dbraw/zinc/83/88/05/1041838805.db2.gz MFSKMQCRRNCJPZ-ISTVAULSSA-N 1 2 327.396 3.895 20 10 EHCDLO CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]Cc1ccccc1O ZINC000763369797 1122146638 /nfs/dbraw/zinc/14/66/38/1122146638.db2.gz HMKSDGDXJADZLH-HXUWFJFHSA-N 1 2 349.430 3.809 20 10 EHCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155167755 1123270508 /nfs/dbraw/zinc/27/05/08/1123270508.db2.gz NNJLENWJXKALCU-UHFFFAOYSA-N 1 2 342.468 3.514 20 10 EHCDLO CN(C)c1cc(F)c(C[NH2+]Cc2nc3c(s2)CCCC3)cc1F ZINC000922700049 1129631613 /nfs/dbraw/zinc/63/16/13/1129631613.db2.gz LSNREDKDJUMUIT-UHFFFAOYSA-N 1 2 337.439 3.656 20 10 EHCDLO CCOC1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000703801364 1130392607 /nfs/dbraw/zinc/39/26/07/1130392607.db2.gz WSXZZVQPEIRMKM-UHFFFAOYSA-N 1 2 328.250 3.592 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000734358782 1131224910 /nfs/dbraw/zinc/22/49/10/1131224910.db2.gz NYMYUGQGNRYXNM-UHFFFAOYSA-N 1 2 348.450 3.721 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000741740289 1131641376 /nfs/dbraw/zinc/64/13/76/1131641376.db2.gz POLPHQVMZUYXLJ-UHFFFAOYSA-N 1 2 330.391 3.994 20 10 EHCDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768173454 1133104997 /nfs/dbraw/zinc/10/49/97/1133104997.db2.gz VQKGEOHPTMHFHV-DOTOQJQBSA-N 1 2 347.459 3.584 20 10 EHCDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768173454 1133105000 /nfs/dbraw/zinc/10/50/00/1133105000.db2.gz VQKGEOHPTMHFHV-DOTOQJQBSA-N 1 2 347.459 3.584 20 10 EHCDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC000769310904 1133258271 /nfs/dbraw/zinc/25/82/71/1133258271.db2.gz KIJHUENHPGZRCX-LJQANCHMSA-N 1 2 349.377 3.643 20 10 EHCDLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC000769310904 1133258279 /nfs/dbraw/zinc/25/82/79/1133258279.db2.gz KIJHUENHPGZRCX-LJQANCHMSA-N 1 2 349.377 3.643 20 10 EHCDLO Oc1ccc(Cl)cc1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001203665617 1134362785 /nfs/dbraw/zinc/36/27/85/1134362785.db2.gz PMQGSPKZNPTFKT-INIZCTEOSA-N 1 2 344.833 3.741 20 10 EHCDLO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(Br)c(F)cc1O ZINC000790497186 1134425832 /nfs/dbraw/zinc/42/58/32/1134425832.db2.gz LMGSMOLYWGIHNM-BDAKNGLRSA-N 1 2 334.254 3.698 20 10 EHCDLO CCN(CC)c1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1F ZINC000756130663 1134596525 /nfs/dbraw/zinc/59/65/25/1134596525.db2.gz DWTVLHHZWVBRFR-UHFFFAOYSA-N 1 2 336.480 3.937 20 10 EHCDLO COc1c(C)c[nH+]c(CN(C)Cc2c(O)ccc(Cl)c2F)c1C ZINC000792173354 1134662487 /nfs/dbraw/zinc/66/24/87/1134662487.db2.gz BWAVWCQMSVALCO-UHFFFAOYSA-N 1 2 338.810 3.837 20 10 EHCDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175200 1134663126 /nfs/dbraw/zinc/66/31/26/1134663126.db2.gz OWCMZPJOEUPPMS-GFCCVEGCSA-N 1 2 343.826 3.738 20 10 EHCDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175200 1134663130 /nfs/dbraw/zinc/66/31/30/1134663130.db2.gz OWCMZPJOEUPPMS-GFCCVEGCSA-N 1 2 343.826 3.738 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CNc1cc[nH+]cc1Br ZINC000792689496 1134780094 /nfs/dbraw/zinc/78/00/94/1134780094.db2.gz YXUHPNDYUGFNEW-UHFFFAOYSA-N 1 2 348.027 3.891 20 10 EHCDLO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000793602609 1134968058 /nfs/dbraw/zinc/96/80/58/1134968058.db2.gz ZGRFOVUOPATWCK-JTQLQIEISA-N 1 2 346.830 3.578 20 10 EHCDLO COCc1cnc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000775634767 1135365017 /nfs/dbraw/zinc/36/50/17/1135365017.db2.gz WUJOAAFPANSQJO-UHFFFAOYSA-N 1 2 345.512 3.912 20 10 EHCDLO COCc1cnc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000775634767 1135365025 /nfs/dbraw/zinc/36/50/25/1135365025.db2.gz WUJOAAFPANSQJO-UHFFFAOYSA-N 1 2 345.512 3.912 20 10 EHCDLO C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000806179410 1135412231 /nfs/dbraw/zinc/41/22/31/1135412231.db2.gz CUEWHDWTKKQUIR-CMPLNLGQSA-N 1 2 341.785 3.751 20 10 EHCDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775679271 1135503654 /nfs/dbraw/zinc/50/36/54/1135503654.db2.gz TXBWBWRLGYINQF-UHFFFAOYSA-N 1 2 343.826 3.738 20 10 EHCDLO C[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000775691872 1135531769 /nfs/dbraw/zinc/53/17/69/1135531769.db2.gz HPGRZKVITVFBCM-MRVPVSSYSA-N 1 2 349.066 3.902 20 10 EHCDLO C[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000775691872 1135531771 /nfs/dbraw/zinc/53/17/71/1135531771.db2.gz HPGRZKVITVFBCM-MRVPVSSYSA-N 1 2 349.066 3.902 20 10 EHCDLO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000775723063 1135574201 /nfs/dbraw/zinc/57/42/01/1135574201.db2.gz CBXPYGATUCEJLD-MRXNPFEDSA-N 1 2 337.822 3.958 20 10 EHCDLO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000775723063 1135574206 /nfs/dbraw/zinc/57/42/06/1135574206.db2.gz CBXPYGATUCEJLD-MRXNPFEDSA-N 1 2 337.822 3.958 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000775786352 1135734120 /nfs/dbraw/zinc/73/41/20/1135734120.db2.gz SXCCHYQOUHDIEY-HNNXBMFYSA-N 1 2 338.810 3.704 20 10 EHCDLO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000809724351 1135878873 /nfs/dbraw/zinc/87/88/73/1135878873.db2.gz IJXWVZINGFQUSD-NHYWBVRUSA-N 1 2 329.271 3.758 20 10 EHCDLO CCN(CC)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)Cc1ccccc1 ZINC001199189363 1135885483 /nfs/dbraw/zinc/88/54/83/1135885483.db2.gz LBRUBSYTISEOPF-SFHVURJKSA-N 1 2 348.437 3.713 20 10 EHCDLO COc1c(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000809782758 1135890953 /nfs/dbraw/zinc/89/09/53/1135890953.db2.gz GJPIDRSXPKVTEJ-MRXNPFEDSA-N 1 2 348.424 3.954 20 10 EHCDLO COc1c(O)c(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000809782758 1135890955 /nfs/dbraw/zinc/89/09/55/1135890955.db2.gz GJPIDRSXPKVTEJ-MRXNPFEDSA-N 1 2 348.424 3.954 20 10 EHCDLO COC(=O)c1ccc(Nc2ccc([NH2+]C(C)C)cc2)c(C(=O)OC)c1 ZINC001201500243 1136028604 /nfs/dbraw/zinc/02/86/04/1136028604.db2.gz WCSBAOIGFPSDSB-UHFFFAOYSA-N 1 2 342.395 3.824 20 10 EHCDLO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)ccc1N(C)C ZINC000815096427 1136555777 /nfs/dbraw/zinc/55/57/77/1136555777.db2.gz PPKSJBHNGOJZDC-FQEVSTJZSA-N 1 2 346.421 3.913 20 10 EHCDLO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)ccc1N(C)C ZINC000815096427 1136555780 /nfs/dbraw/zinc/55/57/80/1136555780.db2.gz PPKSJBHNGOJZDC-FQEVSTJZSA-N 1 2 346.421 3.913 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cc1Cl ZINC000857878380 1136917182 /nfs/dbraw/zinc/91/71/82/1136917182.db2.gz ZNLLETWWUKPGBV-UHFFFAOYSA-N 1 2 331.847 3.826 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2CCc3nc(C(C)C)ncc3C2)cc1Cl ZINC000857878380 1136917186 /nfs/dbraw/zinc/91/71/86/1136917186.db2.gz ZNLLETWWUKPGBV-UHFFFAOYSA-N 1 2 331.847 3.826 20 10 EHCDLO COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2O)OC)c1 ZINC000858442350 1136968070 /nfs/dbraw/zinc/96/80/70/1136968070.db2.gz GHAHPJMIQAOEFY-PIGZYNQJSA-N 1 2 337.366 3.717 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893609 1137156057 /nfs/dbraw/zinc/15/60/57/1137156057.db2.gz WTBHKZGFPWPGLX-ZBFHGGJFSA-N 1 2 339.838 3.966 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893609 1137156058 /nfs/dbraw/zinc/15/60/58/1137156058.db2.gz WTBHKZGFPWPGLX-ZBFHGGJFSA-N 1 2 339.838 3.966 20 10 EHCDLO CC(C)Oc1cc(NCc2cc(Br)ccc2O)cc[nH+]1 ZINC001171175879 1137288191 /nfs/dbraw/zinc/28/81/91/1137288191.db2.gz SMGYGGOCVAXDOM-UHFFFAOYSA-N 1 2 337.217 3.949 20 10 EHCDLO CC(C)n1cc(C2=CCC[N@H+](Cc3ccc(F)c(F)c3O)CC2)nn1 ZINC000877564899 1137681365 /nfs/dbraw/zinc/68/13/65/1137681365.db2.gz PEVLVRSEIUFEON-UHFFFAOYSA-N 1 2 348.397 3.522 20 10 EHCDLO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccc(F)c(F)c3O)CC2)nn1 ZINC000877564899 1137681366 /nfs/dbraw/zinc/68/13/66/1137681366.db2.gz PEVLVRSEIUFEON-UHFFFAOYSA-N 1 2 348.397 3.522 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H](C(F)(F)F)O1 ZINC000877825157 1137692301 /nfs/dbraw/zinc/69/23/01/1137692301.db2.gz XSVYZXQIVJGGGZ-PRHODGIISA-N 1 2 341.732 3.726 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H](C(F)(F)F)O1 ZINC000877825157 1137692302 /nfs/dbraw/zinc/69/23/02/1137692302.db2.gz XSVYZXQIVJGGGZ-PRHODGIISA-N 1 2 341.732 3.726 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000883109380 1137844892 /nfs/dbraw/zinc/84/48/92/1137844892.db2.gz OORSDTPKMWKCMK-MRVPVSSYSA-N 1 2 338.167 3.819 20 10 EHCDLO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCOC1)c1cccc(Cl)c1O ZINC000886788962 1138140582 /nfs/dbraw/zinc/14/05/82/1138140582.db2.gz LOXXKQODQIABIV-KCXAZCMYSA-N 1 2 327.852 3.528 20 10 EHCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2noc(-c3ccccc3C)n2)c1 ZINC000182450646 1139973133 /nfs/dbraw/zinc/97/31/33/1139973133.db2.gz OYGUPUWNODLNBD-ZDUSSCGKSA-N 1 2 339.395 3.610 20 10 EHCDLO COc1cccc(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c1O ZINC000185643553 1140159981 /nfs/dbraw/zinc/15/99/81/1140159981.db2.gz VWFCJDLQRFFFOT-KRWDZBQOSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cccc(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c1O ZINC000185643553 1140159983 /nfs/dbraw/zinc/15/99/83/1140159983.db2.gz VWFCJDLQRFFFOT-KRWDZBQOSA-N 1 2 333.815 3.628 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000777441265 1140284289 /nfs/dbraw/zinc/28/42/89/1140284289.db2.gz BQZWVACSAFXOAE-CQSZACIVSA-N 1 2 343.826 3.740 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718101 1032729005 /nfs/dbraw/zinc/72/90/05/1032729005.db2.gz PLJMHTWCYNZJQD-UHFFFAOYSA-N 1 2 342.183 3.765 20 10 EHCDLO C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000834901825 1021082615 /nfs/dbraw/zinc/08/26/15/1021082615.db2.gz DCIRSSRBRJZKMS-GHMZBOCLSA-N 1 2 346.240 3.761 20 10 EHCDLO COC1CCC([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000840792759 1026307107 /nfs/dbraw/zinc/30/71/07/1026307107.db2.gz QACMRMCKEFNZAR-GCVQQVDUSA-N 1 2 346.240 3.902 20 10 EHCDLO Cc1cc(N(C)C)ccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301851349 1026964286 /nfs/dbraw/zinc/96/42/86/1026964286.db2.gz ALVMFKQCFOEJPM-UHFFFAOYSA-N 1 2 338.459 3.568 20 10 EHCDLO Cc1ncsc1C[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894002467 1039958021 /nfs/dbraw/zinc/95/80/21/1039958021.db2.gz PKACCAAFGNSXSG-UHFFFAOYSA-N 1 2 345.237 3.691 20 10 EHCDLO Cc1ncsc1C[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894002467 1039958035 /nfs/dbraw/zinc/95/80/35/1039958035.db2.gz PKACCAAFGNSXSG-UHFFFAOYSA-N 1 2 345.237 3.691 20 10 EHCDLO COC1CCC([N@H+](C)Cc2cc(Br)cc(F)c2O)CC1 ZINC000894026129 1039992925 /nfs/dbraw/zinc/99/29/25/1039992925.db2.gz IJJXCOJCPZLTBX-UHFFFAOYSA-N 1 2 346.240 3.683 20 10 EHCDLO COC1CCC([N@@H+](C)Cc2cc(Br)cc(F)c2O)CC1 ZINC000894026129 1039992935 /nfs/dbraw/zinc/99/29/35/1039992935.db2.gz IJJXCOJCPZLTBX-UHFFFAOYSA-N 1 2 346.240 3.683 20 10 EHCDLO CCC1(O)CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000894049614 1040009524 /nfs/dbraw/zinc/00/95/24/1040009524.db2.gz HWZCMIDFIIXCSC-UHFFFAOYSA-N 1 2 348.668 3.545 20 10 EHCDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000279836397 1044719625 /nfs/dbraw/zinc/71/96/25/1044719625.db2.gz HEFACRINLSAUCG-VIFPVBQESA-N 1 2 344.406 3.782 20 10 EHCDLO C[C@@H]1[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C(=O)OC(C)(C)C ZINC000700745110 1130066461 /nfs/dbraw/zinc/06/64/61/1130066461.db2.gz KLCQXTTWYCXALB-RISCZKNCSA-N 1 2 340.851 3.533 20 10 EHCDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768173468 1133104896 /nfs/dbraw/zinc/10/48/96/1133104896.db2.gz VQKGEOHPTMHFHV-WBVHZDCISA-N 1 2 347.459 3.584 20 10 EHCDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768173468 1133104898 /nfs/dbraw/zinc/10/48/98/1133104898.db2.gz VQKGEOHPTMHFHV-WBVHZDCISA-N 1 2 347.459 3.584 20 10 EHCDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1c(O)cccc1Cl ZINC000768207787 1133107703 /nfs/dbraw/zinc/10/77/03/1133107703.db2.gz IVAQKCDEDRAKGG-UHFFFAOYSA-N 1 2 327.815 3.863 20 10 EHCDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1c(O)cccc1Cl ZINC000768207787 1133107706 /nfs/dbraw/zinc/10/77/06/1133107706.db2.gz IVAQKCDEDRAKGG-UHFFFAOYSA-N 1 2 327.815 3.863 20 10 EHCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000768531256 1133151090 /nfs/dbraw/zinc/15/10/90/1133151090.db2.gz WAUXSOCGVAEQOY-GOSISDBHSA-N 1 2 333.815 3.628 20 10 EHCDLO COc1cccc(O)c1C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000768531256 1133151093 /nfs/dbraw/zinc/15/10/93/1133151093.db2.gz WAUXSOCGVAEQOY-GOSISDBHSA-N 1 2 333.815 3.628 20 10 EHCDLO Cc1[nH+]c(NCc2c(O)cccc2Cl)ccc1-c1cnn(C)c1 ZINC001178778567 1133201937 /nfs/dbraw/zinc/20/19/37/1133201937.db2.gz QETKWOGLNLKBCC-UHFFFAOYSA-N 1 2 328.803 3.762 20 10 EHCDLO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000769314310 1133260160 /nfs/dbraw/zinc/26/01/60/1133260160.db2.gz XIGYSWNIAVHICT-ZDUSSCGKSA-N 1 2 326.227 3.733 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1ncc(Cl)s1)C[C@H]1CCCO1 ZINC000770609185 1133453025 /nfs/dbraw/zinc/45/30/25/1133453025.db2.gz ALTRFTQFFYYKMT-CYBMUJFWSA-N 1 2 338.860 3.683 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1ncc(Cl)s1)C[C@H]1CCCO1 ZINC000770609185 1133453029 /nfs/dbraw/zinc/45/30/29/1133453029.db2.gz ALTRFTQFFYYKMT-CYBMUJFWSA-N 1 2 338.860 3.683 20 10 EHCDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001181622125 1133507057 /nfs/dbraw/zinc/50/70/57/1133507057.db2.gz PNFJKCKPPNXADK-CQSZACIVSA-N 1 2 349.377 3.722 20 10 EHCDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001181622125 1133507061 /nfs/dbraw/zinc/50/70/61/1133507061.db2.gz PNFJKCKPPNXADK-CQSZACIVSA-N 1 2 349.377 3.722 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CC(Cc2ccoc2)C1 ZINC001184197185 1133905625 /nfs/dbraw/zinc/90/56/25/1133905625.db2.gz MWEZRVGNCZAIFE-UHFFFAOYSA-N 1 2 340.192 3.561 20 10 EHCDLO CCC(O)(CC)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000788260442 1134102529 /nfs/dbraw/zinc/10/25/29/1134102529.db2.gz ANCMSXDMMHADRX-SNVBAGLBSA-N 1 2 348.256 3.886 20 10 EHCDLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)oc1C ZINC000775644437 1135384262 /nfs/dbraw/zinc/38/42/62/1135384262.db2.gz GSLAGLVSLAGONP-UHFFFAOYSA-N 1 2 341.766 3.505 20 10 EHCDLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)oc1C ZINC000775644437 1135384268 /nfs/dbraw/zinc/38/42/68/1135384268.db2.gz GSLAGLVSLAGONP-UHFFFAOYSA-N 1 2 341.766 3.505 20 10 EHCDLO CC[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc(Cl)c1O ZINC000806162969 1135405006 /nfs/dbraw/zinc/40/50/06/1135405006.db2.gz KGSNGWPIOHMCBZ-INIZCTEOSA-N 1 2 342.830 3.867 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000775661423 1135434309 /nfs/dbraw/zinc/43/43/09/1135434309.db2.gz NNFPOLXXRFXEOW-HNNXBMFYSA-N 1 2 339.794 3.959 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000775661423 1135434311 /nfs/dbraw/zinc/43/43/11/1135434311.db2.gz NNFPOLXXRFXEOW-HNNXBMFYSA-N 1 2 339.794 3.959 20 10 EHCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000775695851 1135532622 /nfs/dbraw/zinc/53/26/22/1135532622.db2.gz DRHRIKHXUNJADR-UHFFFAOYSA-N 1 2 338.785 3.646 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000775726873 1135583842 /nfs/dbraw/zinc/58/38/42/1135583842.db2.gz ZLIKFPDLWDRYHB-UHFFFAOYSA-N 1 2 327.827 3.823 20 10 EHCDLO C[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccc(N(C)C)cc1 ZINC000775830233 1135787496 /nfs/dbraw/zinc/78/74/96/1135787496.db2.gz FQAUBRDNAIDJLC-GFCCVEGCSA-N 1 2 328.441 3.715 20 10 EHCDLO Cc1ccccc1-c1nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775833175 1135790502 /nfs/dbraw/zinc/79/05/02/1135790502.db2.gz HGFXWSWGSHSIIA-HNNXBMFYSA-N 1 2 336.439 3.962 20 10 EHCDLO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000809703514 1135874439 /nfs/dbraw/zinc/87/44/39/1135874439.db2.gz LKQFEYYIGOYQNJ-FZMZJTMJSA-N 1 2 329.271 3.758 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2c(F)cc(S(C)(=O)=O)cc2F)cc1 ZINC001201499872 1136028642 /nfs/dbraw/zinc/02/86/42/1136028642.db2.gz RVFJDOHFYFWGDO-UHFFFAOYSA-N 1 2 340.395 3.932 20 10 EHCDLO CC(C)[NH2+]c1ccc(Nc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC001201496937 1136028815 /nfs/dbraw/zinc/02/88/15/1136028815.db2.gz BIHWQRNHDGGVDM-UHFFFAOYSA-N 1 2 333.457 3.501 20 10 EHCDLO Cn1ccnc1C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000776217764 1136070193 /nfs/dbraw/zinc/07/01/93/1136070193.db2.gz AFONUERQVNCUTO-KRWDZBQOSA-N 1 2 341.842 3.853 20 10 EHCDLO CC(C)(C)OC(=O)CCCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776256094 1136113010 /nfs/dbraw/zinc/11/30/10/1136113010.db2.gz KAYONLQZPLJZRV-UHFFFAOYSA-N 1 2 331.815 3.786 20 10 EHCDLO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Br)cc(F)c1O ZINC000850536981 1136281443 /nfs/dbraw/zinc/28/14/43/1136281443.db2.gz PUWZHPBYJXBMIL-JMCQJSRRSA-N 1 2 338.167 3.990 20 10 EHCDLO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850579317 1136291933 /nfs/dbraw/zinc/29/19/33/1136291933.db2.gz UIAUZMDKANFHJP-QWRGUYRKSA-N 1 2 344.402 3.576 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000814178386 1136412302 /nfs/dbraw/zinc/41/23/02/1136412302.db2.gz NUNLBWLHFSPQPW-ZDUSSCGKSA-N 1 2 338.785 3.692 20 10 EHCDLO COc1ccccc1C[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000748050624 1136689762 /nfs/dbraw/zinc/68/97/62/1136689762.db2.gz ICWUUWIUSGMSMA-UHFFFAOYSA-N 1 2 343.398 3.907 20 10 EHCDLO COc1ccccc1C[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000748050624 1136689763 /nfs/dbraw/zinc/68/97/63/1136689763.db2.gz ICWUUWIUSGMSMA-UHFFFAOYSA-N 1 2 343.398 3.907 20 10 EHCDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816502438 1136727559 /nfs/dbraw/zinc/72/75/59/1136727559.db2.gz AWCBFEIZLWOEPC-UHFFFAOYSA-N 1 2 343.826 3.738 20 10 EHCDLO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559833 1136736720 /nfs/dbraw/zinc/73/67/20/1136736720.db2.gz WIWLDFKFQWLQRA-QFYYESIMSA-N 1 2 341.785 3.926 20 10 EHCDLO Cc1c(Cl)c(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)nn1C ZINC000817407250 1136805164 /nfs/dbraw/zinc/80/51/64/1136805164.db2.gz HDSXKUWIMZWVKC-UHFFFAOYSA-N 1 2 346.906 3.908 20 10 EHCDLO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)cc(F)c1O ZINC000857080536 1136842745 /nfs/dbraw/zinc/84/27/45/1136842745.db2.gz ICTUMTYXAYVJHE-SFYZADRCSA-N 1 2 338.167 3.990 20 10 EHCDLO CCc1cnc(C[N@@H+](C)Cc2ccc(Br)cc2O)s1 ZINC000824894195 1137156045 /nfs/dbraw/zinc/15/60/45/1137156045.db2.gz BYJFDGWTIBQMKK-UHFFFAOYSA-N 1 2 341.274 3.806 20 10 EHCDLO CCc1cnc(C[N@H+](C)Cc2ccc(Br)cc2O)s1 ZINC000824894195 1137156044 /nfs/dbraw/zinc/15/60/44/1137156044.db2.gz BYJFDGWTIBQMKK-UHFFFAOYSA-N 1 2 341.274 3.806 20 10 EHCDLO COc1c(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000825104483 1137163561 /nfs/dbraw/zinc/16/35/61/1137163561.db2.gz XYYAOSXRGHJKCT-KRWDZBQOSA-N 1 2 344.367 3.629 20 10 EHCDLO COc1c(O)c(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000825104483 1137163562 /nfs/dbraw/zinc/16/35/62/1137163562.db2.gz XYYAOSXRGHJKCT-KRWDZBQOSA-N 1 2 344.367 3.629 20 10 EHCDLO C[C@@]1(CC[NH2+]Cc2cccc(Br)c2O)C[C@@]1(F)Cl ZINC000846039064 1137329103 /nfs/dbraw/zinc/32/91/03/1137329103.db2.gz SRXADHXDSYCTGF-OLZOCXBDSA-N 1 2 336.632 3.949 20 10 EHCDLO Oc1c(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)ccc(F)c1F ZINC000876978772 1137666884 /nfs/dbraw/zinc/66/68/84/1137666884.db2.gz OWHRQXQJNHSGEU-DOTOQJQBSA-N 1 2 337.341 3.819 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000877478706 1137677680 /nfs/dbraw/zinc/67/76/80/1137677680.db2.gz KBHQPHPZSZZJQP-CQSZACIVSA-N 1 2 347.256 3.587 20 10 EHCDLO Cc1cc(O)c(C[N@H+](C)Cc2csc(C(C)(C)O)n2)cc1Cl ZINC000826097232 1137741313 /nfs/dbraw/zinc/74/13/13/1137741313.db2.gz VLLRKQOEGRUWTC-UHFFFAOYSA-N 1 2 340.876 3.670 20 10 EHCDLO Cc1cc(O)c(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)cc1Cl ZINC000826097232 1137741314 /nfs/dbraw/zinc/74/13/14/1137741314.db2.gz VLLRKQOEGRUWTC-UHFFFAOYSA-N 1 2 340.876 3.670 20 10 EHCDLO COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccc(C)o1 ZINC000184697408 1140115895 /nfs/dbraw/zinc/11/58/95/1140115895.db2.gz ATSRPBQYEOMTLC-HNNXBMFYSA-N 1 2 337.803 3.627 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000777441801 1140299275 /nfs/dbraw/zinc/29/92/75/1140299275.db2.gz LOSSADBZSALKND-AWEZNQCLSA-N 1 2 325.836 3.601 20 10 EHCDLO CC(C)(C)c1cnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000069917576 1020811667 /nfs/dbraw/zinc/81/16/67/1020811667.db2.gz WFZXTJUPLFFYFG-INIZCTEOSA-N 1 2 344.455 3.859 20 10 EHCDLO CC(C)(C)c1cnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000069917576 1020811672 /nfs/dbraw/zinc/81/16/72/1020811672.db2.gz WFZXTJUPLFFYFG-INIZCTEOSA-N 1 2 344.455 3.859 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000896812462 1026058732 /nfs/dbraw/zinc/05/87/32/1026058732.db2.gz VDXIWMJUFZVSDR-ZYHUDNBSSA-N 1 2 341.732 3.774 20 10 EHCDLO CCc1cc(C[NH2+]C(C)(C)c2noc(C)n2)c(O)c(C(C)(C)C)c1 ZINC000729851601 1030836640 /nfs/dbraw/zinc/83/66/40/1030836640.db2.gz SCOCFMZQVOLEJB-UHFFFAOYSA-N 1 2 331.460 3.968 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000898218193 1033373709 /nfs/dbraw/zinc/37/37/09/1033373709.db2.gz AIEVQGBCQKCQCE-UHFFFAOYSA-N 1 2 327.758 3.979 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]CCCOc1ccccc1 ZINC000052092167 1034867996 /nfs/dbraw/zinc/86/79/96/1034867996.db2.gz IPEIZUMEWCEIFP-UHFFFAOYSA-N 1 2 336.229 3.713 20 10 EHCDLO CN(C)c1[nH+]cc(CN(C)c2ccc3c(c2)OCO3)c2ccccc21 ZINC001168215097 1037674108 /nfs/dbraw/zinc/67/41/08/1037674108.db2.gz OVLMAPTVZNTFCZ-UHFFFAOYSA-N 1 2 335.407 3.666 20 10 EHCDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(F)cc(F)c1O ZINC000894055366 1040017937 /nfs/dbraw/zinc/01/79/37/1040017937.db2.gz ZQCDYKSOIGRMBX-UHFFFAOYSA-N 1 2 348.393 3.748 20 10 EHCDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(F)cc(F)c1O ZINC000894055366 1040017954 /nfs/dbraw/zinc/01/79/54/1040017954.db2.gz ZQCDYKSOIGRMBX-UHFFFAOYSA-N 1 2 348.393 3.748 20 10 EHCDLO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000866499773 1137359130 /nfs/dbraw/zinc/35/91/30/1137359130.db2.gz NVUKNWGFSKDIRK-DPKJLXEKSA-N 1 2 342.130 3.895 20 10 EHCDLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)n1 ZINC000921549990 1127727174 /nfs/dbraw/zinc/72/71/74/1127727174.db2.gz GIWYFMAPJZOJQC-UHFFFAOYSA-N 1 2 345.512 3.815 20 10 EHCDLO CN(C)c1ccc(C[NH2+]Cc2occc2Br)cc1F ZINC000735322530 1131331396 /nfs/dbraw/zinc/33/13/96/1131331396.db2.gz JIZZHRHSOOWLCB-UHFFFAOYSA-N 1 2 327.197 3.537 20 10 EHCDLO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1O ZINC000186952445 1129936743 /nfs/dbraw/zinc/93/67/43/1129936743.db2.gz LGXNGANYIRSHJQ-SFHVURJKSA-N 1 2 349.377 3.561 20 10 EHCDLO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1O ZINC000186952445 1129936745 /nfs/dbraw/zinc/93/67/45/1129936745.db2.gz LGXNGANYIRSHJQ-SFHVURJKSA-N 1 2 349.377 3.561 20 10 EHCDLO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C1(C)C ZINC000766087823 1130236486 /nfs/dbraw/zinc/23/64/86/1130236486.db2.gz FYZSIJIVIXCDQV-KBPBESRZSA-N 1 2 342.277 3.836 20 10 EHCDLO CCN(C)c1ccc(C[N@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000741754672 1131644239 /nfs/dbraw/zinc/64/42/39/1131644239.db2.gz VCQRJDPFXVBIOG-UHFFFAOYSA-N 1 2 340.393 3.534 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000741754672 1131644242 /nfs/dbraw/zinc/64/42/42/1131644242.db2.gz VCQRJDPFXVBIOG-UHFFFAOYSA-N 1 2 340.393 3.534 20 10 EHCDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1c(O)cccc1Cl ZINC000768174033 1133105780 /nfs/dbraw/zinc/10/57/80/1133105780.db2.gz XADBSUMCIZFSBV-UHFFFAOYSA-N 1 2 348.830 3.515 20 10 EHCDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1c(O)cccc1Cl ZINC000768174033 1133105781 /nfs/dbraw/zinc/10/57/81/1133105781.db2.gz XADBSUMCIZFSBV-UHFFFAOYSA-N 1 2 348.830 3.515 20 10 EHCDLO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000769105495 1133227065 /nfs/dbraw/zinc/22/70/65/1133227065.db2.gz MAPZKBYQTQVZQF-DOTOQJQBSA-N 1 2 347.459 3.584 20 10 EHCDLO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000769105495 1133227068 /nfs/dbraw/zinc/22/70/68/1133227068.db2.gz MAPZKBYQTQVZQF-DOTOQJQBSA-N 1 2 347.459 3.584 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000769146682 1133232594 /nfs/dbraw/zinc/23/25/94/1133232594.db2.gz UFGZHXLTNFSHFY-AWEZNQCLSA-N 1 2 329.271 3.759 20 10 EHCDLO CCOc1cccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1O ZINC000769326782 1133262962 /nfs/dbraw/zinc/26/29/62/1133262962.db2.gz HEPITQCNGXTOPU-UHFFFAOYSA-N 1 2 337.423 3.716 20 10 EHCDLO CCOc1cccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1O ZINC000769326782 1133262964 /nfs/dbraw/zinc/26/29/64/1133262964.db2.gz HEPITQCNGXTOPU-UHFFFAOYSA-N 1 2 337.423 3.716 20 10 EHCDLO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000769997258 1133375534 /nfs/dbraw/zinc/37/55/34/1133375534.db2.gz XYTKNBHJVCOUHH-IDFWJGBYSA-N 1 2 348.668 3.786 20 10 EHCDLO CCC1(CC)[C@@H]([NH2+]Cc2cccc(Br)c2O)C[C@@H]1OC ZINC001181465295 1133490792 /nfs/dbraw/zinc/49/07/92/1133490792.db2.gz WIQDAJIWRBBGQF-KBPBESRZSA-N 1 2 342.277 3.838 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000792166007 1134661181 /nfs/dbraw/zinc/66/11/81/1134661181.db2.gz NQOWAQCXIPUOSK-UHFFFAOYSA-N 1 2 331.778 3.660 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3ccsc3Cl)CC2)cc1F ZINC000792170665 1134662448 /nfs/dbraw/zinc/66/24/48/1134662448.db2.gz UTBYFDHYPQCXNY-UHFFFAOYSA-N 1 2 340.851 3.871 20 10 EHCDLO COc1cccc(O)c1C[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000792182462 1134664028 /nfs/dbraw/zinc/66/40/28/1134664028.db2.gz XJXNNQUQFXIPSG-GFCCVEGCSA-N 1 2 331.416 3.682 20 10 EHCDLO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1cc(F)cc(F)c1O ZINC000793574527 1134960713 /nfs/dbraw/zinc/96/07/13/1134960713.db2.gz ZMXRENWYXRXZJM-ZDUSSCGKSA-N 1 2 343.377 3.766 20 10 EHCDLO Cc1cn2cc(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2[nH+]1 ZINC000775593428 1135134584 /nfs/dbraw/zinc/13/45/84/1135134584.db2.gz DMGLZNVYTRVDQW-AWEZNQCLSA-N 1 2 337.427 3.591 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cccc(Cl)c1O ZINC000806129614 1135396256 /nfs/dbraw/zinc/39/62/56/1135396256.db2.gz YZMJMRYTWMAXGR-SWLSCSKDSA-N 1 2 333.815 3.926 20 10 EHCDLO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1cc(F)cc(F)c1O ZINC000806663724 1135482676 /nfs/dbraw/zinc/48/26/76/1135482676.db2.gz RTMRVSAKYVDKQR-KSMMKXTCSA-N 1 2 346.421 3.984 20 10 EHCDLO C[NH+](C)Cc1cnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000809776013 1135881966 /nfs/dbraw/zinc/88/19/66/1135881966.db2.gz PNWKFDJURFLHDY-UHFFFAOYSA-N 1 2 346.283 3.507 20 10 EHCDLO CC(C)[N@H+](C)C[C@H](C)N[C@H](C)c1cc(Br)ccc1O ZINC000810244491 1135947925 /nfs/dbraw/zinc/94/79/25/1135947925.db2.gz FOJGPFPAFXJXFD-NWDGAFQWSA-N 1 2 329.282 3.534 20 10 EHCDLO CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1cc(Br)ccc1O ZINC000810244491 1135947928 /nfs/dbraw/zinc/94/79/28/1135947928.db2.gz FOJGPFPAFXJXFD-NWDGAFQWSA-N 1 2 329.282 3.534 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000810093616 1135920551 /nfs/dbraw/zinc/92/05/51/1135920551.db2.gz OIVLXIODCDVDDG-FUHWJXTLSA-N 1 2 349.858 3.782 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518085 1136098423 /nfs/dbraw/zinc/09/84/23/1136098423.db2.gz GJDUANFPMCOCMS-GOEBONIOSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518085 1136098426 /nfs/dbraw/zinc/09/84/26/1136098426.db2.gz GJDUANFPMCOCMS-GOEBONIOSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811513215 1136103265 /nfs/dbraw/zinc/10/32/65/1136103265.db2.gz RQWUCZAMRQVPPA-MRXNPFEDSA-N 1 2 328.843 3.683 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811513215 1136103267 /nfs/dbraw/zinc/10/32/67/1136103267.db2.gz RQWUCZAMRQVPPA-MRXNPFEDSA-N 1 2 328.843 3.683 20 10 EHCDLO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000776255423 1136111326 /nfs/dbraw/zinc/11/13/26/1136111326.db2.gz DFUBUYBVCYDAKN-KPZWWZAWSA-N 1 2 335.831 3.920 20 10 EHCDLO CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cccc(Cl)c1O ZINC000850561636 1136285938 /nfs/dbraw/zinc/28/59/38/1136285938.db2.gz KKFXTOCQSGGNHL-CRAIPNDOSA-N 1 2 341.879 3.654 20 10 EHCDLO CCC[C@H](C)C(=O)NCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000815633678 1136619381 /nfs/dbraw/zinc/61/93/81/1136619381.db2.gz UHJPLWHYOKGRQA-SWLSCSKDSA-N 1 2 326.868 3.639 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccc(Cl)c2O)[C@H]1n1cccn1 ZINC000815660894 1136623250 /nfs/dbraw/zinc/62/32/50/1136623250.db2.gz NECPLEWNJMBSGV-MWDXBVQZSA-N 1 2 349.862 3.702 20 10 EHCDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2ccc3ccccc3c2O)n1 ZINC000816516732 1136730148 /nfs/dbraw/zinc/73/01/48/1136730148.db2.gz OKKBKVCTDVPOCA-CYBMUJFWSA-N 1 2 341.411 3.658 20 10 EHCDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc3ccccc3c2O)n1 ZINC000816516732 1136730150 /nfs/dbraw/zinc/73/01/50/1136730150.db2.gz OKKBKVCTDVPOCA-CYBMUJFWSA-N 1 2 341.411 3.658 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000816613024 1136741441 /nfs/dbraw/zinc/74/14/41/1136741441.db2.gz GFUBRTDIXYZRHF-UHFFFAOYSA-N 1 2 335.762 3.558 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000816613024 1136741443 /nfs/dbraw/zinc/74/14/43/1136741443.db2.gz GFUBRTDIXYZRHF-UHFFFAOYSA-N 1 2 335.762 3.558 20 10 EHCDLO CCN(CC)c1ccc(C[NH2+]Cc2nn(C)c(C)c2Cl)cc1F ZINC000817407216 1136804864 /nfs/dbraw/zinc/80/48/64/1136804864.db2.gz FTNWPBDUBQLUOL-UHFFFAOYSA-N 1 2 338.858 3.657 20 10 EHCDLO C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817950834 1136850588 /nfs/dbraw/zinc/85/05/88/1136850588.db2.gz ZWYLMXIGDRYSBN-KOLCDFICSA-N 1 2 347.684 3.601 20 10 EHCDLO CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1O ZINC000817981481 1136854905 /nfs/dbraw/zinc/85/49/05/1136854905.db2.gz RZEVSFYLEWTJKC-QWRGUYRKSA-N 1 2 339.213 3.737 20 10 EHCDLO COc1ccc(N2CCCN(c3[nH+]ccc4ccccc43)CC2)cc1 ZINC000858356697 1136961152 /nfs/dbraw/zinc/96/11/52/1136961152.db2.gz BROKDQXRGHLBIL-UHFFFAOYSA-N 1 2 333.435 3.960 20 10 EHCDLO CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cccc(Cl)c1O ZINC000858541196 1136977443 /nfs/dbraw/zinc/97/74/43/1136977443.db2.gz UOTJMFCFIDFXAO-OAHLLOKOSA-N 1 2 338.879 3.735 20 10 EHCDLO COc1ccc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)nc1 ZINC000845998609 1137324400 /nfs/dbraw/zinc/32/44/00/1137324400.db2.gz NPKBJIBHZGCEMB-UHFFFAOYSA-N 1 2 332.831 3.829 20 10 EHCDLO CC1(C)CCc2onc(C[NH2+]Cc3c(O)ccc(Cl)c3F)c2C1 ZINC000873175140 1137592422 /nfs/dbraw/zinc/59/24/22/1137592422.db2.gz PVUYCFPLOVMYLE-UHFFFAOYSA-N 1 2 338.810 3.977 20 10 EHCDLO Cc1cc([NH+](C)C)ccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876818249 1137662573 /nfs/dbraw/zinc/66/25/73/1137662573.db2.gz OCCSFDNGTZJAHQ-UHFFFAOYSA-N 1 2 339.483 3.634 20 10 EHCDLO CCOc1cccc(C[N@@H+]2CCSC[C@@H]2c2nccs2)c1O ZINC000186657122 1140215857 /nfs/dbraw/zinc/21/58/57/1140215857.db2.gz GLJXNNZFNYEKMN-CYBMUJFWSA-N 1 2 336.482 3.538 20 10 EHCDLO CCOc1cccc(C[N@H+]2CCSC[C@@H]2c2nccs2)c1O ZINC000186657122 1140215861 /nfs/dbraw/zinc/21/58/61/1140215861.db2.gz GLJXNNZFNYEKMN-CYBMUJFWSA-N 1 2 336.482 3.538 20 10 EHCDLO Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000348701350 1141567578 /nfs/dbraw/zinc/56/75/78/1141567578.db2.gz QMDNTEKVDBPBIQ-UHFFFAOYSA-N 1 2 344.418 3.602 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000281388273 1024990097 /nfs/dbraw/zinc/99/00/97/1024990097.db2.gz WQCHELSDLZWXNM-UHFFFAOYSA-N 1 2 346.736 3.672 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000048795061 1026266786 /nfs/dbraw/zinc/26/67/86/1026266786.db2.gz BCJIFQTUUIKKBP-UHFFFAOYSA-N 1 2 345.240 3.968 20 10 EHCDLO Cc1cc2ccccc2[nH+]c1NCc1ccc(N2CCOCC2)cc1 ZINC000301580188 1026862449 /nfs/dbraw/zinc/86/24/49/1026862449.db2.gz SELQIIRXTRBVLC-UHFFFAOYSA-N 1 2 333.435 3.992 20 10 EHCDLO CCC[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)OC ZINC000708124619 1027805642 /nfs/dbraw/zinc/80/56/42/1027805642.db2.gz HMOVXGRYPJYVHF-NSHDSACASA-N 1 2 336.657 3.713 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711500866 1028709181 /nfs/dbraw/zinc/70/91/81/1028709181.db2.gz YMIOZTPEYCEHRH-VIFPVBQESA-N 1 2 336.632 3.990 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711500866 1028709166 /nfs/dbraw/zinc/70/91/66/1028709166.db2.gz YMIOZTPEYCEHRH-VIFPVBQESA-N 1 2 336.632 3.990 20 10 EHCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000728542373 1028741660 /nfs/dbraw/zinc/74/16/60/1028741660.db2.gz NRQDDMOYGKDTRC-HXUWFJFHSA-N 1 2 348.450 3.768 20 10 EHCDLO COC1(C[C@H](C)[NH2+]Cc2cccc(Br)c2O)CCC1 ZINC000278340096 1030257594 /nfs/dbraw/zinc/25/75/94/1030257594.db2.gz HOKZBCTXHPUDLV-NSHDSACASA-N 1 2 328.250 3.592 20 10 EHCDLO CC[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1cccc(Cl)c1O ZINC000527997094 1031557198 /nfs/dbraw/zinc/55/71/98/1031557198.db2.gz GWLBCPPQZHQQIW-GOEBONIOSA-N 1 2 330.815 3.650 20 10 EHCDLO OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000761226932 1034820666 /nfs/dbraw/zinc/82/06/66/1034820666.db2.gz XHQMMRPIYDAWOA-SFHVURJKSA-N 1 2 349.833 3.958 20 10 EHCDLO OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000761226932 1034820681 /nfs/dbraw/zinc/82/06/81/1034820681.db2.gz XHQMMRPIYDAWOA-SFHVURJKSA-N 1 2 349.833 3.958 20 10 EHCDLO COC[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ccc(C)o1 ZINC000177567875 1035236213 /nfs/dbraw/zinc/23/62/13/1035236213.db2.gz CVJJWECWUHQWMR-CYBMUJFWSA-N 1 2 340.217 3.533 20 10 EHCDLO C[C@H]([NH2+]CCF)c1cc(Br)cc(Br)c1O ZINC000281033874 1035301113 /nfs/dbraw/zinc/30/11/13/1035301113.db2.gz NHRPQUCJCJZKQL-LURJTMIESA-N 1 2 341.018 3.537 20 10 EHCDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nc(-c2cccc(F)c2)no1 ZINC000237589722 1039394901 /nfs/dbraw/zinc/39/49/01/1039394901.db2.gz XHVDEDKGCSTVLA-LBPRGKRZSA-N 1 2 339.370 3.661 20 10 EHCDLO CCOc1ccc(CNc2[nH+]c3cc(F)ccc3n2CC)c(O)c1 ZINC000780396319 1041032073 /nfs/dbraw/zinc/03/20/73/1041032073.db2.gz ZQDZDLRJYSOWSU-UHFFFAOYSA-N 1 2 329.375 3.912 20 10 EHCDLO C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3csnn3)cc2Cl)C1 ZINC000282268312 1128146061 /nfs/dbraw/zinc/14/60/61/1128146061.db2.gz DEQUWFQTDDRNPY-GFCCVEGCSA-N 1 2 336.892 3.718 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC3(C2)CCCCCC3)c1O ZINC000763445131 1123185625 /nfs/dbraw/zinc/18/56/25/1123185625.db2.gz QMJFYFNQFRQTRJ-UHFFFAOYSA-N 1 2 335.419 3.659 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC3(C2)CCCCCC3)c1O ZINC000763445131 1123185628 /nfs/dbraw/zinc/18/56/28/1123185628.db2.gz QMJFYFNQFRQTRJ-UHFFFAOYSA-N 1 2 335.419 3.659 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)CC(=O)OCc2ccccc2)cc1 ZINC000731104599 1130769209 /nfs/dbraw/zinc/76/92/09/1130769209.db2.gz RHUGHRREBOBECB-UHFFFAOYSA-N 1 2 340.467 3.708 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)OCc2ccccc2)cc1 ZINC000731104599 1130769212 /nfs/dbraw/zinc/76/92/12/1130769212.db2.gz RHUGHRREBOBECB-UHFFFAOYSA-N 1 2 340.467 3.708 20 10 EHCDLO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(Br)c1O)C2 ZINC000767727043 1133044094 /nfs/dbraw/zinc/04/40/94/1133044094.db2.gz GPPZCTCRVLDPOZ-AWEZNQCLSA-N 1 2 348.240 3.507 20 10 EHCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cc(-c2ccccc2)ccc1O ZINC000769232713 1133246831 /nfs/dbraw/zinc/24/68/31/1133246831.db2.gz MMNOROHOGMWGTJ-UHFFFAOYSA-N 1 2 327.424 3.833 20 10 EHCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(-c2ccccc2)ccc1O ZINC000769232713 1133246838 /nfs/dbraw/zinc/24/68/38/1133246838.db2.gz MMNOROHOGMWGTJ-UHFFFAOYSA-N 1 2 327.424 3.833 20 10 EHCDLO CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769497785 1133301370 /nfs/dbraw/zinc/30/13/70/1133301370.db2.gz AVTWJWQDSJGLLO-INIZCTEOSA-N 1 2 330.859 3.752 20 10 EHCDLO CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769497785 1133301377 /nfs/dbraw/zinc/30/13/77/1133301377.db2.gz AVTWJWQDSJGLLO-INIZCTEOSA-N 1 2 330.859 3.752 20 10 EHCDLO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc(C(F)(F)F)c1O ZINC000788611667 1134151960 /nfs/dbraw/zinc/15/19/60/1134151960.db2.gz NXQSWKVSOAGURA-VIFPVBQESA-N 1 2 345.390 3.784 20 10 EHCDLO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C(C)(C)O ZINC000790700863 1134454435 /nfs/dbraw/zinc/45/44/35/1134454435.db2.gz GLIHITZHFGSVPC-XPTSAGLGSA-N 1 2 348.256 3.740 20 10 EHCDLO CC(C)n1nccc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000792759660 1134786542 /nfs/dbraw/zinc/78/65/42/1134786542.db2.gz BDBYJXJHJNFYBL-UHFFFAOYSA-N 1 2 325.412 3.965 20 10 EHCDLO CC(C)n1nccc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000792759660 1134786551 /nfs/dbraw/zinc/78/65/51/1134786551.db2.gz BDBYJXJHJNFYBL-UHFFFAOYSA-N 1 2 325.412 3.965 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCc3ncsc3C2)c(C(F)(F)F)c1 ZINC000793157947 1134865350 /nfs/dbraw/zinc/86/53/50/1134865350.db2.gz LDBSLORKFKGUOP-UHFFFAOYSA-N 1 2 341.402 3.786 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCc3ncsc3C2)c(C(F)(F)F)c1 ZINC000793157947 1134865355 /nfs/dbraw/zinc/86/53/55/1134865355.db2.gz LDBSLORKFKGUOP-UHFFFAOYSA-N 1 2 341.402 3.786 20 10 EHCDLO Oc1c(Cl)cccc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000775634280 1135364197 /nfs/dbraw/zinc/36/41/97/1135364197.db2.gz QUZQSVFBYNOIGN-UHFFFAOYSA-N 1 2 330.859 3.754 20 10 EHCDLO Oc1c(Cl)cccc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000775634280 1135364203 /nfs/dbraw/zinc/36/42/03/1135364203.db2.gz QUZQSVFBYNOIGN-UHFFFAOYSA-N 1 2 330.859 3.754 20 10 EHCDLO CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(Cl)c1O ZINC000806148032 1135401229 /nfs/dbraw/zinc/40/12/29/1135401229.db2.gz BXDNQNIZYSODKB-CZUORRHYSA-N 1 2 339.863 3.815 20 10 EHCDLO CC[C@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1cccc(Cl)c1O ZINC000806165045 1135406012 /nfs/dbraw/zinc/40/60/12/1135406012.db2.gz CLZKUGHQEZNHHP-HNNXBMFYSA-N 1 2 340.851 3.565 20 10 EHCDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccc(Cl)c1O ZINC000775649585 1135415022 /nfs/dbraw/zinc/41/50/22/1135415022.db2.gz LSDVLBSBHOKOFT-UHFFFAOYSA-N 1 2 344.842 3.570 20 10 EHCDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccc(Cl)c1O ZINC000775649585 1135415024 /nfs/dbraw/zinc/41/50/24/1135415024.db2.gz LSDVLBSBHOKOFT-UHFFFAOYSA-N 1 2 344.842 3.570 20 10 EHCDLO COc1cc2c(cc1C[NH2+]Cc1cccc(Cl)c1O)O[C@H](C)C2 ZINC000775950893 1135895753 /nfs/dbraw/zinc/89/57/53/1135895753.db2.gz FOGNLKYWBGTTIX-LLVKDONJSA-N 1 2 333.815 3.667 20 10 EHCDLO O=C1CCCN1c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001199554774 1135911266 /nfs/dbraw/zinc/91/12/66/1135911266.db2.gz ZITPLAPKDNISRS-UHFFFAOYSA-N 1 2 348.805 3.601 20 10 EHCDLO COc1cc(CNc2ccc(N(C)C)[nH+]c2)c(O)c(C(C)(C)C)c1 ZINC001201365395 1136008473 /nfs/dbraw/zinc/00/84/73/1136008473.db2.gz PPFHIHFHBPIIJQ-UHFFFAOYSA-N 1 2 329.444 3.771 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000776175754 1136021700 /nfs/dbraw/zinc/02/17/00/1136021700.db2.gz ZVOLOTORRHLSAP-CYBMUJFWSA-N 1 2 332.241 3.974 20 10 EHCDLO COC(=O)c1ccc(N)c(Nc2ccc([NH2+]C(C)C)cc2)c1OC ZINC001201499415 1136028869 /nfs/dbraw/zinc/02/88/69/1136028869.db2.gz LWEGHXWWWQOZJP-UHFFFAOYSA-N 1 2 329.400 3.628 20 10 EHCDLO COc1cc(C(N)=O)c(Nc2ccc([NH2+]C(C)C)cc2)c(F)c1OC ZINC001201497625 1136029033 /nfs/dbraw/zinc/02/90/33/1136029033.db2.gz ICPROTIZLXPPGM-UHFFFAOYSA-N 1 2 347.390 3.506 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518482 1136098287 /nfs/dbraw/zinc/09/82/87/1136098287.db2.gz LQBOLCROBGGWOA-HOCLYGCPSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518482 1136098291 /nfs/dbraw/zinc/09/82/91/1136098291.db2.gz LQBOLCROBGGWOA-HOCLYGCPSA-N 1 2 325.811 3.718 20 10 EHCDLO CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1)c1cccc(Cl)c1O ZINC000850500659 1136272941 /nfs/dbraw/zinc/27/29/41/1136272941.db2.gz GBSSQMCRYIVQQC-OSRSDYAFSA-N 1 2 341.879 3.652 20 10 EHCDLO C[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000850577713 1136291092 /nfs/dbraw/zinc/29/10/92/1136291092.db2.gz GWWJWXLGGBADSA-XJKSGUPXSA-N 1 2 332.394 3.596 20 10 EHCDLO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cc(F)cc(F)c1O ZINC000813883800 1136372870 /nfs/dbraw/zinc/37/28/70/1136372870.db2.gz OKMHIPMBYDZESA-YPMHNXCESA-N 1 2 336.357 3.739 20 10 EHCDLO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000815633679 1136619434 /nfs/dbraw/zinc/61/94/34/1136619434.db2.gz UHJPLWHYOKGRQA-WFASDCNBSA-N 1 2 326.868 3.639 20 10 EHCDLO COc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1OC ZINC000816529098 1136734147 /nfs/dbraw/zinc/73/41/47/1136734147.db2.gz GOIKZJOBWMUGFF-UHFFFAOYSA-N 1 2 339.794 3.534 20 10 EHCDLO CC(C)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nc(C2CC2)no1 ZINC000816563426 1136737531 /nfs/dbraw/zinc/73/75/31/1136737531.db2.gz XNYRHENRZTUERM-AWEZNQCLSA-N 1 2 339.798 3.932 20 10 EHCDLO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)CCO1 ZINC000817585873 1136826198 /nfs/dbraw/zinc/82/61/98/1136826198.db2.gz JPYZBZZNBFTMMH-OUAUKWLOSA-N 1 2 346.240 3.902 20 10 EHCDLO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000776952299 1136894520 /nfs/dbraw/zinc/89/45/20/1136894520.db2.gz HWVBLFRJCKFMKG-KBPBESRZSA-N 1 2 342.277 3.838 20 10 EHCDLO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000776952322 1136894610 /nfs/dbraw/zinc/89/46/10/1136894610.db2.gz HWVBLFRJCKFMKG-ZIAGYGMSSA-N 1 2 342.277 3.838 20 10 EHCDLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1-c1cc(C)cc(C)c1 ZINC000857984127 1136927262 /nfs/dbraw/zinc/92/72/62/1136927262.db2.gz YBDOTJDITXBGPI-IBGZPJMESA-N 1 2 348.450 3.782 20 10 EHCDLO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(Cl)c3O)C2)cc1 ZINC000822494941 1137063037 /nfs/dbraw/zinc/06/30/37/1137063037.db2.gz ZIKJOHPTDFIQPR-AWEZNQCLSA-N 1 2 346.858 3.670 20 10 EHCDLO CC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806149807 1137064781 /nfs/dbraw/zinc/06/47/81/1137064781.db2.gz IDRZMOOBKWPBBJ-YOEHRIQHSA-N 1 2 337.822 3.829 20 10 EHCDLO CC(C)[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@@H](CO)C(C)C ZINC000824846401 1137155804 /nfs/dbraw/zinc/15/58/04/1137155804.db2.gz RLDUPGJONLSNSI-DZGCQCFKSA-N 1 2 344.293 3.533 20 10 EHCDLO Oc1cc2c(cc1O)C[N@H+](Cc1nc3ccccc3s1)CCC2 ZINC001136956627 1137156714 /nfs/dbraw/zinc/15/67/14/1137156714.db2.gz ZCRRQXQKHQJWIZ-UHFFFAOYSA-N 1 2 326.421 3.656 20 10 EHCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1nc3ccccc3s1)CCC2 ZINC001136956627 1137156715 /nfs/dbraw/zinc/15/67/15/1137156715.db2.gz ZCRRQXQKHQJWIZ-UHFFFAOYSA-N 1 2 326.421 3.656 20 10 EHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001144306938 1137270666 /nfs/dbraw/zinc/27/06/66/1137270666.db2.gz XDROFDTWKRVWRX-QMMMGPOBSA-N 1 2 338.167 3.771 20 10 EHCDLO C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1F ZINC000846017813 1137326289 /nfs/dbraw/zinc/32/62/89/1137326289.db2.gz QLOXQFPDYJIISZ-PSLIRLAXSA-N 1 2 327.758 3.536 20 10 EHCDLO COc1cccc([C@H](C)[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)c1O ZINC000846148495 1137336091 /nfs/dbraw/zinc/33/60/91/1137336091.db2.gz FGVCNQMVLLYECT-STQMWFEESA-N 1 2 339.395 3.863 20 10 EHCDLO CN(C)c1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1F ZINC000873174767 1137592386 /nfs/dbraw/zinc/59/23/86/1137592386.db2.gz NVHLLAHDUYLXIM-UHFFFAOYSA-N 1 2 331.435 3.684 20 10 EHCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000882882451 1137836798 /nfs/dbraw/zinc/83/67/98/1137836798.db2.gz LNFHOODLRNJLIH-SFHVURJKSA-N 1 2 332.394 3.597 20 10 EHCDLO Oc1cccc(Cl)c1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000114762738 1137918939 /nfs/dbraw/zinc/91/89/39/1137918939.db2.gz LVWISLZQVIROOO-UHFFFAOYSA-N 1 2 332.831 3.619 20 10 EHCDLO CCC[N@H+](Cc1csc(N(CC)C(C)=O)n1)Cc1ccccc1O ZINC000072961781 1138109381 /nfs/dbraw/zinc/10/93/81/1138109381.db2.gz SDPSVPQDJDWLTA-UHFFFAOYSA-N 1 2 347.484 3.634 20 10 EHCDLO CCC[N@@H+](Cc1csc(N(CC)C(C)=O)n1)Cc1ccccc1O ZINC000072961781 1138109382 /nfs/dbraw/zinc/10/93/82/1138109382.db2.gz SDPSVPQDJDWLTA-UHFFFAOYSA-N 1 2 347.484 3.634 20 10 EHCDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2Cc2cccc(C)c2O)o1 ZINC000179817379 1139785776 /nfs/dbraw/zinc/78/57/76/1139785776.db2.gz ICIHMVRWAXQTMM-GOSISDBHSA-N 1 2 335.407 3.692 20 10 EHCDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2Cc2cccc(C)c2O)o1 ZINC000179817379 1139785780 /nfs/dbraw/zinc/78/57/80/1139785780.db2.gz ICIHMVRWAXQTMM-GOSISDBHSA-N 1 2 335.407 3.692 20 10 EHCDLO Cc1cc(C[N@@H+](C)Cc2ccc(OCc3ccccc3)cc2O)no1 ZINC000182999549 1140006365 /nfs/dbraw/zinc/00/63/65/1140006365.db2.gz FXFVEMXEKNYMTK-UHFFFAOYSA-N 1 2 338.407 3.900 20 10 EHCDLO Cc1cc(C[N@H+](C)Cc2ccc(OCc3ccccc3)cc2O)no1 ZINC000182999549 1140006372 /nfs/dbraw/zinc/00/63/72/1140006372.db2.gz FXFVEMXEKNYMTK-UHFFFAOYSA-N 1 2 338.407 3.900 20 10 EHCDLO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000186659906 1140216210 /nfs/dbraw/zinc/21/62/10/1140216210.db2.gz CQHHFLIRMCAEPO-CQSZACIVSA-N 1 2 336.482 3.538 20 10 EHCDLO CCOc1ccc(O)c(C[N@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000186659906 1140216213 /nfs/dbraw/zinc/21/62/13/1140216213.db2.gz CQHHFLIRMCAEPO-CQSZACIVSA-N 1 2 336.482 3.538 20 10 EHCDLO CC[N@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(OC)cc1 ZINC000283308931 1141594150 /nfs/dbraw/zinc/59/41/50/1141594150.db2.gz YVGQWTAFGOYBAV-KRWDZBQOSA-N 1 2 338.451 3.684 20 10 EHCDLO CC[N@@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(OC)cc1 ZINC000283308931 1141594152 /nfs/dbraw/zinc/59/41/52/1141594152.db2.gz YVGQWTAFGOYBAV-KRWDZBQOSA-N 1 2 338.451 3.684 20 10 EHCDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC(CF)CC1 ZINC000708075399 1026698281 /nfs/dbraw/zinc/69/82/81/1026698281.db2.gz MRGQQGUUEQKEAV-UHFFFAOYSA-N 1 2 336.632 3.990 20 10 EHCDLO CC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccc(Cl)c1O ZINC000376830430 1017139181 /nfs/dbraw/zinc/13/91/81/1017139181.db2.gz NFSQGALWNXAJKJ-INIZCTEOSA-N 1 2 342.830 3.867 20 10 EHCDLO COc1cc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c(O)cc1C ZINC000160338328 1018120614 /nfs/dbraw/zinc/12/06/14/1018120614.db2.gz ZMYYHGKLKXPHHE-UHFFFAOYSA-N 1 2 346.374 3.817 20 10 EHCDLO COc1cc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c(O)cc1C ZINC000160338328 1018120626 /nfs/dbraw/zinc/12/06/26/1018120626.db2.gz ZMYYHGKLKXPHHE-UHFFFAOYSA-N 1 2 346.374 3.817 20 10 EHCDLO C[C@@H](C[NH2+]Cc1cccc(Br)c1O)c1nccs1 ZINC000230694797 1032821460 /nfs/dbraw/zinc/82/14/60/1032821460.db2.gz ZFLKESMUAMCQMO-VIFPVBQESA-N 1 2 327.247 3.505 20 10 EHCDLO CCOc1ccc([N@H+](CC)CCCCCS(=O)(=O)CC)cc1 ZINC000276525325 1021605248 /nfs/dbraw/zinc/60/52/48/1021605248.db2.gz WXWUGCUQJFRJKV-UHFFFAOYSA-N 1 2 327.490 3.517 20 10 EHCDLO CCOc1ccc([N@@H+](CC)CCCCCS(=O)(=O)CC)cc1 ZINC000276525325 1021605257 /nfs/dbraw/zinc/60/52/57/1021605257.db2.gz WXWUGCUQJFRJKV-UHFFFAOYSA-N 1 2 327.490 3.517 20 10 EHCDLO C[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000894603558 1022598441 /nfs/dbraw/zinc/59/84/41/1022598441.db2.gz TVZGKRSTJOSEAX-AWEZNQCLSA-N 1 2 348.668 3.545 20 10 EHCDLO C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000894603558 1022598449 /nfs/dbraw/zinc/59/84/49/1022598449.db2.gz TVZGKRSTJOSEAX-AWEZNQCLSA-N 1 2 348.668 3.545 20 10 EHCDLO CC1(C)C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCS1 ZINC000897800400 1033184310 /nfs/dbraw/zinc/18/43/10/1033184310.db2.gz QVPXVKRVRACESS-NSHDSACASA-N 1 2 330.291 3.919 20 10 EHCDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Cl)c(Cl)cc1O ZINC000281917025 1025698982 /nfs/dbraw/zinc/69/89/82/1025698982.db2.gz AHKSBKXLXQPDRM-VIFPVBQESA-N 1 2 343.258 3.896 20 10 EHCDLO COCC[N@H+](Cc1cc(Cl)cc(Br)c1O)C(C)C ZINC000708140215 1027875740 /nfs/dbraw/zinc/87/57/40/1027875740.db2.gz JGQRJNNHDYRYMW-UHFFFAOYSA-N 1 2 336.657 3.665 20 10 EHCDLO COCC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C(C)C ZINC000708140215 1027875758 /nfs/dbraw/zinc/87/57/58/1027875758.db2.gz JGQRJNNHDYRYMW-UHFFFAOYSA-N 1 2 336.657 3.665 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000245558127 1028834178 /nfs/dbraw/zinc/83/41/78/1028834178.db2.gz BBIDVJNFSKPOQL-YVEFUNNKSA-N 1 2 347.846 3.528 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000245558127 1028834191 /nfs/dbraw/zinc/83/41/91/1028834191.db2.gz BBIDVJNFSKPOQL-YVEFUNNKSA-N 1 2 347.846 3.528 20 10 EHCDLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1F)c1ccccc1O ZINC000360012808 1030713090 /nfs/dbraw/zinc/71/30/90/1030713090.db2.gz DDTWXXBCAGDOBJ-UGSOOPFHSA-N 1 2 325.387 3.705 20 10 EHCDLO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Br)cc(F)c1O ZINC000527925289 1031416638 /nfs/dbraw/zinc/41/66/38/1031416638.db2.gz IWSKSCBSTNNPPG-GHMZBOCLSA-N 1 2 346.240 3.761 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000898219548 1033375539 /nfs/dbraw/zinc/37/55/39/1033375539.db2.gz ZFZBIIJREFWVIY-UHFFFAOYSA-N 1 2 336.785 3.552 20 10 EHCDLO FC(F)Oc1ccc2c(c1)CCCN2Cc1cccc2[nH+]ccn21 ZINC000761223295 1034793123 /nfs/dbraw/zinc/79/31/23/1034793123.db2.gz ZDGBNADUZSHQHP-UHFFFAOYSA-N 1 2 329.350 3.889 20 10 EHCDLO CCOc1ccc(C[NH2+][C@H](CC(C)C)C(=O)OC(C)(C)C)c(O)c1 ZINC000759851609 1041159381 /nfs/dbraw/zinc/15/93/81/1041159381.db2.gz ARGJYDPDHGSWAR-MRXNPFEDSA-N 1 2 337.460 3.637 20 10 EHCDLO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756644839 1041657805 /nfs/dbraw/zinc/65/78/05/1041657805.db2.gz CFBBTWLAEZZFIE-VWYCJHECSA-N 1 2 346.240 3.760 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000715737559 1128980496 /nfs/dbraw/zinc/98/04/96/1128980496.db2.gz LAJJQSHUGVSALP-MRVPVSSYSA-N 1 2 342.130 3.678 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000715737559 1128980497 /nfs/dbraw/zinc/98/04/97/1128980497.db2.gz LAJJQSHUGVSALP-MRVPVSSYSA-N 1 2 342.130 3.678 20 10 EHCDLO C[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)CCC1(F)F ZINC001235295721 1121452063 /nfs/dbraw/zinc/45/20/63/1121452063.db2.gz FJGXPVMFTTWJCS-QMMMGPOBSA-N 1 2 338.167 3.771 20 10 EHCDLO C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)CCC1(F)F ZINC001235295721 1121452068 /nfs/dbraw/zinc/45/20/68/1121452068.db2.gz FJGXPVMFTTWJCS-QMMMGPOBSA-N 1 2 338.167 3.771 20 10 EHCDLO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000182386829 1125271812 /nfs/dbraw/zinc/27/18/12/1125271812.db2.gz UXFRSOGZHQVJSU-QGZVFWFLSA-N 1 2 337.341 3.985 20 10 EHCDLO Oc1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000182386829 1125271816 /nfs/dbraw/zinc/27/18/16/1125271816.db2.gz UXFRSOGZHQVJSU-QGZVFWFLSA-N 1 2 337.341 3.985 20 10 EHCDLO Cc1noc(C[C@@H]([NH2+]Cc2cccc(Cl)c2O)c2ccccc2)n1 ZINC000763544713 1125328709 /nfs/dbraw/zinc/32/87/09/1125328709.db2.gz PNSRBUQQOGUZFJ-MRXNPFEDSA-N 1 2 343.814 3.811 20 10 EHCDLO CCOc1ccc(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c(O)c1 ZINC000768766245 1133174506 /nfs/dbraw/zinc/17/45/06/1133174506.db2.gz IEWADZBNMMEIAB-UHFFFAOYSA-N 1 2 340.398 3.970 20 10 EHCDLO CCOc1ccc(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c(O)c1 ZINC000768766245 1133174508 /nfs/dbraw/zinc/17/45/08/1133174508.db2.gz IEWADZBNMMEIAB-UHFFFAOYSA-N 1 2 340.398 3.970 20 10 EHCDLO CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769497786 1133301599 /nfs/dbraw/zinc/30/15/99/1133301599.db2.gz AVTWJWQDSJGLLO-MRXNPFEDSA-N 1 2 330.859 3.752 20 10 EHCDLO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769497786 1133301601 /nfs/dbraw/zinc/30/16/01/1133301601.db2.gz AVTWJWQDSJGLLO-MRXNPFEDSA-N 1 2 330.859 3.752 20 10 EHCDLO CC[NH+](CC)[C@@H](C(=O)NCc1ccccc1O)c1ccccc1Cl ZINC001182224764 1133599605 /nfs/dbraw/zinc/59/96/05/1133599605.db2.gz SAWVDWWRWMIKHH-GOSISDBHSA-N 1 2 346.858 3.745 20 10 EHCDLO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001183093470 1133767767 /nfs/dbraw/zinc/76/77/67/1133767767.db2.gz CDLNETVIQMNMCL-INIZCTEOSA-N 1 2 334.822 3.895 20 10 EHCDLO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001183093470 1133767773 /nfs/dbraw/zinc/76/77/73/1133767773.db2.gz CDLNETVIQMNMCL-INIZCTEOSA-N 1 2 334.822 3.895 20 10 EHCDLO COCC[N@H+](Cc1scnc1C)Cc1cc(Cl)cc(F)c1O ZINC000787311300 1133993839 /nfs/dbraw/zinc/99/38/39/1133993839.db2.gz VDWMEYFBJNOFIJ-UHFFFAOYSA-N 1 2 344.839 3.598 20 10 EHCDLO COCC[N@@H+](Cc1scnc1C)Cc1cc(Cl)cc(F)c1O ZINC000787311300 1133993846 /nfs/dbraw/zinc/99/38/46/1133993846.db2.gz VDWMEYFBJNOFIJ-UHFFFAOYSA-N 1 2 344.839 3.598 20 10 EHCDLO C[C@H](O)c1ncc(C[N@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000787769226 1134038484 /nfs/dbraw/zinc/03/84/84/1134038484.db2.gz CKMYDAPCXNXVLJ-ZDUSSCGKSA-N 1 2 344.436 3.697 20 10 EHCDLO C[C@H](O)c1ncc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000787769226 1134038492 /nfs/dbraw/zinc/03/84/92/1134038492.db2.gz CKMYDAPCXNXVLJ-ZDUSSCGKSA-N 1 2 344.436 3.697 20 10 EHCDLO C[C@@H](CCC(F)(F)F)[NH2+]Cc1cccc(Br)c1O ZINC000775153167 1134401867 /nfs/dbraw/zinc/40/18/67/1134401867.db2.gz RIDSBGPNZZXBIZ-QMMMGPOBSA-N 1 2 326.156 3.975 20 10 EHCDLO CCCN(CCC)c1ccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)cc1 ZINC000792191799 1134666470 /nfs/dbraw/zinc/66/64/70/1134666470.db2.gz AHWSVBYSVFGKPJ-IAGOWNOFSA-N 1 2 336.545 3.654 20 10 EHCDLO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000793607079 1134969013 /nfs/dbraw/zinc/96/90/13/1134969013.db2.gz AOPIHJHVUFAISG-BBRMVZONSA-N 1 2 347.842 3.556 20 10 EHCDLO Cc1cc(Br)cc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000775643508 1135385309 /nfs/dbraw/zinc/38/53/09/1135385309.db2.gz SAURYCJJKXPVNT-LBPRGKRZSA-N 1 2 335.245 3.841 20 10 EHCDLO Cc1cc(Br)cc(C[N@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000775643508 1135385315 /nfs/dbraw/zinc/38/53/15/1135385315.db2.gz SAURYCJJKXPVNT-LBPRGKRZSA-N 1 2 335.245 3.841 20 10 EHCDLO CC[C@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1cccc(Cl)c1O ZINC000806131150 1135388325 /nfs/dbraw/zinc/38/83/25/1135388325.db2.gz GYRJSBLSIDKLFI-KRWDZBQOSA-N 1 2 346.858 3.825 20 10 EHCDLO CC[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1cccc(Cl)c1O ZINC000806131856 1135388464 /nfs/dbraw/zinc/38/84/64/1135388464.db2.gz NTBAVBAROJHEBC-ZDUSSCGKSA-N 1 2 338.801 3.971 20 10 EHCDLO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1cccc(Cl)c1O ZINC000806133728 1135389401 /nfs/dbraw/zinc/38/94/01/1135389401.db2.gz CTRKWXXZQIVYCH-CXAGYDPISA-N 1 2 346.858 3.791 20 10 EHCDLO CC[C@H]([NH2+][C@@H](CO)c1ccccc1OC)c1cccc(Cl)c1O ZINC000806145375 1135401054 /nfs/dbraw/zinc/40/10/54/1135401054.db2.gz BADDUMYFIOPKTR-HOTGVXAUSA-N 1 2 335.831 3.829 20 10 EHCDLO CC[C@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1cccc(Cl)c1O ZINC000806162214 1135406060 /nfs/dbraw/zinc/40/60/60/1135406060.db2.gz YLSNVVVMBYNNQS-QAPCUYQASA-N 1 2 333.859 3.998 20 10 EHCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775661734 1135437492 /nfs/dbraw/zinc/43/74/92/1135437492.db2.gz QTMAIVJKUBPBQV-MRVPVSSYSA-N 1 2 349.066 3.759 20 10 EHCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775661734 1135437493 /nfs/dbraw/zinc/43/74/93/1135437493.db2.gz QTMAIVJKUBPBQV-MRVPVSSYSA-N 1 2 349.066 3.759 20 10 EHCDLO COc1ccc(O)c([C@H](C)[NH2+][C@H](CC(C)C)C(=O)OC(C)(C)C)c1 ZINC000809634689 1135863799 /nfs/dbraw/zinc/86/37/99/1135863799.db2.gz KYAVKAOXQRPFEE-XJKSGUPXSA-N 1 2 337.460 3.808 20 10 EHCDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000809720593 1135877985 /nfs/dbraw/zinc/87/79/85/1135877985.db2.gz JDVIFDRCIJBHGB-CQSZACIVSA-N 1 2 340.851 3.535 20 10 EHCDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000809720593 1135877987 /nfs/dbraw/zinc/87/79/87/1135877987.db2.gz JDVIFDRCIJBHGB-CQSZACIVSA-N 1 2 340.851 3.535 20 10 EHCDLO COc1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3O)CC2)cc1 ZINC000776153823 1136004536 /nfs/dbraw/zinc/00/45/36/1136004536.db2.gz FLPVRPLOHBIFAJ-UHFFFAOYSA-N 1 2 346.858 3.813 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518087 1136098075 /nfs/dbraw/zinc/09/80/75/1136098075.db2.gz GJDUANFPMCOCMS-ZBFHGGJFSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518087 1136098080 /nfs/dbraw/zinc/09/80/80/1136098080.db2.gz GJDUANFPMCOCMS-ZBFHGGJFSA-N 1 2 325.811 3.718 20 10 EHCDLO CO[C@](C)(C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C1CC1 ZINC000812734877 1136239310 /nfs/dbraw/zinc/23/93/10/1136239310.db2.gz UFBCPUYBFDWVMV-BJOHPYRUSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Br)cc(F)c1O ZINC000850480977 1136266848 /nfs/dbraw/zinc/26/68/48/1136266848.db2.gz DBVRQEVSWLJZIO-PSASIEDQSA-N 1 2 332.213 3.512 20 10 EHCDLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)c(Cl)cc1O ZINC000850499462 1136272143 /nfs/dbraw/zinc/27/21/43/1136272143.db2.gz QDJWGDFFTZCXJE-RGNHYFCHSA-N 1 2 327.215 3.647 20 10 EHCDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)ccc1N(C)C ZINC000815096428 1136555580 /nfs/dbraw/zinc/55/55/80/1136555580.db2.gz PPKSJBHNGOJZDC-HXUWFJFHSA-N 1 2 346.421 3.913 20 10 EHCDLO Cc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)ccc1N(C)C ZINC000815096428 1136555581 /nfs/dbraw/zinc/55/55/81/1136555581.db2.gz PPKSJBHNGOJZDC-HXUWFJFHSA-N 1 2 346.421 3.913 20 10 EHCDLO COc1cccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)c1OC ZINC000816536239 1136731344 /nfs/dbraw/zinc/73/13/44/1136731344.db2.gz PMAIVUFCOUONSP-UHFFFAOYSA-N 1 2 339.794 3.534 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000816551766 1136736273 /nfs/dbraw/zinc/73/62/73/1136736273.db2.gz OCVMPMIYIJHFOH-AWEZNQCLSA-N 1 2 334.822 3.943 20 10 EHCDLO Oc1c(C[NH2+]Cc2nnc(-c3ccccc3)[nH]2)ccc2ccccc21 ZINC000816563319 1136737228 /nfs/dbraw/zinc/73/72/28/1136737228.db2.gz SZSXHMPBCWJDPW-UHFFFAOYSA-N 1 2 330.391 3.620 20 10 EHCDLO Oc1c(C[NH2+]Cc2nc(-c3ccccc3)n[nH]2)ccc2ccccc21 ZINC000816563319 1136737231 /nfs/dbraw/zinc/73/72/31/1136737231.db2.gz SZSXHMPBCWJDPW-UHFFFAOYSA-N 1 2 330.391 3.620 20 10 EHCDLO CC(C)OCc1nc([C@H](C)[NH2+]Cc2ccc3ccccc3c2O)no1 ZINC000816616234 1136741767 /nfs/dbraw/zinc/74/17/67/1136741767.db2.gz RWQXWCDDMUNGMO-ZDUSSCGKSA-N 1 2 341.411 3.704 20 10 EHCDLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCO1 ZINC000817587156 1136825825 /nfs/dbraw/zinc/82/58/25/1136825825.db2.gz VJYDVLFUBNKKEB-MVWJERBFSA-N 1 2 346.240 3.902 20 10 EHCDLO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Br)c(F)cc1O ZINC000857082456 1136842501 /nfs/dbraw/zinc/84/25/01/1136842501.db2.gz VREVIVJWFDDXSZ-HTQZYQBOSA-N 1 2 338.167 3.990 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cc(Br)cc(F)c1O ZINC000858547077 1136977849 /nfs/dbraw/zinc/97/78/49/1136977849.db2.gz INPCCLUCOLHDJO-PSEJXSGSSA-N 1 2 344.224 3.512 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485577 1137146695 /nfs/dbraw/zinc/14/66/95/1137146695.db2.gz PSDKDLCYMLIVKU-TZMCWYRMSA-N 1 2 339.863 3.845 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485577 1137146697 /nfs/dbraw/zinc/14/66/97/1137146697.db2.gz PSDKDLCYMLIVKU-TZMCWYRMSA-N 1 2 339.863 3.845 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030056 1137162550 /nfs/dbraw/zinc/16/25/50/1137162550.db2.gz DAQPMEAONGUHLF-CJNGLKHVSA-N 1 2 337.847 3.553 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030056 1137162551 /nfs/dbraw/zinc/16/25/51/1137162551.db2.gz DAQPMEAONGUHLF-CJNGLKHVSA-N 1 2 337.847 3.553 20 10 EHCDLO CC[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1cccc(Cl)c1O ZINC000866427540 1137354031 /nfs/dbraw/zinc/35/40/31/1137354031.db2.gz LRIIFXGHZWALPZ-SWLSCSKDSA-N 1 2 327.852 3.876 20 10 EHCDLO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715760674 1137477992 /nfs/dbraw/zinc/47/79/92/1137477992.db2.gz PMJGYMZBSFSNCY-GHMZBOCLSA-N 1 2 334.254 3.668 20 10 EHCDLO [O-]c1c(F)c(F)ccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000877527806 1137679748 /nfs/dbraw/zinc/67/97/48/1137679748.db2.gz RUAJSRBHOIBIGQ-UHFFFAOYSA-N 1 2 335.398 3.559 20 10 EHCDLO Cc1csc([C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000877812654 1137690893 /nfs/dbraw/zinc/69/08/93/1137690893.db2.gz DGWKBHCMGGCCIV-JTQLQIEISA-N 1 2 326.824 3.939 20 10 EHCDLO Cc1csc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000877812654 1137690894 /nfs/dbraw/zinc/69/08/94/1137690894.db2.gz DGWKBHCMGGCCIV-JTQLQIEISA-N 1 2 326.824 3.939 20 10 EHCDLO COCCC1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCC1 ZINC000883042661 1137842586 /nfs/dbraw/zinc/84/25/86/1137842586.db2.gz GSRPMNUGDKNIDH-UHFFFAOYSA-N 1 2 346.240 3.590 20 10 EHCDLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1c(O)cccc1F ZINC000886648472 1138106607 /nfs/dbraw/zinc/10/66/07/1138106607.db2.gz UUHKMIRXCFAHHW-ZETCQYMHSA-N 1 2 331.210 3.601 20 10 EHCDLO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1 ZINC000275751332 1018502517 /nfs/dbraw/zinc/50/25/17/1018502517.db2.gz DKURHAIDJBQFAG-QGZVFWFLSA-N 1 2 349.482 3.692 20 10 EHCDLO Cc1ccccc1NC1=NC(=O)C(=Cc2cccc3[nH+]ccn32)S1 ZINC000255203985 1019294112 /nfs/dbraw/zinc/29/41/12/1019294112.db2.gz UCRLYSOKMTZXFN-RVDMUPIBSA-N 1 2 334.404 3.725 20 10 EHCDLO CN(C)c1ccc(C[N@H+](C)Cc2nccs2)c(C(F)(F)F)c1 ZINC000280104476 1020087244 /nfs/dbraw/zinc/08/72/44/1020087244.db2.gz BPVBNMIQHDEAGG-UHFFFAOYSA-N 1 2 329.391 3.860 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2nccs2)c(C(F)(F)F)c1 ZINC000280104476 1020087251 /nfs/dbraw/zinc/08/72/51/1020087251.db2.gz BPVBNMIQHDEAGG-UHFFFAOYSA-N 1 2 329.391 3.860 20 10 EHCDLO COc1cc(C)cc(C[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)c1O ZINC000894330923 1021682948 /nfs/dbraw/zinc/68/29/48/1021682948.db2.gz YLETXDKNCKBJMQ-ZDUSSCGKSA-N 1 2 339.395 3.610 20 10 EHCDLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)cs1 ZINC000273622752 1027523653 /nfs/dbraw/zinc/52/36/53/1027523653.db2.gz ZOHLTKZAAZWTOK-QWRGUYRKSA-N 1 2 334.441 3.610 20 10 EHCDLO CN1CCCc2cc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)ccc21 ZINC000126438340 1029726000 /nfs/dbraw/zinc/72/60/00/1029726000.db2.gz MTFOBWRNLBREHS-HXUWFJFHSA-N 1 2 332.451 3.671 20 10 EHCDLO CCOC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894026482 1039991075 /nfs/dbraw/zinc/99/10/75/1039991075.db2.gz LPLWWPMFAHRFTG-LLVKDONJSA-N 1 2 346.240 3.542 20 10 EHCDLO CCOC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894026482 1039991065 /nfs/dbraw/zinc/99/10/65/1039991065.db2.gz LPLWWPMFAHRFTG-LLVKDONJSA-N 1 2 346.240 3.542 20 10 EHCDLO CCO[C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000894047845 1040007455 /nfs/dbraw/zinc/00/74/55/1040007455.db2.gz XMYHKQHNEUVUKN-STQMWFEESA-N 1 2 328.250 3.592 20 10 EHCDLO CC1(C)[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)C[C@@H]21 ZINC001141373106 1042741798 /nfs/dbraw/zinc/74/17/98/1042741798.db2.gz NGXVGWHBADKQRN-PHIMTYICSA-N 1 2 330.653 3.896 20 10 EHCDLO CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)C[C@@H]21 ZINC001141373106 1042741802 /nfs/dbraw/zinc/74/18/02/1042741802.db2.gz NGXVGWHBADKQRN-PHIMTYICSA-N 1 2 330.653 3.896 20 10 EHCDLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc2ccccc2c1O ZINC000186251234 1128359462 /nfs/dbraw/zinc/35/94/62/1128359462.db2.gz ZYSWHDRVYSCSDA-OAHLLOKOSA-N 1 2 349.434 3.950 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000715726410 1128959709 /nfs/dbraw/zinc/95/97/09/1128959709.db2.gz UIPPCRBQVMDIGG-QWRGUYRKSA-N 1 2 328.225 3.916 20 10 EHCDLO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000179564468 1123798635 /nfs/dbraw/zinc/79/86/35/1123798635.db2.gz KECHFSIZHPOIEB-QGZVFWFLSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000179564468 1123798636 /nfs/dbraw/zinc/79/86/36/1123798636.db2.gz KECHFSIZHPOIEB-QGZVFWFLSA-N 1 2 348.240 3.728 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000715768944 1129349261 /nfs/dbraw/zinc/34/92/61/1129349261.db2.gz GWMUCZVOVXJTAP-OUAUKWLOSA-N 1 2 328.225 3.820 20 10 EHCDLO CCC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001177308384 1133057323 /nfs/dbraw/zinc/05/73/23/1133057323.db2.gz SPWXXKCFXRTOSV-UHFFFAOYSA-N 1 2 336.794 3.823 20 10 EHCDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768173464 1133105401 /nfs/dbraw/zinc/10/54/01/1133105401.db2.gz VQKGEOHPTMHFHV-RDJZCZTQSA-N 1 2 347.459 3.584 20 10 EHCDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768173464 1133105404 /nfs/dbraw/zinc/10/54/04/1133105404.db2.gz VQKGEOHPTMHFHV-RDJZCZTQSA-N 1 2 347.459 3.584 20 10 EHCDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cccc(O)c1O ZINC000769056050 1133223622 /nfs/dbraw/zinc/22/36/22/1133223622.db2.gz YJCTYGQBUWKDEP-UHFFFAOYSA-N 1 2 349.390 3.550 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001179254191 1133239989 /nfs/dbraw/zinc/23/99/89/1133239989.db2.gz WXASPCZZKHLZMA-UHFFFAOYSA-N 1 2 345.704 3.796 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(Cl)cc(F)c1O ZINC001179898389 1133293999 /nfs/dbraw/zinc/29/39/99/1133293999.db2.gz MRRQOADREOFEIV-CQSZACIVSA-N 1 2 348.849 3.891 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(Cl)cc(F)c1O ZINC001179898389 1133294003 /nfs/dbraw/zinc/29/40/03/1133294003.db2.gz MRRQOADREOFEIV-CQSZACIVSA-N 1 2 348.849 3.891 20 10 EHCDLO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(F)c2O)C12CCC2 ZINC001180133221 1133328644 /nfs/dbraw/zinc/32/86/44/1133328644.db2.gz RZZQZICNDHBHOU-GJZGRUSLSA-N 1 2 327.827 3.964 20 10 EHCDLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2O)C12CCC2 ZINC001180133221 1133328650 /nfs/dbraw/zinc/32/86/50/1133328650.db2.gz RZZQZICNDHBHOU-GJZGRUSLSA-N 1 2 327.827 3.964 20 10 EHCDLO CCC[C@](C)([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(=O)OC ZINC001180353795 1133360578 /nfs/dbraw/zinc/36/05/78/1133360578.db2.gz OXEXJBYXDAKUSF-IBGZPJMESA-N 1 2 337.460 3.520 20 10 EHCDLO C[N@H+](Cc1ccsc1)Cc1cc(Br)cc(F)c1O ZINC001181390917 1133487159 /nfs/dbraw/zinc/48/71/59/1133487159.db2.gz NVOGOAXLUWIOMY-UHFFFAOYSA-N 1 2 330.222 3.987 20 10 EHCDLO C[N@@H+](Cc1ccsc1)Cc1cc(Br)cc(F)c1O ZINC001181390917 1133487162 /nfs/dbraw/zinc/48/71/62/1133487162.db2.gz NVOGOAXLUWIOMY-UHFFFAOYSA-N 1 2 330.222 3.987 20 10 EHCDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2O)C[C@@](C)(C(F)(F)F)O1 ZINC001182033227 1133564127 /nfs/dbraw/zinc/56/41/27/1133564127.db2.gz PFUAMERRSHLULK-AWEZNQCLSA-N 1 2 337.769 3.977 20 10 EHCDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@](C)(C(F)(F)F)O1 ZINC001182033227 1133564131 /nfs/dbraw/zinc/56/41/31/1133564131.db2.gz PFUAMERRSHLULK-AWEZNQCLSA-N 1 2 337.769 3.977 20 10 EHCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCCC[C@H]1O ZINC001183227566 1133781174 /nfs/dbraw/zinc/78/11/74/1133781174.db2.gz TYKLJIJZDAHPSU-CHWSQXEVSA-N 1 2 348.668 3.543 20 10 EHCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCCC[C@H]1O ZINC001183227566 1133781177 /nfs/dbraw/zinc/78/11/77/1133781177.db2.gz TYKLJIJZDAHPSU-CHWSQXEVSA-N 1 2 348.668 3.543 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787332802 1133990657 /nfs/dbraw/zinc/99/06/57/1133990657.db2.gz PSXNOKIJOQWYAA-CQSZACIVSA-N 1 2 348.176 3.800 20 10 EHCDLO CCc1cc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)nc(CC)[nH+]1 ZINC001186781143 1134257314 /nfs/dbraw/zinc/25/73/14/1134257314.db2.gz NGPOOQFXZVWFTP-OAHLLOKOSA-N 1 2 340.471 3.548 20 10 EHCDLO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)CC2 ZINC000790697911 1134454550 /nfs/dbraw/zinc/45/45/50/1134454550.db2.gz OJIHBKFKVKVJAM-SMDDNHRTSA-N 1 2 335.398 3.656 20 10 EHCDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)ccc(Cl)c1F ZINC000792156802 1134659090 /nfs/dbraw/zinc/65/90/90/1134659090.db2.gz NNHVUIBYWQUPEI-UHFFFAOYSA-N 1 2 337.778 3.588 20 10 EHCDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)ccc(Cl)c1F ZINC000792156802 1134659093 /nfs/dbraw/zinc/65/90/93/1134659093.db2.gz NNHVUIBYWQUPEI-UHFFFAOYSA-N 1 2 337.778 3.588 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCOC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000792828219 1134797634 /nfs/dbraw/zinc/79/76/34/1134797634.db2.gz IBQVQILVYSSJKG-UHFFFAOYSA-N 1 2 328.378 3.526 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCOC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000792828219 1134797638 /nfs/dbraw/zinc/79/76/38/1134797638.db2.gz IBQVQILVYSSJKG-UHFFFAOYSA-N 1 2 328.378 3.526 20 10 EHCDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)C1CCSCC1 ZINC000793185130 1134871199 /nfs/dbraw/zinc/87/11/99/1134871199.db2.gz HLIHEJBLKPVEBU-JTQLQIEISA-N 1 2 330.291 3.776 20 10 EHCDLO CCOc1ccccc1N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775638451 1135374026 /nfs/dbraw/zinc/37/40/26/1135374026.db2.gz IHDZKPHPFPDAFR-UHFFFAOYSA-N 1 2 346.858 3.767 20 10 EHCDLO CC[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cccc(Cl)c1O ZINC000806136232 1135390151 /nfs/dbraw/zinc/39/01/51/1135390151.db2.gz VPHBYGDDLUGNMA-INIZCTEOSA-N 1 2 338.879 3.879 20 10 EHCDLO CC[C@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1cccc(Cl)c1O ZINC000806145607 1135400849 /nfs/dbraw/zinc/40/08/49/1135400849.db2.gz DRBRSSZITKWTPG-HOTGVXAUSA-N 1 2 338.879 3.733 20 10 EHCDLO CC[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cccc(Cl)c1O ZINC000806149497 1135401741 /nfs/dbraw/zinc/40/17/41/1135401741.db2.gz UNXUWSNWZKIOOH-HKUYNNGSSA-N 1 2 331.843 3.920 20 10 EHCDLO C[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000775691873 1135531784 /nfs/dbraw/zinc/53/17/84/1135531784.db2.gz HPGRZKVITVFBCM-QMMMGPOBSA-N 1 2 349.066 3.902 20 10 EHCDLO C[C@H]1CCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000775691873 1135531789 /nfs/dbraw/zinc/53/17/89/1135531789.db2.gz HPGRZKVITVFBCM-QMMMGPOBSA-N 1 2 349.066 3.902 20 10 EHCDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2cc(OC)ccc2O)cs1 ZINC000775724207 1135575027 /nfs/dbraw/zinc/57/50/27/1135575027.db2.gz HRMBJZYMVPUTOC-GFCCVEGCSA-N 1 2 336.457 3.587 20 10 EHCDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2cc(OC)ccc2O)cs1 ZINC000775724207 1135575031 /nfs/dbraw/zinc/57/50/31/1135575031.db2.gz HRMBJZYMVPUTOC-GFCCVEGCSA-N 1 2 336.457 3.587 20 10 EHCDLO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775738889 1135597881 /nfs/dbraw/zinc/59/78/81/1135597881.db2.gz LADOQIZBLILOGS-LBPRGKRZSA-N 1 2 343.826 3.740 20 10 EHCDLO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775738889 1135597883 /nfs/dbraw/zinc/59/78/83/1135597883.db2.gz LADOQIZBLILOGS-LBPRGKRZSA-N 1 2 343.826 3.740 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000810026890 1135911770 /nfs/dbraw/zinc/91/17/70/1135911770.db2.gz XNHZGYNDYVNJAE-DOTOQJQBSA-N 1 2 337.847 3.638 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000810026890 1135911773 /nfs/dbraw/zinc/91/17/73/1135911773.db2.gz XNHZGYNDYVNJAE-DOTOQJQBSA-N 1 2 337.847 3.638 20 10 EHCDLO COC(=O)C1CN(c2ccc(Nc3ccc([NH2+]C(C)C)cc3)cc2)C1 ZINC001201499459 1136028733 /nfs/dbraw/zinc/02/87/33/1136028733.db2.gz OKNBHNCOKZYAIM-UHFFFAOYSA-N 1 2 339.439 3.860 20 10 EHCDLO Cn1ccnc1C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000776217767 1136070288 /nfs/dbraw/zinc/07/02/88/1136070288.db2.gz AFONUERQVNCUTO-QGZVFWFLSA-N 1 2 341.842 3.853 20 10 EHCDLO COC1CC(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000850482177 1136267474 /nfs/dbraw/zinc/26/74/74/1136267474.db2.gz MKRFGQMYVMEBNI-WHXUTIOJSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cc(Cl)c(Cl)cc1O ZINC000850499463 1136272067 /nfs/dbraw/zinc/27/20/67/1136272067.db2.gz QDJWGDFFTZCXJE-UBJUHAIHSA-N 1 2 327.215 3.647 20 10 EHCDLO O=C1/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1C1CCC1 ZINC000814185738 1136418695 /nfs/dbraw/zinc/41/86/95/1136418695.db2.gz OTCANRSALTXJOU-XNTDXEJSSA-N 1 2 341.461 3.626 20 10 EHCDLO COC1(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000815641975 1136625186 /nfs/dbraw/zinc/62/51/86/1136625186.db2.gz NOCSDVMQXJGANB-JTQLQIEISA-N 1 2 346.240 3.904 20 10 EHCDLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CCO1 ZINC000817585867 1136826288 /nfs/dbraw/zinc/82/62/88/1136826288.db2.gz JPYZBZZNBFTMMH-GARJFASQSA-N 1 2 346.240 3.902 20 10 EHCDLO Cc1cc(O)c(C[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1Cl ZINC000824701781 1137149300 /nfs/dbraw/zinc/14/93/00/1137149300.db2.gz GQOMKRNAJANKNP-UHFFFAOYSA-N 1 2 347.768 3.745 20 10 EHCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000845972131 1137322664 /nfs/dbraw/zinc/32/26/64/1137322664.db2.gz OXPZPBCOTCJGKS-SECBINFHSA-N 1 2 325.767 3.750 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@H]1CCCO1 ZINC000876531568 1137654786 /nfs/dbraw/zinc/65/47/86/1137654786.db2.gz JONONGWCGJCSNY-OAHLLOKOSA-N 1 2 349.377 3.557 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1ccc(F)c(F)c1O)C[C@H]1CCCO1 ZINC000876531568 1137654787 /nfs/dbraw/zinc/65/47/87/1137654787.db2.gz JONONGWCGJCSNY-OAHLLOKOSA-N 1 2 349.377 3.557 20 10 EHCDLO COc1ccc(N2CCC[N@H+](Cc3nc(Cl)cs3)CC2)cc1 ZINC000876630970 1137657721 /nfs/dbraw/zinc/65/77/21/1137657721.db2.gz OYNRENCVKRNPND-UHFFFAOYSA-N 1 2 337.876 3.517 20 10 EHCDLO COc1ccc(N2CCC[N@@H+](Cc3nc(Cl)cs3)CC2)cc1 ZINC000876630970 1137657722 /nfs/dbraw/zinc/65/77/22/1137657722.db2.gz OYNRENCVKRNPND-UHFFFAOYSA-N 1 2 337.876 3.517 20 10 EHCDLO Oc1c(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)ccc(F)c1F ZINC000876978777 1137666841 /nfs/dbraw/zinc/66/68/41/1137666841.db2.gz OWHRQXQJNHSGEU-NVXWUHKLSA-N 1 2 337.341 3.819 20 10 EHCDLO CCOC(=O)C[N@H+](Cc1cc(C)ccc1O)[C@@H](C)c1ccccc1 ZINC000777439296 1140277099 /nfs/dbraw/zinc/27/70/99/1140277099.db2.gz CVSZFSASHIRABY-INIZCTEOSA-N 1 2 327.424 3.827 20 10 EHCDLO CCOC(=O)C[N@@H+](Cc1cc(C)ccc1O)[C@@H](C)c1ccccc1 ZINC000777439296 1140277103 /nfs/dbraw/zinc/27/71/03/1140277103.db2.gz CVSZFSASHIRABY-INIZCTEOSA-N 1 2 327.424 3.827 20 10 EHCDLO CC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccc(Cl)c1O ZINC000376830433 1017139674 /nfs/dbraw/zinc/13/96/74/1017139674.db2.gz NFSQGALWNXAJKJ-MRXNPFEDSA-N 1 2 342.830 3.867 20 10 EHCDLO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C[C@@H]1C ZINC000894902757 1022059783 /nfs/dbraw/zinc/05/97/83/1022059783.db2.gz LAGDUQLKZCKWPI-TVQRCGJNSA-N 1 2 348.668 3.665 20 10 EHCDLO CC[N@H+](Cc1ccncc1)Cc1cc(Br)cc(F)c1O ZINC000894759915 1022842920 /nfs/dbraw/zinc/84/29/20/1022842920.db2.gz BULMLCBNVJQPNV-UHFFFAOYSA-N 1 2 339.208 3.711 20 10 EHCDLO CC[N@@H+](Cc1ccncc1)Cc1cc(Br)cc(F)c1O ZINC000894759915 1022842939 /nfs/dbraw/zinc/84/29/39/1022842939.db2.gz BULMLCBNVJQPNV-UHFFFAOYSA-N 1 2 339.208 3.711 20 10 EHCDLO C[N@H+](CC1=CCSC1)Cc1cc(Cl)cc(Br)c1O ZINC000895350442 1024362150 /nfs/dbraw/zinc/36/21/50/1024362150.db2.gz MRJBHVMKFJYBSZ-UHFFFAOYSA-N 1 2 348.693 3.913 20 10 EHCDLO C[N@@H+](CC1=CCSC1)Cc1cc(Cl)cc(Br)c1O ZINC000895350442 1024362166 /nfs/dbraw/zinc/36/21/66/1024362166.db2.gz MRJBHVMKFJYBSZ-UHFFFAOYSA-N 1 2 348.693 3.913 20 10 EHCDLO CN(C)c1c(F)c(F)ccc1C[NH2+]Cc1cccc(Cl)c1O ZINC000898215756 1033372340 /nfs/dbraw/zinc/37/23/40/1033372340.db2.gz PVCPHXCOHJYHLT-UHFFFAOYSA-N 1 2 326.774 3.680 20 10 EHCDLO C[C@@H]([NH2+][C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(F)cc1O ZINC000185766798 1035530205 /nfs/dbraw/zinc/53/02/05/1035530205.db2.gz HXRKVJUJDXFDMZ-NEPJUHHUSA-N 1 2 327.359 3.993 20 10 EHCDLO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2nc([C@H](C)OCC(C)C)no2)c1 ZINC000164435178 1035609984 /nfs/dbraw/zinc/60/99/84/1035609984.db2.gz LMQIJTKPLJXRFW-HNNXBMFYSA-N 1 2 347.459 3.758 20 10 EHCDLO Cc1cc(C)c(O)c(C[N@H+](C)Cc2nc([C@H](C)OCC(C)C)no2)c1 ZINC000164435178 1035609994 /nfs/dbraw/zinc/60/99/94/1035609994.db2.gz LMQIJTKPLJXRFW-HNNXBMFYSA-N 1 2 347.459 3.758 20 10 EHCDLO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756532770 1040073400 /nfs/dbraw/zinc/07/34/00/1040073400.db2.gz FQBOUVCHDQMQAD-MNOVXSKESA-N 1 2 347.272 3.675 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2ccoc2C(=O)OC)cc1 ZINC000764825547 1127539630 /nfs/dbraw/zinc/53/96/30/1127539630.db2.gz UUOYXXNCFUILRK-UHFFFAOYSA-N 1 2 330.428 3.544 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccoc2C(=O)OC)cc1 ZINC000764825547 1127539632 /nfs/dbraw/zinc/53/96/32/1127539632.db2.gz UUOYXXNCFUILRK-UHFFFAOYSA-N 1 2 330.428 3.544 20 10 EHCDLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc(N2CCOCC2)cc1 ZINC000921593835 1127755944 /nfs/dbraw/zinc/75/59/44/1127755944.db2.gz UJLNSWQQNKDYMP-HNNXBMFYSA-N 1 2 343.471 3.660 20 10 EHCDLO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nc(C2CC2)no1 ZINC000921740154 1128707140 /nfs/dbraw/zinc/70/71/40/1128707140.db2.gz IQKMQFNGEJDGFW-KRWDZBQOSA-N 1 2 327.428 3.759 20 10 EHCDLO CN(C)c1ccc(C[N@H+](Cc2nnc(C(C)(C)C)o2)C2CC2)cc1 ZINC000917073864 1122470626 /nfs/dbraw/zinc/47/06/26/1122470626.db2.gz FFMQTVQWVGFOJZ-UHFFFAOYSA-N 1 2 328.460 3.598 20 10 EHCDLO CN(C)c1ccc(C[N@@H+](Cc2nnc(C(C)(C)C)o2)C2CC2)cc1 ZINC000917073864 1122470629 /nfs/dbraw/zinc/47/06/29/1122470629.db2.gz FFMQTVQWVGFOJZ-UHFFFAOYSA-N 1 2 328.460 3.598 20 10 EHCDLO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)Cc1nccc(N)n1 ZINC000179645600 1123811656 /nfs/dbraw/zinc/81/16/56/1123811656.db2.gz IXKFUUZQKUVRNF-OAHLLOKOSA-N 1 2 334.423 3.528 20 10 EHCDLO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)Cc1nccc(N)n1 ZINC000179645600 1123811659 /nfs/dbraw/zinc/81/16/59/1123811659.db2.gz IXKFUUZQKUVRNF-OAHLLOKOSA-N 1 2 334.423 3.528 20 10 EHCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179950916 1123905754 /nfs/dbraw/zinc/90/57/54/1123905754.db2.gz ZNMDENQMEWBZSL-JTQLQIEISA-N 1 2 338.167 3.929 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179950916 1123905756 /nfs/dbraw/zinc/90/57/56/1123905756.db2.gz ZNMDENQMEWBZSL-JTQLQIEISA-N 1 2 338.167 3.929 20 10 EHCDLO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715796068 1129488909 /nfs/dbraw/zinc/48/89/09/1129488909.db2.gz NYVFHKHROLGRRX-CYBMUJFWSA-N 1 2 346.240 3.683 20 10 EHCDLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715796068 1129488910 /nfs/dbraw/zinc/48/89/10/1129488910.db2.gz NYVFHKHROLGRRX-CYBMUJFWSA-N 1 2 346.240 3.683 20 10 EHCDLO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000701891683 1130182179 /nfs/dbraw/zinc/18/21/79/1130182179.db2.gz RPVGWMXNJXTMJR-KRWDZBQOSA-N 1 2 340.851 3.535 20 10 EHCDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000738875792 1131490065 /nfs/dbraw/zinc/49/00/65/1131490065.db2.gz CXMUIKWUAZFVIZ-INIZCTEOSA-N 1 2 332.488 3.839 20 10 EHCDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000738875792 1131490066 /nfs/dbraw/zinc/49/00/66/1131490066.db2.gz CXMUIKWUAZFVIZ-INIZCTEOSA-N 1 2 332.488 3.839 20 10 EHCDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C12CCC2 ZINC000742373759 1131716688 /nfs/dbraw/zinc/71/66/88/1131716688.db2.gz ISTPQPWVBRPIAL-UONOGXRCSA-N 1 2 340.261 3.592 20 10 EHCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000743403517 1131907618 /nfs/dbraw/zinc/90/76/18/1131907618.db2.gz URXWFOPYSBDMPO-SFHVURJKSA-N 1 2 341.451 3.969 20 10 EHCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000743403517 1131907624 /nfs/dbraw/zinc/90/76/24/1131907624.db2.gz URXWFOPYSBDMPO-SFHVURJKSA-N 1 2 341.451 3.969 20 10 EHCDLO CCOc1ccc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c(O)c1 ZINC000769527031 1133309256 /nfs/dbraw/zinc/30/92/56/1133309256.db2.gz AHPFFJWVUUUGMS-UHFFFAOYSA-N 1 2 346.374 3.898 20 10 EHCDLO CCOc1ccc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c(O)c1 ZINC000769527031 1133309261 /nfs/dbraw/zinc/30/92/61/1133309261.db2.gz AHPFFJWVUUUGMS-UHFFFAOYSA-N 1 2 346.374 3.898 20 10 EHCDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Cl)c(Cl)cc1O ZINC000774118130 1133614935 /nfs/dbraw/zinc/61/49/35/1133614935.db2.gz VOBHLXKZZKPNHM-PSLIRLAXSA-N 1 2 339.222 3.576 20 10 EHCDLO Oc1cc(Cl)ccc1C[NH+]1CC(O)(c2cccc3ccccc32)C1 ZINC001182625029 1133707409 /nfs/dbraw/zinc/70/74/09/1133707409.db2.gz JTIKMVXPBSZKAB-UHFFFAOYSA-N 1 2 339.822 3.902 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC001182666728 1133712934 /nfs/dbraw/zinc/71/29/34/1133712934.db2.gz QSABFMIFVGCBGX-UHFFFAOYSA-N 1 2 341.741 3.699 20 10 EHCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(F)(F)c2ccccc2)c1 ZINC000788980880 1134206400 /nfs/dbraw/zinc/20/64/00/1134206400.db2.gz OOSQRZFZUPJDTI-GFCCVEGCSA-N 1 2 335.350 3.621 20 10 EHCDLO COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)[NH2+]Cc1ccccc1O ZINC000789579363 1134297480 /nfs/dbraw/zinc/29/74/80/1134297480.db2.gz GWEFWZDCPROZSM-QFBILLFUSA-N 1 2 339.435 3.534 20 10 EHCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(c3ccsc3)C2=O)c1 ZINC000790107247 1134368065 /nfs/dbraw/zinc/36/80/65/1134368065.db2.gz FBUGBEVBKBIOCI-QPEQYQDCSA-N 1 2 348.474 3.866 20 10 EHCDLO Cc1nc(C[NH2+][C@H](C)c2ccc(F)cc2O)sc1Br ZINC000834855969 1135391899 /nfs/dbraw/zinc/39/18/99/1135391899.db2.gz JBTAIXBKPNRVDU-SSDOTTSWSA-N 1 2 345.237 3.910 20 10 EHCDLO COCc1cnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000775649969 1135416930 /nfs/dbraw/zinc/41/69/30/1135416930.db2.gz VPAKRPRDGLQXLB-UHFFFAOYSA-N 1 2 331.485 3.520 20 10 EHCDLO COCc1cnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000775649969 1135416933 /nfs/dbraw/zinc/41/69/33/1135416933.db2.gz VPAKRPRDGLQXLB-UHFFFAOYSA-N 1 2 331.485 3.520 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1O ZINC001196440854 1135557549 /nfs/dbraw/zinc/55/75/49/1135557549.db2.gz IVEHDIODACAHPC-UHFFFAOYSA-N 1 2 349.858 3.639 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1O ZINC001196440854 1135557555 /nfs/dbraw/zinc/55/75/55/1135557555.db2.gz IVEHDIODACAHPC-UHFFFAOYSA-N 1 2 349.858 3.639 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000775738101 1135600499 /nfs/dbraw/zinc/60/04/99/1135600499.db2.gz SCIJXYYVPFKQEH-ZFWWWQNUSA-N 1 2 339.794 3.866 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000775738101 1135600502 /nfs/dbraw/zinc/60/05/02/1135600502.db2.gz SCIJXYYVPFKQEH-ZFWWWQNUSA-N 1 2 339.794 3.866 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000809712164 1135876298 /nfs/dbraw/zinc/87/62/98/1135876298.db2.gz DKCCXZAACFFLLH-UHFFFAOYSA-N 1 2 334.822 3.897 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000809712164 1135876302 /nfs/dbraw/zinc/87/63/02/1135876302.db2.gz DKCCXZAACFFLLH-UHFFFAOYSA-N 1 2 334.822 3.897 20 10 EHCDLO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000809724352 1135879091 /nfs/dbraw/zinc/87/90/91/1135879091.db2.gz IJXWVZINGFQUSD-XHDPSFHLSA-N 1 2 329.271 3.758 20 10 EHCDLO CN(C)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(F)cc1 ZINC001199420982 1135903030 /nfs/dbraw/zinc/90/30/30/1135903030.db2.gz RSBRNMQGKRYZME-MRXNPFEDSA-N 1 2 340.801 3.716 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000810093613 1135920641 /nfs/dbraw/zinc/92/06/41/1135920641.db2.gz OIVLXIODCDVDDG-AEFFLSMTSA-N 1 2 349.858 3.782 20 10 EHCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](CC)c2cc(Cl)ccc2O)no1 ZINC000810256465 1135949219 /nfs/dbraw/zinc/94/92/19/1135949219.db2.gz ZYAFHILKHLLEAP-ZWNOBZJWSA-N 1 2 339.823 3.767 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518481 1136097745 /nfs/dbraw/zinc/09/77/45/1136097745.db2.gz LQBOLCROBGGWOA-GOEBONIOSA-N 1 2 325.811 3.718 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518481 1136097748 /nfs/dbraw/zinc/09/77/48/1136097748.db2.gz LQBOLCROBGGWOA-GOEBONIOSA-N 1 2 325.811 3.718 20 10 EHCDLO COCCCOc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000776252898 1136101768 /nfs/dbraw/zinc/10/17/68/1136101768.db2.gz JBDPKPBZCJGETI-UHFFFAOYSA-N 1 2 335.831 3.751 20 10 EHCDLO CCOc1ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c(O)c1 ZINC000811837962 1136143582 /nfs/dbraw/zinc/14/35/82/1136143582.db2.gz MLJZKMHDUYIZMG-UHFFFAOYSA-N 1 2 342.317 3.739 20 10 EHCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000776725453 1136602622 /nfs/dbraw/zinc/60/26/22/1136602622.db2.gz BFHFOMXLJUOWFV-GDNBJRDFSA-N 1 2 348.493 3.933 20 10 EHCDLO COCc1nc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cs1 ZINC000815628101 1136621216 /nfs/dbraw/zinc/62/12/16/1136621216.db2.gz RJTMSNDFEIFYCO-VIFPVBQESA-N 1 2 346.374 3.865 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000816515242 1136729361 /nfs/dbraw/zinc/72/93/61/1136729361.db2.gz TZKRWZKQPKSDEC-UHFFFAOYSA-N 1 2 331.778 3.660 20 10 EHCDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816585796 1136734932 /nfs/dbraw/zinc/73/49/32/1136734932.db2.gz SBSAEOCWPSCNOJ-ZDUSSCGKSA-N 1 2 341.732 3.728 20 10 EHCDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816585796 1136734933 /nfs/dbraw/zinc/73/49/33/1136734933.db2.gz SBSAEOCWPSCNOJ-ZDUSSCGKSA-N 1 2 341.732 3.728 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1cccc(Cl)c1O ZINC000817588109 1136826431 /nfs/dbraw/zinc/82/64/31/1136826431.db2.gz LWAWCMZMQOGGHT-SWLSCSKDSA-N 1 2 327.852 3.670 20 10 EHCDLO CC[C@@](C)([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nccs1 ZINC000858142599 1136943207 /nfs/dbraw/zinc/94/32/07/1136943207.db2.gz GXPXQSKLRISEOY-MRXNPFEDSA-N 1 2 325.428 3.902 20 10 EHCDLO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000844399715 1137217125 /nfs/dbraw/zinc/21/71/25/1137217125.db2.gz MWEDVTXCDFBAKI-CQSZACIVSA-N 1 2 346.475 3.505 20 10 EHCDLO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000844399715 1137217127 /nfs/dbraw/zinc/21/71/27/1137217127.db2.gz MWEDVTXCDFBAKI-CQSZACIVSA-N 1 2 346.475 3.505 20 10 EHCDLO C[C@@H]1CN(c2ccc(NCc3c(O)cccc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000772940806 1137356720 /nfs/dbraw/zinc/35/67/20/1137356720.db2.gz XBIADCOSUWIZQF-BETUJISGSA-N 1 2 347.846 3.666 20 10 EHCDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000876804202 1137661908 /nfs/dbraw/zinc/66/19/08/1137661908.db2.gz NWXVFMWTHZFQHJ-GXTWGEPZSA-N 1 2 339.407 3.820 20 10 EHCDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000876804202 1137661909 /nfs/dbraw/zinc/66/19/09/1137661909.db2.gz NWXVFMWTHZFQHJ-GXTWGEPZSA-N 1 2 339.407 3.820 20 10 EHCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000882882450 1137836723 /nfs/dbraw/zinc/83/67/23/1137836723.db2.gz LNFHOODLRNJLIH-GOSISDBHSA-N 1 2 332.394 3.597 20 10 EHCDLO CC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000883027043 1137842075 /nfs/dbraw/zinc/84/20/75/1137842075.db2.gz NMNSKKQOZQJMIP-CQSZACIVSA-N 1 2 346.240 3.589 20 10 EHCDLO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1c(O)cccc1F ZINC000886537263 1138092603 /nfs/dbraw/zinc/09/26/03/1138092603.db2.gz XKPZOYIOCHBGIT-HNNXBMFYSA-N 1 2 339.414 3.821 20 10 EHCDLO COC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ccc(F)c(F)c1 ZINC000187828563 1140273355 /nfs/dbraw/zinc/27/33/55/1140273355.db2.gz BONCFAJZRSWWHU-VFZGTOFNSA-N 1 2 343.320 3.987 20 10 EHCDLO CC(C)(C)Oc1cc[nH+]cc1NCc1ccc(N2CCOCC2)cc1 ZINC000158459175 1026542670 /nfs/dbraw/zinc/54/26/70/1026542670.db2.gz GRDLQXLYQMRFRJ-UHFFFAOYSA-N 1 2 341.455 3.708 20 10 EHCDLO CCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708075052 1026699132 /nfs/dbraw/zinc/69/91/32/1026699132.db2.gz IENMXVNLWZUVKP-LBPRGKRZSA-N 1 2 348.668 3.809 20 10 EHCDLO CCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708075052 1026699135 /nfs/dbraw/zinc/69/91/35/1026699135.db2.gz IENMXVNLWZUVKP-LBPRGKRZSA-N 1 2 348.668 3.809 20 10 EHCDLO CCOc1cccc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c1O ZINC000272609158 1029532730 /nfs/dbraw/zinc/53/27/30/1029532730.db2.gz KDQJQZNYHVPLGU-UHFFFAOYSA-N 1 2 349.434 3.535 20 10 EHCDLO CCOc1cccc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1O ZINC000272609158 1029532736 /nfs/dbraw/zinc/53/27/36/1029532736.db2.gz KDQJQZNYHVPLGU-UHFFFAOYSA-N 1 2 349.434 3.535 20 10 EHCDLO C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)cc(F)c1O ZINC000926904319 1031028380 /nfs/dbraw/zinc/02/83/80/1031028380.db2.gz GIFVJJQCDKBSEB-GMOODISLSA-N 1 2 339.304 3.821 20 10 EHCDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000529639163 1034326278 /nfs/dbraw/zinc/32/62/78/1034326278.db2.gz DGNHFVSKBIEAQC-UHFFFAOYSA-N 1 2 331.847 3.691 20 10 EHCDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000529639163 1034326290 /nfs/dbraw/zinc/32/62/90/1034326290.db2.gz DGNHFVSKBIEAQC-UHFFFAOYSA-N 1 2 331.847 3.691 20 10 EHCDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2O)c(C)c1 ZINC000893947198 1039875009 /nfs/dbraw/zinc/87/50/09/1039875009.db2.gz UFDAOJRHCHZCAH-UHFFFAOYSA-N 1 2 348.393 3.666 20 10 EHCDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc(F)cc(F)c2O)c(C)c1 ZINC000893947198 1039875032 /nfs/dbraw/zinc/87/50/32/1039875032.db2.gz UFDAOJRHCHZCAH-UHFFFAOYSA-N 1 2 348.393 3.666 20 10 EHCDLO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756535463 1040153233 /nfs/dbraw/zinc/15/32/33/1040153233.db2.gz QFGXSKFDVJEVOQ-MNOVXSKESA-N 1 2 347.272 3.675 20 10 EHCDLO Cn1c2ccccc2[nH+]c1NCc1cccc(Br)c1O ZINC000764934036 1127555456 /nfs/dbraw/zinc/55/54/56/1127555456.db2.gz HSKXFDCVHRFFQZ-UHFFFAOYSA-N 1 2 332.201 3.654 20 10 EHCDLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000765714293 1127731936 /nfs/dbraw/zinc/73/19/36/1127731936.db2.gz UKQCCERUAQMNDZ-ZDUSSCGKSA-N 1 2 336.888 3.986 20 10 EHCDLO CCN(CC)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000918113103 1122751536 /nfs/dbraw/zinc/75/15/36/1122751536.db2.gz XMZHAKHDRBJMOB-UHFFFAOYSA-N 1 2 348.450 3.649 20 10 EHCDLO CCN(C)c1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182886787 1125388088 /nfs/dbraw/zinc/38/80/88/1125388088.db2.gz LLGAHVKCERXPLZ-MRXNPFEDSA-N 1 2 340.471 3.547 20 10 EHCDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCS1 ZINC000922834962 1129682264 /nfs/dbraw/zinc/68/22/64/1129682264.db2.gz WRYHRSZIOPRGAI-LDYMZIIASA-N 1 2 334.254 3.668 20 10 EHCDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000738947472 1131490875 /nfs/dbraw/zinc/49/08/75/1131490875.db2.gz BMJWGAVMFYRACY-UHFFFAOYSA-N 1 2 337.427 3.502 20 10 EHCDLO CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OC)cc1 ZINC000741781924 1131646975 /nfs/dbraw/zinc/64/69/75/1131646975.db2.gz RJRXQFQBERISPC-OAHLLOKOSA-N 1 2 334.460 3.779 20 10 EHCDLO CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OC)cc1 ZINC000741781924 1131646981 /nfs/dbraw/zinc/64/69/81/1131646981.db2.gz RJRXQFQBERISPC-OAHLLOKOSA-N 1 2 334.460 3.779 20 10 EHCDLO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000810255259 1132732970 /nfs/dbraw/zinc/73/29/70/1132732970.db2.gz YPRZMGGJXHWAGN-GHMZBOCLSA-N 1 2 347.272 3.673 20 10 EHCDLO COc1ccc(N(Cc2c[nH+]cn2C)Cc2ccccc2)cc1OC ZINC001177022123 1133023362 /nfs/dbraw/zinc/02/33/62/1133023362.db2.gz KVOHWRXTGAEAGG-UHFFFAOYSA-N 1 2 337.423 3.644 20 10 EHCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1F ZINC000769544109 1133312393 /nfs/dbraw/zinc/31/23/93/1133312393.db2.gz UNNAAYMDPXYNTN-LJQANCHMSA-N 1 2 332.419 3.838 20 10 EHCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1F ZINC000769544109 1133312398 /nfs/dbraw/zinc/31/23/98/1133312398.db2.gz UNNAAYMDPXYNTN-LJQANCHMSA-N 1 2 332.419 3.838 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](c1ccccc1)N(C)C ZINC000770666258 1133457104 /nfs/dbraw/zinc/45/71/04/1133457104.db2.gz KKOWMQVYTQVBFR-SJKOYZFVSA-N 1 2 336.838 3.966 20 10 EHCDLO COc1c(O)c(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774887366 1134101600 /nfs/dbraw/zinc/10/16/00/1134101600.db2.gz ZFPFWXVNQTWQLW-NSHDSACASA-N 1 2 346.358 3.567 20 10 EHCDLO COc1c(O)c(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774887366 1134101602 /nfs/dbraw/zinc/10/16/02/1134101602.db2.gz ZFPFWXVNQTWQLW-NSHDSACASA-N 1 2 346.358 3.567 20 10 EHCDLO Oc1ccc(Br)cc1C[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001203635539 1134185970 /nfs/dbraw/zinc/18/59/70/1134185970.db2.gz ABFNBGRAQYLILP-GFCCVEGCSA-N 1 2 338.167 3.724 20 10 EHCDLO Oc1ccc(Br)cc1C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001203635539 1134185973 /nfs/dbraw/zinc/18/59/73/1134185973.db2.gz ABFNBGRAQYLILP-GFCCVEGCSA-N 1 2 338.167 3.724 20 10 EHCDLO C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(Br)cc(F)c1O ZINC000790498816 1134426783 /nfs/dbraw/zinc/42/67/83/1134426783.db2.gz SUJOBSOTCRXZIN-RKDXNWHRSA-N 1 2 334.254 3.698 20 10 EHCDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792180776 1134664437 /nfs/dbraw/zinc/66/44/37/1134664437.db2.gz UHOXIGLAECJQJZ-CYBMUJFWSA-N 1 2 341.732 3.728 20 10 EHCDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792180776 1134664441 /nfs/dbraw/zinc/66/44/41/1134664441.db2.gz UHOXIGLAECJQJZ-CYBMUJFWSA-N 1 2 341.732 3.728 20 10 EHCDLO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CC2 ZINC000792183024 1134664447 /nfs/dbraw/zinc/66/44/47/1134664447.db2.gz MIJYBXYQWDHUGS-AWEZNQCLSA-N 1 2 337.826 3.609 20 10 EHCDLO Cc1cc(C(=O)C[N@H+]2CCOCC[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000775567488 1135094855 /nfs/dbraw/zinc/09/48/55/1135094855.db2.gz KVHNRSOFCKSZLC-AWEZNQCLSA-N 1 2 344.430 3.527 20 10 EHCDLO Cc1cc(C(=O)C[N@@H+]2CCOCC[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000775567488 1135094862 /nfs/dbraw/zinc/09/48/62/1135094862.db2.gz KVHNRSOFCKSZLC-AWEZNQCLSA-N 1 2 344.430 3.527 20 10 EHCDLO CC[C@@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1cccc(Cl)c1O ZINC000806145606 1135400714 /nfs/dbraw/zinc/40/07/14/1135400714.db2.gz DRBRSSZITKWTPG-CVEARBPZSA-N 1 2 338.879 3.733 20 10 EHCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1OCCc2ccccc21 ZINC000775661414 1135432938 /nfs/dbraw/zinc/43/29/38/1135432938.db2.gz NIYWJOHTHLTHKN-KRWDZBQOSA-N 1 2 335.806 3.931 20 10 EHCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1OCCc2ccccc21 ZINC000775661414 1135432940 /nfs/dbraw/zinc/43/29/40/1135432940.db2.gz NIYWJOHTHLTHKN-KRWDZBQOSA-N 1 2 335.806 3.931 20 10 EHCDLO CC[N@H+](Cc1cn(-c2ccccc2C)nn1)Cc1ccc(N(C)C)cc1 ZINC000809537609 1135849222 /nfs/dbraw/zinc/84/92/22/1135849222.db2.gz POSATVSRMFKPKZ-UHFFFAOYSA-N 1 2 349.482 3.664 20 10 EHCDLO CC[N@@H+](Cc1cn(-c2ccccc2C)nn1)Cc1ccc(N(C)C)cc1 ZINC000809537609 1135849228 /nfs/dbraw/zinc/84/92/28/1135849228.db2.gz POSATVSRMFKPKZ-UHFFFAOYSA-N 1 2 349.482 3.664 20 10 EHCDLO Cn1cc([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C(C)(C)C)cn1 ZINC000776232000 1136085280 /nfs/dbraw/zinc/08/52/80/1136085280.db2.gz SNEVQPSZEVJERJ-OAHLLOKOSA-N 1 2 325.815 3.795 20 10 EHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)c1cccc(F)c1 ZINC000776232325 1136087005 /nfs/dbraw/zinc/08/70/05/1136087005.db2.gz UBUNEUQPASRHFD-VFZGTOFNSA-N 1 2 327.758 3.536 20 10 EHCDLO OC1(c2ccc(F)cc2)C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000811503709 1136101375 /nfs/dbraw/zinc/10/13/75/1136101375.db2.gz ZSEXQIUDHMFRIY-UHFFFAOYSA-N 1 2 340.442 3.519 20 10 EHCDLO Cc1cc(Br)cc(CNc2ccc(N(C)C)c[nH+]2)c1O ZINC000776251244 1136101721 /nfs/dbraw/zinc/10/17/21/1136101721.db2.gz SACJISWNKWORMQ-UHFFFAOYSA-N 1 2 336.233 3.536 20 10 EHCDLO COc1ccc(N2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)cc1 ZINC001137648208 1136234978 /nfs/dbraw/zinc/23/49/78/1136234978.db2.gz IHYRPOMXQRKMEK-UHFFFAOYSA-N 1 2 334.822 3.810 20 10 EHCDLO CC[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cccc(Cl)c1O ZINC000812736412 1136239920 /nfs/dbraw/zinc/23/99/20/1136239920.db2.gz FWVBDJRHZSKFHA-HNNXBMFYSA-N 1 2 333.863 3.899 20 10 EHCDLO CC[C@@H]([NH2+][C@H](COC)C1CCOCC1)c1cccc(Cl)c1O ZINC000850492738 1136270858 /nfs/dbraw/zinc/27/08/58/1136270858.db2.gz DBMGFZZGNXDJAM-HZPDHXFCSA-N 1 2 327.852 3.528 20 10 EHCDLO COc1cccc([C@@H](C)[NH2+]CC(F)(F)c2cccc(F)c2)c1O ZINC000850503940 1136273577 /nfs/dbraw/zinc/27/35/77/1136273577.db2.gz QMMFRVAZWXMUJE-LLVKDONJSA-N 1 2 325.330 3.983 20 10 EHCDLO C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1cc(F)cc(F)c1O ZINC000815637234 1136624305 /nfs/dbraw/zinc/62/43/05/1136624305.db2.gz QORDMFTUIUMLDN-VIFPVBQESA-N 1 2 346.299 3.978 20 10 EHCDLO COc1ccc(OCCC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816540539 1136731796 /nfs/dbraw/zinc/73/17/96/1136731796.db2.gz OJNQRYLWQJBEIB-UHFFFAOYSA-N 1 2 339.794 3.752 20 10 EHCDLO CN1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H]1c1ccccc1 ZINC000816559595 1136736612 /nfs/dbraw/zinc/73/66/12/1136736612.db2.gz OUIKHAUXCWTFNM-WMZOPIPTSA-N 1 2 334.822 3.720 20 10 EHCDLO CC[C@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1cccc(Cl)c1O ZINC000817588107 1136826538 /nfs/dbraw/zinc/82/65/38/1136826538.db2.gz LWAWCMZMQOGGHT-DOMZBBRYSA-N 1 2 327.852 3.670 20 10 EHCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)N1c2ccccc2C[C@H]1C ZINC000825112967 1137165916 /nfs/dbraw/zinc/16/59/16/1137165916.db2.gz XHNQFDRSFHMKDY-OLZOCXBDSA-N 1 2 344.842 3.502 20 10 EHCDLO C[C@@H]([NH2+]Cc1cccnc1F)c1cc(Br)cc(F)c1O ZINC000794837587 1137275971 /nfs/dbraw/zinc/27/59/71/1137275971.db2.gz UWHDBJTVPDDHPF-MRVPVSSYSA-N 1 2 343.171 3.679 20 10 EHCDLO COCc1cc[nH+]c(NCc2cc(Br)cc(C)c2O)c1 ZINC000846117014 1137333754 /nfs/dbraw/zinc/33/37/54/1137333754.db2.gz JPUXUZYVEBSOHU-UHFFFAOYSA-N 1 2 337.217 3.617 20 10 EHCDLO C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1cc(F)cc(F)c1O ZINC000866641954 1137371835 /nfs/dbraw/zinc/37/18/35/1137371835.db2.gz YJPSCZALMSOYHV-JTQLQIEISA-N 1 2 334.366 3.501 20 10 EHCDLO Cc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)nc1C ZINC000715767024 1137478036 /nfs/dbraw/zinc/47/80/36/1137478036.db2.gz ZPIJAGVLPYOELO-UHFFFAOYSA-N 1 2 339.208 3.595 20 10 EHCDLO Cc1cc(C)c(C[NH2+]Cc2cc(Br)cc(F)c2O)cn1 ZINC000715780960 1137478094 /nfs/dbraw/zinc/47/80/94/1137478094.db2.gz ZYLKGCLGRBKREF-UHFFFAOYSA-N 1 2 339.208 3.595 20 10 EHCDLO CCCOc1ccc(C[NH2+]C(C)(C)c2cc(C(=O)OC)on2)cc1C ZINC000873127298 1137590804 /nfs/dbraw/zinc/59/08/04/1137590804.db2.gz MGLYSOWXHAVXIU-UHFFFAOYSA-N 1 2 346.427 3.583 20 10 EHCDLO Oc1ccccc1C[N@@H+](Cc1nc(Cl)cs1)C[C@H]1CCCO1 ZINC000876532187 1137654738 /nfs/dbraw/zinc/65/47/38/1137654738.db2.gz ZCVKPHBVZQIEMB-CYBMUJFWSA-N 1 2 338.860 3.683 20 10 EHCDLO Oc1ccccc1C[N@H+](Cc1nc(Cl)cs1)C[C@H]1CCCO1 ZINC000876532187 1137654739 /nfs/dbraw/zinc/65/47/39/1137654739.db2.gz ZCVKPHBVZQIEMB-CYBMUJFWSA-N 1 2 338.860 3.683 20 10 EHCDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccc(C)cc2O)o1 ZINC000876629869 1137657653 /nfs/dbraw/zinc/65/76/53/1137657653.db2.gz WSNDAWHYJNVYOX-SFHVURJKSA-N 1 2 335.407 3.692 20 10 EHCDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2Cc2ccc(C)cc2O)o1 ZINC000876629869 1137657654 /nfs/dbraw/zinc/65/76/54/1137657654.db2.gz WSNDAWHYJNVYOX-SFHVURJKSA-N 1 2 335.407 3.692 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCSCCC(F)(F)F ZINC000877730683 1137687103 /nfs/dbraw/zinc/68/71/03/1137687103.db2.gz DULHEGBCMSDMNI-UHFFFAOYSA-N 1 2 331.762 3.960 20 10 EHCDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cs1 ZINC000172393951 1032661665 /nfs/dbraw/zinc/66/16/65/1032661665.db2.gz NAEICGPXNPTTJY-CQSZACIVSA-N 1 2 333.501 3.939 20 10 EHCDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cs1 ZINC000172393951 1032661669 /nfs/dbraw/zinc/66/16/69/1032661669.db2.gz NAEICGPXNPTTJY-CQSZACIVSA-N 1 2 333.501 3.939 20 10 EHCDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC000828019264 1023344861 /nfs/dbraw/zinc/34/48/61/1023344861.db2.gz SKPDXJOPOLFDIC-UHFFFAOYSA-N 1 2 337.826 3.503 20 10 EHCDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC000828019264 1023344866 /nfs/dbraw/zinc/34/48/66/1023344866.db2.gz SKPDXJOPOLFDIC-UHFFFAOYSA-N 1 2 337.826 3.503 20 10 EHCDLO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@@H](O)C(C)C ZINC000840884113 1027439790 /nfs/dbraw/zinc/43/97/90/1027439790.db2.gz ZIKMWCHBVWLQDE-HERUPUMHSA-N 1 2 348.256 3.740 20 10 EHCDLO COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708215987 1028969175 /nfs/dbraw/zinc/96/91/75/1028969175.db2.gz PWLDRXFJGXNQFN-GFCCVEGCSA-N 1 2 348.668 3.809 20 10 EHCDLO COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708215987 1028969182 /nfs/dbraw/zinc/96/91/82/1028969182.db2.gz PWLDRXFJGXNQFN-GFCCVEGCSA-N 1 2 348.668 3.809 20 10 EHCDLO Cc1cc(O)c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c(Cl)c1 ZINC000529669882 1034396309 /nfs/dbraw/zinc/39/63/09/1034396309.db2.gz WCCOGXDJGXWEDN-UHFFFAOYSA-N 1 2 329.831 3.580 20 10 EHCDLO Cc1cc(O)c(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c(Cl)c1 ZINC000529669882 1034396317 /nfs/dbraw/zinc/39/63/17/1034396317.db2.gz WCCOGXDJGXWEDN-UHFFFAOYSA-N 1 2 329.831 3.580 20 10 EHCDLO O=C(c1ccccc1)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893917335 1039826226 /nfs/dbraw/zinc/82/62/26/1039826226.db2.gz UPHULWHDFDWLAE-UHFFFAOYSA-N 1 2 331.362 3.765 20 10 EHCDLO Cc1ncc(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)s1 ZINC000893967292 1039894446 /nfs/dbraw/zinc/89/44/46/1039894446.db2.gz ZSAKEYKDKGAEIH-UHFFFAOYSA-N 1 2 345.237 3.691 20 10 EHCDLO Cc1ncc(C[N@H+](C)Cc2cc(Br)cc(F)c2O)s1 ZINC000893967292 1039894468 /nfs/dbraw/zinc/89/44/68/1039894468.db2.gz ZSAKEYKDKGAEIH-UHFFFAOYSA-N 1 2 345.237 3.691 20 10 EHCDLO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C1(C)C ZINC000766087828 1130236345 /nfs/dbraw/zinc/23/63/45/1130236345.db2.gz FYZSIJIVIXCDQV-ZIAGYGMSSA-N 1 2 342.277 3.836 20 10 EHCDLO COc1ccc(O)c([C@@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)c1 ZINC000186281135 1128373402 /nfs/dbraw/zinc/37/34/02/1128373402.db2.gz ZBVSSWBREKTGRD-CQSZACIVSA-N 1 2 327.428 3.959 20 10 EHCDLO COc1ccc(N2CCC(Nc3cc(C)[nH+]c(C4CC4)n3)CC2)cc1 ZINC000734835541 1131284271 /nfs/dbraw/zinc/28/42/71/1131284271.db2.gz YCYCKDDESXNHSM-UHFFFAOYSA-N 1 2 338.455 3.752 20 10 EHCDLO Cc1noc(C[C@H]([NH2+]Cc2cccc(Cl)c2O)c2ccccc2)n1 ZINC000763544710 1125328410 /nfs/dbraw/zinc/32/84/10/1125328410.db2.gz PNSRBUQQOGUZFJ-INIZCTEOSA-N 1 2 343.814 3.811 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1F ZINC000768425488 1133136958 /nfs/dbraw/zinc/13/69/58/1133136958.db2.gz MWNAPXHISLWUBW-IBGZPJMESA-N 1 2 332.394 3.604 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1F ZINC000768425488 1133136963 /nfs/dbraw/zinc/13/69/63/1133136963.db2.gz MWNAPXHISLWUBW-IBGZPJMESA-N 1 2 332.394 3.604 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000773750267 1133177872 /nfs/dbraw/zinc/17/78/72/1133177872.db2.gz XNOQJVPRULBCFK-FQEVSTJZSA-N 1 2 328.431 3.855 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000773750267 1133177880 /nfs/dbraw/zinc/17/78/80/1133177880.db2.gz XNOQJVPRULBCFK-FQEVSTJZSA-N 1 2 328.431 3.855 20 10 EHCDLO CC[N@H+](Cc1ccoc1)Cc1cc(Br)cc(F)c1O ZINC001179869269 1133296928 /nfs/dbraw/zinc/29/69/28/1133296928.db2.gz QJBMKMLMMBNBOF-UHFFFAOYSA-N 1 2 328.181 3.909 20 10 EHCDLO CC[N@@H+](Cc1ccoc1)Cc1cc(Br)cc(F)c1O ZINC001179869269 1133296932 /nfs/dbraw/zinc/29/69/32/1133296932.db2.gz QJBMKMLMMBNBOF-UHFFFAOYSA-N 1 2 328.181 3.909 20 10 EHCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000769514611 1133307262 /nfs/dbraw/zinc/30/72/62/1133307262.db2.gz NEMJMHSZACFLNQ-ACJLOTCBSA-N 1 2 334.460 3.915 20 10 EHCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000769514611 1133307266 /nfs/dbraw/zinc/30/72/66/1133307266.db2.gz NEMJMHSZACFLNQ-ACJLOTCBSA-N 1 2 334.460 3.915 20 10 EHCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000769799449 1133348081 /nfs/dbraw/zinc/34/80/81/1133348081.db2.gz WRGWODOCGNPCAN-OAHLLOKOSA-N 1 2 343.477 3.687 20 10 EHCDLO Oc1ccc2ccncc2c1C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000769799449 1133348085 /nfs/dbraw/zinc/34/80/85/1133348085.db2.gz WRGWODOCGNPCAN-OAHLLOKOSA-N 1 2 343.477 3.687 20 10 EHCDLO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3cccc(Cl)c3O)C2)cc1 ZINC001183606976 1133827318 /nfs/dbraw/zinc/82/73/18/1133827318.db2.gz QBIOFNXBKRDIJF-OAHLLOKOSA-N 1 2 330.815 3.637 20 10 EHCDLO Oc1cccc(Br)c1C[NH2+]Cc1nc2ccccc2o1 ZINC001183910523 1133877053 /nfs/dbraw/zinc/87/70/53/1133877053.db2.gz YZSDVUSTVWSDPC-UHFFFAOYSA-N 1 2 333.185 3.586 20 10 EHCDLO Oc1ccc(Cl)cc1CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001203665618 1134363138 /nfs/dbraw/zinc/36/31/38/1134363138.db2.gz PMQGSPKZNPTFKT-MRXNPFEDSA-N 1 2 344.833 3.741 20 10 EHCDLO C[C@H]([NH2+]C[C@H]1CCSC1)c1cc(Br)cc(F)c1O ZINC000790498814 1134427071 /nfs/dbraw/zinc/42/70/71/1134427071.db2.gz SUJOBSOTCRXZIN-DTWKUNHWSA-N 1 2 334.254 3.698 20 10 EHCDLO CC(C)[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)C(C)(C)O ZINC000790700860 1134454440 /nfs/dbraw/zinc/45/44/40/1134454440.db2.gz GLIHITZHFGSVPC-OTYXRUKQSA-N 1 2 348.256 3.740 20 10 EHCDLO CCCN(CCC)c1ccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)cc1 ZINC000792191800 1134666183 /nfs/dbraw/zinc/66/61/83/1134666183.db2.gz AHWSVBYSVFGKPJ-IRXDYDNUSA-N 1 2 336.545 3.654 20 10 EHCDLO COc1ccc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2C)c(OC)c1 ZINC000792260807 1134675322 /nfs/dbraw/zinc/67/53/22/1134675322.db2.gz OCOZOPBTSHUYLE-UHFFFAOYSA-N 1 2 337.423 3.834 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCOCC23CCC3)c(C(F)(F)F)c1 ZINC000792827374 1134797093 /nfs/dbraw/zinc/79/70/93/1134797093.db2.gz DBRRAEMCZNKMEC-UHFFFAOYSA-N 1 2 328.378 3.526 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCOCC23CCC3)c(C(F)(F)F)c1 ZINC000792827374 1134797097 /nfs/dbraw/zinc/79/70/97/1134797097.db2.gz DBRRAEMCZNKMEC-UHFFFAOYSA-N 1 2 328.378 3.526 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c1O ZINC001191224722 1134830675 /nfs/dbraw/zinc/83/06/75/1134830675.db2.gz WOHCUDWXMFMAOG-OAHLLOKOSA-N 1 2 327.877 3.822 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCS[C@@H](C(C)C)C2)c1O ZINC001191224722 1134830682 /nfs/dbraw/zinc/83/06/82/1134830682.db2.gz WOHCUDWXMFMAOG-OAHLLOKOSA-N 1 2 327.877 3.822 20 10 EHCDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)c(OC)c1 ZINC000775642815 1135382452 /nfs/dbraw/zinc/38/24/52/1135382452.db2.gz OQOKJPMKQLIFRU-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)c(OC)c1 ZINC000775642815 1135382455 /nfs/dbraw/zinc/38/24/55/1135382455.db2.gz OQOKJPMKQLIFRU-UHFFFAOYSA-N 1 2 339.794 3.834 20 10 EHCDLO CC[C@@H]([NH2+][C@H](CO)c1ccccc1OC)c1cccc(Cl)c1O ZINC000806145376 1135400551 /nfs/dbraw/zinc/40/05/51/1135400551.db2.gz BADDUMYFIOPKTR-HZPDHXFCSA-N 1 2 335.831 3.829 20 10 EHCDLO CC[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806162995 1135404828 /nfs/dbraw/zinc/40/48/28/1135404828.db2.gz KUTLGBXOOCLDRJ-SMDDNHRTSA-N 1 2 342.867 4.000 20 10 EHCDLO OCC[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCCc2ccccc21 ZINC000775695970 1135532398 /nfs/dbraw/zinc/53/23/98/1135532398.db2.gz FQWUJRGCQRWJFP-SFHVURJKSA-N 1 2 331.843 3.918 20 10 EHCDLO OCC[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCCc2ccccc21 ZINC000775695970 1135532402 /nfs/dbraw/zinc/53/24/02/1135532402.db2.gz FQWUJRGCQRWJFP-SFHVURJKSA-N 1 2 331.843 3.918 20 10 EHCDLO OCC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCc2ccccc21 ZINC000775695969 1135532447 /nfs/dbraw/zinc/53/24/47/1135532447.db2.gz FQWUJRGCQRWJFP-GOSISDBHSA-N 1 2 331.843 3.918 20 10 EHCDLO OCC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCc2ccccc21 ZINC000775695969 1135532450 /nfs/dbraw/zinc/53/24/50/1135532450.db2.gz FQWUJRGCQRWJFP-GOSISDBHSA-N 1 2 331.843 3.918 20 10 EHCDLO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cccc(Cl)c2O)C1 ZINC000775723274 1135573381 /nfs/dbraw/zinc/57/33/81/1135573381.db2.gz DZSQFTNCSBDJQR-QGZVFWFLSA-N 1 2 330.859 3.752 20 10 EHCDLO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cccc(Cl)c2O)C1 ZINC000775723274 1135573385 /nfs/dbraw/zinc/57/33/85/1135573385.db2.gz DZSQFTNCSBDJQR-QGZVFWFLSA-N 1 2 330.859 3.752 20 10 EHCDLO C[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccc(N(C)C)cc1 ZINC000775830234 1135787705 /nfs/dbraw/zinc/78/77/05/1135787705.db2.gz FQAUBRDNAIDJLC-LBPRGKRZSA-N 1 2 328.441 3.715 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOCC3(CCCC3)C2)c1O ZINC000775847273 1135812150 /nfs/dbraw/zinc/81/21/50/1135812150.db2.gz AEPVMDHUMHTYEB-UHFFFAOYSA-N 1 2 337.847 3.641 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCOCC3(CCCC3)C2)c1O ZINC000775847273 1135812154 /nfs/dbraw/zinc/81/21/54/1135812154.db2.gz AEPVMDHUMHTYEB-UHFFFAOYSA-N 1 2 337.847 3.641 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000776175755 1136021833 /nfs/dbraw/zinc/02/18/33/1136021833.db2.gz ZVOLOTORRHLSAP-ZDUSSCGKSA-N 1 2 332.241 3.974 20 10 EHCDLO CCC[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@@H+]1Cc1ccccc1 ZINC000776250390 1136101673 /nfs/dbraw/zinc/10/16/73/1136101673.db2.gz ILMZNHPQRHPJEN-INIZCTEOSA-N 1 2 344.480 3.580 20 10 EHCDLO CCC[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@H+]1Cc1ccccc1 ZINC000776250390 1136101677 /nfs/dbraw/zinc/10/16/77/1136101677.db2.gz ILMZNHPQRHPJEN-INIZCTEOSA-N 1 2 344.480 3.580 20 10 EHCDLO COc1ncc(C[N@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000813334751 1136319760 /nfs/dbraw/zinc/31/97/60/1136319760.db2.gz XMRPYEULFADDLV-UHFFFAOYSA-N 1 2 330.409 3.653 20 10 EHCDLO COc1ncc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000813334751 1136319763 /nfs/dbraw/zinc/31/97/63/1136319763.db2.gz XMRPYEULFADDLV-UHFFFAOYSA-N 1 2 330.409 3.653 20 10 EHCDLO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)c(F)cc1O ZINC000813872365 1136370512 /nfs/dbraw/zinc/37/05/12/1136370512.db2.gz DHUQIEXYFKYVCQ-SSDOTTSWSA-N 1 2 338.167 3.990 20 10 EHCDLO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cc(F)cc(F)c1O ZINC000813883798 1136372574 /nfs/dbraw/zinc/37/25/74/1136372574.db2.gz OKMHIPMBYDZESA-WCQYABFASA-N 1 2 336.357 3.739 20 10 EHCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 ZINC000776726891 1136608627 /nfs/dbraw/zinc/60/86/27/1136608627.db2.gz PQFZYQPRBPPMEB-XNTDXEJSSA-N 1 2 342.445 3.804 20 10 EHCDLO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559832 1136736667 /nfs/dbraw/zinc/73/66/67/1136736667.db2.gz WIWLDFKFQWLQRA-MGPLVRAMSA-N 1 2 341.785 3.926 20 10 EHCDLO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)cc(F)c1O ZINC000857080537 1136842631 /nfs/dbraw/zinc/84/26/31/1136842631.db2.gz ICTUMTYXAYVJHE-YUMQZZPRSA-N 1 2 338.167 3.990 20 10 EHCDLO Cc1cc(NCc2cc(Br)ccc2O)nc(C(C)C)[nH+]1 ZINC001160020005 1137055096 /nfs/dbraw/zinc/05/50/96/1137055096.db2.gz XWACYJZTFSWCDD-UHFFFAOYSA-N 1 2 336.233 3.989 20 10 EHCDLO CC(C)COC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccco1 ZINC000876994894 1137667250 /nfs/dbraw/zinc/66/72/50/1137667250.db2.gz RWQRLWZALYMSSB-CQSZACIVSA-N 1 2 325.355 3.767 20 10 EHCDLO Cc1nc2ccccc2n1CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882879927 1137836495 /nfs/dbraw/zinc/83/64/95/1137836495.db2.gz UIJXTVYFAALUCA-UHFFFAOYSA-N 1 2 331.366 3.508 20 10 EHCDLO Cc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c(Cl)n1 ZINC000883293516 1137853306 /nfs/dbraw/zinc/85/33/06/1137853306.db2.gz WASDVENUWDRCAB-UHFFFAOYSA-N 1 2 325.790 3.677 20 10 EHCDLO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC001320664072 1141551264 /nfs/dbraw/zinc/55/12/64/1141551264.db2.gz DPLBUMMOKSKHAM-KXUCPTDWSA-N 1 2 332.213 3.512 20 10 EHCDLO C[C@H]([NH2+][C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(F)cc1O ZINC000184959509 1032346687 /nfs/dbraw/zinc/34/66/87/1032346687.db2.gz INDUUJQCBVOZPF-KPZWWZAWSA-N 1 2 343.377 3.844 20 10 EHCDLO COc1ccc(N2CCC(Nc3[nH+]c4ccccc4n3C)CC2)cc1 ZINC000178811349 1018836058 /nfs/dbraw/zinc/83/60/58/1018836058.db2.gz ADQBCZAMBAEAKB-UHFFFAOYSA-N 1 2 336.439 3.663 20 10 EHCDLO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc(Br)c(F)cc1O ZINC000834905120 1021103252 /nfs/dbraw/zinc/10/32/52/1021103252.db2.gz SVLSMBCXKKHEJR-VIFPVBQESA-N 1 2 348.256 3.742 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000895149438 1025128412 /nfs/dbraw/zinc/12/84/12/1025128412.db2.gz HBVIPBJMTZOWSR-LBPRGKRZSA-N 1 2 336.151 3.525 20 10 EHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000895149438 1025128424 /nfs/dbraw/zinc/12/84/24/1025128424.db2.gz HBVIPBJMTZOWSR-LBPRGKRZSA-N 1 2 336.151 3.525 20 10 EHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000898218465 1033371920 /nfs/dbraw/zinc/37/19/20/1033371920.db2.gz HPWFDKMWNSJZCI-UHFFFAOYSA-N 1 2 333.815 3.887 20 10 EHCDLO C[C@@](CO)([NH2+]Cc1cccc(Br)c1O)C1CCCCC1 ZINC000152762342 1037678047 /nfs/dbraw/zinc/67/80/47/1037678047.db2.gz MELPLRCYGDKZRB-INIZCTEOSA-N 1 2 342.277 3.576 20 10 EHCDLO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756534575 1040158265 /nfs/dbraw/zinc/15/82/65/1040158265.db2.gz KGHMTASUGUARGS-GHMZBOCLSA-N 1 2 347.272 3.675 20 10 EHCDLO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1cc(F)cc(F)c1O ZINC000765810889 1128427901 /nfs/dbraw/zinc/42/79/01/1128427901.db2.gz SVUGKCCMZKREDE-BMLIUANNSA-N 1 2 341.785 3.882 20 10 EHCDLO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1cc(F)cc(F)c1O ZINC000765813763 1128435375 /nfs/dbraw/zinc/43/53/75/1128435375.db2.gz DWSBSZJKZDRFHG-NJSLBKSFSA-N 1 2 346.421 3.842 20 10 EHCDLO CCOc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1OC ZINC001648876657 1120059461 /nfs/dbraw/zinc/05/94/61/1120059461.db2.gz RDFLFKCPSUMZAU-UHFFFAOYSA-N 1 2 339.794 3.882 20 10 EHCDLO COc1c[nH+]c(NCc2cc(Cl)c3cccnc3c2O)cc1C ZINC001168523073 1122548021 /nfs/dbraw/zinc/54/80/21/1122548021.db2.gz YWENONKNDUADBH-UHFFFAOYSA-N 1 2 329.787 3.918 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC000175596289 1123724113 /nfs/dbraw/zinc/72/41/13/1123724113.db2.gz LFHXJHKWKVDJDR-KRWDZBQOSA-N 1 2 347.386 3.508 20 10 EHCDLO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC000175596289 1123724115 /nfs/dbraw/zinc/72/41/15/1123724115.db2.gz LFHXJHKWKVDJDR-KRWDZBQOSA-N 1 2 347.386 3.508 20 10 EHCDLO OCc1cc[nH+]c(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1 ZINC001178992777 1133219937 /nfs/dbraw/zinc/21/99/37/1133219937.db2.gz TXSCSPWEBUIOTF-UHFFFAOYSA-N 1 2 345.446 3.749 20 10 EHCDLO CCCN(CCC)c1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000769467808 1133296476 /nfs/dbraw/zinc/29/64/76/1133296476.db2.gz ZDFLTWKINJPUMQ-QQMNAOGKSA-N 1 2 336.545 3.654 20 10 EHCDLO CCCN(CCC)c1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000769467808 1133296480 /nfs/dbraw/zinc/29/64/80/1133296480.db2.gz ZDFLTWKINJPUMQ-QQMNAOGKSA-N 1 2 336.545 3.654 20 10 EHCDLO CCc1ccc([C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)CCO2)cc1 ZINC001180885398 1133419931 /nfs/dbraw/zinc/41/99/31/1133419931.db2.gz PQINNWYVBQHZEE-SFHVURJKSA-N 1 2 333.378 3.806 20 10 EHCDLO CCc1ccc([C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)CCO2)cc1 ZINC001180885398 1133419934 /nfs/dbraw/zinc/41/99/34/1133419934.db2.gz PQINNWYVBQHZEE-SFHVURJKSA-N 1 2 333.378 3.806 20 10 EHCDLO CC[N@H+](CC(=O)N(C)Cc1ccccc1O)Cc1ccccc1Cl ZINC000774045850 1133592632 /nfs/dbraw/zinc/59/26/32/1133592632.db2.gz ZCSIGTLXZABAIK-UHFFFAOYSA-N 1 2 346.858 3.526 20 10 EHCDLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1O)Cc1ccccc1Cl ZINC000774045850 1133592635 /nfs/dbraw/zinc/59/26/35/1133592635.db2.gz ZCSIGTLXZABAIK-UHFFFAOYSA-N 1 2 346.858 3.526 20 10 EHCDLO Cc1cc(N(C)C)ccc1CNc1nc2ccccc2n2c[nH+]cc12 ZINC001185331108 1134072706 /nfs/dbraw/zinc/07/27/06/1134072706.db2.gz LCJRKQHOYCNZOO-UHFFFAOYSA-N 1 2 331.423 3.869 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000792165583 1134661791 /nfs/dbraw/zinc/66/17/91/1134661791.db2.gz IZILQZHNMWRPJW-LJQANCHMSA-N 1 2 347.817 3.859 20 10 EHCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000792165583 1134661794 /nfs/dbraw/zinc/66/17/94/1134661794.db2.gz IZILQZHNMWRPJW-LJQANCHMSA-N 1 2 347.817 3.859 20 10 EHCDLO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000793607082 1134968912 /nfs/dbraw/zinc/96/89/12/1134968912.db2.gz AOPIHJHVUFAISG-XJKSGUPXSA-N 1 2 347.842 3.556 20 10 EHCDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)cc(F)c1O ZINC000775641852 1135381331 /nfs/dbraw/zinc/38/13/31/1135381331.db2.gz CPZHONUUNCBSQT-UHFFFAOYSA-N 1 2 337.778 3.588 20 10 EHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000775645006 1135392790 /nfs/dbraw/zinc/39/27/90/1135392790.db2.gz AHQDKWDKHZSSLX-UHFFFAOYSA-N 1 2 348.849 3.893 20 10 EHCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000775645006 1135392796 /nfs/dbraw/zinc/39/27/96/1135392796.db2.gz AHQDKWDKHZSSLX-UHFFFAOYSA-N 1 2 348.849 3.893 20 10 EHCDLO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1OC)c1cccc(Cl)c1O ZINC000806145374 1135400898 /nfs/dbraw/zinc/40/08/98/1135400898.db2.gz BADDUMYFIOPKTR-CVEARBPZSA-N 1 2 335.831 3.829 20 10 EHCDLO CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161135 1135404191 /nfs/dbraw/zinc/40/41/91/1135404191.db2.gz NIKYWCGLJZATOQ-FZMZJTMJSA-N 1 2 340.254 3.951 20 10 EHCDLO CC[C@H]([NH2+][C@H](CO)Cc1ccccc1C)c1cccc(Cl)c1O ZINC000806160945 1135404225 /nfs/dbraw/zinc/40/42/25/1135404225.db2.gz MEWVXZFTBSRJPP-YJBOKZPZSA-N 1 2 333.859 3.998 20 10 EHCDLO CCS[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775833200 1135790646 /nfs/dbraw/zinc/79/06/46/1135790646.db2.gz HZEYSSYTJWGVTI-STQMWFEESA-N 1 2 334.489 3.801 20 10 EHCDLO CCCCCC[C@@H](CC)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001170582915 1135852942 /nfs/dbraw/zinc/85/29/42/1135852942.db2.gz ZBECAFAXTZMAQB-CVEARBPZSA-N 1 2 337.460 3.521 20 10 EHCDLO Cc1ccc(O)c(C[NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1 ZINC000776254943 1136102675 /nfs/dbraw/zinc/10/26/75/1136102675.db2.gz PLMJUIMTMWKGNV-SFHVURJKSA-N 1 2 341.451 3.743 20 10 EHCDLO Oc1c(Br)cccc1C[NH+]1CC(c2ccccc2F)C1 ZINC000812791312 1136247921 /nfs/dbraw/zinc/24/79/21/1136247921.db2.gz RSBYEYCPFUBKOE-UHFFFAOYSA-N 1 2 336.204 3.893 20 10 EHCDLO COC1CC(CC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000850480921 1136266829 /nfs/dbraw/zinc/26/68/29/1136266829.db2.gz CPLAKKKMDPLINN-GRZMOONWSA-N 1 2 346.240 3.760 20 10 EHCDLO CC[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cccc(Cl)c1O ZINC000850531390 1136279890 /nfs/dbraw/zinc/27/98/90/1136279890.db2.gz CTWBTVFKBBKLDP-GUTXKFCHSA-N 1 2 331.790 3.901 20 10 EHCDLO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000850579318 1136291888 /nfs/dbraw/zinc/29/18/88/1136291888.db2.gz UIAUZMDKANFHJP-WDEREUQCSA-N 1 2 344.402 3.576 20 10 EHCDLO Cc1noc(C2CCC([NH2+]Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000816554987 1136736045 /nfs/dbraw/zinc/73/60/45/1136736045.db2.gz PYDSFOHPFQOAKO-UHFFFAOYSA-N 1 2 339.798 3.692 20 10 EHCDLO CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1[O-] ZINC000817942729 1136848999 /nfs/dbraw/zinc/84/89/99/1136848999.db2.gz QQMYXELVTCSGPW-MSOLQXFVSA-N 1 2 347.890 3.852 20 10 EHCDLO CC[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc(Cl)c1O ZINC000858479131 1136971791 /nfs/dbraw/zinc/97/17/91/1136971791.db2.gz IZJCDRSXBPDYIN-RISCZKNCSA-N 1 2 332.822 3.816 20 10 EHCDLO CCOc1cccc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)c1O ZINC000824445516 1137138330 /nfs/dbraw/zinc/13/83/30/1137138330.db2.gz CMRDBYUCZPFVGY-UHFFFAOYSA-N 1 2 338.411 3.507 20 10 EHCDLO Cc1cc2cc(NCc3cc(Br)ccc3O)[nH+]cc2[nH]1 ZINC001171174104 1137283175 /nfs/dbraw/zinc/28/31/75/1137283175.db2.gz IJXYVFPJDSPESF-UHFFFAOYSA-N 1 2 332.201 3.952 20 10 EHCDLO C[C@H]1CN(c2ccc(NCc3c(O)cccc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000772940813 1137356724 /nfs/dbraw/zinc/35/67/24/1137356724.db2.gz XBIADCOSUWIZQF-STQMWFEESA-N 1 2 347.846 3.666 20 10 EHCDLO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745169 1137478209 /nfs/dbraw/zinc/47/82/09/1137478209.db2.gz KSWLKNGOYMKKOQ-LURJTMIESA-N 1 2 330.119 3.724 20 10 EHCDLO Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ccc1[NH+](C)C ZINC000876845796 1137663465 /nfs/dbraw/zinc/66/34/65/1137663465.db2.gz XFNWHCCQLZJZQJ-UHFFFAOYSA-N 1 2 339.483 3.634 20 10 EHCDLO CCn1nc(C)c(C[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)c1C ZINC000879118951 1137738558 /nfs/dbraw/zinc/73/85/58/1137738558.db2.gz UHPGWQUECYXITR-UHFFFAOYSA-N 1 2 349.862 3.713 20 10 EHCDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)c1C ZINC000879118951 1137738559 /nfs/dbraw/zinc/73/85/59/1137738559.db2.gz UHPGWQUECYXITR-UHFFFAOYSA-N 1 2 349.862 3.713 20 10 EHCDLO CCCc1ncc(C[NH2+]Cc2cc(Br)cc(F)c2O)o1 ZINC000883136892 1137846041 /nfs/dbraw/zinc/84/60/41/1137846041.db2.gz RBZBIZOCJAYYRS-UHFFFAOYSA-N 1 2 343.196 3.524 20 10 EHCDLO COc1cc(C[N@H+](C)[C@@H](C)c2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000826534973 1138214911 /nfs/dbraw/zinc/21/49/11/1138214911.db2.gz NWLCZTHQVLEDPX-NSHDSACASA-N 1 2 333.432 3.583 20 10 EHCDLO COc1cc(C[N@@H+](C)[C@@H](C)c2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000826534973 1138214912 /nfs/dbraw/zinc/21/49/12/1138214912.db2.gz NWLCZTHQVLEDPX-NSHDSACASA-N 1 2 333.432 3.583 20 10 EHCDLO COc1cc(C[N@H+](C)[C@H](C)c2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000826534972 1138214936 /nfs/dbraw/zinc/21/49/36/1138214936.db2.gz NWLCZTHQVLEDPX-LLVKDONJSA-N 1 2 333.432 3.583 20 10 EHCDLO COc1cc(C[N@@H+](C)[C@H](C)c2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000826534972 1138214937 /nfs/dbraw/zinc/21/49/37/1138214937.db2.gz NWLCZTHQVLEDPX-LLVKDONJSA-N 1 2 333.432 3.583 20 10 EHCDLO COC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCCC1 ZINC000834814891 1020769078 /nfs/dbraw/zinc/76/90/78/1020769078.db2.gz QEKPLWLTTXZNQM-JTQLQIEISA-N 1 2 346.240 3.904 20 10 EHCDLO Cc1n[nH]c(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)c1C ZINC000894763246 1022875863 /nfs/dbraw/zinc/87/58/63/1022875863.db2.gz LGBPEAKDCBJRCZ-UHFFFAOYSA-N 1 2 338.455 3.888 20 10 EHCDLO Cc1n[nH]c(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)c1C ZINC000894763246 1022875877 /nfs/dbraw/zinc/87/58/77/1022875877.db2.gz LGBPEAKDCBJRCZ-UHFFFAOYSA-N 1 2 338.455 3.888 20 10 EHCDLO Oc1c(Br)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403588830 1023817834 /nfs/dbraw/zinc/81/78/34/1023817834.db2.gz YSEJGBVFJJWXQE-YOGCLGLASA-N 1 2 328.275 3.671 20 10 EHCDLO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(Br)c1O ZINC000105446994 1024942685 /nfs/dbraw/zinc/94/26/85/1024942685.db2.gz QBSFOWRYDREFAV-LLVKDONJSA-N 1 2 336.229 3.581 20 10 EHCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H]1CCCCO1 ZINC000708147229 1028177751 /nfs/dbraw/zinc/17/77/51/1028177751.db2.gz WEUSYDPSKMTPPI-GFCCVEGCSA-N 1 2 348.668 3.809 20 10 EHCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H]1CCCCO1 ZINC000708147229 1028177759 /nfs/dbraw/zinc/17/77/59/1028177759.db2.gz WEUSYDPSKMTPPI-GFCCVEGCSA-N 1 2 348.668 3.809 20 10 EHCDLO Oc1c(Cl)cccc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000271714967 1029135984 /nfs/dbraw/zinc/13/59/84/1029135984.db2.gz BZEKQNRUXMWGGB-GOSISDBHSA-N 1 2 331.843 3.991 20 10 EHCDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1cc2c(cc1O)CCC2 ZINC000173904353 1033613547 /nfs/dbraw/zinc/61/35/47/1033613547.db2.gz SFGZZPVTZBLHQD-UHFFFAOYSA-N 1 2 342.386 3.988 20 10 EHCDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1cc2c(cc1O)CCC2 ZINC000173904353 1033613569 /nfs/dbraw/zinc/61/35/69/1033613569.db2.gz SFGZZPVTZBLHQD-UHFFFAOYSA-N 1 2 342.386 3.988 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000177021847 1034007307 /nfs/dbraw/zinc/00/73/07/1034007307.db2.gz RPZCVLAHFBESID-UHFFFAOYSA-N 1 2 348.786 3.788 20 10 EHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000177021847 1034007321 /nfs/dbraw/zinc/00/73/21/1034007321.db2.gz RPZCVLAHFBESID-UHFFFAOYSA-N 1 2 348.786 3.788 20 10 EHCDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1noc(-c2ccccc2)n1 ZINC000185766833 1035528829 /nfs/dbraw/zinc/52/88/29/1035528829.db2.gz HXRKVJUJDXFDMZ-VXGBXAGGSA-N 1 2 327.359 3.993 20 10 EHCDLO COC(=O)C[N@H+](Cc1ccc(C)cc1C)Cc1cc(Cl)ccc1O ZINC001167742049 1039492208 /nfs/dbraw/zinc/49/22/08/1039492208.db2.gz WJFZWWXWKNXLQT-UHFFFAOYSA-N 1 2 347.842 3.838 20 10 EHCDLO COC(=O)C[N@@H+](Cc1ccc(C)cc1C)Cc1cc(Cl)ccc1O ZINC001167742049 1039492213 /nfs/dbraw/zinc/49/22/13/1039492213.db2.gz WJFZWWXWKNXLQT-UHFFFAOYSA-N 1 2 347.842 3.838 20 10 EHCDLO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756534579 1040141627 /nfs/dbraw/zinc/14/16/27/1040141627.db2.gz KGHMTASUGUARGS-WDEREUQCSA-N 1 2 347.272 3.675 20 10 EHCDLO O=C1CCCN1c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001648802265 1120041792 /nfs/dbraw/zinc/04/17/92/1120041792.db2.gz CVNSMRHSDYCYKI-UHFFFAOYSA-N 1 2 348.805 3.601 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000773748546 1133175351 /nfs/dbraw/zinc/17/53/51/1133175351.db2.gz NHTOZYUOBHZFNB-FQEVSTJZSA-N 1 2 346.421 3.994 20 10 EHCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000773748546 1133175353 /nfs/dbraw/zinc/17/53/53/1133175353.db2.gz NHTOZYUOBHZFNB-FQEVSTJZSA-N 1 2 346.421 3.994 20 10 EHCDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)on1 ZINC000768877719 1133195110 /nfs/dbraw/zinc/19/51/10/1133195110.db2.gz KHGGGKXCEBJOQE-ZDUSSCGKSA-N 1 2 337.217 3.788 20 10 EHCDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(Br)c2O)on1 ZINC000768877719 1133195114 /nfs/dbraw/zinc/19/51/14/1133195114.db2.gz KHGGGKXCEBJOQE-ZDUSSCGKSA-N 1 2 337.217 3.788 20 10 EHCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000769099920 1133224246 /nfs/dbraw/zinc/22/42/46/1133224246.db2.gz HFSFLZDFQHJNDA-HNNXBMFYSA-N 1 2 347.459 3.584 20 10 EHCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000769099920 1133224249 /nfs/dbraw/zinc/22/42/49/1133224249.db2.gz HFSFLZDFQHJNDA-HNNXBMFYSA-N 1 2 347.459 3.584 20 10 EHCDLO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000769105496 1133226645 /nfs/dbraw/zinc/22/66/45/1133226645.db2.gz MAPZKBYQTQVZQF-NVXWUHKLSA-N 1 2 347.459 3.584 20 10 EHCDLO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000769105496 1133226649 /nfs/dbraw/zinc/22/66/49/1133226649.db2.gz MAPZKBYQTQVZQF-NVXWUHKLSA-N 1 2 347.459 3.584 20 10 EHCDLO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC001179771371 1133277136 /nfs/dbraw/zinc/27/71/36/1133277136.db2.gz AYKFUEWRPXWJJN-PBHICJAKSA-N 1 2 330.859 3.971 20 10 EHCDLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC001181465297 1133490326 /nfs/dbraw/zinc/49/03/26/1133490326.db2.gz WIQDAJIWRBBGQF-UONOGXRCSA-N 1 2 342.277 3.838 20 10 EHCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000785764161 1133750039 /nfs/dbraw/zinc/75/00/39/1133750039.db2.gz QHXASEJOHCNPFX-IBGZPJMESA-N 1 2 347.466 3.875 20 10 EHCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000785764161 1133750044 /nfs/dbraw/zinc/75/00/44/1133750044.db2.gz QHXASEJOHCNPFX-IBGZPJMESA-N 1 2 347.466 3.875 20 10 EHCDLO CCC(O)(CC)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000788263992 1134102847 /nfs/dbraw/zinc/10/28/47/1134102847.db2.gz WEFYJFRUORAEQX-JTQLQIEISA-N 1 2 348.256 3.886 20 10 EHCDLO CC[C@H]([NH2+]C1CCN(CCCOC)CC1)c1cc(Cl)ccc1O ZINC000775500766 1134967304 /nfs/dbraw/zinc/96/73/04/1134967304.db2.gz KVXHAMSYIKHXRC-KRWDZBQOSA-N 1 2 340.895 3.587 20 10 EHCDLO C[N@H+](CCOc1ccccc1F)Cc1cc(Cl)cc(F)c1O ZINC000775647001 1135389973 /nfs/dbraw/zinc/38/99/73/1135389973.db2.gz QEVCQPAKRJILSK-UHFFFAOYSA-N 1 2 327.758 3.835 20 10 EHCDLO C[N@@H+](CCOc1ccccc1F)Cc1cc(Cl)cc(F)c1O ZINC000775647001 1135389978 /nfs/dbraw/zinc/38/99/78/1135389978.db2.gz QEVCQPAKRJILSK-UHFFFAOYSA-N 1 2 327.758 3.835 20 10 EHCDLO CC[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cccc(Cl)c1O ZINC000806148520 1135401712 /nfs/dbraw/zinc/40/17/12/1135401712.db2.gz HVQKFPGMBNFNAF-MRXNPFEDSA-N 1 2 331.847 3.996 20 10 EHCDLO Cc1c[nH]c(CCNC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)[nH+]1 ZINC001195277837 1135404401 /nfs/dbraw/zinc/40/44/01/1135404401.db2.gz CATLZAJKLZBNPL-WCWDXBQESA-N 1 2 349.394 3.812 20 10 EHCDLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775648581 1135407056 /nfs/dbraw/zinc/40/70/56/1135407056.db2.gz CWYATVDPMFKTRH-UHFFFAOYSA-N 1 2 333.815 3.611 20 10 EHCDLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775648581 1135407058 /nfs/dbraw/zinc/40/70/58/1135407058.db2.gz CWYATVDPMFKTRH-UHFFFAOYSA-N 1 2 333.815 3.611 20 10 EHCDLO CCOC(=O)CCC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775726949 1135583622 /nfs/dbraw/zinc/58/36/22/1135583622.db2.gz CEZLTBGYSWVYQQ-UHFFFAOYSA-N 1 2 325.836 3.601 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000775738099 1135600759 /nfs/dbraw/zinc/60/07/59/1135600759.db2.gz SCIJXYYVPFKQEH-UKRRQHHQSA-N 1 2 339.794 3.866 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000775738099 1135600761 /nfs/dbraw/zinc/60/07/61/1135600761.db2.gz SCIJXYYVPFKQEH-UKRRQHHQSA-N 1 2 339.794 3.866 20 10 EHCDLO Oc1c(Cl)cc(Cl)cc1CNc1c[nH+]ccc1-n1cccn1 ZINC000809632720 1135863013 /nfs/dbraw/zinc/86/30/13/1135863013.db2.gz UMYUNIGUNJIRMD-UHFFFAOYSA-N 1 2 335.194 3.892 20 10 EHCDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000809720592 1135878445 /nfs/dbraw/zinc/87/84/45/1135878445.db2.gz JDVIFDRCIJBHGB-AWEZNQCLSA-N 1 2 340.851 3.535 20 10 EHCDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000809720592 1135878448 /nfs/dbraw/zinc/87/84/48/1135878448.db2.gz JDVIFDRCIJBHGB-AWEZNQCLSA-N 1 2 340.851 3.535 20 10 EHCDLO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)cc(F)c1O)C(C)C ZINC000776020662 1135920705 /nfs/dbraw/zinc/92/07/05/1135920705.db2.gz QWOTXRONWPEWNS-MRXNPFEDSA-N 1 2 331.815 3.642 20 10 EHCDLO Cc1cc(O)c(C[NH2+]Cc2nc(C)c3ccccc3n2)c(Cl)c1 ZINC001199991189 1135943549 /nfs/dbraw/zinc/94/35/49/1135943549.db2.gz SVAFPIZNEFZZEW-UHFFFAOYSA-N 1 2 327.815 3.895 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512587 1136103689 /nfs/dbraw/zinc/10/36/89/1136103689.db2.gz FUPZBQPPUFAAKR-INIZCTEOSA-N 1 2 346.833 3.822 20 10 EHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512587 1136103690 /nfs/dbraw/zinc/10/36/90/1136103690.db2.gz FUPZBQPPUFAAKR-INIZCTEOSA-N 1 2 346.833 3.822 20 10 EHCDLO Cc1cccc(C[NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1O ZINC000776257251 1136113794 /nfs/dbraw/zinc/11/37/94/1136113794.db2.gz KBHBGRSVSYJOIQ-GOSISDBHSA-N 1 2 341.451 3.743 20 10 EHCDLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cc(Cl)c(Cl)cc1O ZINC000850499464 1136272104 /nfs/dbraw/zinc/27/21/04/1136272104.db2.gz QDJWGDFFTZCXJE-YVZVNANGSA-N 1 2 327.215 3.647 20 10 EHCDLO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Br)cc(F)c1O ZINC000850571668 1136289144 /nfs/dbraw/zinc/28/91/44/1136289144.db2.gz SWNSWEDAEKCNIP-ZJUUUORDSA-N 1 2 346.240 3.760 20 10 EHCDLO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000850579315 1136291656 /nfs/dbraw/zinc/29/16/56/1136291656.db2.gz UIAUZMDKANFHJP-GHMZBOCLSA-N 1 2 344.402 3.576 20 10 EHCDLO COc1ccc(N2CCCN(c3[nH+]ccc4c(N)cccc43)CC2)cc1 ZINC000853214792 1136517543 /nfs/dbraw/zinc/51/75/43/1136517543.db2.gz MATGCQFUEXSXJJ-UHFFFAOYSA-N 1 2 348.450 3.542 20 10 EHCDLO CCN(C)c1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000815116110 1136551138 /nfs/dbraw/zinc/55/11/38/1136551138.db2.gz ADEQNVQVGJLPBY-UHFFFAOYSA-N 1 2 342.468 3.886 20 10 EHCDLO CCN(C)c1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000815116110 1136551141 /nfs/dbraw/zinc/55/11/41/1136551141.db2.gz ADEQNVQVGJLPBY-UHFFFAOYSA-N 1 2 342.468 3.886 20 10 EHCDLO COC1(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CCC1 ZINC000815642314 1136625211 /nfs/dbraw/zinc/62/52/11/1136625211.db2.gz YFXIWIWRTSLTNT-SNVBAGLBSA-N 1 2 346.240 3.904 20 10 EHCDLO C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1cc(F)cc(F)c1O ZINC000815644448 1136625305 /nfs/dbraw/zinc/62/53/05/1136625305.db2.gz BASSPXUNCABLCE-VIFPVBQESA-N 1 2 346.299 3.978 20 10 EHCDLO Oc1c(Br)cccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667524 1136747333 /nfs/dbraw/zinc/74/73/33/1136747333.db2.gz PESXQPIICDEEDB-CQSZACIVSA-N 1 2 340.261 3.546 20 10 EHCDLO Oc1c(Br)cccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667524 1136747335 /nfs/dbraw/zinc/74/73/35/1136747335.db2.gz PESXQPIICDEEDB-CQSZACIVSA-N 1 2 340.261 3.546 20 10 EHCDLO CCCc1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000114721160 1136829208 /nfs/dbraw/zinc/82/92/08/1136829208.db2.gz XUXYKWBKKMWDQX-KRWDZBQOSA-N 1 2 346.496 3.982 20 10 EHCDLO CCCc1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000114721160 1136829211 /nfs/dbraw/zinc/82/92/11/1136829211.db2.gz XUXYKWBKKMWDQX-KRWDZBQOSA-N 1 2 346.496 3.982 20 10 EHCDLO CN(C)c1cc(F)c(C[NH2+]Cc2c(F)cc(F)cc2F)cc1F ZINC000858168376 1136946134 /nfs/dbraw/zinc/94/61/34/1136946134.db2.gz UAEWTJCWDYEFBT-UHFFFAOYSA-N 1 2 330.300 3.738 20 10 EHCDLO Cn1nc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000859060398 1137001643 /nfs/dbraw/zinc/00/16/43/1137001643.db2.gz RFNIDEUXSOFQEB-UHFFFAOYSA-N 1 2 332.879 3.696 20 10 EHCDLO Cn1nc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000859060398 1137001645 /nfs/dbraw/zinc/00/16/45/1137001645.db2.gz RFNIDEUXSOFQEB-UHFFFAOYSA-N 1 2 332.879 3.696 20 10 EHCDLO CN(C)c1cc(F)c(C[N@H+](C)Cc2ccc(Cl)nc2)cc1F ZINC000862216514 1137132794 /nfs/dbraw/zinc/13/27/94/1137132794.db2.gz ZIYNRJBBSHELTL-UHFFFAOYSA-N 1 2 325.790 3.711 20 10 EHCDLO CN(C)c1cc(F)c(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1F ZINC000862216514 1137132795 /nfs/dbraw/zinc/13/27/95/1137132795.db2.gz ZIYNRJBBSHELTL-UHFFFAOYSA-N 1 2 325.790 3.711 20 10 EHCDLO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCn3cncc3C2)cc1 ZINC000824416900 1137138558 /nfs/dbraw/zinc/13/85/58/1137138558.db2.gz OXVZIHZISMGYLK-UHFFFAOYSA-N 1 2 338.480 3.597 20 10 EHCDLO CN(Cc1cccs1)c1ccc(C[N@H+]2CCn3cncc3C2)cc1 ZINC000824416900 1137138559 /nfs/dbraw/zinc/13/85/59/1137138559.db2.gz OXVZIHZISMGYLK-UHFFFAOYSA-N 1 2 338.480 3.597 20 10 EHCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)N1c2ccccc2C[C@@H]1C ZINC000825112970 1137166002 /nfs/dbraw/zinc/16/60/02/1137166002.db2.gz XHNQFDRSFHMKDY-STQMWFEESA-N 1 2 344.842 3.502 20 10 EHCDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000876804204 1137661961 /nfs/dbraw/zinc/66/19/61/1137661961.db2.gz NWXVFMWTHZFQHJ-OCCSQVGLSA-N 1 2 339.407 3.820 20 10 EHCDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000876804204 1137661962 /nfs/dbraw/zinc/66/19/62/1137661962.db2.gz NWXVFMWTHZFQHJ-OCCSQVGLSA-N 1 2 339.407 3.820 20 10 EHCDLO O=C1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)Oc2ccccc21 ZINC000877589211 1137682284 /nfs/dbraw/zinc/68/22/84/1137682284.db2.gz JIGGDCOOTOOOTH-LJQANCHMSA-N 1 2 343.810 3.656 20 10 EHCDLO O=C1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)Oc2ccccc21 ZINC000877589211 1137682285 /nfs/dbraw/zinc/68/22/85/1137682285.db2.gz JIGGDCOOTOOOTH-LJQANCHMSA-N 1 2 343.810 3.656 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877673764 1137685401 /nfs/dbraw/zinc/68/54/01/1137685401.db2.gz RECFUFAJWAVDNX-WMLDXEAASA-N 1 2 335.806 3.883 20 10 EHCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877673764 1137685402 /nfs/dbraw/zinc/68/54/02/1137685402.db2.gz RECFUFAJWAVDNX-WMLDXEAASA-N 1 2 335.806 3.883 20 10 EHCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nc(C(F)(F)F)cs1 ZINC000883105395 1137844755 /nfs/dbraw/zinc/84/47/55/1137844755.db2.gz ITXYUKBWQUKAIK-ZCFIWIBFSA-N 1 2 338.301 3.997 20 10 EHCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000184684430 1140115187 /nfs/dbraw/zinc/11/51/87/1140115187.db2.gz CUPTUEUKVJURNR-CQSZACIVSA-N 1 2 339.844 3.689 20 10 EHCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000184684430 1140115189 /nfs/dbraw/zinc/11/51/89/1140115189.db2.gz CUPTUEUKVJURNR-CQSZACIVSA-N 1 2 339.844 3.689 20 10 EHCDLO CCOc1cccc(C[N@@H+]2CCSC[C@H]2c2nccs2)c1O ZINC000186657143 1140216048 /nfs/dbraw/zinc/21/60/48/1140216048.db2.gz GLJXNNZFNYEKMN-ZDUSSCGKSA-N 1 2 336.482 3.538 20 10 EHCDLO CCOc1cccc(C[N@H+]2CCSC[C@H]2c2nccs2)c1O ZINC000186657143 1140216051 /nfs/dbraw/zinc/21/60/51/1140216051.db2.gz GLJXNNZFNYEKMN-ZDUSSCGKSA-N 1 2 336.482 3.538 20 10 EHCDLO