smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)ccc1N1CCCCC1 ZINC001605166245 972867327 /nfs/dbraw/zinc/86/73/27/972867327.db2.gz ZVLVGOVKHSZJSM-AEFFLSMTSA-N 0 1 330.472 3.670 20 10 EHCDMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1N1CCCCC1 ZINC001605166255 972867475 /nfs/dbraw/zinc/86/74/75/972867475.db2.gz ZVLVGOVKHSZJSM-SJLPKXTDSA-N 0 1 330.472 3.670 20 10 EHCDMN CCN(C)c1ccc(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001596194867 983577737 /nfs/dbraw/zinc/57/77/37/983577737.db2.gz VGYLWUDNJHWWNR-PMACEKPBSA-N 0 1 338.451 3.933 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2nc3cccc(Cl)c3n2C)c1 ZINC000274776040 1015064506 /nfs/dbraw/zinc/06/45/06/1015064506.db2.gz NZSJGLROXNTXEI-LLVKDONJSA-N 0 1 345.830 3.792 20 10 EHCDMN CCc1cccc(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1O ZINC001597587252 988411202 /nfs/dbraw/zinc/41/12/02/988411202.db2.gz SZCDADNUVAWDJL-ROUUACIJSA-N 0 1 325.408 3.745 20 10 EHCDMN O=C(NCc1cccc(Cl)c1[O-])c1ccc(C[NH+]2CCCC2)cc1 ZINC000890758322 1016373045 /nfs/dbraw/zinc/37/30/45/1016373045.db2.gz VMDTXDQWVGDTDD-UHFFFAOYSA-N 0 1 344.842 3.571 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000311340883 1016655488 /nfs/dbraw/zinc/65/54/88/1016655488.db2.gz OZQGRCLNRJXHPG-LEWSCRJBSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000181271592 1016918497 /nfs/dbraw/zinc/91/84/97/1016918497.db2.gz XVNVHWOZBFJNSA-HNNXBMFYSA-N 0 1 326.440 3.599 20 10 EHCDMN C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000122308459 1017261175 /nfs/dbraw/zinc/26/11/75/1017261175.db2.gz QWCQPIBGHXCKPN-HNNXBMFYSA-N 0 1 346.421 3.994 20 10 EHCDMN C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000309839886 1018378650 /nfs/dbraw/zinc/37/86/50/1018378650.db2.gz VOPYEGXYZGHACA-RDTXWAMCSA-N 0 1 330.859 3.798 20 10 EHCDMN COc1cc(O)c(CN(C)Cc2ccc(Cl)c(F)c2)cc1OC ZINC000160513905 1019449233 /nfs/dbraw/zinc/44/92/33/1019449233.db2.gz CALHYHMCIMEXBU-UHFFFAOYSA-N 0 1 339.794 3.834 20 10 EHCDMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000588407602 1020770207 /nfs/dbraw/zinc/77/02/07/1020770207.db2.gz JECDJNUBXMAAAI-KXFIGUGUSA-N 0 1 345.305 3.564 20 10 EHCDMN Cc1nc(CC2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)no1 ZINC000896549935 1025589849 /nfs/dbraw/zinc/58/98/49/1025589849.db2.gz PGXKGJVAFZHYPY-UHFFFAOYSA-N 0 1 337.423 3.692 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccccc2Cl)c(Cl)c1 ZINC000840900329 1027635105 /nfs/dbraw/zinc/63/51/05/1027635105.db2.gz QGDKVDKJQCEIEN-MRXNPFEDSA-N 0 1 326.223 3.831 20 10 EHCDMN CN(C)c1ccc(CNCc2cccc3c2OC(C)(C)C3)cc1F ZINC000237126420 1029539443 /nfs/dbraw/zinc/53/94/43/1029539443.db2.gz KYRPDQZXLRKTEP-UHFFFAOYSA-N 0 1 328.431 3.895 20 10 EHCDMN CC[C@@H]([NH2+]CC1=CCCOC1)c1cc(Br)ccc1[O-] ZINC000286863083 1029581649 /nfs/dbraw/zinc/58/16/49/1029581649.db2.gz BEDQOIZYSYUBOL-CQSZACIVSA-N 0 1 326.234 3.542 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1cc(Cl)ccc1[O-] ZINC000528000478 1031562234 /nfs/dbraw/zinc/56/22/34/1031562234.db2.gz SGSWLPIIOFBSAG-GOEBONIOSA-N 0 1 330.815 3.650 20 10 EHCDMN CCc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000165201517 1036318165 /nfs/dbraw/zinc/31/81/65/1036318165.db2.gz FVAMJJBLHBJCSN-AWEZNQCLSA-N 0 1 332.419 3.669 20 10 EHCDMN Oc1cccc2c1CN(Cc1cc(OC(F)(F)F)ccc1F)CC2 ZINC001143544758 1039854611 /nfs/dbraw/zinc/85/46/11/1039854611.db2.gz IZSDIDGRIPYKHZ-UHFFFAOYSA-N 0 1 341.304 3.988 20 10 EHCDMN CCN(Cc1[nH]nc(C)c1C)Cc1cc(Br)ccc1O ZINC000894084170 1040040444 /nfs/dbraw/zinc/04/04/44/1040040444.db2.gz JUILIBLYEMKCKC-UHFFFAOYSA-N 0 1 338.249 3.517 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cccc3c2OCCO3)cc1F ZINC000236962986 1040542514 /nfs/dbraw/zinc/54/25/14/1040542514.db2.gz MHXXBHDCWMHYFS-UHFFFAOYSA-N 0 1 344.430 3.733 20 10 EHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCC=CO1 ZINC000194052453 1041201949 /nfs/dbraw/zinc/20/19/49/1041201949.db2.gz YRBXVCNVXIZHKQ-CQSZACIVSA-N 0 1 326.234 3.669 20 10 EHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCC=CO1 ZINC000194052453 1041201962 /nfs/dbraw/zinc/20/19/62/1041201962.db2.gz YRBXVCNVXIZHKQ-CQSZACIVSA-N 0 1 326.234 3.669 20 10 EHCDMN C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185079235 1126756114 /nfs/dbraw/zinc/75/61/14/1126756114.db2.gz WMDKXZSBBIEQJD-INIZCTEOSA-N 0 1 348.446 3.855 20 10 EHCDMN C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc2ccccc2c1[O-] ZINC000185983605 1127220084 /nfs/dbraw/zinc/22/00/84/1127220084.db2.gz WEMOMDLWBGVFCK-CQSZACIVSA-N 0 1 334.419 3.538 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000765005207 1127564187 /nfs/dbraw/zinc/56/41/87/1127564187.db2.gz HREWZNZKJYHSGM-HNNXBMFYSA-N 0 1 344.842 3.708 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000765005207 1127564191 /nfs/dbraw/zinc/56/41/91/1127564191.db2.gz HREWZNZKJYHSGM-HNNXBMFYSA-N 0 1 344.842 3.708 20 10 EHCDMN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1C ZINC000762001653 1121048969 /nfs/dbraw/zinc/04/89/69/1121048969.db2.gz VNNFDKRADMUKII-UHFFFAOYSA-N 0 1 335.425 3.597 20 10 EHCDMN CCN(C(=O)C1=CC(=O)CS1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000762562509 1121354959 /nfs/dbraw/zinc/35/49/59/1121354959.db2.gz LDPFVZKWJWNVNJ-GDBMZVCRSA-N 0 1 344.480 3.751 20 10 EHCDMN CCN(C(=O)C1=CC(=O)CS1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000762562509 1121354969 /nfs/dbraw/zinc/35/49/69/1121354969.db2.gz LDPFVZKWJWNVNJ-GDBMZVCRSA-N 0 1 344.480 3.751 20 10 EHCDMN C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc(Br)cc1[O-] ZINC000762780062 1121439701 /nfs/dbraw/zinc/43/97/01/1121439701.db2.gz MQARSZBIZRJZPG-NSHDSACASA-N 0 1 332.241 3.973 20 10 EHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCOc3ccccc3C2)c1 ZINC000917486732 1122618863 /nfs/dbraw/zinc/61/88/63/1122618863.db2.gz VDRPOSVACRLBLV-UHFFFAOYSA-N 0 1 327.424 3.790 20 10 EHCDMN COCCC[N@H+](CCOC)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000921055831 1123459502 /nfs/dbraw/zinc/45/95/02/1123459502.db2.gz RMRSWVZAZPIJHM-UHFFFAOYSA-N 0 1 347.455 3.502 20 10 EHCDMN COCCC[N@@H+](CCOC)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000921055831 1123459505 /nfs/dbraw/zinc/45/95/05/1123459505.db2.gz RMRSWVZAZPIJHM-UHFFFAOYSA-N 0 1 347.455 3.502 20 10 EHCDMN Cc1cc(C)c(NC(=O)CNCc2ccc3c(c2)CCCO3)c(C)c1 ZINC000921474979 1123548835 /nfs/dbraw/zinc/54/88/35/1123548835.db2.gz MWEJVWORJFQIAW-UHFFFAOYSA-N 0 1 338.451 3.665 20 10 EHCDMN Cc1cccc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1O ZINC000180644287 1124037373 /nfs/dbraw/zinc/03/73/73/1124037373.db2.gz GFODFYXSKTZGDY-QGZVFWFLSA-N 0 1 349.377 3.876 20 10 EHCDMN COc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1Cn1cccn1 ZINC000922582655 1129582199 /nfs/dbraw/zinc/58/21/99/1129582199.db2.gz PDNDCWYVZZNDDP-OAQYLSRUSA-N 0 1 348.450 3.576 20 10 EHCDMN C[C@H](NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cn(C)nn1 ZINC000922634279 1129608876 /nfs/dbraw/zinc/60/88/76/1129608876.db2.gz YROABYOHSHHGGQ-ZDUSSCGKSA-N 0 1 344.503 3.967 20 10 EHCDMN CO[C@](C)(C[NH2+]Cc1c([O-])cccc1Cl)COCc1ccccc1 ZINC000702768577 1130248532 /nfs/dbraw/zinc/24/85/32/1130248532.db2.gz MRZFZDCANUDLSM-LJQANCHMSA-N 0 1 349.858 3.757 20 10 EHCDMN CO[C@@](C)(C[NH2+]Cc1c([O-])cccc1Cl)COCc1ccccc1 ZINC000702768575 1130248552 /nfs/dbraw/zinc/24/85/52/1130248552.db2.gz MRZFZDCANUDLSM-IBGZPJMESA-N 0 1 349.858 3.757 20 10 EHCDMN CCOC1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000703801173 1130392226 /nfs/dbraw/zinc/39/22/26/1130392226.db2.gz VGMAPXGSRKOVCS-UHFFFAOYSA-N 0 1 328.250 3.592 20 10 EHCDMN CN(Cc1cc[nH]n1)Cc1c(O)ccc2cc(Br)ccc21 ZINC000732665465 1130946831 /nfs/dbraw/zinc/94/68/31/1130946831.db2.gz CRNQOIXUYYNGAE-UHFFFAOYSA-N 0 1 346.228 3.663 20 10 EHCDMN Oc1cc(C(F)(F)F)c(Br)cc1Nc1ccncc1 ZINC001173885130 1132179352 /nfs/dbraw/zinc/17/93/52/1132179352.db2.gz KLSKYVXKPKWOLZ-UHFFFAOYSA-N 0 1 333.107 3.734 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2nc(Cl)ccc2Cl)c1 ZINC000766851007 1132871482 /nfs/dbraw/zinc/87/14/82/1132871482.db2.gz ASFSTSYSKVHSLP-VIFPVBQESA-N 0 1 327.211 3.953 20 10 EHCDMN CCOc1cccc(CN2CCc3c(cnn3-c3ccccc3)C2)c1O ZINC000768886211 1133196737 /nfs/dbraw/zinc/19/67/37/1133196737.db2.gz OIJZJBPWCLMYRO-UHFFFAOYSA-N 0 1 349.434 3.535 20 10 EHCDMN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000769006887 1133220760 /nfs/dbraw/zinc/22/07/60/1133220760.db2.gz SFMYCKNNSXOUTN-UONOGXRCSA-N 0 1 338.879 3.562 20 10 EHCDMN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000769006887 1133220764 /nfs/dbraw/zinc/22/07/64/1133220764.db2.gz SFMYCKNNSXOUTN-UONOGXRCSA-N 0 1 338.879 3.562 20 10 EHCDMN CCOc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC000769314097 1133259983 /nfs/dbraw/zinc/25/99/83/1133259983.db2.gz DFFKGVLAPYRCBM-HXUWFJFHSA-N 0 1 327.424 3.755 20 10 EHCDMN COc1cccc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1O ZINC000769498258 1133301493 /nfs/dbraw/zinc/30/14/93/1133301493.db2.gz SPWOISSWFLWMLA-UZLBHIALSA-N 0 1 341.451 3.980 20 10 EHCDMN C[N@H+](Cc1ccccc1[O-])C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001180239677 1133350632 /nfs/dbraw/zinc/35/06/32/1133350632.db2.gz PDBNHJIQXQCIJJ-FQEVSTJZSA-N 0 1 348.487 3.861 20 10 EHCDMN C[N@@H+](Cc1ccccc1[O-])C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001180239677 1133350638 /nfs/dbraw/zinc/35/06/38/1133350638.db2.gz PDBNHJIQXQCIJJ-FQEVSTJZSA-N 0 1 348.487 3.861 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770664302 1133456050 /nfs/dbraw/zinc/45/60/50/1133456050.db2.gz FVFGOXOBBIQEET-SFHVURJKSA-N 0 1 333.790 3.816 20 10 EHCDMN COc1ccc(O)c(CN2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000770665223 1133456148 /nfs/dbraw/zinc/45/61/48/1133456148.db2.gz PCLIYVMQQLIWRQ-UHFFFAOYSA-N 0 1 331.362 3.968 20 10 EHCDMN CC(C)OC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000770687957 1133462355 /nfs/dbraw/zinc/46/23/55/1133462355.db2.gz HWTHYCKPSLENOW-FQEVSTJZSA-N 0 1 341.451 3.685 20 10 EHCDMN CC(C)(NCc1ccc(Br)cc1O)c1nccs1 ZINC000691501750 1133558859 /nfs/dbraw/zinc/55/88/59/1133558859.db2.gz PWAJNHIFLJNBDD-UHFFFAOYSA-N 0 1 327.247 3.636 20 10 EHCDMN CC(C)([NH2+]Cc1ccc(Br)cc1[O-])c1nccs1 ZINC000691501750 1133558863 /nfs/dbraw/zinc/55/88/63/1133558863.db2.gz PWAJNHIFLJNBDD-UHFFFAOYSA-N 0 1 327.247 3.636 20 10 EHCDMN [NH3+]CCN(Cc1cc(Cl)cc(F)c1[O-])c1ccc2ccccc2n1 ZINC001182409918 1133650914 /nfs/dbraw/zinc/65/09/14/1133650914.db2.gz MVZDNBQOTLPPFA-UHFFFAOYSA-N 0 1 345.805 3.698 20 10 EHCDMN COC(=O)C[C@H](Cc1ccccc1)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001184189416 1133902251 /nfs/dbraw/zinc/90/22/51/1133902251.db2.gz WVQUYNGEFJJZEJ-HNNXBMFYSA-N 0 1 347.842 3.618 20 10 EHCDMN CC(C)(C[NH2+]Cc1ccc(Br)cc1[O-])C1=CCOCC1 ZINC001184337441 1133929502 /nfs/dbraw/zinc/92/95/02/1133929502.db2.gz GWZIWUCXXBHMCT-UHFFFAOYSA-N 0 1 340.261 3.617 20 10 EHCDMN COc1c([O-])c(C[N@H+](Cc2ccccc2F)C(C)C)ccc1[N+](=O)[O-] ZINC000774831145 1134038533 /nfs/dbraw/zinc/03/85/33/1134038533.db2.gz CVSRKUVLPVLYJB-UHFFFAOYSA-N 0 1 348.374 3.859 20 10 EHCDMN COc1c([O-])c(C[N@@H+](Cc2ccccc2F)C(C)C)ccc1[N+](=O)[O-] ZINC000774831145 1134038537 /nfs/dbraw/zinc/03/85/37/1134038537.db2.gz CVSRKUVLPVLYJB-UHFFFAOYSA-N 0 1 348.374 3.859 20 10 EHCDMN Cc1ncnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1C ZINC001185273448 1134060619 /nfs/dbraw/zinc/06/06/19/1134060619.db2.gz RVIVDCMUJZOVQV-MRXNPFEDSA-N 0 1 346.862 3.529 20 10 EHCDMN Cc1ncnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1C ZINC001185273448 1134060626 /nfs/dbraw/zinc/06/06/26/1134060626.db2.gz RVIVDCMUJZOVQV-MRXNPFEDSA-N 0 1 346.862 3.529 20 10 EHCDMN Cc1ncnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1C ZINC001185273448 1134060633 /nfs/dbraw/zinc/06/06/33/1134060633.db2.gz RVIVDCMUJZOVQV-MRXNPFEDSA-N 0 1 346.862 3.529 20 10 EHCDMN C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788507202 1134134746 /nfs/dbraw/zinc/13/47/46/1134134746.db2.gz PBNBRSRNQVWFRD-CYBMUJFWSA-N 0 1 330.394 3.938 20 10 EHCDMN COc1cc(Br)cc(C[N@@H+](CC2CC2)C2CCC2)c1[O-] ZINC000793393427 1134923038 /nfs/dbraw/zinc/92/30/38/1134923038.db2.gz GRGMQDPJHMRRKH-UHFFFAOYSA-N 0 1 340.261 3.928 20 10 EHCDMN COc1cc(Br)cc(C[N@H+](CC2CC2)C2CCC2)c1[O-] ZINC000793393427 1134923032 /nfs/dbraw/zinc/92/30/32/1134923032.db2.gz GRGMQDPJHMRRKH-UHFFFAOYSA-N 0 1 340.261 3.928 20 10 EHCDMN C[C@@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000775487867 1134930839 /nfs/dbraw/zinc/93/08/39/1134930839.db2.gz FMKIGAZKYNTTHM-CABCVRRESA-N 0 1 345.874 3.983 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1[O-] ZINC000775500515 1134968526 /nfs/dbraw/zinc/96/85/26/1134968526.db2.gz QHSKQPDCJLAONQ-YPMHNXCESA-N 0 1 336.785 3.723 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCCC[C@H]2CCO)c1 ZINC000793608462 1134970661 /nfs/dbraw/zinc/97/06/61/1134970661.db2.gz ISKUQJOJVIUARW-AWEZNQCLSA-N 0 1 342.277 3.590 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000775507713 1134975026 /nfs/dbraw/zinc/97/50/26/1134975026.db2.gz OJTLABVUNUZKQW-INWMFGNUSA-N 0 1 338.879 3.733 20 10 EHCDMN CC[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775509336 1134980030 /nfs/dbraw/zinc/98/00/30/1134980030.db2.gz JZKUOFCMMAVYPT-XJKSGUPXSA-N 0 1 327.852 3.530 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1[O-] ZINC000775524637 1135008839 /nfs/dbraw/zinc/00/88/39/1135008839.db2.gz UTQWDXLLYVIQJY-GOEBONIOSA-N 0 1 331.847 3.760 20 10 EHCDMN C[C@@H](Cc1ccco1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804907571 1135212804 /nfs/dbraw/zinc/21/28/04/1135212804.db2.gz AGHBVCLESBFBGO-VIFPVBQESA-N 0 1 343.210 3.722 20 10 EHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc1OC ZINC000775643108 1135381791 /nfs/dbraw/zinc/38/17/91/1135381791.db2.gz SRWSWAFEKCQCLK-UHFFFAOYSA-N 0 1 339.794 3.834 20 10 EHCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1COc2ccccc2O1 ZINC000775643624 1135382423 /nfs/dbraw/zinc/38/24/23/1135382423.db2.gz TWGDYQJHIIAEFM-AWEZNQCLSA-N 0 1 333.815 3.708 20 10 EHCDMN COc1ccc(OCC[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775645461 1135390017 /nfs/dbraw/zinc/39/00/17/1135390017.db2.gz AGNRDVUYTXUUTK-UHFFFAOYSA-N 0 1 339.794 3.704 20 10 EHCDMN Cc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000806405483 1135441201 /nfs/dbraw/zinc/44/12/01/1135441201.db2.gz OSYHSYYIAKKXNI-UHFFFAOYSA-N 0 1 326.183 3.724 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CC=CCC1 ZINC000806547586 1135451776 /nfs/dbraw/zinc/45/17/76/1135451776.db2.gz LEPRYTNLVLJOLQ-SNVBAGLBSA-N 0 1 329.227 3.855 20 10 EHCDMN COC1CCC(CC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807837074 1135580085 /nfs/dbraw/zinc/58/00/85/1135580085.db2.gz ABFHGWFJXFKMLR-UHFFFAOYSA-N 0 1 346.254 3.911 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)ccc1F ZINC000807838537 1135581920 /nfs/dbraw/zinc/58/19/20/1135581920.db2.gz WKLMEGWTFUXYIO-UHFFFAOYSA-N 0 1 332.133 3.907 20 10 EHCDMN CCn1c(C)nc([N+](=O)[O-])c1NCc1cc(Cl)cc(Cl)c1O ZINC000808090235 1135616984 /nfs/dbraw/zinc/61/69/84/1135616984.db2.gz VLWGRRWYLSJECC-UHFFFAOYSA-N 0 1 345.186 3.744 20 10 EHCDMN CCOCC(C)(C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000808360190 1135658494 /nfs/dbraw/zinc/65/84/94/1135658494.db2.gz XANTZVBEQTZPLQ-UHFFFAOYSA-N 0 1 349.258 3.561 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809728642 1135872621 /nfs/dbraw/zinc/87/26/21/1135872621.db2.gz DKDUOQDMTINBGM-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN1CCC2(C1)Oc1ccccc1O2 ZINC000809789747 1135891964 /nfs/dbraw/zinc/89/19/64/1135891964.db2.gz CELDDXSLWQXCSG-UHFFFAOYSA-N 0 1 335.762 3.558 20 10 EHCDMN Cc1cc(Cl)cc(CN2CCC3(C2)Oc2ccccc2O3)c1O ZINC000809790086 1135892485 /nfs/dbraw/zinc/89/24/85/1135892485.db2.gz XICFZMBULUWMAS-UHFFFAOYSA-N 0 1 331.799 3.727 20 10 EHCDMN CN1CCN(c2ccc(CNc3ccc(OC(F)F)cc3)cc2)CC1 ZINC001199505474 1135909100 /nfs/dbraw/zinc/90/91/00/1135909100.db2.gz IQMFAWDYWCITOA-UHFFFAOYSA-N 0 1 347.409 3.652 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213979 1135938085 /nfs/dbraw/zinc/93/80/85/1135938085.db2.gz KNJHEMIWPHVBDB-GXFFZTMASA-N 0 1 346.393 3.755 20 10 EHCDMN CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225151 1135940551 /nfs/dbraw/zinc/94/05/51/1135940551.db2.gz VUCORBMMNWLBOJ-CYBMUJFWSA-N 0 1 346.393 3.757 20 10 EHCDMN CC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227695 1135940877 /nfs/dbraw/zinc/94/08/77/1135940877.db2.gz HFKSSDMVGPSXCB-FWPWXVQSSA-N 0 1 337.407 3.609 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229554 1135941705 /nfs/dbraw/zinc/94/17/05/1135941705.db2.gz YPHJAZNXPWIGTN-CQSZACIVSA-N 0 1 327.350 3.694 20 10 EHCDMN CC[C@H]([NH2+]CCOCC(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237256 1135946353 /nfs/dbraw/zinc/94/63/53/1135946353.db2.gz AQIGMDMDCQCFMW-NSHDSACASA-N 0 1 327.293 3.733 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239732 1135946862 /nfs/dbraw/zinc/94/68/62/1135946862.db2.gz YWIUYGMTWDZJDT-JSGCOSHPSA-N 0 1 339.361 3.663 20 10 EHCDMN CCCCCn1cc(CNCc2ccc3c(c2)CCCO3)c(C)n1 ZINC001201842847 1136069653 /nfs/dbraw/zinc/06/96/53/1136069653.db2.gz QFAWRFULDGOILM-UHFFFAOYSA-N 0 1 327.472 3.997 20 10 EHCDMN CC[N@@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000811511373 1136102516 /nfs/dbraw/zinc/10/25/16/1136102516.db2.gz HNBJKVCKYTVCPY-CYBMUJFWSA-N 0 1 342.277 3.934 20 10 EHCDMN CC[C@H](C)n1nc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000776258246 1136108430 /nfs/dbraw/zinc/10/84/30/1136108430.db2.gz QQIIGYFOJOXNKR-INIZCTEOSA-N 0 1 341.503 3.526 20 10 EHCDMN COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000811792561 1136141580 /nfs/dbraw/zinc/14/15/80/1136141580.db2.gz DAGGLOTUMGQDCV-UHFFFAOYSA-N 0 1 346.430 3.996 20 10 EHCDMN COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000811792561 1136141582 /nfs/dbraw/zinc/14/15/82/1136141582.db2.gz DAGGLOTUMGQDCV-UHFFFAOYSA-N 0 1 346.430 3.996 20 10 EHCDMN CO[C@](C)(C[NH2+][C@H](C)c1ccc(Br)cc1[O-])C1CC1 ZINC000812734827 1136239507 /nfs/dbraw/zinc/23/95/07/1136239507.db2.gz RRLBRROZELQDRT-MEBBXXQBSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000812741081 1136240731 /nfs/dbraw/zinc/24/07/31/1136240731.db2.gz QEYQGOUNPSYBML-AAEUAGOBSA-N 0 1 348.805 3.641 20 10 EHCDMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000850405925 1136250949 /nfs/dbraw/zinc/25/09/49/1136250949.db2.gz KLNFDGWUJPUAHN-FOIQADDNSA-N 0 1 340.467 3.654 20 10 EHCDMN C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Br)cc1[O-] ZINC000850525468 1136277925 /nfs/dbraw/zinc/27/79/25/1136277925.db2.gz NZBRNEJCUHPLFF-JQWIXIFHSA-N 0 1 326.234 3.517 20 10 EHCDMN C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc2ccccc2c1[O-] ZINC000850561139 1136285995 /nfs/dbraw/zinc/28/59/95/1136285995.db2.gz IEPRFWZSAMZKHB-QVKFZJNVSA-N 0 1 343.467 3.764 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000110252680 1136414655 /nfs/dbraw/zinc/41/46/55/1136414655.db2.gz HAVWWDVZVHSWQA-MRXNPFEDSA-N 0 1 332.241 3.802 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3CCCCO3)CC2)c1[O-] ZINC000852594399 1136469540 /nfs/dbraw/zinc/46/95/40/1136469540.db2.gz MRZSIFVRGZWOBF-GOSISDBHSA-N 0 1 335.419 3.515 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CCC([C@H]3CCCCO3)CC2)c1O ZINC000852594399 1136469542 /nfs/dbraw/zinc/46/95/42/1136469542.db2.gz MRZSIFVRGZWOBF-GOSISDBHSA-N 0 1 335.419 3.515 20 10 EHCDMN Cc1cc(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)ccc1N(C)C ZINC000815083753 1136549207 /nfs/dbraw/zinc/54/92/07/1136549207.db2.gz ABWMBWKTADJDQV-UHFFFAOYSA-N 0 1 345.531 3.530 20 10 EHCDMN COC(=O)c1cc(CN(C)Cc2ccc3ccccc3c2O)oc1C ZINC000816483263 1136723813 /nfs/dbraw/zinc/72/38/13/1136723813.db2.gz LZFLMACCVZOXKN-UHFFFAOYSA-N 0 1 339.391 3.865 20 10 EHCDMN COc1ccc(N2CCCN(Cc3cc(OC)ccc3F)CC2)cc1 ZINC000816494913 1136724550 /nfs/dbraw/zinc/72/45/50/1136724550.db2.gz DFPNHIXKTLXIFW-UHFFFAOYSA-N 0 1 344.430 3.555 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000816520322 1136727308 /nfs/dbraw/zinc/72/73/08/1136727308.db2.gz LZWCVSOCZMHZPD-WBMJQRKESA-N 0 1 339.794 3.866 20 10 EHCDMN Cn1ccnc1[C@H](NCc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816533420 1136730490 /nfs/dbraw/zinc/73/04/90/1136730490.db2.gz VNFZNWFFHXCKMC-QGZVFWFLSA-N 0 1 345.805 3.797 20 10 EHCDMN [O-]c1c(C[NH2+]Cc2ccnc(OC(F)F)c2)ccc2ccccc21 ZINC000816604113 1136740439 /nfs/dbraw/zinc/74/04/39/1136740439.db2.gz YHBUHCSOOQHGIW-UHFFFAOYSA-N 0 1 330.334 3.832 20 10 EHCDMN C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816609997 1136741028 /nfs/dbraw/zinc/74/10/28/1136741028.db2.gz VDGURDLCJDPRFS-DEOSSOPVSA-N 0 1 339.460 3.714 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCO[C@H](C(C)C)C2)c1 ZINC000816675431 1136747754 /nfs/dbraw/zinc/74/77/54/1136747754.db2.gz AMCRPFOKMKGMQM-HNNXBMFYSA-N 0 1 342.277 3.710 20 10 EHCDMN C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(Br)cc1[O-] ZINC000817587426 1136825875 /nfs/dbraw/zinc/82/58/75/1136825875.db2.gz WWCIZVUVPUMVLU-LLVKDONJSA-N 0 1 328.250 3.501 20 10 EHCDMN CC[C@H](NC[C@@]1(COC)CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817974649 1136853912 /nfs/dbraw/zinc/85/39/12/1136853912.db2.gz NBSCMZSFHISVGK-GOEBONIOSA-N 0 1 347.286 3.508 20 10 EHCDMN CC[C@@H](N[C@H](C)c1ncc(C(=O)OC)s1)c1ccc(C)cc1O ZINC000818355903 1136875551 /nfs/dbraw/zinc/87/55/51/1136875551.db2.gz KZRNNWLMDXLTDY-DGCLKSJQSA-N 0 1 334.441 3.746 20 10 EHCDMN CC(C)c1ncc2c(n1)CCN(C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000857876660 1136916702 /nfs/dbraw/zinc/91/67/02/1136916702.db2.gz IUCQLGQNNHBSFV-AATRIKPKSA-N 0 1 336.483 3.738 20 10 EHCDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000858106090 1136940301 /nfs/dbraw/zinc/94/03/01/1136940301.db2.gz YWDOMOMCTQGBEM-INIZCTEOSA-N 0 1 336.229 3.632 20 10 EHCDMN Cc1cc(CNCc2ccc(N(C)C)cc2C)ncc1Br ZINC000858139797 1136943062 /nfs/dbraw/zinc/94/30/62/1136943062.db2.gz ZONKNJPKGFCUBY-UHFFFAOYSA-N 0 1 348.288 3.817 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000858150666 1136944343 /nfs/dbraw/zinc/94/43/43/1136944343.db2.gz DXFGMVWXNIIZGE-DOMZBBRYSA-N 0 1 342.277 3.576 20 10 EHCDMN CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000858484754 1136972142 /nfs/dbraw/zinc/97/21/42/1136972142.db2.gz AGHXPQRZTLFWSI-WCQYABFASA-N 0 1 330.266 3.602 20 10 EHCDMN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccns1 ZINC000858578053 1136980026 /nfs/dbraw/zinc/98/00/26/1136980026.db2.gz MJPJTTBNMZEGNC-STQMWFEESA-N 0 1 335.448 3.531 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1[O-] ZINC000823591978 1137107400 /nfs/dbraw/zinc/10/74/00/1137107400.db2.gz OIOQZABAQHKCES-IBGZPJMESA-N 0 1 347.842 3.588 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1[O-] ZINC000823591978 1137107401 /nfs/dbraw/zinc/10/74/01/1137107401.db2.gz OIOQZABAQHKCES-IBGZPJMESA-N 0 1 347.842 3.588 20 10 EHCDMN CCC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000862024662 1137127330 /nfs/dbraw/zinc/12/73/30/1137127330.db2.gz BGYUFWUKXQJJPM-QZTJIDSGSA-N 0 1 345.531 3.802 20 10 EHCDMN CC(C)(C)OC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824610813 1137145003 /nfs/dbraw/zinc/14/50/03/1137145003.db2.gz RFAVTWXZIRNKDY-UHFFFAOYSA-N 0 1 342.277 3.934 20 10 EHCDMN CCc1cccc(CN2CCc3nc(C(C)(C)C)ncc3C2)c1O ZINC000862440381 1137144776 /nfs/dbraw/zinc/14/47/76/1137144776.db2.gz MQNXJQHYWQRFTA-UHFFFAOYSA-N 0 1 325.456 3.600 20 10 EHCDMN CC[N@H+](CCc1ccccn1)Cc1ccc(Br)cc1[O-] ZINC000824610797 1137145162 /nfs/dbraw/zinc/14/51/62/1137145162.db2.gz QWIPRHKISTUOMW-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN CC[N@@H+](CCc1ccccn1)Cc1ccc(Br)cc1[O-] ZINC000824610797 1137145164 /nfs/dbraw/zinc/14/51/64/1137145164.db2.gz QWIPRHKISTUOMW-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000824690800 1137148584 /nfs/dbraw/zinc/14/85/84/1137148584.db2.gz MCGMZUBCKOAJGL-OAHLLOKOSA-N 0 1 326.223 3.864 20 10 EHCDMN [O-]c1c(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)ccc2ccccc21 ZINC000824955734 1137159336 /nfs/dbraw/zinc/15/93/36/1137159336.db2.gz YUZBQLGQFICJFQ-ICSRJNTNSA-N 0 1 334.419 3.950 20 10 EHCDMN CCOc1ccccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825131981 1137166964 /nfs/dbraw/zinc/16/69/64/1137166964.db2.gz VNOMASYSYMXRPK-UHFFFAOYSA-N 0 1 336.229 3.843 20 10 EHCDMN CC[C@@H](NCc1cc(Cl)c(C)cc1O)c1nnc2n1CCCCC2 ZINC000825185996 1137168016 /nfs/dbraw/zinc/16/80/16/1137168016.db2.gz UQOSFASSMUATHK-OAHLLOKOSA-N 0 1 348.878 3.913 20 10 EHCDMN CC(=O)Nc1ccc(NCc2ccc(F)c(F)c2O)cc1Cl ZINC000864019526 1137211936 /nfs/dbraw/zinc/21/19/36/1137211936.db2.gz HTSKPPFONJBZJK-UHFFFAOYSA-N 0 1 326.730 3.894 20 10 EHCDMN COc1ccc(N(C)CCN(C)[C@@H](C)c2nc3ccccc3o2)cc1 ZINC000844400496 1137217254 /nfs/dbraw/zinc/21/72/54/1137217254.db2.gz CRZHEHIHBVPYBN-HNNXBMFYSA-N 0 1 339.439 3.966 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1[O-] ZINC000844440768 1137223975 /nfs/dbraw/zinc/22/39/75/1137223975.db2.gz UAGNEOOASWLSMM-HNNXBMFYSA-N 0 1 329.774 3.869 20 10 EHCDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@]3(CC3(F)F)C2)c1O ZINC000844440768 1137223976 /nfs/dbraw/zinc/22/39/76/1137223976.db2.gz UAGNEOOASWLSMM-HNNXBMFYSA-N 0 1 329.774 3.869 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(Br)cc1[O-] ZINC000844919852 1137262765 /nfs/dbraw/zinc/26/27/65/1137262765.db2.gz HJSKICSQWRDADZ-RISCZKNCSA-N 0 1 347.256 3.842 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000794824191 1137267529 /nfs/dbraw/zinc/26/75/29/1137267529.db2.gz IMDSNTMFOPJGCS-SMDDNHRTSA-N 0 1 342.867 4.000 20 10 EHCDMN Cc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846280089 1137345161 /nfs/dbraw/zinc/34/51/61/1137345161.db2.gz JCLLRDPWBPABFZ-KXBFYZLASA-N 0 1 330.472 3.670 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(Br)cc1[O-] ZINC000866632224 1137371285 /nfs/dbraw/zinc/37/12/85/1137371285.db2.gz JUIWYUCZUYHUMJ-MFKMUULPSA-N 0 1 336.233 3.537 20 10 EHCDMN COC(=O)c1cc2ccc(NCc3cc4ccccc4cc3O)nc2[nH]1 ZINC001171401901 1137471790 /nfs/dbraw/zinc/47/17/90/1137471790.db2.gz AETOFFYWTLZSAM-UHFFFAOYSA-N 0 1 347.374 3.820 20 10 EHCDMN O=c1[nH]c2cc(NCc3cc(Cl)cc(Cl)c3O)ccc2o1 ZINC000037130150 1137479230 /nfs/dbraw/zinc/47/92/30/1137479230.db2.gz WZUMFDAEXMFNRQ-UHFFFAOYSA-N 0 1 325.151 3.746 20 10 EHCDMN CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] 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IVQPJGZPPWFUCL-GFCCVEGCSA-N 0 1 337.370 3.596 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1Cl ZINC000897356707 1032947120 /nfs/dbraw/zinc/94/71/20/1032947120.db2.gz BMGSIXUWGPMSKG-UWUNEBHHSA-N 0 1 331.843 3.536 20 10 EHCDMN CCOCc1cc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)ccc1OC ZINC000276759703 1022645675 /nfs/dbraw/zinc/64/56/75/1022645675.db2.gz ADZMYPJVGXXBRK-ZIAGYGMSSA-N 0 1 346.475 3.714 20 10 EHCDMN COc1cc(C)cc(CN[C@H](C)c2nccn2-c2ccccc2)c1O ZINC000894782033 1022907063 /nfs/dbraw/zinc/90/70/63/1022907063.db2.gz VBLRVMMAGPVURP-OAHLLOKOSA-N 0 1 337.423 3.746 20 10 EHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001142520268 1033189784 /nfs/dbraw/zinc/18/97/84/1033189784.db2.gz FCKPTOHHQRYEQY-LBPRGKRZSA-N 0 1 341.304 3.602 20 10 EHCDMN CCN(CC)C(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176677065 1026426564 /nfs/dbraw/zinc/42/65/64/1026426564.db2.gz OCYWETZKKCVUCN-KRWDZBQOSA-N 0 1 340.467 3.824 20 10 EHCDMN C[C@@H]([NH2+]CC(C)(C)CCCO)c1cc(Br)ccc1[O-] ZINC000273454189 1027436592 /nfs/dbraw/zinc/43/65/92/1027436592.db2.gz GTVPHYVSGQYNKG-LLVKDONJSA-N 0 1 330.266 3.604 20 10 EHCDMN CCC(F)(F)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708159412 1028207430 /nfs/dbraw/zinc/20/74/30/1028207430.db2.gz XGQYQGAVWVOXJR-UHFFFAOYSA-N 0 1 328.584 3.943 20 10 EHCDMN C[C@@H](c1ccccc1)[N@@H+](CCc1cnn(C)c1)Cc1ccccc1O ZINC000272081737 1029302464 /nfs/dbraw/zinc/30/24/64/1029302464.db2.gz WLCIQFSKSWGSFM-KRWDZBQOSA-N 0 1 335.451 3.932 20 10 EHCDMN COCC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccco1 ZINC000272587306 1029522685 /nfs/dbraw/zinc/52/26/85/1029522685.db2.gz QKPMITVPXBHGOC-ZDUSSCGKSA-N 0 1 340.217 3.615 20 10 EHCDMN COc1ccc2c(c1)CCC[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000728562629 1029707300 /nfs/dbraw/zinc/70/73/00/1029707300.db2.gz AIQICTATJOIVGR-UHFFFAOYSA-N 0 1 334.419 3.897 20 10 EHCDMN COc1ccc2c(c1)CCC[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000728562629 1029707313 /nfs/dbraw/zinc/70/73/13/1029707313.db2.gz AIQICTATJOIVGR-UHFFFAOYSA-N 0 1 334.419 3.897 20 10 EHCDMN CC(C)O[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000404586966 1029811209 /nfs/dbraw/zinc/81/12/09/1029811209.db2.gz VDPOCZSNXPNYNH-ZDUSSCGKSA-N 0 1 328.250 3.544 20 10 EHCDMN C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(Br)cc1[O-] ZINC000903282275 1031321265 /nfs/dbraw/zinc/32/12/65/1031321265.db2.gz KXAUVNQQQMPILX-WIZUOIALSA-N 0 1 340.261 3.763 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000527933651 1031498605 /nfs/dbraw/zinc/49/86/05/1031498605.db2.gz PLFRWCTYJYLQJI-TVQRCGJNSA-N 0 1 333.741 3.696 20 10 EHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cnn(CC2CCC2)c1 ZINC000898177036 1033378015 /nfs/dbraw/zinc/37/80/15/1033378015.db2.gz JSLOEUUKHHKQSO-CQSZACIVSA-N 0 1 330.451 3.739 20 10 EHCDMN CC(C)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)NC(=O)OC(C)(C)C ZINC000227121629 1033714723 /nfs/dbraw/zinc/71/47/23/1033714723.db2.gz GEAIWQTXEXKUPB-CQSZACIVSA-N 0 1 342.867 3.685 20 10 EHCDMN Cc1cc(O)c(CN2CCc3nc(C(C)(C)C)ncc3C2)cc1C ZINC000529640205 1034329786 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CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1cc(Br)ccc1[O-] ZINC000186189130 1128063714 /nfs/dbraw/zinc/06/37/14/1128063714.db2.gz MJRGZWQWJXOSOO-DZGCQCFKSA-N 0 1 330.266 3.602 20 10 EHCDMN COc1ccc(N2CCN(CCOc3cccc(Cl)c3)CC2)cc1 ZINC000197985855 1128556912 /nfs/dbraw/zinc/55/69/12/1128556912.db2.gz DFQDNSXJWSBGDC-UHFFFAOYSA-N 0 1 346.858 3.550 20 10 EHCDMN CC1CCN(c2ccc(CNCc3cccc4c3OCO4)cc2)CC1 ZINC000108423546 1120163282 /nfs/dbraw/zinc/16/32/82/1120163282.db2.gz ZTQPDCARNWDFIZ-UHFFFAOYSA-N 0 1 338.451 3.941 20 10 EHCDMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000762000239 1121049059 /nfs/dbraw/zinc/04/90/59/1121049059.db2.gz KXXFTBGGDFNGJP-UHFFFAOYSA-N 0 1 335.425 3.597 20 10 EHCDMN COC[C@@H](C)NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000916570975 1122199979 /nfs/dbraw/zinc/19/99/79/1122199979.db2.gz JWVSFXMSHFWVJQ-CQSZACIVSA-N 0 1 326.400 3.665 20 10 EHCDMN CC(C)N(CC(=O)NC1CCCCCC1)Cc1ccc(N(C)C)cc1 ZINC000917075113 1122471959 /nfs/dbraw/zinc/47/19/59/1122471959.db2.gz QLFGJTWTRGPAFT-UHFFFAOYSA-N 0 1 345.531 3.802 20 10 EHCDMN Cc1ccccc1NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075395 1122472951 /nfs/dbraw/zinc/47/29/51/1122472951.db2.gz VEBPVNOMWCIZMB-UHFFFAOYSA-N 0 1 339.483 3.910 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2nc3ccccc3n2C(F)F)c1 ZINC000182319572 1125252816 /nfs/dbraw/zinc/25/28/16/1125252816.db2.gz QUJWXWNRPDMWPI-NSHDSACASA-N 0 1 347.365 3.996 20 10 EHCDMN CN(Cc1ccc(Cl)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000071004466 1125456767 /nfs/dbraw/zinc/45/67/67/1125456767.db2.gz VVFWTCSNOSRSAB-UHFFFAOYSA-N 0 1 336.888 3.870 20 10 EHCDMN O=C(Nc1ncc(-c2cccc(F)c2)s1)c1c(F)ccc(O)c1O ZINC001649135489 1130895952 /nfs/dbraw/zinc/89/59/52/1130895952.db2.gz UORASERKMLLSQN-UHFFFAOYSA-N 0 1 348.330 3.752 20 10 EHCDMN CN(c1ccc(CNC(=O)[C@H]2CCCCN2C)cc1)C1CCCCC1 ZINC000732279683 1130906035 /nfs/dbraw/zinc/90/60/35/1130906035.db2.gz NBTPIGKRKXSHJN-HXUWFJFHSA-N 0 1 343.515 3.556 20 10 EHCDMN CCN(CC)c1ccc(CNCc2ncc(C)c(OC)c2C)cc1F ZINC000740003893 1131516028 /nfs/dbraw/zinc/51/60/28/1131516028.db2.gz AOWOBCJVIZBJDF-UHFFFAOYSA-N 0 1 345.462 3.982 20 10 EHCDMN CC(C)(c1ccc(O)c(N)c1)c1ccc(O)c(Nc2ccncc2)c1 ZINC001173884596 1132179786 /nfs/dbraw/zinc/17/97/86/1132179786.db2.gz MOOUFGJEODOWEI-UHFFFAOYSA-N 0 1 335.407 3.566 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000691440659 1132987279 /nfs/dbraw/zinc/98/72/79/1132987279.db2.gz RZYRQNBIOMQBAA-CQSZACIVSA-N 0 1 340.261 3.736 20 10 EHCDMN COc1ccccc1C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768163896 1133103134 /nfs/dbraw/zinc/10/31/34/1133103134.db2.gz TVSKVHLSDWZIDT-UHFFFAOYSA-N 0 1 336.775 3.594 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccccn2)c1[O-] ZINC000768354868 1133128304 /nfs/dbraw/zinc/12/83/04/1133128304.db2.gz KCKHKWSEOPZCCV-AWEZNQCLSA-N 0 1 333.775 3.686 20 10 EHCDMN CNC(=O)c1ccc(C[N@H+](Cc2cc(Cl)ccc2[O-])C2CC2)cc1 ZINC000768422050 1133137118 /nfs/dbraw/zinc/13/71/18/1133137118.db2.gz KRBNPCGTFJVQLM-UHFFFAOYSA-N 0 1 344.842 3.570 20 10 EHCDMN CNC(=O)c1ccc(C[N@@H+](Cc2cc(Cl)ccc2[O-])C2CC2)cc1 ZINC000768422050 1133137122 /nfs/dbraw/zinc/13/71/22/1133137122.db2.gz KRBNPCGTFJVQLM-UHFFFAOYSA-N 0 1 344.842 3.570 20 10 EHCDMN Oc1cc2c(cc1CN1CCO[C@H](c3ccc(F)cc3)C1)CCCC2 ZINC000768442366 1133139039 /nfs/dbraw/zinc/13/90/39/1133139039.db2.gz TWWFAMMKUJZNRP-NRFANRHFSA-N 0 1 341.426 3.984 20 10 EHCDMN Cc1ccc(C(C)(C)C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768466601 1133145097 /nfs/dbraw/zinc/14/50/97/1133145097.db2.gz SVYSPSFFBCBMRI-LJQANCHMSA-N 0 1 341.451 3.536 20 10 EHCDMN Cc1ccc(C(C)(C)C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768466601 1133145101 /nfs/dbraw/zinc/14/51/01/1133145101.db2.gz SVYSPSFFBCBMRI-LJQANCHMSA-N 0 1 341.451 3.536 20 10 EHCDMN C[C@](O)(C1CCN(Cc2cc(Cl)ccc2O)CC1)C(F)(F)F ZINC000768533304 1133151302 /nfs/dbraw/zinc/15/13/02/1133151302.db2.gz RCPMVTOKXPFRAR-AWEZNQCLSA-N 0 1 337.769 3.571 20 10 EHCDMN C[C@](O)(C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000768533304 1133151306 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10 EHCDMN CCn1nc(CNCc2ccc3c(c2)CCCN3C)c2ccccc21 ZINC000769911190 1133357982 /nfs/dbraw/zinc/35/79/82/1133357982.db2.gz WJWMPDJQGCCZKX-UHFFFAOYSA-N 0 1 334.467 3.728 20 10 EHCDMN CCc1cccc(CN2CCC[C@H]2C(=O)OCc2ccccc2)c1O ZINC001180541093 1133389471 /nfs/dbraw/zinc/38/94/71/1133389471.db2.gz ZNRWSTAUOOBATC-IBGZPJMESA-N 0 1 339.435 3.662 20 10 EHCDMN CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(N(C)C)cc1 ZINC000771792265 1133595715 /nfs/dbraw/zinc/59/57/15/1133595715.db2.gz YFAQIDJWQDTDOB-UHFFFAOYSA-N 0 1 343.446 3.741 20 10 EHCDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)CC2(CCCC2)O1 ZINC000785519415 1133717289 /nfs/dbraw/zinc/71/72/89/1133717289.db2.gz KDANPHWKBMEFIJ-UHFFFAOYSA-N 0 1 326.440 3.864 20 10 EHCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)CC2(CCCC2)O1 ZINC000785519415 1133717291 /nfs/dbraw/zinc/71/72/91/1133717291.db2.gz KDANPHWKBMEFIJ-UHFFFAOYSA-N 0 1 326.440 3.864 20 10 EHCDMN Oc1ccccc1CN(Cc1scnc1C1CC1)C[C@@H]1CCCO1 ZINC000787050612 1133944070 /nfs/dbraw/zinc/94/40/70/1133944070.db2.gz RDZHEHZACUIBRI-INIZCTEOSA-N 0 1 344.480 3.907 20 10 EHCDMN CN(Cc1ccc(Br)o1)Cc1cc2c(cc1O)CCC2 ZINC000746705542 1134028302 /nfs/dbraw/zinc/02/83/02/1134028302.db2.gz HGVXNYYEXHZQKF-UHFFFAOYSA-N 0 1 336.229 3.868 20 10 EHCDMN COc1c([O-])c(C[N@H+](C)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774821671 1134032625 /nfs/dbraw/zinc/03/26/25/1134032625.db2.gz FWYOKHSEETZIBZ-UHFFFAOYSA-N 0 1 336.775 3.594 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774821671 1134032632 /nfs/dbraw/zinc/03/26/32/1134032632.db2.gz FWYOKHSEETZIBZ-UHFFFAOYSA-N 0 1 336.775 3.594 20 10 EHCDMN COc1c([O-])c(C[N@@H+](Cc2ccc(F)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774831147 1134038095 /nfs/dbraw/zinc/03/80/95/1134038095.db2.gz CWYBOWFHGLHUOD-UHFFFAOYSA-N 0 1 348.374 3.859 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000774904640 1134113779 /nfs/dbraw/zinc/11/37/79/1134113779.db2.gz IETFOIKRCLEARS-CQSZACIVSA-N 0 1 344.411 3.680 20 10 EHCDMN FC(F)(F)c1cnc(CNCCCSc2nccs2)s1 ZINC000788523197 1134137999 /nfs/dbraw/zinc/13/79/99/1134137999.db2.gz XKKBUXMGIMWNSR-UHFFFAOYSA-N 0 1 339.433 3.890 20 10 EHCDMN CCOc1cccc(CNCc2oc3ccccc3c2OC)c1O ZINC000788970445 1134198147 /nfs/dbraw/zinc/19/81/47/1134198147.db2.gz SQNOYCJYDQVSNK-UHFFFAOYSA-N 0 1 327.380 3.836 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001203643058 1134240853 /nfs/dbraw/zinc/24/08/53/1134240853.db2.gz QZZXTZXNIYPACD-MRXNPFEDSA-N 0 1 347.256 3.757 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001203643058 1134240859 /nfs/dbraw/zinc/24/08/59/1134240859.db2.gz QZZXTZXNIYPACD-MRXNPFEDSA-N 0 1 347.256 3.757 20 10 EHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(C(C)C)c1 ZINC000790409707 1134412559 /nfs/dbraw/zinc/41/25/59/1134412559.db2.gz VDPVMBDZBCUCHG-UHFFFAOYSA-N 0 1 335.425 3.715 20 10 EHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000790409659 1134412778 /nfs/dbraw/zinc/41/27/78/1134412778.db2.gz TUCAKXFZVZQZJG-UHFFFAOYSA-N 0 1 349.452 3.889 20 10 EHCDMN CC(C)[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C(C)(C)O ZINC000790701727 1134455214 /nfs/dbraw/zinc/45/52/14/1134455214.db2.gz MOZRNYZZTDNRMU-YGRLFVJLSA-N 0 1 330.266 3.601 20 10 EHCDMN Cc1ccccc1-c1nc(CNCc2c(O)ccc(Cl)c2F)no1 ZINC000792175865 1134663684 /nfs/dbraw/zinc/66/36/84/1134663684.db2.gz YQTFRRIBFWHQFU-UHFFFAOYSA-N 0 1 347.777 3.833 20 10 EHCDMN COCC[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CC[C@@H](C)C1 ZINC000792192377 1134666315 /nfs/dbraw/zinc/66/63/15/1134666315.db2.gz JHLWXAOHYKBOEQ-OCCSQVGLSA-N 0 1 342.277 3.792 20 10 EHCDMN Cc1ccccc1-n1nccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000792763509 1134787282 /nfs/dbraw/zinc/78/72/82/1134787282.db2.gz SWVUSHAVLLGEIP-UHFFFAOYSA-N 0 1 334.467 3.879 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000793609638 1134971397 /nfs/dbraw/zinc/97/13/97/1134971397.db2.gz QLHZEYRFZWHZKU-GJZGRUSLSA-N 0 1 340.261 3.607 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1[O-] ZINC000775532490 1135026874 /nfs/dbraw/zinc/02/68/74/1135026874.db2.gz VWBJSJHEJVGKAQ-UKRRQHHQSA-N 0 1 325.836 3.772 20 10 EHCDMN CCC[C@@H](C)CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135119 1135237240 /nfs/dbraw/zinc/23/72/40/1135237240.db2.gz GMAYFZCWEFCPJF-SECBINFHSA-N 0 1 340.272 3.555 20 10 EHCDMN O=C(NCCC1=CCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805226405 1135247012 /nfs/dbraw/zinc/24/70/12/1135247012.db2.gz BCBRBENHFFGWLG-UHFFFAOYSA-N 0 1 329.227 3.999 20 10 EHCDMN COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000775650758 1135415781 /nfs/dbraw/zinc/41/57/81/1135415781.db2.gz FOLXERUMIULXQQ-AWEZNQCLSA-N 0 1 347.842 3.857 20 10 EHCDMN COc1cc(O)c(CN2CCc3cccc(F)c3[C@H]2C)cc1OC ZINC000775699841 1135532565 /nfs/dbraw/zinc/53/25/65/1135532565.db2.gz IFCSKEIGAXSBEG-GFCCVEGCSA-N 0 1 331.387 3.668 20 10 EHCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C1CCC1 ZINC000775703596 1135537837 /nfs/dbraw/zinc/53/78/37/1135537837.db2.gz UUBOHMFSKIRCCM-UHFFFAOYSA-N 0 1 349.066 3.902 20 10 EHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000775706679 1135543963 /nfs/dbraw/zinc/54/39/63/1135543963.db2.gz CBXGBTCHNJVCMH-KRWDZBQOSA-N 0 1 344.842 3.673 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1[N+](=O)[O-] ZINC000807837886 1135581656 /nfs/dbraw/zinc/58/16/56/1135581656.db2.gz FAZPCZKNZRRYQK-UHFFFAOYSA-N 0 1 341.150 3.537 20 10 EHCDMN COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000807838003 1135581679 /nfs/dbraw/zinc/58/16/79/1135581679.db2.gz IRNCHDJBBPXMMQ-UHFFFAOYSA-N 0 1 344.169 3.777 20 10 EHCDMN CCO[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C ZINC000807838152 1135581912 /nfs/dbraw/zinc/58/19/12/1135581912.db2.gz JOCNVDFLCSOEOK-ZDUSSCGKSA-N 0 1 334.243 3.766 20 10 EHCDMN Cc1cccc(NC(=S)Nc2cccc(N3CCN(C)CC3)c2)c1 ZINC001198683343 1135847279 /nfs/dbraw/zinc/84/72/79/1135847279.db2.gz VTFLQFARPKBZHP-UHFFFAOYSA-N 0 1 340.496 3.556 20 10 EHCDMN CCOC(=O)c1ccc(CNCc2ccc(N(CC)CC)cc2)o1 ZINC000809743384 1135884101 /nfs/dbraw/zinc/88/41/01/1135884101.db2.gz QPWCWKJSOFZGEF-UHFFFAOYSA-N 0 1 330.428 3.592 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775997945 1135916225 /nfs/dbraw/zinc/91/62/25/1135916225.db2.gz OIKCDEQREZWYLJ-UHFFFAOYSA-N 0 1 349.833 3.754 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219003 1135938936 /nfs/dbraw/zinc/93/89/36/1135938936.db2.gz MYWSBUPOXZCGRP-DUFXMDAXSA-N 0 1 337.407 3.564 20 10 EHCDMN CC[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224236 1135940418 /nfs/dbraw/zinc/94/04/18/1135940418.db2.gz SRSFOZYHGNCCDT-ZFWWWQNUSA-N 0 1 347.377 3.647 20 10 EHCDMN CC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236948 1135945961 /nfs/dbraw/zinc/94/59/61/1135945961.db2.gz CEVFYZVJIBUMAI-JCQPUDPBSA-N 0 1 349.418 3.753 20 10 EHCDMN C[C@H](NCc1cc(F)cc(F)c1O)c1noc(-c2ccccc2)n1 ZINC001201424807 1136019258 /nfs/dbraw/zinc/01/92/58/1136019258.db2.gz DHPDFARRUSNLGH-JTQLQIEISA-N 0 1 331.322 3.571 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811513214 1136102943 /nfs/dbraw/zinc/10/29/43/1136102943.db2.gz RQWUCZAMRQVPPA-INIZCTEOSA-N 0 1 328.843 3.683 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccnc2N2CCCC2)c(Cl)c1 ZINC000850352950 1136239403 /nfs/dbraw/zinc/23/94/03/1136239403.db2.gz NKGBAKDIQMGKTE-UHFFFAOYSA-N 0 1 331.847 3.639 20 10 EHCDMN Cc1cc(O)c(CNCc2cccnc2N2CCCC2)c(Cl)c1 ZINC000850352950 1136239406 /nfs/dbraw/zinc/23/94/06/1136239406.db2.gz NKGBAKDIQMGKTE-UHFFFAOYSA-N 0 1 331.847 3.639 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000812736077 1136239685 /nfs/dbraw/zinc/23/96/85/1136239685.db2.gz LAVQSYCQJBRWQK-UONOGXRCSA-N 0 1 332.394 3.848 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000850481021 1136266779 /nfs/dbraw/zinc/26/67/79/1136266779.db2.gz GQMWXROBSHPESS-YPMHNXCESA-N 0 1 341.293 3.678 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850484637 1136268256 /nfs/dbraw/zinc/26/82/56/1136268256.db2.gz NJVONWRANMNRPX-DIOULYMOSA-N 0 1 347.377 3.503 20 10 EHCDMN CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1)c1cc(Cl)ccc1[O-] ZINC000850501036 1136272720 /nfs/dbraw/zinc/27/27/20/1136272720.db2.gz JCZFKOSTWCJAQF-JSQNDZKTSA-N 0 1 341.879 3.652 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc2ccccc2c1[O-] ZINC000850500617 1136272807 /nfs/dbraw/zinc/27/28/07/1136272807.db2.gz FLUKHECXHZJVPL-XGGYBDDLSA-N 0 1 331.481 3.886 20 10 EHCDMN C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cc(Br)ccc1[O-] ZINC000850530475 1136279017 /nfs/dbraw/zinc/27/90/17/1136279017.db2.gz ZBMWLBQQCKEKMC-QXKQMHMISA-N 0 1 348.240 3.984 20 10 EHCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1[O-] ZINC000850561142 1136285957 /nfs/dbraw/zinc/28/59/57/1136285957.db2.gz IEXNDJARMLGCDW-ACJLOTCBSA-N 0 1 341.879 3.572 20 10 EHCDMN CN(C)c1ccc(CN(Cc2cnc3ccccc3n2)C2CC2)cc1 ZINC000851732736 1136402175 /nfs/dbraw/zinc/40/21/75/1136402175.db2.gz XBCWKHIVFSXNCK-UHFFFAOYSA-N 0 1 332.451 3.860 20 10 EHCDMN CC[C@@H]1CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000814179084 1136412111 /nfs/dbraw/zinc/41/21/11/1136412111.db2.gz PIYJXVSSMYJFHC-SNVBAGLBSA-N 0 1 349.066 3.902 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000814170326 1136415532 /nfs/dbraw/zinc/41/55/32/1136415532.db2.gz VKGAFFLCUHCWDN-OCCSQVGLSA-N 0 1 346.215 3.940 20 10 EHCDMN COc1cccc(C2([NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])CCC2)c1 ZINC000852693970 1136478322 /nfs/dbraw/zinc/47/83/22/1136478322.db2.gz NACUHUSBVGRZHY-UHFFFAOYSA-N 0 1 343.398 3.912 20 10 EHCDMN CCOc1cccc(CN[C@H]2CCc3ccccc3-n3ccnc32)c1O ZINC000853093611 1136508699 /nfs/dbraw/zinc/50/86/99/1136508699.db2.gz HBZYCWJUFUOERD-KRWDZBQOSA-N 0 1 349.434 3.754 20 10 EHCDMN COc1ccc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)cc1F ZINC000853562345 1136543749 /nfs/dbraw/zinc/54/37/49/1136543749.db2.gz LUZAHBKQFSVJPY-HNNXBMFYSA-N 0 1 345.370 3.606 20 10 EHCDMN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000815633231 1136622046 /nfs/dbraw/zinc/62/20/46/1136622046.db2.gz JGCPUOKQPCLWNV-DOMZBBRYSA-N 0 1 326.868 3.639 20 10 EHCDMN COC1(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCC1 ZINC000815642193 1136625256 /nfs/dbraw/zinc/62/52/56/1136625256.db2.gz VBWRWPNIAHOFKC-NSHDSACASA-N 0 1 328.250 3.765 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000816516283 1136729170 /nfs/dbraw/zinc/72/91/70/1136729170.db2.gz AALPNFIQWYLNNO-OAHLLOKOSA-N 0 1 327.808 3.820 20 10 EHCDMN CCOC(=O)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCC1 ZINC000816591856 1136735354 /nfs/dbraw/zinc/73/53/54/1136735354.db2.gz PSQOHZXMGGZTFW-UHFFFAOYSA-N 0 1 327.424 3.759 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000817944140 1136849943 /nfs/dbraw/zinc/84/99/43/1136849943.db2.gz XNSPGNPKAVRYTD-YCRPNKLZSA-N 0 1 349.478 3.962 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC000818631741 1136886572 /nfs/dbraw/zinc/88/65/72/1136886572.db2.gz ORWTTXNVWVZJKT-VQIMIIECSA-N 0 1 332.488 3.998 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]CCCNc1ccccc1 ZINC000858140405 1136943071 /nfs/dbraw/zinc/94/30/71/1136943071.db2.gz DAXWMUMQCHFROF-UHFFFAOYSA-N 0 1 335.245 3.747 20 10 EHCDMN CN(C)c1cc(F)c(CN[C@@H](CCCO)c2ccccc2)cc1F ZINC000858144829 1136943522 /nfs/dbraw/zinc/94/35/22/1136943522.db2.gz VOIGQSNCUBLFNZ-SFHVURJKSA-N 0 1 334.410 3.634 20 10 EHCDMN CCC(F)(F)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000858802628 1136992563 /nfs/dbraw/zinc/99/25/63/1136992563.db2.gz MUFSMKNIWHHENH-UHFFFAOYSA-N 0 1 327.158 3.544 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1[O-] ZINC000821333075 1137022602 /nfs/dbraw/zinc/02/26/02/1137022602.db2.gz XXLLNFFUTJVJPQ-AWEZNQCLSA-N 0 1 328.387 3.509 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1[O-] ZINC000821333075 1137022604 /nfs/dbraw/zinc/02/26/04/1137022604.db2.gz XXLLNFFUTJVJPQ-AWEZNQCLSA-N 0 1 328.387 3.509 20 10 EHCDMN Cc1cccc(CNCc2ccc(N3CCSCC3)cc2)c1F ZINC000823671338 1137109149 /nfs/dbraw/zinc/10/91/49/1137109149.db2.gz MBVSWGGBQAFBOZ-UHFFFAOYSA-N 0 1 330.472 3.977 20 10 EHCDMN CC(C)N(Cc1ccnn1CC1CC1)Cc1ccc(N(C)C)cc1 ZINC000824567734 1137143083 /nfs/dbraw/zinc/14/30/83/1137143083.db2.gz VHOUJFFWOUUYCS-UHFFFAOYSA-N 0 1 326.488 3.770 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000824855679 1137154701 /nfs/dbraw/zinc/15/47/01/1137154701.db2.gz ORIGYRIROUUZNV-INIZCTEOSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000824855679 1137154702 /nfs/dbraw/zinc/15/47/02/1137154702.db2.gz ORIGYRIROUUZNV-INIZCTEOSA-N 0 1 340.261 3.547 20 10 EHCDMN CN(Cc1csc(C(C)(C)O)n1)Cc1cc(Cl)c(F)cc1O ZINC000825158622 1137168392 /nfs/dbraw/zinc/16/83/92/1137168392.db2.gz SQMHWZBXJWHORG-UHFFFAOYSA-N 0 1 344.839 3.501 20 10 EHCDMN C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825246557 1137170413 /nfs/dbraw/zinc/17/04/13/1137170413.db2.gz DEVJYAPMRZBIPI-LLVKDONJSA-N 0 1 336.229 3.581 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1(CCO)CCCCC1 ZINC000825326958 1137173238 /nfs/dbraw/zinc/17/32/38/1137173238.db2.gz SZGIHWJVSKTHOH-UHFFFAOYSA-N 0 1 342.277 3.577 20 10 EHCDMN C[C@H](NCc1cccc(Br)n1)c1ccc(N(C)C)cc1 ZINC000794500134 1137175651 /nfs/dbraw/zinc/17/56/51/1137175651.db2.gz SFWABZDYUYPJCB-LBPRGKRZSA-N 0 1 334.261 3.761 20 10 EHCDMN CCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H](C)CO ZINC000794713164 1137242495 /nfs/dbraw/zinc/24/24/95/1137242495.db2.gz WIFBDSFWLIHCIK-OAHLLOKOSA-N 0 1 340.427 3.743 20 10 EHCDMN [O-]c1cc(F)c(Br)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001144299250 1137268479 /nfs/dbraw/zinc/26/84/79/1137268479.db2.gz TVWRKHZVHBHZEE-PHIMTYICSA-N 0 1 328.225 3.916 20 10 EHCDMN CCC[N@@H+](Cc1cc(Br)c(F)cc1[O-])C1CCOCC1 ZINC001144307637 1137271008 /nfs/dbraw/zinc/27/10/08/1137271008.db2.gz CUYJNADNSLVSOW-UHFFFAOYSA-N 0 1 346.240 3.685 20 10 EHCDMN Cc1cc(Br)cc([C@@H](C)NCc2cccnc2F)c1O ZINC000794838110 1137280198 /nfs/dbraw/zinc/28/01/98/1137280198.db2.gz WXLYCTSMYXDAMA-SNVBAGLBSA-N 0 1 339.208 3.848 20 10 EHCDMN Cn1ccc2c1nccc2NCc1cc(Br)ccc1O ZINC001171176687 1137286682 /nfs/dbraw/zinc/28/66/82/1137286682.db2.gz WJPHBECESNIZCM-UHFFFAOYSA-N 0 1 332.201 3.654 20 10 EHCDMN COc1cc(F)c(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000845956067 1137320419 /nfs/dbraw/zinc/32/04/19/1137320419.db2.gz IQTXQWRIUATZKB-ZDUSSCGKSA-N 0 1 332.419 3.760 20 10 EHCDMN CCn1nc(CN[C@@H](C)c2cc(OC)ccc2O)c2ccccc21 ZINC000845971422 1137322361 /nfs/dbraw/zinc/32/23/61/1137322361.db2.gz JZWBFKIDZIEPND-ZDUSSCGKSA-N 0 1 325.412 3.621 20 10 EHCDMN COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000846056332 1137327615 /nfs/dbraw/zinc/32/76/15/1137327615.db2.gz VJVLMEFXCDVLIW-GFCCVEGCSA-N 0 1 348.830 3.561 20 10 EHCDMN COc1cccc([C@@H](C)N[C@H]2CCCc3cn(C(C)C)nc32)c1O ZINC000846164235 1137337512 /nfs/dbraw/zinc/33/75/12/1137337512.db2.gz NGVRUUMLRGPKLJ-CJNGLKHVSA-N 0 1 329.444 3.906 20 10 EHCDMN Cc1cc(C[N@H+]2CC[C@]3(C(=O)[O-])CCC[C@H]23)ccc1N1CCCCC1 ZINC000872167612 1137574997 /nfs/dbraw/zinc/57/49/97/1137574997.db2.gz GDGAWCJTAVXMMV-PZJWPPBQSA-N 0 1 342.483 3.815 20 10 EHCDMN CCCOc1ccc(CN[C@H](CO)c2ccccc2OC)cc1C ZINC000873051985 1137588963 /nfs/dbraw/zinc/58/89/63/1137588963.db2.gz JMXIOEBWKSIMNO-GOSISDBHSA-N 0 1 329.440 3.616 20 10 EHCDMN C[C@H](c1ccccc1F)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876568971 1137655810 /nfs/dbraw/zinc/65/58/10/1137655810.db2.gz BDWYFGNEKGZAGH-MRXNPFEDSA-N 0 1 342.458 3.980 20 10 EHCDMN C[C@@H](c1ccccc1F)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876568970 1137655933 /nfs/dbraw/zinc/65/59/33/1137655933.db2.gz BDWYFGNEKGZAGH-INIZCTEOSA-N 0 1 342.458 3.980 20 10 EHCDMN Cc1ccc(CN[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c(O)c1 ZINC000877148911 1137671622 /nfs/dbraw/zinc/67/16/22/1137671622.db2.gz YRSUXSFGNZTTPR-QGZVFWFLSA-N 0 1 338.411 3.633 20 10 EHCDMN O=c1[nH]c2c(cc1C[NH2+]Cc1ccc3ccccc3c1[O-])CCCC2 ZINC000877778988 1137689318 /nfs/dbraw/zinc/68/93/18/1137689318.db2.gz SXAVJVDNUPSMPK-UHFFFAOYSA-N 0 1 334.419 3.815 20 10 EHCDMN CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)[nH]n1 ZINC000877783948 1137689536 /nfs/dbraw/zinc/68/95/36/1137689536.db2.gz LJTNGSMMIYXILI-LBPRGKRZSA-N 0 1 335.398 3.897 20 10 EHCDMN CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)n[nH]1 ZINC000877783948 1137689537 /nfs/dbraw/zinc/68/95/37/1137689537.db2.gz LJTNGSMMIYXILI-LBPRGKRZSA-N 0 1 335.398 3.897 20 10 EHCDMN CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)n[nH]1 ZINC000877783948 1137689538 /nfs/dbraw/zinc/68/95/38/1137689538.db2.gz LJTNGSMMIYXILI-LBPRGKRZSA-N 0 1 335.398 3.897 20 10 EHCDMN O=C1N[C@H](c2ccc(F)c(F)c2O)Nc2c3ccccc3sc21 ZINC000877854159 1137693614 /nfs/dbraw/zinc/69/36/14/1137693614.db2.gz PTJFQSDMJYHJDG-OAHLLOKOSA-N 0 1 332.331 3.739 20 10 EHCDMN CC1(C)N[C@H](c2cccc(Cl)c2O)N(CC2CCCCC2)C1=O ZINC000877857511 1137693741 /nfs/dbraw/zinc/69/37/41/1137693741.db2.gz SQQDZBKUNDXKAU-INIZCTEOSA-N 0 1 336.863 3.835 20 10 EHCDMN C[NH+](C)CCCOc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883063193 1137843241 /nfs/dbraw/zinc/84/32/41/1137843241.db2.gz HKKHAVLRIOYNGG-UHFFFAOYSA-N 0 1 336.382 3.613 20 10 EHCDMN Cc1cccc2ncc(CN(C)Cc3ccc(N4CCCC4)cc3)n21 ZINC001137196479 1137869201 /nfs/dbraw/zinc/86/92/01/1137869201.db2.gz IBXAVERWIMQUCF-UHFFFAOYSA-N 0 1 334.467 3.875 20 10 EHCDMN CCCN(Cc1ccccc1O)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000076074239 1138129573 /nfs/dbraw/zinc/12/95/73/1138129573.db2.gz ITVXQURNHJVJFS-AWEZNQCLSA-N 0 1 338.411 3.810 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000264950776 1138683661 /nfs/dbraw/zinc/68/36/61/1138683661.db2.gz KJLQASIIJNQMPQ-UHFFFAOYSA-N 0 1 331.847 3.721 20 10 EHCDMN C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180678284 1139855287 /nfs/dbraw/zinc/85/52/87/1139855287.db2.gz QIHDNHWLPGHADR-IPQOISQHSA-N 0 1 337.872 3.976 20 10 EHCDMN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000185782078 1140169293 /nfs/dbraw/zinc/16/92/93/1140169293.db2.gz KZYVNMLTZNIOMT-QWRGUYRKSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc2ccccc2c1[O-] ZINC000186091824 1140186089 /nfs/dbraw/zinc/18/60/89/1140186089.db2.gz YNQBPPXESYYQSF-AWEZNQCLSA-N 0 1 326.440 3.502 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777438968 1140269267 /nfs/dbraw/zinc/26/92/67/1140269267.db2.gz DVBGTKMXXBRGKH-OAHLLOKOSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777438968 1140269272 /nfs/dbraw/zinc/26/92/72/1140269272.db2.gz DVBGTKMXXBRGKH-OAHLLOKOSA-N 0 1 340.261 3.546 20 10 EHCDMN C[C@H](C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C1CC1)C(=O)[O-] ZINC000736585819 599992622 /nfs/dbraw/zinc/99/26/22/599992622.db2.gz WVZJDUGMONIDCY-GFCCVEGCSA-N 0 1 339.391 3.977 20 10 EHCDMN C[C@@H](C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1)C(=O)[O-] ZINC000833516185 605750436 /nfs/dbraw/zinc/75/04/36/605750436.db2.gz HFLOYYZWANUYSW-AWEZNQCLSA-N 0 1 325.408 3.744 20 10 EHCDMN CC(C)c1ccc(O)c(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001603106791 972180835 /nfs/dbraw/zinc/18/08/35/972180835.db2.gz HXCHHEFTCUVQML-SFHVURJKSA-N 0 1 325.408 3.700 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Br)ccc1[O-] ZINC000120212243 1014745445 /nfs/dbraw/zinc/74/54/45/1014745445.db2.gz UJOUBPDWXMWJIB-JQWIXIFHSA-N 0 1 328.250 3.763 20 10 EHCDMN C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593256814 994523133 /nfs/dbraw/zinc/52/31/33/994523133.db2.gz JNDFNPQOTARVNY-PBHICJAKSA-N 0 1 346.471 3.538 20 10 EHCDMN C[C@@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593256814 994523140 /nfs/dbraw/zinc/52/31/40/994523140.db2.gz JNDFNPQOTARVNY-PBHICJAKSA-N 0 1 346.471 3.538 20 10 EHCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528398949 1032223967 /nfs/dbraw/zinc/22/39/67/1032223967.db2.gz YJXBSVNFVBIWPZ-GOSISDBHSA-N 0 1 330.472 3.538 20 10 EHCDMN CN(C)c1ccc(CNCc2cnc(CC(F)(F)F)s2)cc1F ZINC000892738123 1017278968 /nfs/dbraw/zinc/27/89/68/1017278968.db2.gz RHTWEPUBVZKCQX-UHFFFAOYSA-N 0 1 347.381 3.743 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322121 1033432297 /nfs/dbraw/zinc/43/22/97/1033432297.db2.gz YDNVHXRPDMEAAN-MRXNPFEDSA-N 0 1 333.229 3.791 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898324601 1033435153 /nfs/dbraw/zinc/43/51/53/1033435153.db2.gz ITGCMQGTKOLCBQ-MRXNPFEDSA-N 0 1 333.229 3.791 20 10 EHCDMN CC[C@H]([NH2+]CC(O)(CC)CC)c1cc(Br)ccc1[O-] ZINC000087014092 1019323876 /nfs/dbraw/zinc/32/38/76/1019323876.db2.gz ARXSDAJNEBMSOQ-ZDUSSCGKSA-N 0 1 330.266 3.747 20 10 EHCDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC000069752571 1020799945 /nfs/dbraw/zinc/79/99/45/1020799945.db2.gz KDXJQOQBXIMFOX-BEFAXECRSA-N 0 1 326.440 3.529 20 10 EHCDMN COc1ccc(CN(C)Cc2ccc(Cl)s2)c(O)c1OC ZINC000891497758 1021767769 /nfs/dbraw/zinc/76/77/69/1021767769.db2.gz HDOHVPPINIGNJX-UHFFFAOYSA-N 0 1 327.833 3.756 20 10 EHCDMN COc1ccc(CN2CCSC[C@@H]2c2ccccc2)c(O)c1OC ZINC000891580703 1021989892 /nfs/dbraw/zinc/98/98/92/1021989892.db2.gz BVDNKFLGDJODEU-MRXNPFEDSA-N 0 1 345.464 3.700 20 10 EHCDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CC(CC(F)F)C1 ZINC000895055050 1022796199 /nfs/dbraw/zinc/79/61/99/1022796199.db2.gz HOYADJMGDMHAHY-UHFFFAOYSA-N 0 1 340.595 3.895 20 10 EHCDMN CCN(CC)c1ccc(CN(C)CC[S@](=O)c2ccccc2)cc1 ZINC000729542899 1024595900 /nfs/dbraw/zinc/59/59/00/1024595900.db2.gz RWIMEDSXBZHKEO-DEOSSOPVSA-N 0 1 344.524 3.772 20 10 EHCDMN CN1CCCc2cc(CNCc3nc(-c4ccccc4)c[nH]3)ccc21 ZINC000194273991 1025121567 /nfs/dbraw/zinc/12/15/67/1025121567.db2.gz FTNDLTZYQQHIDF-UHFFFAOYSA-N 0 1 332.451 3.749 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000277811838 1027011513 /nfs/dbraw/zinc/01/15/13/1027011513.db2.gz YYLKQGIIXLJGJQ-UHFFFAOYSA-N 0 1 347.256 3.718 20 10 EHCDMN C[C@@H](N[C@@H](C)c1csnn1)c1cc(Br)c(F)cc1O ZINC000840886178 1027469354 /nfs/dbraw/zinc/46/93/54/1027469354.db2.gz QPGBHJWJWRASNY-RQJHMYQMSA-N 0 1 346.225 3.557 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2nnc(-c3ccccc3)s2)c1 ZINC000120204924 1027952524 /nfs/dbraw/zinc/95/25/24/1027952524.db2.gz HQGLSYJNRWJZSJ-GFCCVEGCSA-N 0 1 341.436 3.770 20 10 EHCDMN Cn1c(=O)oc2cc(NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000127826562 1029735854 /nfs/dbraw/zinc/73/58/54/1029735854.db2.gz XQMQBMRDCVEKOI-UHFFFAOYSA-N 0 1 339.178 3.756 20 10 EHCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)c1cccc(O)c1 ZINC000278310063 1030100519 /nfs/dbraw/zinc/10/05/19/1030100519.db2.gz WTBAZDRCRUOMCA-LBPRGKRZSA-N 0 1 346.383 3.598 20 10 EHCDMN C[C@@H](c1ccc(F)cc1F)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128842421 1031357224 /nfs/dbraw/zinc/35/72/24/1031357224.db2.gz MJPSDKXVVIMJEE-HNNXBMFYSA-N 0 1 346.421 3.994 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(Cl)ccc1[O-] ZINC000528003212 1031567758 /nfs/dbraw/zinc/56/77/58/1031567758.db2.gz OPYQEOTVCPEJPS-DLBZAZTESA-N 0 1 344.842 3.913 20 10 EHCDMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000168242706 1033442221 /nfs/dbraw/zinc/44/22/21/1033442221.db2.gz CFELZKNCQXVQHB-QWHCGFSZSA-N 0 1 347.434 3.679 20 10 EHCDMN C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000757637045 1034116727 /nfs/dbraw/zinc/11/67/27/1034116727.db2.gz LCUMBASYKQZTCF-SRVKXCTJSA-N 0 1 328.250 3.620 20 10 EHCDMN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000230157261 1034803367 /nfs/dbraw/zinc/80/33/67/1034803367.db2.gz RAHJVTFMRYAGDQ-UHFFFAOYSA-N 0 1 340.851 3.583 20 10 EHCDMN COc1cc(C)cc(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1O ZINC000164406009 1035604504 /nfs/dbraw/zinc/60/45/04/1035604504.db2.gz AZAVICOERHATRN-LIRRHRJNSA-N 0 1 345.414 3.810 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2cc(-c3cccs3)on2)c1 ZINC000182338430 1038583837 /nfs/dbraw/zinc/58/38/37/1038583837.db2.gz GKCMBMYMQVZURE-NSHDSACASA-N 0 1 330.409 3.968 20 10 EHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+](CCCCO)C1CC1 ZINC000894021474 1039968642 /nfs/dbraw/zinc/96/86/42/1039968642.db2.gz VDUOYAHUMIIXFT-UHFFFAOYSA-N 0 1 348.668 3.545 20 10 EHCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000894052691 1040016966 /nfs/dbraw/zinc/01/69/66/1040016966.db2.gz DSAGYXJHFWQUOO-OAHLLOKOSA-N 0 1 333.378 3.709 20 10 EHCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])NC(=O)OC(C)(C)C ZINC000195142202 1041389440 /nfs/dbraw/zinc/38/94/40/1041389440.db2.gz ZDMSJEHJWQURRA-QWRGUYRKSA-N 0 1 328.840 3.609 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000279373404 1044010148 /nfs/dbraw/zinc/01/01/48/1044010148.db2.gz ICEDALYOFYVXSQ-UHFFFAOYSA-N 0 1 345.874 3.958 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@](C)(CO)Cc2ccccc2F)cc1Cl ZINC001659761106 1126263691 /nfs/dbraw/zinc/26/36/91/1126263691.db2.gz IQBUUOHUMIVBMS-SFHVURJKSA-N 0 1 337.822 3.576 20 10 EHCDMN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCOCC1 ZINC000184915558 1126713107 /nfs/dbraw/zinc/71/31/07/1126713107.db2.gz IQBWVXIBSVDVLX-JXFKEZNVSA-N 0 1 342.483 3.553 20 10 EHCDMN CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1cc(Br)ccc1[O-] ZINC000186189114 1128080759 /nfs/dbraw/zinc/08/07/59/1128080759.db2.gz MJRGZWQWJXOSOO-HIFRSBDPSA-N 0 1 330.266 3.602 20 10 EHCDMN O=C(Nc1ccc(Nc2ccccc2)cn1)c1c(F)ccc(O)c1O ZINC001648931677 1120237216 /nfs/dbraw/zinc/23/72/16/1120237216.db2.gz BGYUZYTWRIBWKS-UHFFFAOYSA-N 0 1 339.326 3.628 20 10 EHCDMN O=C(NCCc1nc[nH]n1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000763078745 1121675948 /nfs/dbraw/zinc/67/59/48/1121675948.db2.gz OXPMMXRIPCGQLC-UHFFFAOYSA-N 0 1 335.371 3.584 20 10 EHCDMN CC(C)N(CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1ccc(N(C)C)cc1 ZINC000917074907 1122472112 /nfs/dbraw/zinc/47/21/12/1122472112.db2.gz KTWRXBIWBRQKAB-QZTJIDSGSA-N 0 1 345.531 3.753 20 10 EHCDMN CC(C)N(CC(=O)Nc1cccc(F)c1)Cc1ccc(N(C)C)cc1 ZINC000917075440 1122473241 /nfs/dbraw/zinc/47/32/41/1122473241.db2.gz VSJHPXGXWWIGOE-UHFFFAOYSA-N 0 1 343.446 3.741 20 10 EHCDMN CCOc1cccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1O ZINC000154285111 1122506854 /nfs/dbraw/zinc/50/68/54/1122506854.db2.gz DCKCDZAPNHHDIN-UHFFFAOYSA-N 0 1 342.395 3.864 20 10 EHCDMN CN(Cc1ccc(N(C)C)cc1)Cc1cccc2c1OCCCO2 ZINC000155193185 1123317624 /nfs/dbraw/zinc/31/76/24/1123317624.db2.gz XQYGFGFWUYEPIX-UHFFFAOYSA-N 0 1 326.440 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCCc2cccnc21 ZINC000922885505 1129720498 /nfs/dbraw/zinc/72/04/98/1129720498.db2.gz QQRRNDNGUJHEJC-AWEZNQCLSA-N 0 1 333.229 3.717 20 10 EHCDMN Oc1cccc(Br)c1CN[C@H]1CCCc2cccnc21 ZINC000922885505 1129720500 /nfs/dbraw/zinc/72/05/00/1129720500.db2.gz QQRRNDNGUJHEJC-AWEZNQCLSA-N 0 1 333.229 3.717 20 10 EHCDMN CC[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@@H]1CCOC1 ZINC000738082843 1131460373 /nfs/dbraw/zinc/46/03/73/1131460373.db2.gz UBMOKTZNYZHUHI-AWEZNQCLSA-N 0 1 329.440 3.876 20 10 EHCDMN CC[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@@H]1CCOC1 ZINC000738082843 1131460375 /nfs/dbraw/zinc/46/03/75/1131460375.db2.gz UBMOKTZNYZHUHI-AWEZNQCLSA-N 0 1 329.440 3.876 20 10 EHCDMN Cc1cc(C(=O)NCc2cnc[nH]2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000742180458 1131698157 /nfs/dbraw/zinc/69/81/57/1131698157.db2.gz WIPJGMOKQXZJBJ-UHFFFAOYSA-N 0 1 336.439 3.871 20 10 EHCDMN Nc1ccc(OC(=O)c2ccc(Nc3ccc4nccn4c3)cc2)cc1 ZINC001174280461 1132297241 /nfs/dbraw/zinc/29/72/41/1132297241.db2.gz XPKVKXMHSPZRTF-UHFFFAOYSA-N 0 1 344.374 3.879 20 10 EHCDMN O=C1c2ccccc2C(=O)c2cc(Nc3ccc4nccn4c3)ccc21 ZINC001174276913 1132310059 /nfs/dbraw/zinc/31/00/59/1132310059.db2.gz XAZCNMOLHJZTSR-UHFFFAOYSA-N 0 1 339.354 3.853 20 10 EHCDMN CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1nc(C2CC2)no1 ZINC001177811107 1133105484 /nfs/dbraw/zinc/10/54/84/1133105484.db2.gz RSCOPAOZPVBSIO-CYBMUJFWSA-N 0 1 339.798 3.932 20 10 EHCDMN CCn1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000768257006 1133117273 /nfs/dbraw/zinc/11/72/73/1133117273.db2.gz GNEXJQBREKSPTQ-UHFFFAOYSA-N 0 1 326.488 3.750 20 10 EHCDMN COCC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000768539652 1133152784 /nfs/dbraw/zinc/15/27/84/1133152784.db2.gz AIZMQQPEXPLUDF-LBPRGKRZSA-N 0 1 342.823 3.592 20 10 EHCDMN COCC[C@@H]1CCCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000768539682 1133153025 /nfs/dbraw/zinc/15/30/25/1133153025.db2.gz ASEMCFWOTXJAHF-ZDUSSCGKSA-N 0 1 342.277 3.793 20 10 EHCDMN CC1([NH2+]Cc2cc(Br)ccc2[O-])Cc2ccccc2C1 ZINC000768655280 1133166560 /nfs/dbraw/zinc/16/65/60/1133166560.db2.gz IOAOGVGWYSWUJQ-UHFFFAOYSA-N 0 1 332.241 3.802 20 10 EHCDMN CCN(C)c1ccc(CN(C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000773754736 1133179772 /nfs/dbraw/zinc/17/97/72/1133179772.db2.gz NJEXWKYSSSLWSE-HSZRJFAPSA-N 0 1 330.497 3.512 20 10 EHCDMN CC(C)[N@H+](Cc1ccccn1)Cc1cc(Br)ccc1[O-] ZINC000768925138 1133204069 /nfs/dbraw/zinc/20/40/69/1133204069.db2.gz CBELIMWHEBVYOO-UHFFFAOYSA-N 0 1 335.245 3.960 20 10 EHCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1cc(Br)ccc1[O-] ZINC000768925138 1133204074 /nfs/dbraw/zinc/20/40/74/1133204074.db2.gz CBELIMWHEBVYOO-UHFFFAOYSA-N 0 1 335.245 3.960 20 10 EHCDMN Oc1c(F)cc(Br)cc1CN[C@@H](C1CC1)C(F)(F)F ZINC001178860184 1133207267 /nfs/dbraw/zinc/20/72/67/1133207267.db2.gz VAZFSQBLCYJQAN-NSHDSACASA-N 0 1 342.130 3.724 20 10 EHCDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1F ZINC000769314214 1133260201 /nfs/dbraw/zinc/26/02/01/1133260201.db2.gz WJOULXSPAOWRGD-KRWDZBQOSA-N 0 1 330.451 3.706 20 10 EHCDMN CN(C)c1ccc(/C=C\CN2CCN(c3cccs3)CC2)cc1 ZINC001180057830 1133323646 /nfs/dbraw/zinc/32/36/46/1133323646.db2.gz JIYBFOWYKDXOPT-HYXAFXHYSA-N 0 1 327.497 3.650 20 10 EHCDMN CN(C)c1ccc(/C=C/CN2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC001180208145 1133343997 /nfs/dbraw/zinc/34/39/97/1133343997.db2.gz GCRNRVSUQHYRMT-VOTSOKGWSA-N 0 1 344.499 3.820 20 10 EHCDMN CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691501917 1133559185 /nfs/dbraw/zinc/55/91/85/1133559185.db2.gz QWJKCFCKBZEMBY-STQMWFEESA-N 0 1 330.291 3.919 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1Cl ZINC001182160009 1133580770 /nfs/dbraw/zinc/58/07/70/1133580770.db2.gz DIXJDRIAYUCERI-KRWDZBQOSA-N 0 1 342.870 3.991 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1Cl ZINC001182160009 1133580775 /nfs/dbraw/zinc/58/07/75/1133580775.db2.gz DIXJDRIAYUCERI-KRWDZBQOSA-N 0 1 342.870 3.991 20 10 EHCDMN COC(=O)c1c(CN2CC(C3CCCC3)C2)c2cc(F)ccc2n1C ZINC001182225791 1133599466 /nfs/dbraw/zinc/59/94/66/1133599466.db2.gz DRZJNTTUIYMBLS-UHFFFAOYSA-N 0 1 344.430 3.726 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000785613321 1133731213 /nfs/dbraw/zinc/73/12/13/1133731213.db2.gz DYAXRKUWEYMEAJ-OAHLLOKOSA-N 0 1 330.186 3.661 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH+]1CC(Cc2cccs2)C1 ZINC001183188845 1133776445 /nfs/dbraw/zinc/77/64/45/1133776445.db2.gz NZFPROIGBPELLQ-UHFFFAOYSA-N 0 1 338.270 3.891 20 10 EHCDMN C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788545091 1134140333 /nfs/dbraw/zinc/14/03/33/1134140333.db2.gz GVHHTUWSWCYWJP-GFCCVEGCSA-N 0 1 342.405 3.936 20 10 EHCDMN Cn1ccnc1[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000790949642 1134484011 /nfs/dbraw/zinc/48/40/11/1134484011.db2.gz GRPGHABLWLTATJ-KRWDZBQOSA-N 0 1 345.805 3.797 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CNCc1ccn(-c2ccccc2)n1 ZINC000790961943 1134486415 /nfs/dbraw/zinc/48/64/15/1134486415.db2.gz FICJJIKQJUOXBH-UHFFFAOYSA-N 0 1 331.778 3.660 20 10 EHCDMN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792167398 1134661257 /nfs/dbraw/zinc/66/12/57/1134661257.db2.gz HBYFQOOMIOZOLZ-JTQLQIEISA-N 0 1 346.830 3.530 20 10 EHCDMN CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000775371708 1134675145 /nfs/dbraw/zinc/67/51/45/1134675145.db2.gz POOCERIDLDHNFF-GOEBONIOSA-N 0 1 342.277 3.838 20 10 EHCDMN CN(C)c1ccc(N=Nc2cccc(C(=O)NCc3cnc[nH]3)c2)cc1 ZINC001190963481 1134771636 /nfs/dbraw/zinc/77/16/36/1134771636.db2.gz HHZDPGZWOIYBAJ-UHFFFAOYSA-N 0 1 348.410 3.821 20 10 EHCDMN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])CC1CCC1 ZINC000793352323 1134917138 /nfs/dbraw/zinc/91/71/38/1134917138.db2.gz LGFJYWJDBRWRDD-UHFFFAOYSA-N 0 1 328.250 3.785 20 10 EHCDMN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])CC1CCC1 ZINC000793352323 1134917145 /nfs/dbraw/zinc/91/71/45/1134917145.db2.gz LGFJYWJDBRWRDD-UHFFFAOYSA-N 0 1 328.250 3.785 20 10 EHCDMN CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775490811 1134937758 /nfs/dbraw/zinc/93/77/58/1134937758.db2.gz DNBHJKZGCAXJBN-KRWDZBQOSA-N 0 1 346.858 3.745 20 10 EHCDMN CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775493204 1134946123 /nfs/dbraw/zinc/94/61/23/1134946123.db2.gz VEZGGSONTOQZQR-OAHLLOKOSA-N 0 1 333.819 3.777 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775493193 1134946280 /nfs/dbraw/zinc/94/62/80/1134946280.db2.gz VENHEBLPNFVWJC-MRXNPFEDSA-N 0 1 342.830 3.867 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000793608442 1134970309 /nfs/dbraw/zinc/97/03/09/1134970309.db2.gz INWPGMYLLYFFPY-UHFFFAOYSA-N 0 1 330.384 3.676 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Cl)ccc1[O-] ZINC000775508656 1134970656 /nfs/dbraw/zinc/97/06/56/1134970656.db2.gz WFVGVCWVXVSHKC-QGZVFWFLSA-N 0 1 342.830 3.867 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000775511394 1134981961 /nfs/dbraw/zinc/98/19/61/1134981961.db2.gz AIQVKPYSLTXTAC-BBRMVZONSA-N 0 1 349.837 3.899 20 10 EHCDMN CC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775527408 1135015139 /nfs/dbraw/zinc/01/51/39/1135015139.db2.gz XILWBNRZGNPCJQ-RDJZCZTQSA-N 0 1 337.822 3.829 20 10 EHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000775648065 1135396971 /nfs/dbraw/zinc/39/69/71/1135396971.db2.gz OZOKVVPZVRVFMJ-KRWDZBQOSA-N 0 1 330.859 3.752 20 10 EHCDMN CN(Cc1cccc(Cl)c1[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775648065 1135396976 /nfs/dbraw/zinc/39/69/76/1135396976.db2.gz OZOKVVPZVRVFMJ-KRWDZBQOSA-N 0 1 330.859 3.752 20 10 EHCDMN CN(Cc1cccc(Cl)c1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775648065 1135396982 /nfs/dbraw/zinc/39/69/82/1135396982.db2.gz OZOKVVPZVRVFMJ-KRWDZBQOSA-N 0 1 330.859 3.752 20 10 EHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc1O ZINC000775664548 1135439913 /nfs/dbraw/zinc/43/99/13/1135439913.db2.gz XTLSWJUOIYSNFD-UHFFFAOYSA-N 0 1 325.767 3.531 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](c2ccccc2F)C1 ZINC000775678452 1135503358 /nfs/dbraw/zinc/50/33/58/1135503358.db2.gz DOBUMXMLWFHSGZ-INIZCTEOSA-N 0 1 339.769 3.897 20 10 EHCDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)cc(C)c1O ZINC000775720543 1135575944 /nfs/dbraw/zinc/57/59/44/1135575944.db2.gz LASVYVBLRAZOEJ-SJORKVTESA-N 0 1 338.879 3.575 20 10 EHCDMN O=C(Cc1c(F)cccc1F)NCc1cc(Cl)cc(Cl)c1O ZINC000807836542 1135580260 /nfs/dbraw/zinc/58/02/60/1135580260.db2.gz ZYEQAOIMNRXLLL-UHFFFAOYSA-N 0 1 346.160 3.836 20 10 EHCDMN Cc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)sc1C ZINC000807839463 1135581335 /nfs/dbraw/zinc/58/13/35/1135581335.db2.gz FAJGYMZUKYPZFF-UHFFFAOYSA-N 0 1 331.224 3.702 20 10 EHCDMN CCOc1ccc(CN[C@@H](C)c2nccn2-c2ccccc2)c(O)c1 ZINC000808428623 1135674447 /nfs/dbraw/zinc/67/44/47/1135674447.db2.gz ITYGRWYHGXDHHK-HNNXBMFYSA-N 0 1 337.423 3.827 20 10 EHCDMN C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Cl)ccc1[O-] ZINC000809701743 1135874708 /nfs/dbraw/zinc/87/47/08/1135874708.db2.gz JSELVQBXLLXJQW-UHFFFAOYSA-N 0 1 343.814 3.770 20 10 EHCDMN C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Cl)ccc1[O-] ZINC000809701743 1135874710 /nfs/dbraw/zinc/87/47/10/1135874710.db2.gz JSELVQBXLLXJQW-UHFFFAOYSA-N 0 1 343.814 3.770 20 10 EHCDMN Cc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])cc(Cl)n1 ZINC000809713771 1135876809 /nfs/dbraw/zinc/87/68/09/1135876809.db2.gz ZGWXOCUFDHXZIU-UHFFFAOYSA-N 0 1 341.636 3.801 20 10 EHCDMN C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809766798 1135879725 /nfs/dbraw/zinc/87/97/25/1135879725.db2.gz AYDWBIJOZOEAIV-IAQYHMDHSA-N 0 1 329.271 3.615 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@]2(C)CCCO)c1 ZINC000809757726 1135887097 /nfs/dbraw/zinc/88/70/97/1135887097.db2.gz SKWJXCXXQHLKQB-INIZCTEOSA-N 0 1 342.277 3.590 20 10 EHCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)[C@H]1Oc1ccccc1 ZINC000776006764 1135918698 /nfs/dbraw/zinc/91/86/98/1135918698.db2.gz KIOIAOBTQNGRCT-BHIYHBOVSA-N 0 1 347.842 3.760 20 10 EHCDMN CC[C@H]([NH2+]CCN1CCSCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219074 1135938984 /nfs/dbraw/zinc/93/89/84/1135938984.db2.gz ZNBNUCNFBYYDHN-AWEZNQCLSA-N 0 1 348.434 3.501 20 10 EHCDMN CC[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217390 1135939024 /nfs/dbraw/zinc/93/90/24/1135939024.db2.gz CLXFQYBLMRVJGN-DOMZBBRYSA-N 0 1 347.377 3.505 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211013 1135943577 /nfs/dbraw/zinc/94/35/77/1135943577.db2.gz KDZCFBXRIBJJKU-CABCVRRESA-N 0 1 330.394 3.792 20 10 EHCDMN CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000810253858 1135948783 /nfs/dbraw/zinc/94/87/83/1135948783.db2.gz FOJGPFPAFXJXFD-VXGBXAGGSA-N 0 1 329.282 3.534 20 10 EHCDMN Cc1cc(Br)cc(CN2CCC(F)(F)[C@@H](C)C2)c1O ZINC000811512499 1136103131 /nfs/dbraw/zinc/10/31/31/1136103131.db2.gz MQTUFYAHJRYQGF-JTQLQIEISA-N 0 1 334.204 3.940 20 10 EHCDMN CCN(CC)c1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1F ZINC000850370841 1136242957 /nfs/dbraw/zinc/24/29/57/1136242957.db2.gz FZZZTSHGEYAXTD-AZUAARDMSA-N 0 1 328.431 3.940 20 10 EHCDMN CCc1cccc(F)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406844 1136251337 /nfs/dbraw/zinc/25/13/37/1136251337.db2.gz WLGHKISSOKXTIW-UHFFFAOYSA-N 0 1 342.458 3.639 20 10 EHCDMN CC[C@H]([NH2+][C@H](COC)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000850492388 1136270974 /nfs/dbraw/zinc/27/09/74/1136270974.db2.gz APGUGQSFDJDGAG-JKSUJKDBSA-N 0 1 327.852 3.528 20 10 EHCDMN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000850541558 1136282569 /nfs/dbraw/zinc/28/25/69/1136282569.db2.gz XTXAOHULUHIGCT-UOJCXKCYSA-N 0 1 343.446 3.814 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1F ZINC000850565097 1136287060 /nfs/dbraw/zinc/28/70/60/1136287060.db2.gz ACFJPCBUSPSQAF-CQSZACIVSA-N 0 1 346.421 3.777 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000850570474 1136288429 /nfs/dbraw/zinc/28/84/29/1136288429.db2.gz HNGMPHPLHNRIER-QWRGUYRKSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000850581157 1136292679 /nfs/dbraw/zinc/29/26/79/1136292679.db2.gz UUYXWHFSDARSOF-AYVTZFPOSA-N 0 1 345.748 3.847 20 10 EHCDMN O=Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 ZINC000813684218 1136356183 /nfs/dbraw/zinc/35/61/83/1136356183.db2.gz MLLBGVSWYPSVEQ-UHFFFAOYSA-N 0 1 330.192 3.503 20 10 EHCDMN CC[C@@H]([NH2+]CC1(COC)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000813874593 1136370889 /nfs/dbraw/zinc/37/08/89/1136370889.db2.gz GNKMWFDVMYAGMO-OAHLLOKOSA-N 0 1 327.852 3.530 20 10 EHCDMN CN(CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1ccccc1O ZINC000111236385 1136525039 /nfs/dbraw/zinc/52/50/39/1136525039.db2.gz WKHYCCSMVHJNBY-GOSISDBHSA-N 0 1 346.496 3.789 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CC2(CC2(F)F)C1 ZINC000854475925 1136619149 /nfs/dbraw/zinc/61/91/49/1136619149.db2.gz XXJLAGDSEDEOCL-UHFFFAOYSA-N 0 1 336.165 3.751 20 10 EHCDMN COc1ccc(CN(Cc2cc(F)cc(C(C)=O)c2O)C2CC2)cc1 ZINC000748046019 1136677181 /nfs/dbraw/zinc/67/71/81/1136677181.db2.gz BVLUBGKIPAHRDS-UHFFFAOYSA-N 0 1 343.398 3.907 20 10 EHCDMN [O-]c1c(C[NH+]2CCN(c3ccccc3O)CC2)ccc2ccccc21 ZINC000816480786 1136722634 /nfs/dbraw/zinc/72/26/34/1136722634.db2.gz XEONYIFWSQLVRQ-UHFFFAOYSA-N 0 1 334.419 3.573 20 10 EHCDMN [O-]c1c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816498820 1136727645 /nfs/dbraw/zinc/72/76/45/1136727645.db2.gz OEKDVIQIRKNHLT-LJQANCHMSA-N 0 1 341.451 3.705 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000816510627 1136728857 /nfs/dbraw/zinc/72/88/57/1136728857.db2.gz AZJKADXZUOJLEJ-QGZVFWFLSA-N 0 1 335.806 3.667 20 10 EHCDMN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816514354 1136729330 /nfs/dbraw/zinc/72/93/30/1136729330.db2.gz VBGYVBUAYNLKIA-UHFFFAOYSA-N 0 1 346.830 3.531 20 10 EHCDMN [O-]c1c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)ccc2ccccc21 ZINC000816557259 1136735955 /nfs/dbraw/zinc/73/59/55/1136735955.db2.gz JMXLYAINXKADLY-QFBILLFUSA-N 0 1 329.465 3.690 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857062945 1136839812 /nfs/dbraw/zinc/83/98/12/1136839812.db2.gz PAWYMYBADHUFDR-SECBINFHSA-N 0 1 339.060 3.828 20 10 EHCDMN CC[C@@H](NC[C@@]1(COC)CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817975883 1136854346 /nfs/dbraw/zinc/85/43/46/1136854346.db2.gz ZEXNUDDSEDOFFO-CZUORRHYSA-N 0 1 347.286 3.508 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@]1(COC)CCCN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817975883 1136854348 /nfs/dbraw/zinc/85/43/48/1136854348.db2.gz ZEXNUDDSEDOFFO-CZUORRHYSA-N 0 1 347.286 3.508 20 10 EHCDMN CCc1nc(CC[NH2+]Cc2c([O-])cccc2Br)cs1 ZINC000858123403 1136941948 /nfs/dbraw/zinc/94/19/48/1136941948.db2.gz XTHCNMBLLIBKOB-UHFFFAOYSA-N 0 1 341.274 3.506 20 10 EHCDMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1c(O)cccc1Br ZINC000858165462 1136945616 /nfs/dbraw/zinc/94/56/16/1136945616.db2.gz USEMXGMHMDNKHU-MGPLVRAMSA-N 0 1 334.213 3.767 20 10 EHCDMN CC(C)CC[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000858484874 1136972105 /nfs/dbraw/zinc/97/21/05/1136972105.db2.gz DGWGBYKCAQGGAT-DGCLKSJQSA-N 0 1 330.266 3.602 20 10 EHCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822570581 1137065454 /nfs/dbraw/zinc/06/54/54/1137065454.db2.gz NMDDHDHXRHOMBE-LJQANCHMSA-N 0 1 343.515 3.508 20 10 EHCDMN CCC(CC)NC(=O)[C@H](C)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000862024065 1137127277 /nfs/dbraw/zinc/12/72/77/1137127277.db2.gz OZKJOHIVJWCQRI-INIZCTEOSA-N 0 1 333.520 3.658 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000862347568 1137139282 /nfs/dbraw/zinc/13/92/82/1137139282.db2.gz GPEPNKJUAHXJOL-VIFPVBQESA-N 0 1 338.167 3.929 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000862347568 1137139283 /nfs/dbraw/zinc/13/92/83/1137139283.db2.gz GPEPNKJUAHXJOL-VIFPVBQESA-N 0 1 338.167 3.929 20 10 EHCDMN C[C@H](CN(C)Cc1cc(F)c(N(C)C)cc1F)c1nccs1 ZINC000862322506 1137138162 /nfs/dbraw/zinc/13/81/62/1137138162.db2.gz MJRHUKCBJPPPOA-LLVKDONJSA-N 0 1 325.428 3.723 20 10 EHCDMN Cn1cccc1[C@@H]1CCCN1Cc1ccc(Br)cc1O ZINC000824530373 1137141733 /nfs/dbraw/zinc/14/17/33/1137141733.db2.gz ZFWZACFRDLRTOS-HNNXBMFYSA-N 0 1 335.245 3.830 20 10 EHCDMN C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1c([O-])cccc1Cl ZINC000824501335 1137142097 /nfs/dbraw/zinc/14/20/97/1137142097.db2.gz HWFYPBVONIICFO-LBPRGKRZSA-N 0 1 342.867 3.829 20 10 EHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1OC1CC1 ZINC000862402851 1137142727 /nfs/dbraw/zinc/14/27/27/1137142727.db2.gz LIXSVERSDCVKGF-UHFFFAOYSA-N 0 1 333.815 3.885 20 10 EHCDMN O=C1C[C@@]2(CCCN(Cc3cc(F)ccc3O)C2)Oc2ccccc21 ZINC000862482228 1137146261 /nfs/dbraw/zinc/14/62/61/1137146261.db2.gz QLPYKMWRYXANRS-HXUWFJFHSA-N 0 1 341.382 3.531 20 10 EHCDMN C[C@@H]1C[C@H](NCc2ccc(OCc3ccccc3)cc2O)c2nccn21 ZINC000825016907 1137162048 /nfs/dbraw/zinc/16/20/48/1137162048.db2.gz IWYCDXXFSSWIGZ-BEFAXECRSA-N 0 1 349.434 3.963 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1Cl ZINC000825083503 1137164857 /nfs/dbraw/zinc/16/48/57/1137164857.db2.gz FKUBDIHTCIKIOC-MRXNPFEDSA-N 0 1 326.223 3.831 20 10 EHCDMN COc1cc(Br)cc(CNc2ccc3c(n2)CCC3)c1O ZINC000825123831 1137166516 /nfs/dbraw/zinc/16/65/16/1137166516.db2.gz CUZUUGSUWRRONA-UHFFFAOYSA-N 0 1 349.228 3.659 20 10 EHCDMN CC(=O)Nc1ccc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825234124 1137170112 /nfs/dbraw/zinc/17/01/12/1137170112.db2.gz MNINLCQNVPBEMD-UHFFFAOYSA-N 0 1 332.831 3.645 20 10 EHCDMN Cc1cc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)c(C)n1-c1ccccc1 ZINC000863165944 1137172348 /nfs/dbraw/zinc/17/23/48/1137172348.db2.gz QJMWDBBIYSEAQN-GOSISDBHSA-N 0 1 348.450 3.554 20 10 EHCDMN CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825327719 1137173004 /nfs/dbraw/zinc/17/30/04/1137173004.db2.gz ZMGPANCPZGRKSR-RXSFTSLZSA-N 0 1 329.893 3.523 20 10 EHCDMN CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000825412399 1137177022 /nfs/dbraw/zinc/17/70/22/1137177022.db2.gz JDHDRJZWGKJKGF-CABCVRRESA-N 0 1 342.277 3.838 20 10 EHCDMN CN(C)c1ccc(CNCc2c(F)cccc2N2CCCC2)cc1F ZINC000119757555 1137209485 /nfs/dbraw/zinc/20/94/85/1137209485.db2.gz GXGCBTXRWKZFRR-UHFFFAOYSA-N 0 1 345.437 3.921 20 10 EHCDMN CC[N@@H+](Cc1ccccn1)Cc1cc(Br)c(F)cc1[O-] ZINC001144306499 1137270751 /nfs/dbraw/zinc/27/07/51/1137270751.db2.gz DPCALJUUBNXSJO-UHFFFAOYSA-N 0 1 339.208 3.711 20 10 EHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001144306647 1137270803 /nfs/dbraw/zinc/27/08/03/1137270803.db2.gz KVFMTHZBEDNZLO-MRVPVSSYSA-N 0 1 342.130 3.678 20 10 EHCDMN C[C@H](O)[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846012605 1137325635 /nfs/dbraw/zinc/32/56/35/1137325635.db2.gz GABNXVVHXHZKDE-XVYOSBPZSA-N 0 1 328.431 3.617 20 10 EHCDMN C[C@H](O)[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846012607 1137325644 /nfs/dbraw/zinc/32/56/44/1137325644.db2.gz GABNXVVHXHZKDE-ZEGWDFLXSA-N 0 1 328.431 3.617 20 10 EHCDMN C[C@H](N[C@H](Cc1ccccc1)c1nccn1C)c1cc(F)ccc1O ZINC000846208199 1137339682 /nfs/dbraw/zinc/33/96/82/1137339682.db2.gz WVUJATXTCDXMAH-KBXCAEBGSA-N 0 1 339.414 3.899 20 10 EHCDMN Cc1cc(C[N@H+](CCC(=O)[O-])CC(C)C)ccc1N1CCCCC1 ZINC000846263910 1137344391 /nfs/dbraw/zinc/34/43/91/1137344391.db2.gz JIABNRGFYLZTHB-UHFFFAOYSA-N 0 1 332.488 3.918 20 10 EHCDMN C[C@@H](NCC(=O)NC1CCCC1)c1ccc(N2CCCCC2)c(F)c1 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C[C@H](NCc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1O ZINC000271720869 1029138204 /nfs/dbraw/zinc/13/82/04/1029138204.db2.gz XSFSCSGESHCZJG-HNNXBMFYSA-N 0 1 333.435 3.917 20 10 EHCDMN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(Br)cc1[O-] ZINC000527926415 1031419418 /nfs/dbraw/zinc/41/94/18/1031419418.db2.gz KXRHCEGGPJTZCG-NWDGAFQWSA-N 0 1 328.250 3.622 20 10 EHCDMN Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000170267368 1031823606 /nfs/dbraw/zinc/82/36/06/1031823606.db2.gz BXEOHECPXWPKKR-UHFFFAOYSA-N 0 1 329.780 3.602 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCCOC1CCCCC1 ZINC000227435323 1034001184 /nfs/dbraw/zinc/00/11/84/1034001184.db2.gz DHZVRFFMTMCRAA-UHFFFAOYSA-N 0 1 342.277 3.984 20 10 EHCDMN CC(C)(C)c1ncc2c(n1)CCN(Cc1cc(Cl)c(F)cc1O)C2 ZINC000529639618 1034330247 /nfs/dbraw/zinc/33/02/47/1034330247.db2.gz PGINWTNEDSFXKH-UHFFFAOYSA-N 0 1 349.837 3.831 20 10 EHCDMN Cc1nc(CNCc2ccc(N3CCSCC3)cc2)sc1C ZINC000892613469 1036660576 /nfs/dbraw/zinc/66/05/76/1036660576.db2.gz UENRXVZGZDIQJS-UHFFFAOYSA-N 0 1 333.526 3.603 20 10 EHCDMN COc1cc(C)cc(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1O ZINC000164204607 1041220424 /nfs/dbraw/zinc/22/04/24/1041220424.db2.gz MPZZYCSCLLERPF-KXBFYZLASA-N 0 1 327.424 3.671 20 10 EHCDMN Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691442431 1132988250 /nfs/dbraw/zinc/98/82/50/1132988250.db2.gz DKHRMCIDYMZMAA-QMMMGPOBSA-N 0 1 325.206 3.610 20 10 EHCDMN CC[C@@H](N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccccc1O ZINC000279473939 1044117399 /nfs/dbraw/zinc/11/73/99/1044117399.db2.gz KEHFSZAKEPHMPT-UKRRQHHQSA-N 0 1 337.427 3.683 20 10 EHCDMN COCC(C)(C)CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000808428649 1135674215 /nfs/dbraw/zinc/67/42/15/1135674215.db2.gz KEINYHHUUQTQCV-UHFFFAOYSA-N 0 1 330.266 3.697 20 10 EHCDMN CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1cc(Br)ccc1[O-] ZINC000186189092 1128080346 /nfs/dbraw/zinc/08/03/46/1128080346.db2.gz MJRGZWQWJXOSOO-ZFWWWQNUSA-N 0 1 330.266 3.602 20 10 EHCDMN COCCOc1cc(C)ccc1CNCc1ccc2c(c1)CCCO2 ZINC000921830012 1128795087 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[O-]c1ccc(F)cc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000763480901 1124031134 /nfs/dbraw/zinc/03/11/34/1124031134.db2.gz GLODDVQUKVSMFV-UXHICEINSA-N 0 1 347.405 3.534 20 10 EHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)CC2)c(Br)c1 ZINC001237065378 1125260629 /nfs/dbraw/zinc/26/06/29/1125260629.db2.gz NUFKCBOBGYWHJI-NSHDSACASA-N 0 1 328.250 3.785 20 10 EHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)CC2)c(Br)c1 ZINC001237065378 1125260633 /nfs/dbraw/zinc/26/06/33/1125260633.db2.gz NUFKCBOBGYWHJI-NSHDSACASA-N 0 1 328.250 3.785 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000706807833 1131350312 /nfs/dbraw/zinc/35/03/12/1131350312.db2.gz HVZYURBRHWTEAC-GFCCVEGCSA-N 0 1 340.261 3.736 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000922881793 1129703817 /nfs/dbraw/zinc/70/38/17/1129703817.db2.gz RRNLZHNDVXMZHM-AWEZNQCLSA-N 0 1 333.229 3.717 20 10 EHCDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H]1CCN(C2CC2)C1 ZINC000732190066 1130892402 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CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000824644431 1137145772 /nfs/dbraw/zinc/14/57/72/1137145772.db2.gz PIHHZEXYSBJAEO-GMXVVIOVSA-N 0 1 341.320 3.856 20 10 EHCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862485570 1137146750 /nfs/dbraw/zinc/14/67/50/1137146750.db2.gz PSDKDLCYMLIVKU-GXTWGEPZSA-N 0 1 339.863 3.845 20 10 EHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](CO)c1ccccc1 ZINC000824696501 1137148828 /nfs/dbraw/zinc/14/88/28/1137148828.db2.gz NQGQJXZWELCDAA-OAHLLOKOSA-N 0 1 326.223 3.864 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824695773 1137148912 /nfs/dbraw/zinc/14/89/12/1137148912.db2.gz CMKOYSFRCFEWPG-WQVCFCJDSA-N 0 1 327.827 3.700 20 10 EHCDMN Cc1cc(O)c(CN(C)Cc2ccc([S@](C)=O)cc2)cc1Cl ZINC000824877068 1137156936 /nfs/dbraw/zinc/15/69/36/1137156936.db2.gz IVASOZFTIZGXOR-QFIPXVFZSA-N 0 1 337.872 3.723 20 10 EHCDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)[C@H]1n1cccn1 ZINC000825118557 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ZINC000737068242 600944277 /nfs/dbraw/zinc/94/42/77/600944277.db2.gz HGNKPANKSHYRQJ-UHFFFAOYSA-N 0 1 326.440 3.620 20 10 EHCDMN CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c1 ZINC001591973613 976578529 /nfs/dbraw/zinc/57/85/29/976578529.db2.gz DKJAHYGWZIJNPK-UONOGXRCSA-N 0 1 345.361 3.601 20 10 EHCDMN CS[C@H]1CC[C@H]([N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC001599788321 987963672 /nfs/dbraw/zinc/96/36/72/987963672.db2.gz SKVUMGLKQLZNOQ-KBPBESRZSA-N 0 1 345.464 3.960 20 10 EHCDMN CCc1oc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC001597796782 989356102 /nfs/dbraw/zinc/35/61/02/989356102.db2.gz RTMWLWGPBGAAME-UHFFFAOYSA-N 0 1 330.428 3.628 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](C[C@H]2CCCC[C@H]2C(=O)[O-])C2CC2)cc1 ZINC001598317238 991301042 /nfs/dbraw/zinc/30/10/42/991301042.db2.gz BTXPLOKDULGCDM-VQIMIIECSA-N 0 1 330.472 3.608 20 10 EHCDMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001593724104 996262117 /nfs/dbraw/zinc/26/21/17/996262117.db2.gz CFYISKSQQMBGGA-CQSZACIVSA-N 0 1 343.427 3.556 20 10 EHCDMN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001593724104 996262123 /nfs/dbraw/zinc/26/21/23/996262123.db2.gz CFYISKSQQMBGGA-CQSZACIVSA-N 0 1 343.427 3.556 20 10 EHCDMN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000181271612 1016919955 /nfs/dbraw/zinc/91/99/55/1016919955.db2.gz XVNVHWOZBFJNSA-OAHLLOKOSA-N 0 1 326.440 3.599 20 10 EHCDMN C[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(Br)cc1[O-] ZINC000834885109 1021039885 /nfs/dbraw/zinc/03/98/85/1021039885.db2.gz GPABGOLDLYQAGO-NSHDSACASA-N 0 1 346.240 3.572 20 10 EHCDMN CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC(C)(C)O ZINC000255326965 1021114934 /nfs/dbraw/zinc/11/49/34/1021114934.db2.gz ZTVGANUUUXWBPD-UHFFFAOYSA-N 0 1 340.427 3.743 20 10 EHCDMN Cc1cccn2cc(CNCc3ccc(N4CCCCC4)cc3)nc12 ZINC000076895317 1021327868 /nfs/dbraw/zinc/32/78/68/1021327868.db2.gz VGGLISJWLZNKDA-UHFFFAOYSA-N 0 1 334.467 3.923 20 10 EHCDMN COCCC1(C)C[NH+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894980644 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CC1(C)C[C@@H](O)c2cccc(NCc3ccc(F)c(F)c3O)c2O1 ZINC000897132320 1026394771 /nfs/dbraw/zinc/39/47/71/1026394771.db2.gz LWMFXZSZEDFOMR-CQSZACIVSA-N 0 1 335.350 3.877 20 10 EHCDMN C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000192938692 1026648582 /nfs/dbraw/zinc/64/85/82/1026648582.db2.gz KSBKWACUPAINHK-WBVHZDCISA-N 0 1 329.440 3.782 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(Cl)ccc1[O-] ZINC000527999535 1031563090 /nfs/dbraw/zinc/56/30/90/1031563090.db2.gz BKMOOBZUIXXBEQ-ZBEGNZNMSA-N 0 1 330.815 3.523 20 10 EHCDMN COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142534647 1033344024 /nfs/dbraw/zinc/34/40/24/1033344024.db2.gz QRSFRKXUNDJGEQ-KRWDZBQOSA-N 0 1 347.361 3.794 20 10 EHCDMN CC[C@](C)(NCc1ccc(N2CCOCC2)cc1)c1nc(C)cs1 ZINC000174498111 1033959638 /nfs/dbraw/zinc/95/96/38/1033959638.db2.gz HTGKSIAVEYQSKK-IBGZPJMESA-N 0 1 345.512 3.703 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@@H]1CCCOC1 ZINC000757636931 1034148738 /nfs/dbraw/zinc/14/87/38/1034148738.db2.gz LCUMBASYKQZTCF-GRYCIOLGSA-N 0 1 328.250 3.620 20 10 EHCDMN COc1cc(Cl)cc(CN2CCN(c3ccc(C)cc3)CC2)c1O ZINC000761214534 1034560061 /nfs/dbraw/zinc/56/00/61/1034560061.db2.gz GLQWVEMZAJBYRS-UHFFFAOYSA-N 0 1 346.858 3.685 20 10 EHCDMN Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)[nH]1 ZINC000271264164 1037772966 /nfs/dbraw/zinc/77/29/66/1037772966.db2.gz HYBVPQZLXKPPPW-SNVBAGLBSA-N 0 1 341.242 3.505 20 10 EHCDMN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000271264164 1037772997 /nfs/dbraw/zinc/77/29/97/1037772997.db2.gz HYBVPQZLXKPPPW-SNVBAGLBSA-N 0 1 341.242 3.505 20 10 EHCDMN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000271264164 1037773011 /nfs/dbraw/zinc/77/30/11/1037773011.db2.gz HYBVPQZLXKPPPW-SNVBAGLBSA-N 0 1 341.242 3.505 20 10 EHCDMN Cc1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n[nH]1 ZINC000271264164 1037773023 /nfs/dbraw/zinc/77/30/23/1037773023.db2.gz HYBVPQZLXKPPPW-SNVBAGLBSA-N 0 1 341.242 3.505 20 10 EHCDMN Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n[nH]1 ZINC000271264164 1037773034 /nfs/dbraw/zinc/77/30/34/1037773034.db2.gz HYBVPQZLXKPPPW-SNVBAGLBSA-N 0 1 341.242 3.505 20 10 EHCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000893866588 1039770189 /nfs/dbraw/zinc/77/01/89/1039770189.db2.gz PRJCOIBUSAUZKA-AWEZNQCLSA-N 0 1 339.208 3.959 20 10 EHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000893866588 1039770209 /nfs/dbraw/zinc/77/02/09/1039770209.db2.gz PRJCOIBUSAUZKA-AWEZNQCLSA-N 0 1 339.208 3.959 20 10 EHCDMN CCOCc1nc(C)cc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000893868501 1039773144 /nfs/dbraw/zinc/77/31/44/1039773144.db2.gz ZLLDHTUBJMCIGM-UHFFFAOYSA-N 0 1 342.226 3.946 20 10 EHCDMN CC[C@H]([NH2+]CCCCCCO)c1cc(Br)ccc1[O-] ZINC000157042432 1040575091 /nfs/dbraw/zinc/57/50/91/1040575091.db2.gz OKUPCLDZMNRDDW-AWEZNQCLSA-N 0 1 330.266 3.748 20 10 EHCDMN CCc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 ZINC000760656718 1041127682 /nfs/dbraw/zinc/12/76/82/1041127682.db2.gz KYJYXAMXYRUOGC-HUUCEWRRSA-N 0 1 346.446 3.885 20 10 EHCDMN CCOC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000194741524 1041319384 /nfs/dbraw/zinc/31/93/84/1041319384.db2.gz XJAXXVKGSMLLME-MRXNPFEDSA-N 0 1 337.778 3.579 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)CN(C)C(C)C)c1cc(Br)ccc1[O-] ZINC000312852602 1041586029 /nfs/dbraw/zinc/58/60/29/1041586029.db2.gz GLMMXKCXYIHXBB-WFASDCNBSA-N 0 1 343.309 3.924 20 10 EHCDMN COc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1F ZINC000182032705 1043108703 /nfs/dbraw/zinc/10/87/03/1043108703.db2.gz MSTHEMXCJCQPQG-SNVBAGLBSA-N 0 1 335.350 3.732 20 10 EHCDMN CC[C@@H](N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccccc1O ZINC000279473925 1044117339 /nfs/dbraw/zinc/11/73/39/1044117339.db2.gz KEHFSZAKEPHMPT-DZGCQCFKSA-N 0 1 337.427 3.683 20 10 EHCDMN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185419248 1126890205 /nfs/dbraw/zinc/89/02/05/1126890205.db2.gz REKXFCSPVSXFCK-VBKZILBWSA-N 0 1 337.419 3.938 20 10 EHCDMN CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185522442 1126916142 /nfs/dbraw/zinc/91/61/42/1126916142.db2.gz PBDIHIJPWARFBC-OAHLLOKOSA-N 0 1 348.446 3.798 20 10 EHCDMN O=C(Nc1ccc2nc(C3CC3)sc2c1)c1c(F)ccc(O)c1O ZINC000764461792 1127496503 /nfs/dbraw/zinc/49/65/03/1127496503.db2.gz ISIGQECNUOGRBS-UHFFFAOYSA-N 0 1 344.367 3.976 20 10 EHCDMN C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1ccccc1O ZINC001648889786 1120061201 /nfs/dbraw/zinc/06/12/01/1120061201.db2.gz LTYAJEJDKWSTGI-SECBINFHSA-N 0 1 347.827 3.988 20 10 EHCDMN CCCN(CC[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC000227660500 1120155819 /nfs/dbraw/zinc/15/58/19/1120155819.db2.gz IQJXODFLQSJCHU-UHFFFAOYSA-N 0 1 342.867 3.782 20 10 EHCDMN CN(C)c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000227435121 1120882656 /nfs/dbraw/zinc/88/26/56/1120882656.db2.gz FOUGTCALSJNWBJ-UHFFFAOYSA-N 0 1 335.245 3.511 20 10 EHCDMN COc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)ccn1 ZINC000762917089 1121521832 /nfs/dbraw/zinc/52/18/32/1121521832.db2.gz KPCULGDPDOQPTK-UHFFFAOYSA-N 0 1 325.456 3.713 20 10 EHCDMN CCN(CC)c1ccc(CNC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000918111450 1122750894 /nfs/dbraw/zinc/75/08/94/1122750894.db2.gz NBPFITUTFIWBFI-UHFFFAOYSA-N 0 1 332.831 3.822 20 10 EHCDMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181267525 1124692952 /nfs/dbraw/zinc/69/29/52/1124692952.db2.gz JECDJNUBXMAAAI-QHHAFSJGSA-N 0 1 345.305 3.564 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2csc(-c3ccoc3)n2)c1 ZINC000182434464 1125289828 /nfs/dbraw/zinc/28/98/28/1125289828.db2.gz YPLATNIGIQSQDW-NSHDSACASA-N 0 1 330.409 3.968 20 10 EHCDMN Cc1nn(-c2ccncc2)cc1CN(C)c1ccc(OC(C)C)cc1 ZINC000763546642 1125329122 /nfs/dbraw/zinc/32/91/22/1125329122.db2.gz SNBCVTYNOLBORF-UHFFFAOYSA-N 0 1 336.439 3.999 20 10 EHCDMN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3c([O-])cc(C)cc3Cl)C2)n1 ZINC000922869094 1129694896 /nfs/dbraw/zinc/69/48/96/1129694896.db2.gz NWSAPILJYNBAHY-NEPJUHHUSA-N 0 1 335.835 3.725 20 10 EHCDMN CCc1ccc(N2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)cc1 ZINC000743395629 1131910301 /nfs/dbraw/zinc/91/03/01/1131910301.db2.gz XIBUDJXFGAPZBF-UHFFFAOYSA-N 0 1 347.462 3.825 20 10 EHCDMN CN(Cc1cnn(-c2ccccc2)c1)Cc1cc(Cl)ccc1O ZINC000768209099 1133108874 /nfs/dbraw/zinc/10/88/74/1133108874.db2.gz ZIUFNKRQNOEPJK-UHFFFAOYSA-N 0 1 327.815 3.863 20 10 EHCDMN CC(C)C[N@H+](CCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440626 1133139421 /nfs/dbraw/zinc/13/94/21/1133139421.db2.gz RPGDPGIHTRQGEW-HXUWFJFHSA-N 0 1 341.451 3.519 20 10 EHCDMN CC(C)C[N@@H+](CCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440626 1133139424 /nfs/dbraw/zinc/13/94/24/1133139424.db2.gz RPGDPGIHTRQGEW-HXUWFJFHSA-N 0 1 341.451 3.519 20 10 EHCDMN COc1cc(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)c(O)cc1C ZINC000768465296 1133144232 /nfs/dbraw/zinc/14/42/32/1133144232.db2.gz FRRHYRIICPYGLS-KKSFZXQISA-N 0 1 341.451 3.980 20 10 EHCDMN CCCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768910874 1133202354 /nfs/dbraw/zinc/20/23/54/1133202354.db2.gz AUAMBZJOJNFNOC-MRXNPFEDSA-N 0 1 338.879 3.707 20 10 EHCDMN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000769035835 1133216738 /nfs/dbraw/zinc/21/67/38/1133216738.db2.gz WWOLTIJHCLZOTJ-KRWDZBQOSA-N 0 1 347.459 3.586 20 10 EHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+](CCO)C1CCCC1 ZINC001180488293 1133375852 /nfs/dbraw/zinc/37/58/52/1133375852.db2.gz HIXGQVDZLAOZQE-UHFFFAOYSA-N 0 1 348.668 3.545 20 10 EHCDMN CCCN(CC[NH+]1CCCCC1)Cc1c(O)ccc(Cl)c1F ZINC001181686133 1133508107 /nfs/dbraw/zinc/50/81/07/1133508107.db2.gz GAMNSRDMNASSHY-UHFFFAOYSA-N 0 1 328.859 3.883 20 10 EHCDMN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001182450833 1133671057 /nfs/dbraw/zinc/67/10/57/1133671057.db2.gz ADCKOCGEYBVQFV-GXTWGEPZSA-N 0 1 339.863 3.988 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000774828381 1134027774 /nfs/dbraw/zinc/02/77/74/1134027774.db2.gz ZMRZDTNMISFCEI-INIZCTEOSA-N 0 1 342.395 3.516 20 10 EHCDMN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774883644 1134090715 /nfs/dbraw/zinc/09/07/15/1134090715.db2.gz HNNLGUGPQDNKQJ-MRXNPFEDSA-N 0 1 342.395 3.818 20 10 EHCDMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774883644 1134090721 /nfs/dbraw/zinc/09/07/21/1134090721.db2.gz HNNLGUGPQDNKQJ-MRXNPFEDSA-N 0 1 342.395 3.818 20 10 EHCDMN C[C@@]12CC[N@H+](Cc3c([O-])ccc4ccncc43)C[C@@H]1C2(Cl)Cl ZINC000789479594 1134289988 /nfs/dbraw/zinc/28/99/88/1134289988.db2.gz LKKYYOQNMHHQRM-JKSUJKDBSA-N 0 1 337.250 3.956 20 10 EHCDMN C[C@@]12CC[N@@H+](Cc3c([O-])ccc4ccncc43)C[C@@H]1C2(Cl)Cl ZINC000789479594 1134289993 /nfs/dbraw/zinc/28/99/93/1134289993.db2.gz LKKYYOQNMHHQRM-JKSUJKDBSA-N 0 1 337.250 3.956 20 10 EHCDMN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1c(F)ccc(O)c1O ZINC000789964102 1134352479 /nfs/dbraw/zinc/35/24/79/1134352479.db2.gz SUOZBHMDLDGIPD-UHFFFAOYSA-N 0 1 333.212 3.647 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000775193599 1134502389 /nfs/dbraw/zinc/50/23/89/1134502389.db2.gz RNXFGOJCKBFVBC-UHFFFAOYSA-N 0 1 345.870 3.863 20 10 EHCDMN CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000775203481 1134512760 /nfs/dbraw/zinc/51/27/60/1134512760.db2.gz LDEJQETZEVIPLV-INIZCTEOSA-N 0 1 342.277 3.936 20 10 EHCDMN COCC[N@@H+](Cc1cccs1)Cc1c([O-])ccc(Cl)c1F ZINC000792156730 1134658824 /nfs/dbraw/zinc/65/88/24/1134658824.db2.gz MDDOZGUPTPFHTE-UHFFFAOYSA-N 0 1 329.824 3.895 20 10 EHCDMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(Br)ccc1O ZINC000793230315 1134880220 /nfs/dbraw/zinc/88/02/20/1134880220.db2.gz FWCWPGADICJRNB-KWQFWETISA-N 0 1 338.167 3.927 20 10 EHCDMN O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cc(O)c(O)c(Cl)c1 ZINC001193633846 1135162531 /nfs/dbraw/zinc/16/25/31/1135162531.db2.gz IVHJMUDSVOFAII-ZDUSSCGKSA-N 0 1 345.704 3.785 20 10 EHCDMN COc1nc(NC(=O)c2cc(O)c(O)c(Cl)c2)cc2ccccc21 ZINC001193606287 1135165911 /nfs/dbraw/zinc/16/59/11/1135165911.db2.gz ZWQVQVYUKCSASP-UHFFFAOYSA-N 0 1 344.754 3.560 20 10 EHCDMN CC[C@H](CSC)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805258092 1135253983 /nfs/dbraw/zinc/25/39/83/1135253983.db2.gz CSSKOMXYHREXQO-SNVBAGLBSA-N 0 1 337.272 3.640 20 10 EHCDMN CC(C)n1nccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806142656 1135399691 /nfs/dbraw/zinc/39/96/91/1135399691.db2.gz FYQALDYHHAJUDA-UHFFFAOYSA-N 0 1 343.214 3.798 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000775653767 1135418656 /nfs/dbraw/zinc/41/86/56/1135418656.db2.gz BGCYJZPVYZJXFN-LLVKDONJSA-N 0 1 341.732 3.728 20 10 EHCDMN CCc1noc(C)c1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806368225 1135436037 /nfs/dbraw/zinc/43/60/37/1135436037.db2.gz VLXLBYCMQQKMNT-UHFFFAOYSA-N 0 1 344.198 3.880 20 10 EHCDMN C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)n1cccc1 ZINC000807841002 1135576125 /nfs/dbraw/zinc/57/61/25/1135576125.db2.gz PLALHTMMFKXILP-SNVBAGLBSA-N 0 1 327.211 3.768 20 10 EHCDMN CCNc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 ZINC000807837522 1135579999 /nfs/dbraw/zinc/57/99/99/1135579999.db2.gz SYYGXKGVUPCABK-UHFFFAOYSA-N 0 1 346.239 3.517 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2[nH]cnc2c1 ZINC000807838740 1135581141 /nfs/dbraw/zinc/58/11/41/1135581141.db2.gz QZIMJOCZZDOWSK-UHFFFAOYSA-N 0 1 336.178 3.505 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1csc(C2CC2)n1 ZINC000807839601 1135581249 /nfs/dbraw/zinc/58/12/49/1135581249.db2.gz PTJNGGICOKAVRN-UHFFFAOYSA-N 0 1 343.235 3.963 20 10 EHCDMN C[C@@H]1CC[C@@H](CCC(=O)NCc2cc(Cl)cc(Cl)c2O)O1 ZINC000807839203 1135581664 /nfs/dbraw/zinc/58/16/64/1135581664.db2.gz YWCVXXZEXMVFRD-SKDRFNHKSA-N 0 1 332.227 3.663 20 10 EHCDMN CCOC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000808088860 1135616104 /nfs/dbraw/zinc/61/61/04/1135616104.db2.gz DYOYAMSUZAOGHN-UHFFFAOYSA-N 0 1 341.194 3.883 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1nccnc1OC(F)F ZINC000808090207 1135616704 /nfs/dbraw/zinc/61/67/04/1135616704.db2.gz TXMNOSWPWULNLL-UHFFFAOYSA-N 0 1 336.125 3.703 20 10 EHCDMN C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000808443822 1135668071 /nfs/dbraw/zinc/66/80/71/1135668071.db2.gz HMJDMJNKZANOIS-QLJPJBMISA-N 0 1 334.213 3.767 20 10 EHCDMN COc1ccccc1[C@H](CO)N[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808707496 1135717221 /nfs/dbraw/zinc/71/72/21/1135717221.db2.gz QGYXWYZLDQPSSF-LRDDRELGSA-N 0 1 335.831 3.747 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)c1O ZINC001198685311 1135847334 /nfs/dbraw/zinc/84/73/34/1135847334.db2.gz IVEITPHYZNVYJI-IAGOWNOFSA-N 0 1 337.847 3.782 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC001198685311 1135847340 /nfs/dbraw/zinc/84/73/40/1135847340.db2.gz IVEITPHYZNVYJI-IAGOWNOFSA-N 0 1 337.847 3.782 20 10 EHCDMN CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000809713538 1135876507 /nfs/dbraw/zinc/87/65/07/1135876507.db2.gz SLLMLNQPCFQAPM-LRDDRELGSA-N 0 1 342.277 3.696 20 10 EHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791107 1135893251 /nfs/dbraw/zinc/89/32/51/1135893251.db2.gz UGVLWTUDWOEPMH-IBGZPJMESA-N 0 1 349.833 3.612 20 10 EHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791107 1135893254 /nfs/dbraw/zinc/89/32/54/1135893254.db2.gz UGVLWTUDWOEPMH-IBGZPJMESA-N 0 1 349.833 3.612 20 10 EHCDMN CN(C)c1ccc(CNCc2cc(O)cc(C(F)(F)F)c2)cc1F ZINC000810138286 1135926523 /nfs/dbraw/zinc/92/65/23/1135926523.db2.gz OXIGGJGJIQZLBQ-UHFFFAOYSA-N 0 1 342.336 3.906 20 10 EHCDMN CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228725 1135941409 /nfs/dbraw/zinc/94/14/09/1135941409.db2.gz KDXHUFWOPZPRRN-GXSJLCMTSA-N 0 1 345.283 3.765 20 10 EHCDMN CC[C@@H](C)NC(=O)CC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212009 1135943789 /nfs/dbraw/zinc/94/37/89/1135943789.db2.gz KPIRJPZGLFSOSC-BXUZGUMPSA-N 0 1 346.393 3.757 20 10 EHCDMN CC[C@@H]([NH2+]CCOCC(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237255 1135946152 /nfs/dbraw/zinc/94/61/52/1135946152.db2.gz AQIGMDMDCQCFMW-LLVKDONJSA-N 0 1 327.293 3.733 20 10 EHCDMN CC[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238941 1135946420 /nfs/dbraw/zinc/94/64/20/1135946420.db2.gz PNNXPUJHGBGPSF-CQSZACIVSA-N 0 1 330.394 3.936 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518483 1136098450 /nfs/dbraw/zinc/09/84/50/1136098450.db2.gz LQBOLCROBGGWOA-ZBFHGGJFSA-N 0 1 325.811 3.718 20 10 EHCDMN CC1(C)C[N@@H+](Cc2cccc(Br)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000811511099 1136102167 /nfs/dbraw/zinc/10/21/67/1136102167.db2.gz VAGZIJFNISCILU-DZGCQCFKSA-N 0 1 340.261 3.544 20 10 EHCDMN CCN(CC)c1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1F ZINC000850370842 1136243385 /nfs/dbraw/zinc/24/33/85/1136243385.db2.gz FZZZTSHGEYAXTD-ICSRJNTNSA-N 0 1 328.431 3.940 20 10 EHCDMN COc1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1C ZINC000850416288 1136254109 /nfs/dbraw/zinc/25/41/09/1136254109.db2.gz GAXGDOBGQXCPOK-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000850495879 1136271590 /nfs/dbraw/zinc/27/15/90/1136271590.db2.gz KIMYIPGLJKPMFK-RULNZOCKSA-N 0 1 345.386 3.507 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Br)ccc1[O-] ZINC000850545171 1136282517 /nfs/dbraw/zinc/28/25/17/1136282517.db2.gz MMYZAWZBFIASHL-SWLSCSKDSA-N 0 1 342.277 3.604 20 10 EHCDMN Cc1ccc(/C=C/C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000813682393 1136356209 /nfs/dbraw/zinc/35/62/09/1136356209.db2.gz CTHLLJZGJKBPDS-SNAWJCMRSA-N 0 1 337.206 3.732 20 10 EHCDMN CO[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCC1 ZINC000854473636 1136619119 /nfs/dbraw/zinc/61/91/19/1136619119.db2.gz CCMSYPUQRPANEE-CQSZACIVSA-N 0 1 332.227 3.520 20 10 EHCDMN Cc1cc(C(=O)N(C)Cc2cnc[nH]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000855134588 1136671379 /nfs/dbraw/zinc/67/13/79/1136671379.db2.gz UAEMVYRRZKQQDS-UHFFFAOYSA-N 0 1 336.439 3.706 20 10 EHCDMN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816565380 1136737187 /nfs/dbraw/zinc/73/71/87/1136737187.db2.gz NFADQYBZZZYYHR-GFCCVEGCSA-N 0 1 343.826 3.596 20 10 EHCDMN CCC1(CC)CN(Cc2ccc3ccccc3c2O)CC[S@@]1=O ZINC000816570898 1136738872 /nfs/dbraw/zinc/73/88/72/1136738872.db2.gz KPPREWREFIJKIF-QHCPKHFHSA-N 0 1 331.481 3.669 20 10 EHCDMN [O-]c1c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc2ccccc12 ZINC000816609321 1136740825 /nfs/dbraw/zinc/74/08/25/1136740825.db2.gz XTBVSJRTMNMZQD-KRWDZBQOSA-N 0 1 339.357 3.825 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc2ccccc12 ZINC000816609321 1136740827 /nfs/dbraw/zinc/74/08/27/1136740827.db2.gz XTBVSJRTMNMZQD-KRWDZBQOSA-N 0 1 339.357 3.825 20 10 EHCDMN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccncc1 ZINC000816622027 1136742299 /nfs/dbraw/zinc/74/22/99/1136742299.db2.gz VJPZXNNSGRUUOR-FQEVSTJZSA-N 0 1 337.467 3.501 20 10 EHCDMN c1cc(N2CCCCC2)ccc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666320 1136747306 /nfs/dbraw/zinc/74/73/06/1136747306.db2.gz KGFAZMIHUHQQMS-SFTDATJTSA-N 0 1 326.484 3.820 20 10 EHCDMN CO[C@H]1CCCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000816682406 1136748263 /nfs/dbraw/zinc/74/82/63/1136748263.db2.gz XCOUKAWLUKJYIY-YPMHNXCESA-N 0 1 332.227 3.520 20 10 EHCDMN CO[C@@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000816682017 1136748430 /nfs/dbraw/zinc/74/84/30/1136748430.db2.gz MPEKMVPDEYTRDG-JOYOIKCWSA-N 0 1 332.227 3.520 20 10 EHCDMN CC[C@H](NC[C@@]1(COC)CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817975884 1136854416 /nfs/dbraw/zinc/85/44/16/1136854416.db2.gz ZEXNUDDSEDOFFO-XJKSGUPXSA-N 0 1 347.286 3.508 20 10 EHCDMN CC[C@H]([NH2+]C[C@@]1(COC)CCCN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817975884 1136854419 /nfs/dbraw/zinc/85/44/19/1136854419.db2.gz ZEXNUDDSEDOFFO-XJKSGUPXSA-N 0 1 347.286 3.508 20 10 EHCDMN Cc1cc(Cl)cc([C@@H](C)N[C@H]2c3ccccc3CN(C)C2=O)c1O ZINC000857877425 1136917218 /nfs/dbraw/zinc/91/72/18/1136917218.db2.gz OETOZKOQMOLILJ-PXAZEXFGSA-N 0 1 344.842 3.718 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc2ccccc2c1[O-] ZINC000858478941 1136971798 /nfs/dbraw/zinc/97/17/98/1136971798.db2.gz FNCBTZZPSKIDTG-UKRRQHHQSA-N 0 1 334.410 3.926 20 10 EHCDMN C[C@@H](N[C@@H](C)c1ccns1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858578051 1136980187 /nfs/dbraw/zinc/98/01/87/1136980187.db2.gz MJPJTTBNMZEGNC-OLZOCXBDSA-N 0 1 335.448 3.531 20 10 EHCDMN Cc1ccc(F)c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000116915075 1137026686 /nfs/dbraw/zinc/02/66/86/1137026686.db2.gz QZNWTWVHFYTZLC-MRXNPFEDSA-N 0 1 328.431 3.822 20 10 EHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCO[C@@H](C2CC2)C1 ZINC000777220613 1137122222 /nfs/dbraw/zinc/12/22/22/1137122222.db2.gz GGDGPRHKMUQDHR-OAQYLSRUSA-N 0 1 339.435 3.582 20 10 EHCDMN CCC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000862023889 1137127348 /nfs/dbraw/zinc/12/73/48/1137127348.db2.gz KDJMAHOQZXSORT-DLBZAZTESA-N 0 1 333.520 3.658 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000862402778 1137142758 /nfs/dbraw/zinc/14/27/58/1137142758.db2.gz RKYGQFJUUYGUCE-ZDUSSCGKSA-N 0 1 340.261 3.688 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000862402778 1137142759 /nfs/dbraw/zinc/14/27/59/1137142759.db2.gz RKYGQFJUUYGUCE-ZDUSSCGKSA-N 0 1 340.261 3.688 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825046802 1137163108 /nfs/dbraw/zinc/16/31/08/1137163108.db2.gz XWOMDHSTSYJFKV-XHDPSFHLSA-N 0 1 341.377 3.816 20 10 EHCDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)[C@H]1n1cccn1 ZINC000825118560 1137166527 /nfs/dbraw/zinc/16/65/27/1137166527.db2.gz ULYXPBFSDVWXFK-USXIJHARSA-N 0 1 349.862 3.529 20 10 EHCDMN Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825267154 1137171125 /nfs/dbraw/zinc/17/11/25/1137171125.db2.gz RILGFNXUBNEXIX-UHFFFAOYSA-N 0 1 349.272 3.819 20 10 EHCDMN Cc1cnc(C(C)(C)[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000825332014 1137173052 /nfs/dbraw/zinc/17/30/52/1137173052.db2.gz UTIOFABSHRSLDO-UHFFFAOYSA-N 0 1 341.274 3.945 20 10 EHCDMN Cc1cnc(C(C)(C)NCc2ccc(Br)cc2O)s1 ZINC000825332014 1137173053 /nfs/dbraw/zinc/17/30/53/1137173053.db2.gz UTIOFABSHRSLDO-UHFFFAOYSA-N 0 1 341.274 3.945 20 10 EHCDMN COCCC1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCC1 ZINC000825336807 1137173433 /nfs/dbraw/zinc/17/34/33/1137173433.db2.gz FZLNRMHZVSJHBE-UHFFFAOYSA-N 0 1 342.277 3.841 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000825357672 1137174578 /nfs/dbraw/zinc/17/45/78/1137174578.db2.gz JIPFKWHALOXARQ-SWLSCSKDSA-N 0 1 342.277 3.576 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1Cl ZINC000825385062 1137176037 /nfs/dbraw/zinc/17/60/37/1137176037.db2.gz PLBZOYKZYDWLPV-VERVWZFWSA-N 0 1 337.872 3.942 20 10 EHCDMN COC[C@]1(C)C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000863339916 1137181533 /nfs/dbraw/zinc/18/15/33/1137181533.db2.gz GHICRSHNCCMNFH-FQEVSTJZSA-N 0 1 341.407 3.529 20 10 EHCDMN COC[C@]1(C)C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000863339916 1137181535 /nfs/dbraw/zinc/18/15/35/1137181535.db2.gz GHICRSHNCCMNFH-FQEVSTJZSA-N 0 1 341.407 3.529 20 10 EHCDMN COc1ccc(C2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)nc1 ZINC000844711521 1137247338 /nfs/dbraw/zinc/24/73/38/1137247338.db2.gz FRQVKSXUPJSFEY-UHFFFAOYSA-N 0 1 349.434 3.724 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000794827080 1137267606 /nfs/dbraw/zinc/26/76/06/1137267606.db2.gz HAXZLXWCCKLFQL-GOEBONIOSA-N 0 1 346.421 3.843 20 10 EHCDMN C[C@]1(F)CCN(Cc2cc(Br)c(F)cc2O)C[C@@H]1F ZINC001144298510 1137268442 /nfs/dbraw/zinc/26/84/42/1137268442.db2.gz FAURMTWAKQPJPG-STQMWFEESA-N 0 1 338.167 3.566 20 10 EHCDMN Cc1cc2c(cn1)CN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144306435 1137270616 /nfs/dbraw/zinc/27/06/16/1137270616.db2.gz BQPRXXVGMKRLAS-UHFFFAOYSA-N 0 1 337.192 3.513 20 10 EHCDMN CN(C)c1ccc(CN2CCC3(CC2)C(F)(F)C3(F)F)cc1F ZINC000846016420 1137326210 /nfs/dbraw/zinc/32/62/10/1137326210.db2.gz WMMPLWCYHCQJSX-UHFFFAOYSA-N 0 1 334.332 3.758 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000846118172 1137334202 /nfs/dbraw/zinc/33/42/02/1137334202.db2.gz UYCQDTXXAZPYPK-CYBMUJFWSA-N 0 1 332.188 3.694 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Br)ccc1[O-] ZINC000866631686 1137371404 /nfs/dbraw/zinc/37/14/04/1137371404.db2.gz CVFIOQAZPGGDML-GWCFXTLKSA-N 0 1 336.233 3.537 20 10 EHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(F)c1F ZINC000121942392 1137391080 /nfs/dbraw/zinc/39/10/80/1137391080.db2.gz QOPCLNMJMDIBSB-AWEZNQCLSA-N 0 1 332.394 3.652 20 10 EHCDMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000773105669 1137465601 /nfs/dbraw/zinc/46/56/01/1137465601.db2.gz ILAWMAGKDHFWLV-OCCSQVGLSA-N 0 1 348.384 3.780 20 10 EHCDMN CC[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000872113201 1137571912 /nfs/dbraw/zinc/57/19/12/1137571912.db2.gz NJKGDXMUEDCQBB-RISCZKNCSA-N 0 1 345.361 3.795 20 10 EHCDMN CCCOc1ccc(CN[C@@H](CC(=O)NC)c2ccccc2)cc1C ZINC000873119250 1137590665 /nfs/dbraw/zinc/59/06/65/1137590665.db2.gz DTLIREXMAOHYFW-IBGZPJMESA-N 0 1 340.467 3.751 20 10 EHCDMN CC(=O)N(c1ccc(NCc2ccc(F)c(F)c2O)cc1)C1CC1 ZINC000877552255 1137681036 /nfs/dbraw/zinc/68/10/36/1137681036.db2.gz ASTFQPVCNAYZNJ-UHFFFAOYSA-N 0 1 332.350 3.798 20 10 EHCDMN CC1(C)COc2cc(NCc3ccc(F)c(F)c3O)ccc2NC1=O ZINC000877703045 1137686349 /nfs/dbraw/zinc/68/63/49/1137686349.db2.gz PGEWZVDPCNVCKC-UHFFFAOYSA-N 0 1 348.349 3.640 20 10 EHCDMN Oc1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000826099639 1137740743 /nfs/dbraw/zinc/74/07/43/1137740743.db2.gz FRLDWYTXQIKPEM-OAHLLOKOSA-N 0 1 342.302 3.874 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000826099639 1137740744 /nfs/dbraw/zinc/74/07/44/1137740744.db2.gz FRLDWYTXQIKPEM-OAHLLOKOSA-N 0 1 342.302 3.874 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000826099639 1137740745 /nfs/dbraw/zinc/74/07/45/1137740745.db2.gz FRLDWYTXQIKPEM-OAHLLOKOSA-N 0 1 342.302 3.874 20 10 EHCDMN CCN(CC)C(=O)[C@H](N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000879649266 1137753589 /nfs/dbraw/zinc/75/35/89/1137753589.db2.gz OOPVWICULGKEDC-DNVCBOLYSA-N 0 1 326.440 3.653 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000883360976 1137857578 /nfs/dbraw/zinc/85/75/78/1137857578.db2.gz QCQJKUKHQSONKP-TVQRCGJNSA-N 0 1 349.299 3.755 20 10 EHCDMN Oc1ccccc1CN(Cc1ccc(Cl)nc1)C[C@H]1CCCO1 ZINC000072629256 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[O-]c1cccc(Cl)c1C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000266291237 1140663831 /nfs/dbraw/zinc/66/38/31/1140663831.db2.gz JWNMIJXTIIQQLT-UHFFFAOYSA-N 0 1 336.766 3.853 20 10 EHCDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccn1 ZINC000270881319 1141279219 /nfs/dbraw/zinc/27/92/19/1141279219.db2.gz FLRIVFUEWKEILJ-XHSDSOJGSA-N 0 1 343.446 3.685 20 10 EHCDMN CN(Cc1cn(C)nc1C(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000274447388 1141531152 /nfs/dbraw/zinc/53/11/52/1141531152.db2.gz DJJIDFSBEGVHCS-UHFFFAOYSA-N 0 1 348.441 3.980 20 10 EHCDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC000832239589 605904306 /nfs/dbraw/zinc/90/43/06/605904306.db2.gz LNBSVLMSBDTWAI-MQVJKMGUSA-N 0 1 340.423 3.699 20 10 EHCDMN CN(Cc1cccs1)c1ccc(C[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000844938183 969247631 /nfs/dbraw/zinc/24/76/31/969247631.db2.gz HDIDUCRBMOSNQX-UHFFFAOYSA-N 0 1 344.480 3.681 20 10 EHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595747689 982416072 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CCN(CC)c1ccc(CN(CCOC)Cc2scnc2C)cc1 ZINC000787308026 1133994002 /nfs/dbraw/zinc/99/40/02/1133994002.db2.gz CIUTVCXZEWSHSZ-UHFFFAOYSA-N 0 1 347.528 3.946 20 10 EHCDMN Cc1ncnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1C ZINC001185273446 1134060840 /nfs/dbraw/zinc/06/08/40/1134060840.db2.gz RVIVDCMUJZOVQV-INIZCTEOSA-N 0 1 346.862 3.529 20 10 EHCDMN Cc1ncnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1C ZINC001185273446 1134060846 /nfs/dbraw/zinc/06/08/46/1134060846.db2.gz RVIVDCMUJZOVQV-INIZCTEOSA-N 0 1 346.862 3.529 20 10 EHCDMN Cc1ncnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1C ZINC001185273446 1134060853 /nfs/dbraw/zinc/06/08/53/1134060853.db2.gz RVIVDCMUJZOVQV-INIZCTEOSA-N 0 1 346.862 3.529 20 10 EHCDMN CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775070044 1134283977 /nfs/dbraw/zinc/28/39/77/1134283977.db2.gz HDJPQOUKMSAVSO-INIZCTEOSA-N 0 1 342.395 3.646 20 10 EHCDMN CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775070044 1134283982 /nfs/dbraw/zinc/28/39/82/1134283982.db2.gz HDJPQOUKMSAVSO-INIZCTEOSA-N 0 1 342.395 3.646 20 10 EHCDMN O=C(Nc1ccc(Oc2ccncc2)cc1)c1c(F)ccc(O)c1O ZINC000789967680 1134353278 /nfs/dbraw/zinc/35/32/78/1134353278.db2.gz WMZRZBMLVIMNKF-UHFFFAOYSA-N 0 1 340.310 3.677 20 10 EHCDMN O=C(Nc1nc(Cc2ccccc2)cs1)c1c(F)ccc(O)c1O ZINC000789997816 1134356999 /nfs/dbraw/zinc/35/69/99/1134356999.db2.gz PMYWLUPNWDFVBK-UHFFFAOYSA-N 0 1 344.367 3.537 20 10 EHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000790408672 1134411870 /nfs/dbraw/zinc/41/18/70/1134411870.db2.gz FQVFACRLPBFQFI-UHFFFAOYSA-N 0 1 349.452 3.825 20 10 EHCDMN CC(C)(C)OCc1cc(CNCc2c(O)ccc(Cl)c2F)no1 ZINC000790987664 1134488847 /nfs/dbraw/zinc/48/88/47/1134488847.db2.gz FPLRGPSPLRMSHE-UHFFFAOYSA-N 0 1 342.798 3.778 20 10 EHCDMN COc1cc2nc(NCc3cc(C)c(C)cc3O)[nH]c2cc1OC ZINC000775193619 1134502517 /nfs/dbraw/zinc/50/25/17/1134502517.db2.gz RVOIVYJXBFAPDV-UHFFFAOYSA-N 0 1 327.384 3.515 20 10 EHCDMN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)COc1ccccc1 ZINC000775201611 1134511223 /nfs/dbraw/zinc/51/12/23/1134511223.db2.gz WBNXLJACONWATP-MRXNPFEDSA-N 0 1 349.858 3.696 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000792162116 1134655099 /nfs/dbraw/zinc/65/50/99/1134655099.db2.gz FBIWHAVQPLEZIW-INIZCTEOSA-N 0 1 339.769 3.897 20 10 EHCDMN COC(=O)[C@@H](C)[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC1 ZINC000792184290 1134665421 /nfs/dbraw/zinc/66/54/21/1134665421.db2.gz FMRSQQZSETVPMO-SECBINFHSA-N 0 1 332.227 3.615 20 10 EHCDMN COC(=O)[C@@H](C)[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC1 ZINC000792184290 1134665423 /nfs/dbraw/zinc/66/54/23/1134665423.db2.gz FMRSQQZSETVPMO-SECBINFHSA-N 0 1 332.227 3.615 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCSCC[C@H]2C)c1 ZINC000792195068 1134667221 /nfs/dbraw/zinc/66/72/21/1134667221.db2.gz CGBRMCPYSFUVJN-LLVKDONJSA-N 0 1 330.291 3.791 20 10 EHCDMN COc1cc2c(c(CN[C@H](C)c3ccc(N(C)C)cc3)c1)O[C@@H](C)C2 ZINC000775365097 1134667268 /nfs/dbraw/zinc/66/72/68/1134667268.db2.gz SMMMYDGABIPOMH-LSDHHAIUSA-N 0 1 340.467 3.935 20 10 EHCDMN Cc1cnc2c(cccc2S(=O)(=O)Nc2c(C)cc(O)cc2C)c1 ZINC001191192740 1134823731 /nfs/dbraw/zinc/82/37/31/1134823731.db2.gz PGAWIGBXFACMDR-UHFFFAOYSA-N 0 1 342.420 3.666 20 10 EHCDMN CC[C@@]1(CO)CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793092400 1134850232 /nfs/dbraw/zinc/85/02/32/1134850232.db2.gz KPLCFMOAKZRWIY-QGZVFWFLSA-N 0 1 344.421 3.756 20 10 EHCDMN O=C(NC1CCC(C(F)(F)F)CC1)c1cc(O)c(O)c(Cl)c1 ZINC001193625592 1135161678 /nfs/dbraw/zinc/16/16/78/1135161678.db2.gz KOGOOXOZRDZVIY-UHFFFAOYSA-N 0 1 337.725 3.602 20 10 EHCDMN O=C(Nc1csc(-c2ccncc2)n1)c1cc(O)c(O)c(Cl)c1 ZINC001193605027 1135165509 /nfs/dbraw/zinc/16/55/09/1135165509.db2.gz BGINZAAEUNUUOR-UHFFFAOYSA-N 0 1 347.783 3.522 20 10 EHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc1F ZINC000775644121 1135385756 /nfs/dbraw/zinc/38/57/56/1135385756.db2.gz BBENSESBNIVNIO-UHFFFAOYSA-N 0 1 327.758 3.964 20 10 EHCDMN C[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1O)C(F)(F)F ZINC000806661088 1135478590 /nfs/dbraw/zinc/47/85/90/1135478590.db2.gz WRQHDNZWQFDIHH-NTSWFWBYSA-N 0 1 330.119 3.895 20 10 EHCDMN C[C@@H]1CCC[C@@H](OCC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807840022 1135576005 /nfs/dbraw/zinc/57/60/05/1135576005.db2.gz PTGOXGAQGJYJEU-ZWNOBZJWSA-N 0 1 346.254 3.911 20 10 EHCDMN COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)c1 ZINC000807837098 1135580447 /nfs/dbraw/zinc/58/04/47/1135580447.db2.gz AYVCKOHCMCBSCR-UHFFFAOYSA-N 0 1 340.206 3.946 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1F ZINC000807836817 1135580593 /nfs/dbraw/zinc/58/05/93/1135580593.db2.gz QFODJUBTAWTLDY-UHFFFAOYSA-N 0 1 332.133 3.907 20 10 EHCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc(Cl)n1 ZINC000807835563 1135580833 /nfs/dbraw/zinc/58/08/33/1135580833.db2.gz HKLSKQMKVNZKSN-UHFFFAOYSA-N 0 1 345.613 3.986 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1Cc2ccc(F)cc21 ZINC000807838679 1135581358 /nfs/dbraw/zinc/58/13/58/1135581358.db2.gz OAJICXHPOWPCBW-ZDUSSCGKSA-N 0 1 340.181 3.794 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(Cl)n1 ZINC000807838356 1135581636 /nfs/dbraw/zinc/58/16/36/1135581636.db2.gz PRAYETCGLSNGRZ-UHFFFAOYSA-N 0 1 331.586 3.677 20 10 EHCDMN CSc1ccccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115737 1135619776 /nfs/dbraw/zinc/61/97/76/1135619776.db2.gz QMFAMXMBRYZSKT-UHFFFAOYSA-N 0 1 347.820 3.707 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(Br)ccc1[O-] ZINC000808728028 1135724175 /nfs/dbraw/zinc/72/41/75/1135724175.db2.gz NLLKDTBBEZBDFL-NEPJUHHUSA-N 0 1 348.240 3.982 20 10 EHCDMN CN(CCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-])Cc1ccco1 ZINC000809719372 1135877238 /nfs/dbraw/zinc/87/72/38/1135877238.db2.gz YOVGOBHJKRIXDT-UHFFFAOYSA-N 0 1 340.826 3.732 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758528 1135887532 /nfs/dbraw/zinc/88/75/32/1135887532.db2.gz PHJHLLVTOWBWSZ-QWHCGFSZSA-N 0 1 327.827 3.823 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221948 1135939429 /nfs/dbraw/zinc/93/94/29/1135939429.db2.gz LNSWSVBLUDQMPP-KYOSRNDESA-N 0 1 347.377 3.646 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226922 1135941132 /nfs/dbraw/zinc/94/11/32/1135941132.db2.gz NZMDAUIYKQLCSD-JSGCOSHPSA-N 0 1 339.361 3.732 20 10 EHCDMN CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228728 1135941446 /nfs/dbraw/zinc/94/14/46/1135941446.db2.gz KDXHUFWOPZPRRN-ONGXEEELSA-N 0 1 345.283 3.765 20 10 EHCDMN Cc1cc(Cl)cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000811519675 1136098433 /nfs/dbraw/zinc/09/84/33/1136098433.db2.gz BOENMKFZSJHZGK-AWEZNQCLSA-N 0 1 326.227 3.651 20 10 EHCDMN CC[C@H]([NH2+][C@@H](COC)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000850492385 1136270933 /nfs/dbraw/zinc/27/09/33/1136270933.db2.gz APGUGQSFDJDGAG-HOTGVXAUSA-N 0 1 327.852 3.528 20 10 EHCDMN Cc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)oc1C ZINC000850568272 1136287978 /nfs/dbraw/zinc/28/79/78/1136287978.db2.gz UIRZVUVRKZAHTD-OAHLLOKOSA-N 0 1 328.456 3.708 20 10 EHCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])CN(C)C ZINC000813877440 1136371514 /nfs/dbraw/zinc/37/15/14/1136371514.db2.gz WCLPAWWYYYDTOX-ZJUUUORDSA-N 0 1 349.700 3.656 20 10 EHCDMN CCn1nccc1CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000853094185 1136508566 /nfs/dbraw/zinc/50/85/66/1136508566.db2.gz RUDLCXQOILUDBV-UHFFFAOYSA-N 0 1 340.496 3.891 20 10 EHCDMN CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816532512 1136730926 /nfs/dbraw/zinc/73/09/26/1136730926.db2.gz KSZSCUQNJMGBIZ-UHFFFAOYSA-N 0 1 334.419 3.537 20 10 EHCDMN COCCOc1ccccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816537563 1136731421 /nfs/dbraw/zinc/73/14/21/1136731421.db2.gz JDBURODFFHXTCO-UHFFFAOYSA-N 0 1 337.419 3.860 20 10 EHCDMN CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816547602 1136732292 /nfs/dbraw/zinc/73/22/92/1136732292.db2.gz BQJJSKLXFLWOED-UHFFFAOYSA-N 0 1 330.428 3.550 20 10 EHCDMN CO[C@H]1CCCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000816682403 1136748186 /nfs/dbraw/zinc/74/81/86/1136748186.db2.gz XCOUKAWLUKJYIY-AAEUAGOBSA-N 0 1 332.227 3.520 20 10 EHCDMN COc1c(Cl)cccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000817406396 1136804891 /nfs/dbraw/zinc/80/48/91/1136804891.db2.gz RDCVPGZBJDQVSP-UHFFFAOYSA-N 0 1 345.874 3.713 20 10 EHCDMN C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Br)cc1[O-] ZINC000817957245 1136851776 /nfs/dbraw/zinc/85/17/76/1136851776.db2.gz KCKQZDVGYYVWHJ-NSHDSACASA-N 0 1 335.245 3.630 20 10 EHCDMN CCC(C)(C)NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000857758602 1136905720 /nfs/dbraw/zinc/90/57/20/1136905720.db2.gz MRAFXEHBARXWPO-QGZVFWFLSA-N 0 1 345.531 3.802 20 10 EHCDMN Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC000858012666 1136930588 /nfs/dbraw/zinc/93/05/88/1136930588.db2.gz KQBYIUSRBASPPI-AWEZNQCLSA-N 0 1 336.794 3.541 20 10 EHCDMN CC(=O)N(C)c1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1 ZINC000858250962 1136952290 /nfs/dbraw/zinc/95/22/90/1136952290.db2.gz LDYFMJNVQFQJSI-UHFFFAOYSA-N 0 1 332.831 3.627 20 10 EHCDMN Cc1cc(CNCc2cnc(N(C)C)nc2)c(C)n1-c1cccc(C)c1 ZINC000858292484 1136955500 /nfs/dbraw/zinc/95/55/00/1136955500.db2.gz AGENAFAMYSYSKX-UHFFFAOYSA-N 0 1 349.482 3.548 20 10 EHCDMN C[C@@H](CN(C)Cc1cc(F)c(N(C)C)cc1F)c1nccs1 ZINC000862322507 1137138062 /nfs/dbraw/zinc/13/80/62/1137138062.db2.gz MJRHUKCBJPPPOA-NSHDSACASA-N 0 1 325.428 3.723 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC000862366248 1137140726 /nfs/dbraw/zinc/14/07/26/1137140726.db2.gz GAFVBPVZGLTFAH-UHFFFAOYSA-N 0 1 347.256 3.929 20 10 EHCDMN CC1(C)CN(Cc2c(O)cccc2Br)[C@H]1[C@H]1CCCO1 ZINC000862371903 1137140992 /nfs/dbraw/zinc/14/09/92/1137140992.db2.gz NSHMPTKDVDKKNU-CABCVRRESA-N 0 1 340.261 3.544 20 10 EHCDMN Cc1ncsc1C[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824710216 1137149693 /nfs/dbraw/zinc/14/96/93/1137149693.db2.gz UWZZLIDFDRNBTL-UHFFFAOYSA-N 0 1 327.247 3.552 20 10 EHCDMN Cc1ncsc1C[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824710216 1137149695 /nfs/dbraw/zinc/14/96/95/1137149695.db2.gz UWZZLIDFDRNBTL-UHFFFAOYSA-N 0 1 327.247 3.552 20 10 EHCDMN OCC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCSCC1 ZINC000825129898 1137166783 /nfs/dbraw/zinc/16/67/83/1137166783.db2.gz HNRRBEFUTDURCK-UHFFFAOYSA-N 0 1 343.492 3.749 20 10 EHCDMN CC[C@H](NCc1cc(Cl)c(C)cc1O)c1nnc2n1CCCCC2 ZINC000825185983 1137168077 /nfs/dbraw/zinc/16/80/77/1137168077.db2.gz UQOSFASSMUATHK-HNNXBMFYSA-N 0 1 348.878 3.913 20 10 EHCDMN CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cn1 ZINC000825253949 1137170809 /nfs/dbraw/zinc/17/08/09/1137170809.db2.gz KKVAWICZSNALNB-LLVKDONJSA-N 0 1 338.249 3.783 20 10 EHCDMN COc1cc(NCc2ccc(F)c(F)c2O)c(Cl)c(OC)c1 ZINC000864041719 1137212850 /nfs/dbraw/zinc/21/28/50/1137212850.db2.gz ZAMGIRAFOGDYRW-UHFFFAOYSA-N 0 1 329.730 3.953 20 10 EHCDMN CC[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(OC)c1OC ZINC000865758322 1137308947 /nfs/dbraw/zinc/30/89/47/1137308947.db2.gz CZINUFSGCLONTI-QGZVFWFLSA-N 0 1 327.424 3.880 20 10 EHCDMN Cc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)c(Cl)c1 ZINC000845924210 1137320640 /nfs/dbraw/zinc/32/06/40/1137320640.db2.gz IUNDMBYVGCWDON-UHFFFAOYSA-N 0 1 348.849 3.914 20 10 EHCDMN COc1cccc(O)c1CN[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000846051140 1137330548 /nfs/dbraw/zinc/33/05/48/1137330548.db2.gz BKUZKBWHYOUQRD-OAHLLOKOSA-N 0 1 331.387 3.932 20 10 EHCDMN COc1cccc([C@H](C)N[C@H]2CCCc3cn(C(C)C)nc32)c1O ZINC000846164231 1137337510 /nfs/dbraw/zinc/33/75/10/1137337510.db2.gz NGVRUUMLRGPKLJ-BBRMVZONSA-N 0 1 329.444 3.906 20 10 EHCDMN CC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1nnc2n1CCCCC2 ZINC000846143406 1137338644 /nfs/dbraw/zinc/33/86/44/1137338644.db2.gz FKSRSYVYXQGXAL-DZGCQCFKSA-N 0 1 344.459 3.521 20 10 EHCDMN CC[C@H]([NH2+]CCC1(CO)CCC1)c1cc(Br)ccc1[O-] ZINC000846211704 1137343738 /nfs/dbraw/zinc/34/37/38/1137343738.db2.gz YNJXGHPWROBQKW-AWEZNQCLSA-N 0 1 342.277 3.748 20 10 EHCDMN C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])CC1(C)OCCO1 ZINC000866425887 1137354004 /nfs/dbraw/zinc/35/40/04/1137354004.db2.gz PURNJQSFVKXPQM-GJZGRUSLSA-N 0 1 329.440 3.985 20 10 EHCDMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000866454116 1137356219 /nfs/dbraw/zinc/35/62/19/1137356219.db2.gz FNYAVBCPUZRRFD-QWHCGFSZSA-N 0 1 349.475 3.839 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccnc(F)c1)c1cc(Br)ccc1[O-] ZINC000866474204 1137357765 /nfs/dbraw/zinc/35/77/65/1137357765.db2.gz UPWJOWHVCSNUFO-ZDUSSCGKSA-N 0 1 339.208 3.930 20 10 EHCDMN CCOC1CC2(C[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000868357751 1137407350 /nfs/dbraw/zinc/40/73/50/1137407350.db2.gz FYHPJCNSPYQWSH-BGMSHATGSA-N 0 1 344.238 3.520 20 10 EHCDMN C[N@@H+](Cc1ccccc1O)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171903275 1137517786 /nfs/dbraw/zinc/51/77/86/1137517786.db2.gz OHHHJUJLVXGMIE-IBGZPJMESA-N 0 1 338.451 3.519 20 10 EHCDMN CC[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000872113200 1137571837 /nfs/dbraw/zinc/57/18/37/1137571837.db2.gz NJKGDXMUEDCQBB-FZMZJTMJSA-N 0 1 345.361 3.795 20 10 EHCDMN CCCOc1ccc(CNCc2cccc(C(=O)NCC)c2)cc1C ZINC000873019344 1137588091 /nfs/dbraw/zinc/58/80/91/1137588091.db2.gz MQPKTPYLVQWZML-UHFFFAOYSA-N 0 1 340.467 3.823 20 10 EHCDMN COc1cccc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)c1O ZINC000125465120 1137634978 /nfs/dbraw/zinc/63/49/78/1137634978.db2.gz LILNJEGTYDARDX-UHFFFAOYSA-N 0 1 341.329 3.931 20 10 EHCDMN COc1cccc(CN(C)Cc2ccccc2OC(F)(F)F)c1O ZINC000125465120 1137634979 /nfs/dbraw/zinc/63/49/79/1137634979.db2.gz LILNJEGTYDARDX-UHFFFAOYSA-N 0 1 341.329 3.931 20 10 EHCDMN C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876795606 1137661433 /nfs/dbraw/zinc/66/14/33/1137661433.db2.gz RYJASQQTMVSNEU-BGJPBQGDSA-N 0 1 339.407 3.601 20 10 EHCDMN Cc1ccc(CNc2ccccc2CN2CCSCC2)c(O)c1 ZINC000876852898 1137663636 /nfs/dbraw/zinc/66/36/36/1137663636.db2.gz CPFKIBQOZWFVEX-UHFFFAOYSA-N 0 1 328.481 3.862 20 10 EHCDMN CC1CCN(c2ccc(CNCc3ccc(Cl)nn3)cc2)CC1 ZINC000877025196 1137668010 /nfs/dbraw/zinc/66/80/10/1137668010.db2.gz ZKOOSZGLILIRNT-UHFFFAOYSA-N 0 1 330.863 3.656 20 10 EHCDMN CCn1nc(C)c(CN(C)Cc2cc(Cl)cc(OC)c2O)c1C ZINC000877664396 1137684805 /nfs/dbraw/zinc/68/48/05/1137684805.db2.gz 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CC[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217982 1135939029 /nfs/dbraw/zinc/93/90/29/1135939029.db2.gz DKDYMKDFGHWUAX-HIFRSBDPSA-N 0 1 347.377 3.647 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209793 1135943314 /nfs/dbraw/zinc/94/33/14/1135943314.db2.gz VVCBOEXVWSOIFM-LRDDRELGSA-N 0 1 342.405 3.936 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209906 1135943599 /nfs/dbraw/zinc/94/35/99/1135943599.db2.gz LGTGCGKBGSCHCL-OCCSQVGLSA-N 0 1 329.318 3.778 20 10 EHCDMN COc1cc(Br)cc(CN2CC(C)(C)[C@@H]2C2CC2)c1O ZINC000811512941 1136103365 /nfs/dbraw/zinc/10/33/65/1136103365.db2.gz BDNFNZMASLEILH-HNNXBMFYSA-N 0 1 340.261 3.784 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1Cl ZINC000825536189 1136157468 /nfs/dbraw/zinc/15/74/68/1136157468.db2.gz GSOFNBXEVBDGLJ-UHFFFAOYSA-N 0 1 346.858 3.669 20 10 EHCDMN CSCC1(CC[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000850355513 1136240119 /nfs/dbraw/zinc/24/01/19/1136240119.db2.gz GEKCEZUMUHJVJA-UHFFFAOYSA-N 0 1 330.291 3.778 20 10 EHCDMN COc1cccc(O)c1CNCc1sc(C)cc1Br ZINC000850380666 1136245924 /nfs/dbraw/zinc/24/59/24/1136245924.db2.gz JNDHAZWKQMHBDY-UHFFFAOYSA-N 0 1 342.258 3.823 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000850421686 1136255941 /nfs/dbraw/zinc/25/59/41/1136255941.db2.gz XOEAYIYJGRPPAU-OAHLLOKOSA-N 0 1 345.748 3.595 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000850484678 1136268232 /nfs/dbraw/zinc/26/82/32/1136268232.db2.gz NXHDHCSXMYSXER-SFHVURJKSA-N 0 1 346.858 3.923 20 10 EHCDMN COc1ccc(N2CC[C@@H](N[C@H](C)c3nc(C)sc3C)C2)cc1 ZINC000850487759 1136269043 /nfs/dbraw/zinc/26/90/43/1136269043.db2.gz JGCHURIBVOCOOI-IUODEOHRSA-N 0 1 331.485 3.698 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000850558819 1136285103 /nfs/dbraw/zinc/28/51/03/1136285103.db2.gz TYTXELPCYNWSCJ-LSDHHAIUSA-N 0 1 340.467 3.843 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000850558718 1136285225 /nfs/dbraw/zinc/28/52/25/1136285225.db2.gz TYTXELPCYNWSCJ-HUUCEWRRSA-N 0 1 340.467 3.843 20 10 EHCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000850558679 1136285272 /nfs/dbraw/zinc/28/52/72/1136285272.db2.gz STBYXGMKXZSMBX-OLZOCXBDSA-N 0 1 338.879 3.652 20 10 EHCDMN CC[C@@H]([NH2+]Cc1snnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000813884553 1136372651 /nfs/dbraw/zinc/37/26/51/1136372651.db2.gz XBXJZQIZYJWNBT-LLVKDONJSA-N 0 1 331.363 3.812 20 10 EHCDMN CCN(C)c1ccc(CN[C@@H](COC)c2cccc(OC)c2)cc1 ZINC000852442993 1136456500 /nfs/dbraw/zinc/45/65/00/1136456500.db2.gz GVPPYOFUOZUFIX-FQEVSTJZSA-N 0 1 328.456 3.629 20 10 EHCDMN CC[C@@H]([NH2+]Cc1ccnn1CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000853239657 1136521010 /nfs/dbraw/zinc/52/10/10/1136521010.db2.gz ITQUXVCGWQHFLJ-CQSZACIVSA-N 0 1 327.350 3.868 20 10 EHCDMN Cc1cc(CNC(C)(C)c2nc3ccccc3n2C)ccc1N(C)C ZINC000815095499 1136555153 /nfs/dbraw/zinc/55/51/53/1136555153.db2.gz XITDASDVOVTMJX-UHFFFAOYSA-N 0 1 336.483 3.973 20 10 EHCDMN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])[C@@H]1n1cccn1 ZINC000815660807 1136623262 /nfs/dbraw/zinc/62/32/62/1136623262.db2.gz KGGMXBZZASHRPP-ONIAQPFYSA-N 0 1 349.862 3.702 20 10 EHCDMN C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816509599 1136728825 /nfs/dbraw/zinc/72/88/25/1136728825.db2.gz WHJCEVPNKUYMNY-SNVBAGLBSA-N 0 1 346.830 3.530 20 10 EHCDMN Cn1ccnc1[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816533419 1136730865 /nfs/dbraw/zinc/73/08/65/1136730865.db2.gz VNFZNWFFHXCKMC-KRWDZBQOSA-N 0 1 345.805 3.797 20 10 EHCDMN [O-]c1c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc2ccccc12 ZINC000816592383 1136735523 /nfs/dbraw/zinc/73/55/23/1136735523.db2.gz IILAFPLJMWYKOY-RHSMWYFYSA-N 0 1 339.357 3.681 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc2ccccc12 ZINC000816592383 1136735526 /nfs/dbraw/zinc/73/55/26/1136735526.db2.gz IILAFPLJMWYKOY-RHSMWYFYSA-N 0 1 339.357 3.681 20 10 EHCDMN CC1([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3[O-])C2)OCCO1 ZINC000816568235 1136738320 /nfs/dbraw/zinc/73/83/20/1136738320.db2.gz AZWBSJGUGKYTHC-KRWDZBQOSA-N 0 1 327.424 3.520 20 10 EHCDMN CC1([C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)OCCO1 ZINC000816568235 1136738322 /nfs/dbraw/zinc/73/83/22/1136738322.db2.gz AZWBSJGUGKYTHC-KRWDZBQOSA-N 0 1 327.424 3.520 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)ccc2ccccc21 ZINC000816615435 1136741540 /nfs/dbraw/zinc/74/15/40/1136741540.db2.gz WFCLGZCECOHMAK-UNMCSNQZSA-N 0 1 333.431 3.801 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000816614846 1136741878 /nfs/dbraw/zinc/74/18/78/1136741878.db2.gz HDMRVQKHTVLZRB-HNNXBMFYSA-N 0 1 346.833 3.822 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816656402 1136745542 /nfs/dbraw/zinc/74/55/42/1136745542.db2.gz QMMYXHUUUSRYFD-MRXNPFEDSA-N 0 1 325.811 3.576 20 10 EHCDMN c1cc(N2CCCCC2)ccc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666319 1136746927 /nfs/dbraw/zinc/74/69/27/1136746927.db2.gz KGFAZMIHUHQQMS-RTWAWAEBSA-N 0 1 326.484 3.820 20 10 EHCDMN COC1([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CCOCC1 ZINC000817588400 1136826796 /nfs/dbraw/zinc/82/67/96/1136826796.db2.gz OQOLHRSQGXIBMQ-LSDHHAIUSA-N 0 1 329.440 3.780 20 10 EHCDMN C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(Br)ccc1[O-] ZINC000817956663 1136851721 /nfs/dbraw/zinc/85/17/21/1136851721.db2.gz ACOYNWQNQKZUJC-LLVKDONJSA-N 0 1 335.245 3.630 20 10 EHCDMN Cc1cc(N)cc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])c1 ZINC000817981539 1136854913 /nfs/dbraw/zinc/85/49/13/1136854913.db2.gz SZIDDOGMPJXHHJ-LLVKDONJSA-N 0 1 335.245 3.896 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)N[C@H]2c3ccccc3CN(C)C2=O)c1O ZINC000857877427 1136917382 /nfs/dbraw/zinc/91/73/82/1136917382.db2.gz OETOZKOQMOLILJ-SJCJKPOMSA-N 0 1 344.842 3.718 20 10 EHCDMN C[C@H](Cc1cccc(O)c1)[NH2+]Cc1c([O-])cccc1Br ZINC000858125336 1136941994 /nfs/dbraw/zinc/94/19/94/1136941994.db2.gz AJFXMQUPKWUTDY-LLVKDONJSA-N 0 1 336.229 3.581 20 10 EHCDMN O=C(Nc1cccc(N2CCCCC2)c1)c1cc2[nH]cnc2cc1F ZINC000819845723 1136963754 /nfs/dbraw/zinc/96/37/54/1136963754.db2.gz OFSDECOMZOLGKP-UHFFFAOYSA-N 0 1 338.386 3.945 20 10 EHCDMN C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(Cl)cc1[O-] ZINC000858452913 1136968941 /nfs/dbraw/zinc/96/89/41/1136968941.db2.gz PKDKNPVVAHTUHG-MRVPVSSYSA-N 0 1 333.741 3.649 20 10 EHCDMN C[C@@H]1CC2(C[N@@H+]1Cc1c([O-])cccc1Br)CCOCC2 ZINC000862400212 1137142733 /nfs/dbraw/zinc/14/27/33/1137142733.db2.gz PYFSHVNKQCMGCM-GFCCVEGCSA-N 0 1 340.261 3.546 20 10 EHCDMN C[C@@H]1CC2(C[N@H+]1Cc1c([O-])cccc1Br)CCOCC2 ZINC000862400212 1137142734 /nfs/dbraw/zinc/14/27/34/1137142734.db2.gz PYFSHVNKQCMGCM-GFCCVEGCSA-N 0 1 340.261 3.546 20 10 EHCDMN Cc1nc(CNCc2cc(C)ccc2O)sc1Br ZINC000824592202 1137144245 /nfs/dbraw/zinc/14/42/45/1137144245.db2.gz ZMFGHGVZDBLKHW-UHFFFAOYSA-N 0 1 327.247 3.518 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1Cl ZINC000825083501 1137164800 /nfs/dbraw/zinc/16/48/00/1137164800.db2.gz FKUBDIHTCIKIOC-INIZCTEOSA-N 0 1 326.223 3.831 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215577 1137169070 /nfs/dbraw/zinc/16/90/70/1137169070.db2.gz RCDHCABHQPANCG-OAHLLOKOSA-N 0 1 342.302 3.874 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccccc2Cl)cc1Cl ZINC000825298162 1137171732 /nfs/dbraw/zinc/17/17/32/1137171732.db2.gz VNFAYJBHPWYCGN-INIZCTEOSA-N 0 1 326.223 3.831 20 10 EHCDMN COc1c([O-])c(C[N@H+](C)Cc2ccc(C)c(C)c2)ccc1[N+](=O)[O-] ZINC000825300203 1137172061 /nfs/dbraw/zinc/17/20/61/1137172061.db2.gz XPMCFURKAKXCRG-UHFFFAOYSA-N 0 1 330.384 3.558 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)Cc2ccc(C)c(C)c2)ccc1[N+](=O)[O-] ZINC000825300203 1137172062 /nfs/dbraw/zinc/17/20/62/1137172062.db2.gz XPMCFURKAKXCRG-UHFFFAOYSA-N 0 1 330.384 3.558 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1cccc(-n2nccn2)c1 ZINC000864044028 1137213014 /nfs/dbraw/zinc/21/30/14/1137213014.db2.gz QVMOSTRQRTWJHR-UHFFFAOYSA-N 0 1 335.194 3.892 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cccnc1F)c1cc(Br)ccc1[O-] ZINC000794836884 1137283723 /nfs/dbraw/zinc/28/37/23/1137283723.db2.gz RSOJTCDAKQOXRD-CYBMUJFWSA-N 0 1 339.208 3.930 20 10 EHCDMN COc1ccc(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)cc1C ZINC000865653180 1137302019 /nfs/dbraw/zinc/30/20/19/1137302019.db2.gz CROAJNNYHLQWCD-INIZCTEOSA-N 0 1 339.357 3.846 20 10 EHCDMN COc1cccc(CNCc2ccccc2C(=O)OC(C)(C)C)c1O ZINC000865729159 1137307155 /nfs/dbraw/zinc/30/71/55/1137307155.db2.gz GAMJOEKIBBTHSQ-UHFFFAOYSA-N 0 1 343.423 3.646 20 10 EHCDMN CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846058447 1137327664 /nfs/dbraw/zinc/32/76/64/1137327664.db2.gz PCKVYLBUUVEHFX-UHFFFAOYSA-N 0 1 336.775 3.642 20 10 EHCDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(Cl)ccc1O ZINC000846058447 1137327666 /nfs/dbraw/zinc/32/76/66/1137327666.db2.gz PCKVYLBUUVEHFX-UHFFFAOYSA-N 0 1 336.775 3.642 20 10 EHCDMN CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000846198934 1137341149 /nfs/dbraw/zinc/34/11/49/1137341149.db2.gz AHMRNNFKVCNGCQ-PSOPSSQASA-N 0 1 328.250 3.763 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Cl)ccc1[O-] ZINC000846215566 1137341994 /nfs/dbraw/zinc/34/19/94/1137341994.db2.gz LMTQDCHXNIHONC-HZPDHXFCSA-N 0 1 346.858 3.863 20 10 EHCDMN Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846279184 1137344769 /nfs/dbraw/zinc/34/47/69/1137344769.db2.gz WUQVBFHHTZFZCP-CMKODMSKSA-N 0 1 342.483 3.670 20 10 EHCDMN C[C@@H](N[C@@H](C)c1cc(O)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000872028692 1137566128 /nfs/dbraw/zinc/56/61/28/1137566128.db2.gz SAIFYUKZYKOWFY-CABCVRRESA-N 0 1 344.430 3.780 20 10 EHCDMN C[C@@H]1CN(c2ccccc2NCc2ccc(F)c(F)c2O)C[C@H](C)O1 ZINC000876817797 1137662431 /nfs/dbraw/zinc/66/24/31/1137662431.db2.gz GRWICAPGTNCUCA-BETUJISGSA-N 0 1 348.393 3.896 20 10 EHCDMN C[C@@H](NCc1c(Cl)n(C)nc1C(F)(F)F)c1ccccc1O ZINC000877756247 1137688416 /nfs/dbraw/zinc/68/84/16/1137688416.db2.gz AUTKUSHHDMVJNW-MRVPVSSYSA-N 0 1 333.741 3.649 20 10 EHCDMN CCN(CC)c1ccc(CNCc2ccc3oc(=O)oc3c2)cc1F ZINC000882990031 1137840628 /nfs/dbraw/zinc/84/06/28/1137840628.db2.gz SPLQNTUSRHXIGQ-UHFFFAOYSA-N 0 1 344.386 3.661 20 10 EHCDMN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000101905921 1137872026 /nfs/dbraw/zinc/87/20/26/1137872026.db2.gz PLMPMXLGMPMXRC-MRXNPFEDSA-N 0 1 340.467 3.674 20 10 EHCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000101905921 1137872027 /nfs/dbraw/zinc/87/20/27/1137872027.db2.gz PLMPMXLGMPMXRC-MRXNPFEDSA-N 0 1 340.467 3.674 20 10 EHCDMN Cc1csc(C(C)(C)NCc2cc(Br)ccc2O)n1 ZINC000116382779 1137925578 /nfs/dbraw/zinc/92/55/78/1137925578.db2.gz TVIHIRGWYSJLGY-UHFFFAOYSA-N 0 1 341.274 3.945 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(Br)cc1[O-] ZINC000120218924 1137947381 /nfs/dbraw/zinc/94/73/81/1137947381.db2.gz ATFNTYVDEJSQGQ-CMPLNLGQSA-N 0 1 328.250 3.763 20 10 EHCDMN COC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000886789189 1138140784 /nfs/dbraw/zinc/14/07/84/1138140784.db2.gz QFBQKTYJKIQQLP-OGWOLHLISA-N 0 1 329.440 3.638 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000826534448 1138195344 /nfs/dbraw/zinc/19/53/44/1138195344.db2.gz GLGKTBKDRVZWTI-HNNXBMFYSA-N 0 1 340.261 3.688 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000826534448 1138195346 /nfs/dbraw/zinc/19/53/46/1138195346.db2.gz GLGKTBKDRVZWTI-HNNXBMFYSA-N 0 1 340.261 3.688 20 10 EHCDMN COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000179958891 1139796890 /nfs/dbraw/zinc/79/68/90/1139796890.db2.gz GNJZJDOILMDTJX-SNVBAGLBSA-N 0 1 335.350 3.732 20 10 EHCDMN COc1ccc(F)cc1[C@@H](C)NCc1cc(F)cc(C(C)=O)c1O ZINC000179958891 1139796894 /nfs/dbraw/zinc/79/68/94/1139796894.db2.gz GNJZJDOILMDTJX-SNVBAGLBSA-N 0 1 335.350 3.732 20 10 EHCDMN CC[C@](C)(NCc1cc(OC)c(OC)cc1O)c1nc(C)cs1 ZINC000182226571 1139959065 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[O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000271231306 1141330157 /nfs/dbraw/zinc/33/01/57/1141330157.db2.gz UOGNGXTWLWBZJN-GFCCVEGCSA-N 0 1 333.819 3.686 20 10 EHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000271231306 1141330165 /nfs/dbraw/zinc/33/01/65/1141330165.db2.gz UOGNGXTWLWBZJN-GFCCVEGCSA-N 0 1 333.819 3.686 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000038044130 202090838 /nfs/dbraw/zinc/09/08/38/202090838.db2.gz MOEGBCAZLPZGNY-RISCZKNCSA-N 0 1 328.250 3.622 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H]1CCCN1CC)c1cc(Br)ccc1[O-] ZINC000019960304 212090913 /nfs/dbraw/zinc/09/09/13/212090913.db2.gz AEARQNFXZGWVKQ-DZGCQCFKSA-N 0 1 341.293 3.680 20 10 EHCDMN O=C([O-])N1CCC(C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000740500475 602434654 /nfs/dbraw/zinc/43/46/54/602434654.db2.gz QPIPVWNPRYVICS-UHFFFAOYSA-N 0 1 332.444 3.527 20 10 EHCDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000833419398 605548906 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1 345.874 3.713 20 10 EHCDMN CCN(CC)c1ccc(CN[C@H](C)c2ccnc(OC)c2)cc1F ZINC000788590294 1134148972 /nfs/dbraw/zinc/14/89/72/1134148972.db2.gz FTVDBLKTZQXBAB-CQSZACIVSA-N 0 1 331.435 3.926 20 10 EHCDMN Oc1cc2c(cc1CNCc1ccc(-c3ccco3)cc1F)OCO2 ZINC000790483834 1134424780 /nfs/dbraw/zinc/42/47/80/1134424780.db2.gz KDZDPAIRPAUSKU-UHFFFAOYSA-N 0 1 341.338 3.810 20 10 EHCDMN O=C1c2ccccc2-c2cccc(NS(=O)(=O)CC3CCCC3)c21 ZINC001191529272 1134880706 /nfs/dbraw/zinc/88/07/06/1134880706.db2.gz FLEVZYFQAFDGOG-UHFFFAOYSA-N 0 1 341.432 3.830 20 10 EHCDMN Oc1cc(OCc2ccccc2)ccc1CNCc1cccnc1F ZINC000793279660 1134900729 /nfs/dbraw/zinc/90/07/29/1134900729.db2.gz FOAYGFIKQGNHQW-UHFFFAOYSA-N 0 1 338.382 3.795 20 10 EHCDMN CC[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775484799 1134918448 /nfs/dbraw/zinc/91/84/48/1134918448.db2.gz JBDUZUPLCXRZTP-ZQIUZPCESA-N 0 1 340.895 3.586 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1cc(Cl)ccc1[O-] ZINC000775492268 1134938452 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Cc1cccnc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806406343 1135440928 /nfs/dbraw/zinc/44/09/28/1135440928.db2.gz WMELRLGQJHZSDW-UHFFFAOYSA-N 0 1 326.183 3.724 20 10 EHCDMN COc1cc(O)c(CN2CCc3cccc(F)c3[C@@H]2C)cc1OC ZINC000775699842 1135532595 /nfs/dbraw/zinc/53/25/95/1135532595.db2.gz IFCSKEIGAXSBEG-LBPRGKRZSA-N 0 1 331.387 3.668 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](c2ccsc2)C1 ZINC000775724355 1135575085 /nfs/dbraw/zinc/57/50/85/1135575085.db2.gz AUFAHGUOUKUVHS-AWEZNQCLSA-N 0 1 327.808 3.820 20 10 EHCDMN O=C(CCC1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837213 1135580112 /nfs/dbraw/zinc/58/01/12/1135580112.db2.gz HEPCMKHKFHBKJH-UHFFFAOYSA-N 0 1 332.227 3.522 20 10 EHCDMN CC(C)c1ocnc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836611 1135580755 /nfs/dbraw/zinc/58/07/55/1135580755.db2.gz HHYOKOVPWMVBQL-UHFFFAOYSA-N 0 1 329.183 3.740 20 10 EHCDMN CCN(CC)c1ccc(CN(C)Cc2cc(C(=O)OC)oc2C)cc1 ZINC000747533161 1135749078 /nfs/dbraw/zinc/74/90/78/1135749078.db2.gz NFWWJLJVQLZOSM-UHFFFAOYSA-N 0 1 344.455 3.853 20 10 EHCDMN COC(=O)c1oc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775829930 1135784663 /nfs/dbraw/zinc/78/46/63/1135784663.db2.gz AZZSPXCFLTUFBF-KBPBESRZSA-N 0 1 330.428 3.852 20 10 EHCDMN CN(Cc1cnn(C)c1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809540212 1135849092 /nfs/dbraw/zinc/84/90/92/1135849092.db2.gz NKCKNRDPVHIEFJ-UHFFFAOYSA-N 0 1 346.478 3.615 20 10 EHCDMN COc1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000809700568 1135869391 /nfs/dbraw/zinc/86/93/91/1135869391.db2.gz JILCGCXASGFSQM-IUODEOHRSA-N 0 1 327.852 3.570 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000809700568 1135869394 /nfs/dbraw/zinc/86/93/94/1135869394.db2.gz JILCGCXASGFSQM-IUODEOHRSA-N 0 1 327.852 3.570 20 10 EHCDMN CCC[N@@H+](CCc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809734278 1135873844 /nfs/dbraw/zinc/87/38/44/1135873844.db2.gz CJEQLWVGVTUSGW-UHFFFAOYSA-N 0 1 349.818 3.804 20 10 EHCDMN CN(C)c1ccccc1C[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000809787841 1135892135 /nfs/dbraw/zinc/89/21/35/1135892135.db2.gz KNDOVEZGEPTHHE-UHFFFAOYSA-N 0 1 349.272 3.853 20 10 EHCDMN CN(C)c1ccccc1C[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000809787841 1135892137 /nfs/dbraw/zinc/89/21/37/1135892137.db2.gz KNDOVEZGEPTHHE-UHFFFAOYSA-N 0 1 349.272 3.853 20 10 EHCDMN COc1nc2ccccc2cc1CNCc1ccc2c(c1)CCCN2C ZINC001199823735 1135932830 /nfs/dbraw/zinc/93/28/30/1135932830.db2.gz UWFNHDSLITZDJS-UHFFFAOYSA-N 0 1 347.462 3.916 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217246 1135938805 /nfs/dbraw/zinc/93/88/05/1135938805.db2.gz ZHTLPQHXNLCBEC-XHDPSFHLSA-N 0 1 330.394 3.934 20 10 EHCDMN CC[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224230 1135940522 /nfs/dbraw/zinc/94/05/22/1135940522.db2.gz SRSFOZYHGNCCDT-DZGCQCFKSA-N 0 1 347.377 3.647 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](CCOC)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810258122 1135949530 /nfs/dbraw/zinc/94/95/30/1135949530.db2.gz ZUTBSRLRJSXICO-GXTWGEPZSA-N 0 1 335.366 3.503 20 10 EHCDMN COc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1OC(F)F ZINC000776175115 1136021668 /nfs/dbraw/zinc/02/16/68/1136021668.db2.gz VNGTVSWFMLNXBY-UHFFFAOYSA-N 0 1 343.757 3.945 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000812736071 1136239811 /nfs/dbraw/zinc/23/98/11/1136239811.db2.gz LAVQSYCQJBRWQK-KBPBESRZSA-N 0 1 332.394 3.848 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000850409145 1136252019 /nfs/dbraw/zinc/25/20/19/1136252019.db2.gz LVWGPBGMMJTTTK-HYVNUMGLSA-N 0 1 348.215 3.722 20 10 EHCDMN COC1CC(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000850483237 1136267574 /nfs/dbraw/zinc/26/75/74/1136267574.db2.gz VJHSIUAVWZYYGO-ZBOXLXRLSA-N 0 1 328.250 3.620 20 10 EHCDMN CCN(C)c1ccc([C@H](C)NCc2cnc(C(F)(F)F)nc2)cc1 ZINC000850485962 1136268655 /nfs/dbraw/zinc/26/86/55/1136268655.db2.gz OZPJMLQYKJSRQZ-LBPRGKRZSA-N 0 1 338.377 3.802 20 10 EHCDMN C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc(Cl)ccc1[O-] ZINC000850501681 1136272541 /nfs/dbraw/zinc/27/25/41/1136272541.db2.gz PKCKYVYRTKQPFS-CYBMUJFWSA-N 0 1 331.847 3.892 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000850557997 1136285256 /nfs/dbraw/zinc/28/52/56/1136285256.db2.gz PFJRDKQUCAWHQE-WFASDCNBSA-N 0 1 338.879 3.733 20 10 EHCDMN C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc2ccccc2c1[O-] ZINC000850561141 1136286053 /nfs/dbraw/zinc/28/60/53/1136286053.db2.gz IEPRFWZSAMZKHB-YCRPNKLZSA-N 0 1 343.467 3.764 20 10 EHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cn1 ZINC000850567760 1136287899 /nfs/dbraw/zinc/28/78/99/1136287899.db2.gz INBVILRGNCSQRN-AWEZNQCLSA-N 0 1 345.874 3.547 20 10 EHCDMN CN(C)c1ccc(CN2CC3(CCOCC3)[C@H]2c2ccco2)cc1 ZINC000852485705 1136459452 /nfs/dbraw/zinc/45/94/52/1136459452.db2.gz PVJUQGOKHKFLQQ-LJQANCHMSA-N 0 1 326.440 3.699 20 10 EHCDMN CC(C)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(O)c(=O)c1 ZINC000853488612 1136537166 /nfs/dbraw/zinc/53/71/66/1136537166.db2.gz MOQUAIUUBGRYJB-UHFFFAOYSA-N 0 1 340.467 3.574 20 10 EHCDMN Cc1cc(CN2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)ccc1N(C)C ZINC000815121151 1136553504 /nfs/dbraw/zinc/55/35/04/1136553504.db2.gz RKYLXISFZDQFBS-CALCHBBNSA-N 0 1 345.531 3.528 20 10 EHCDMN O=C(CCCc1cccnc1)NCc1cc(Cl)cc(Cl)c1O ZINC000854475055 1136619082 /nfs/dbraw/zinc/61/90/82/1136619082.db2.gz QIKZQJCUDKXTJF-UHFFFAOYSA-N 0 1 339.222 3.733 20 10 EHCDMN COc1cc2c(cc1F)CN(Cc1cc3c(cc1O)CCC3)CC2 ZINC000776779713 1136664810 /nfs/dbraw/zinc/66/48/10/1136664810.db2.gz JXHNWTBFCAREHM-UHFFFAOYSA-N 0 1 327.399 3.587 20 10 EHCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1COc2ccccc2O1 ZINC000816482091 1136722879 /nfs/dbraw/zinc/72/28/79/1136722879.db2.gz UHFURDQTNVCENH-KRWDZBQOSA-N 0 1 335.403 3.817 20 10 EHCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1COc2ccccc2O1 ZINC000816482091 1136722880 /nfs/dbraw/zinc/72/28/80/1136722880.db2.gz UHFURDQTNVCENH-KRWDZBQOSA-N 0 1 335.403 3.817 20 10 EHCDMN Cc1nc([C@@H]2CCCCN2Cc2cc(Cl)c(F)cc2O)no1 ZINC000816494448 1136724590 /nfs/dbraw/zinc/72/45/90/1136724590.db2.gz MCPUCGQNNXKTFY-ZDUSSCGKSA-N 0 1 325.771 3.603 20 10 EHCDMN CCNC(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816535015 1136730775 /nfs/dbraw/zinc/73/07/75/1136730775.db2.gz CDAHXAASFNWDOO-UHFFFAOYSA-N 0 1 334.419 3.585 20 10 EHCDMN Oc1c(CNCc2nccn2CC(F)(F)F)ccc2ccccc12 ZINC000816546361 1136732108 /nfs/dbraw/zinc/73/21/08/1136732108.db2.gz HXVRZZVXDDMOAS-UHFFFAOYSA-N 0 1 335.329 3.594 20 10 EHCDMN C[C@@H](NCc1cc(Cl)c(F)cc1O)c1nc(C(C)(C)C)no1 ZINC000816590762 1136734755 /nfs/dbraw/zinc/73/47/55/1136734755.db2.gz LBADBYBQXUWPLK-MRVPVSSYSA-N 0 1 327.787 3.716 20 10 EHCDMN CN(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccs1 ZINC000816561351 1136736582 /nfs/dbraw/zinc/73/65/82/1136736582.db2.gz URWHZEFCJTTYJM-KRWDZBQOSA-N 0 1 326.465 3.999 20 10 EHCDMN COc1ccc2c(c1)OCCN(Cc1cc(Cl)c(F)cc1O)C2 ZINC000816600538 1136740054 /nfs/dbraw/zinc/74/00/54/1136740054.db2.gz ALKHVJSERFKOSK-UHFFFAOYSA-N 0 1 337.778 3.588 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000817944136 1136849702 /nfs/dbraw/zinc/84/97/02/1136849702.db2.gz XNSPGNPKAVRYTD-QVKFZJNVSA-N 0 1 349.478 3.962 20 10 EHCDMN Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000858012429 1136930182 /nfs/dbraw/zinc/93/01/82/1136930182.db2.gz HCNREMGWEFMVNN-GFCCVEGCSA-N 0 1 336.794 3.541 20 10 EHCDMN CCOCc1ccccc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858091846 1136938698 /nfs/dbraw/zinc/93/86/98/1136938698.db2.gz IBJSRQIUQQHJJY-UHFFFAOYSA-N 0 1 334.410 3.857 20 10 EHCDMN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc2c(c1)OCO2 ZINC000858094235 1136939287 /nfs/dbraw/zinc/93/92/87/1136939287.db2.gz FAMBSSMMYCIDMN-LLVKDONJSA-N 0 1 334.366 3.610 20 10 EHCDMN CCN(Cc1ccccc1)c1ccc(CNCc2cnnn2CC)cc1 ZINC000858203491 1136949427 /nfs/dbraw/zinc/94/94/27/1136949427.db2.gz VSPNDJKNMKSBKU-UHFFFAOYSA-N 0 1 349.482 3.614 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858471011 1136970695 /nfs/dbraw/zinc/97/06/95/1136970695.db2.gz QKGZVEQOXVBFGU-JSGCOSHPSA-N 0 1 343.345 3.714 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000861729539 1137119185 /nfs/dbraw/zinc/11/91/85/1137119185.db2.gz YNFQLASHCCOGIB-NUEKZKHPSA-N 0 1 348.229 3.901 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000862403527 1137142935 /nfs/dbraw/zinc/14/29/35/1137142935.db2.gz RHMLKRLGVYOVRS-ZDUSSCGKSA-N 0 1 332.188 3.776 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000862403527 1137142936 /nfs/dbraw/zinc/14/29/36/1137142936.db2.gz RHMLKRLGVYOVRS-ZDUSSCGKSA-N 0 1 332.188 3.776 20 10 EHCDMN C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1c([O-])cccc1Cl ZINC000824501334 1137142007 /nfs/dbraw/zinc/14/20/07/1137142007.db2.gz HWFYPBVONIICFO-GFCCVEGCSA-N 0 1 342.867 3.829 20 10 EHCDMN Cc1ncc(C[N@@H+](C)Cc2ccc(Br)cc2[O-])s1 ZINC000824596897 1137144647 /nfs/dbraw/zinc/14/46/47/1137144647.db2.gz JXLCKBATWDSDAP-UHFFFAOYSA-N 0 1 327.247 3.552 20 10 EHCDMN Cc1ncc(C[N@H+](C)Cc2ccc(Br)cc2[O-])s1 ZINC000824596897 1137144648 /nfs/dbraw/zinc/14/46/48/1137144648.db2.gz JXLCKBATWDSDAP-UHFFFAOYSA-N 0 1 327.247 3.552 20 10 EHCDMN Cc1ncc(CN(C)Cc2ccc(Br)cc2O)s1 ZINC000824596897 1137144649 /nfs/dbraw/zinc/14/46/49/1137144649.db2.gz JXLCKBATWDSDAP-UHFFFAOYSA-N 0 1 327.247 3.552 20 10 EHCDMN CC(C)n1cc(C2=CCC[N@H+](Cc3cc(Cl)ccc3[O-])CC2)nn1 ZINC000824738350 1137148661 /nfs/dbraw/zinc/14/86/61/1137148661.db2.gz LSRBNRJYAVEIKL-UHFFFAOYSA-N 0 1 346.862 3.897 20 10 EHCDMN CC(C)n1cc(C2=CCC[N@@H+](Cc3cc(Cl)ccc3[O-])CC2)nn1 ZINC000824738350 1137148662 /nfs/dbraw/zinc/14/86/62/1137148662.db2.gz LSRBNRJYAVEIKL-UHFFFAOYSA-N 0 1 346.862 3.897 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862540461 1137149376 /nfs/dbraw/zinc/14/93/76/1137149376.db2.gz FWYRMBOHVLYEJR-ZDUSSCGKSA-N 0 1 348.240 3.850 20 10 EHCDMN Oc1cc2c(cc1O)CN(Cc1ccc(OCC(F)F)cc1)CCC2 ZINC001136940689 1137154186 /nfs/dbraw/zinc/15/41/86/1137154186.db2.gz JPDMNWIFVNXYKM-UHFFFAOYSA-N 0 1 349.377 3.690 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1Cl ZINC000825160078 1137168623 /nfs/dbraw/zinc/16/86/23/1137168623.db2.gz LQIFLDFKDXUDAZ-QGZVFWFLSA-N 0 1 346.858 3.663 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000825277533 1137172479 /nfs/dbraw/zinc/17/24/79/1137172479.db2.gz BPIDGOHUSUAQAH-KRWDZBQOSA-N 0 1 348.240 3.558 20 10 EHCDMN COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825315923 1137172512 /nfs/dbraw/zinc/17/25/12/1137172512.db2.gz ODVOCZPFQILHIW-MRXNPFEDSA-N 0 1 333.815 3.976 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000863739003 1137201583 /nfs/dbraw/zinc/20/15/83/1137201583.db2.gz GPGXBAUQQAFJDU-LPHOPBHVSA-N 0 1 332.488 3.856 20 10 EHCDMN C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000844921850 1137262884 /nfs/dbraw/zinc/26/28/84/1137262884.db2.gz VOAZPGAYPNLMJQ-SMDDNHRTSA-N 0 1 347.256 3.842 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000865654384 1137302278 /nfs/dbraw/zinc/30/22/78/1137302278.db2.gz OZUXMWFWNHLPFW-CQSZACIVSA-N 0 1 345.748 3.888 20 10 EHCDMN CCN(Cc1c(O)cc(O)cc1O)Cc1c(F)cccc1Cl ZINC001144515353 1137304299 /nfs/dbraw/zinc/30/42/99/1137304299.db2.gz KYGBKOCTRWFOAR-UHFFFAOYSA-N 0 1 325.767 3.618 20 10 EHCDMN COc1cc(OC)c(CN(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000845903116 1137319289 /nfs/dbraw/zinc/31/92/89/1137319289.db2.gz LPPAWCRFNLXSEX-UHFFFAOYSA-N 0 1 332.419 3.541 20 10 EHCDMN CCOCc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])ccc1OC ZINC000846057185 1137327453 /nfs/dbraw/zinc/32/74/53/1137327453.db2.gz DFXWVVRPNRJSIU-UHFFFAOYSA-N 0 1 335.831 3.881 20 10 EHCDMN COc1cccc([C@H](C)NCc2c(F)cccc2OC(F)F)c1O ZINC000846154222 1137336735 /nfs/dbraw/zinc/33/67/35/1137336735.db2.gz LRSOIVOZCAUPGO-JTQLQIEISA-N 0 1 341.329 3.992 20 10 EHCDMN C[C@H]1C[C@H](NCc2nn(C)cc2C(F)F)c2c1c(F)ccc2O ZINC000866564788 1137364913 /nfs/dbraw/zinc/36/49/13/1137364913.db2.gz BQHBGNQPQISGNC-KWQFWETISA-N 0 1 325.334 3.541 20 10 EHCDMN COC(=O)c1cnc2[nH]cc(NCc3cc4ccccc4cc3O)cc1-2 ZINC001171406636 1137473206 /nfs/dbraw/zinc/47/32/06/1137473206.db2.gz BSKKTTFRKAENPC-UHFFFAOYSA-N 0 1 347.374 3.820 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773257100 1137482200 /nfs/dbraw/zinc/48/22/00/1137482200.db2.gz COWFZTGSRSADTH-HZPDHXFCSA-N 0 1 326.440 3.579 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773257100 1137482202 /nfs/dbraw/zinc/48/22/02/1137482202.db2.gz COWFZTGSRSADTH-HZPDHXFCSA-N 0 1 326.440 3.579 20 10 EHCDMN CC(C)c1cc([C@@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)n[nH]1 ZINC000873328256 1137597523 /nfs/dbraw/zinc/59/75/23/1137597523.db2.gz PYGIDRYHAVFQES-CYBMUJFWSA-N 0 1 327.432 3.527 20 10 EHCDMN CO[C@@]1(C)CCC[N@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000825748506 1137621650 /nfs/dbraw/zinc/62/16/50/1137621650.db2.gz CZRSSJJXYCEOIA-HNNXBMFYSA-N 0 1 328.250 3.546 20 10 EHCDMN CO[C@@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000825748506 1137621651 /nfs/dbraw/zinc/62/16/51/1137621651.db2.gz CZRSSJJXYCEOIA-HNNXBMFYSA-N 0 1 328.250 3.546 20 10 EHCDMN Cc1ccc(CN(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)c(O)c1 ZINC000876660759 1137658565 /nfs/dbraw/zinc/65/85/65/1137658565.db2.gz HBLMHQCIRWEUPK-HXUWFJFHSA-N 0 1 339.414 3.795 20 10 EHCDMN Oc1ccccc1CN(Cc1nccn1CC(F)F)C1CCCC1 ZINC000878103968 1137702479 /nfs/dbraw/zinc/70/24/79/1137702479.db2.gz PCVNKTKCNUEBCU-UHFFFAOYSA-N 0 1 335.398 3.799 20 10 EHCDMN COc1ccc(CNCc2ccc(N(C)C)cc2C)c(F)c1OC ZINC000885988892 1138030618 /nfs/dbraw/zinc/03/06/18/1138030618.db2.gz RENDBYMCYVPPEN-UHFFFAOYSA-N 0 1 332.419 3.507 20 10 EHCDMN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)c(F)c1OC ZINC000886069750 1138037979 /nfs/dbraw/zinc/03/79/79/1138037979.db2.gz KKRCZJYSVHQIMS-CYBMUJFWSA-N 0 1 332.419 3.760 20 10 EHCDMN COc1c(C)cccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000826534456 1138195378 /nfs/dbraw/zinc/19/53/78/1138195378.db2.gz GQPLHNOTTSVBER-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN CCOc1ccc(O)c(CN(Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000092437261 1138227993 /nfs/dbraw/zinc/22/79/93/1138227993.db2.gz BZKQLFHMWDUWEC-SFHVURJKSA-N 0 1 331.412 3.565 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2nc3cc(Cl)ccc3n2C)c1 ZINC000182355839 1139967594 /nfs/dbraw/zinc/96/75/94/1139967594.db2.gz SWQYQXHMRQAVAB-NSHDSACASA-N 0 1 345.830 3.792 20 10 EHCDMN COC[C@@H](NCc1cc(Br)cc(C)c1O)c1ccco1 ZINC000182530869 1139978735 /nfs/dbraw/zinc/97/87/35/1139978735.db2.gz PDPGDZVGZAIJIC-CYBMUJFWSA-N 0 1 340.217 3.533 20 10 EHCDMN C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)ccc1[O-] ZINC000184966721 1140128358 /nfs/dbraw/zinc/12/83/58/1140128358.db2.gz QSPQSFPGGOTBPJ-GFCCVEGCSA-N 0 1 348.830 3.594 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000185783377 1140169254 /nfs/dbraw/zinc/16/92/54/1140169254.db2.gz GNYXBVOEJFCEFK-WDEREUQCSA-N 0 1 328.250 3.620 20 10 EHCDMN Cc1cc(N[C@H](C)c2ccc(F)c(F)c2O)ccc1N1CCOCC1 ZINC000187911904 1140276262 /nfs/dbraw/zinc/27/62/62/1140276262.db2.gz JZANEVIWOJZHGQ-CYBMUJFWSA-N 0 1 348.393 3.989 20 10 EHCDMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271225209 1141329162 /nfs/dbraw/zinc/32/91/62/1141329162.db2.gz QNUCHOPFKYYBGP-BSEYFRJRSA-N 0 1 348.487 3.822 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000038044129 202091151 /nfs/dbraw/zinc/09/11/51/202091151.db2.gz MOEGBCAZLPZGNY-SMDDNHRTSA-N 0 1 328.250 3.622 20 10 EHCDMN Cc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)oc1C(=O)[O-] ZINC000738382386 600317756 /nfs/dbraw/zinc/31/77/56/600317756.db2.gz HJNYRFYCIBUWFE-UHFFFAOYSA-N 0 1 329.396 3.937 20 10 EHCDMN CC[C@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCS1 ZINC000829148942 600718140 /nfs/dbraw/zinc/71/81/40/600718140.db2.gz BGJBNWYNTDPFQH-ZDUSSCGKSA-N 0 1 331.437 3.571 20 10 EHCDMN CC(C)c1ccc(O)c(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1 ZINC001591974369 976588818 /nfs/dbraw/zinc/58/88/18/976588818.db2.gz SHPAUVIHIBOZQK-UHFFFAOYSA-N 0 1 327.424 3.993 20 10 EHCDMN C[C@H](NCc1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000153923731 1014559987 /nfs/dbraw/zinc/55/99/87/1014559987.db2.gz SEMRLSZHXCTIAV-AWEZNQCLSA-N 0 1 332.394 3.652 20 10 EHCDMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000168243025 1016836904 /nfs/dbraw/zinc/83/69/04/1016836904.db2.gz CFELZKNCQXVQHB-OLZOCXBDSA-N 0 1 347.434 3.679 20 10 EHCDMN Cc1csc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000162286687 1017776977 /nfs/dbraw/zinc/77/69/77/1017776977.db2.gz PPHUGMUOZGNXKD-CABCVRRESA-N 0 1 331.485 3.700 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000328461133 1017925066 /nfs/dbraw/zinc/92/50/66/1017925066.db2.gz USYJHZYHFGULNZ-TZMCWYRMSA-N 0 1 328.250 3.763 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)CCCCO)c1cc(Br)ccc1[O-] ZINC000295861504 1020554032 /nfs/dbraw/zinc/55/40/32/1020554032.db2.gz BNQYCNHYNHIQFK-RISCZKNCSA-N 0 1 330.266 3.747 20 10 EHCDMN COCCOc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000891595976 1022071335 /nfs/dbraw/zinc/07/13/35/1022071335.db2.gz HNCNHEBJNOVXPJ-UHFFFAOYSA-N 0 1 344.455 3.535 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179950935 1123905667 /nfs/dbraw/zinc/90/56/67/1123905667.db2.gz ZNMDENQMEWBZSL-SNVBAGLBSA-N 0 1 338.167 3.929 20 10 EHCDMN Cc1cc(O)c(CN2CCN(Cc3ccncc3)CC2)cc1C(C)C ZINC000022781285 1023802422 /nfs/dbraw/zinc/80/24/22/1023802422.db2.gz XUJAEKYPTLLPLQ-UHFFFAOYSA-N 0 1 339.483 3.537 20 10 EHCDMN O=C(C1CCN(Cc2cc(Cl)c(F)cc2O)CC1)C(F)(F)F ZINC000294821744 1024599776 /nfs/dbraw/zinc/59/97/76/1024599776.db2.gz XPIDMDSDHPTLEI-UHFFFAOYSA-N 0 1 339.716 3.528 20 10 EHCDMN CC[N@H+](CCC(=O)OC)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000738096004 1025931705 /nfs/dbraw/zinc/93/17/05/1025931705.db2.gz FZVAOWXILDEFCP-UHFFFAOYSA-N 0 1 327.380 3.677 20 10 EHCDMN CC[N@@H+](CCC(=O)OC)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000738096004 1025931716 /nfs/dbraw/zinc/93/17/16/1025931716.db2.gz FZVAOWXILDEFCP-UHFFFAOYSA-N 0 1 327.380 3.677 20 10 EHCDMN COc1cc2c(cc1CNCc1c(C)c3ccccc3n1C)OCO2 ZINC000475193138 1026358304 /nfs/dbraw/zinc/35/83/04/1026358304.db2.gz SAHBLJXRDZJOQM-UHFFFAOYSA-N 0 1 338.407 3.514 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])[C@H](O)C(C)C ZINC000840882145 1027274757 /nfs/dbraw/zinc/27/47/57/1027274757.db2.gz MNYKFMDNYFLHJB-VZJVUDMVSA-N 0 1 330.266 3.601 20 10 EHCDMN CNC(=O)C1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000273461066 1027439220 /nfs/dbraw/zinc/43/92/20/1027439220.db2.gz CTQZQQVUPLARLM-IUDNXUCKSA-N 0 1 326.440 3.501 20 10 EHCDMN C[C@@H]([NH2+]CCCc1nccs1)c1cc(Br)ccc1[O-] ZINC000273481167 1027451294 /nfs/dbraw/zinc/45/12/94/1027451294.db2.gz LZBQOEWSHKGELK-SNVBAGLBSA-N 0 1 341.274 3.895 20 10 EHCDMN C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(Br)cc1[O-] ZINC000273612626 1027517742 /nfs/dbraw/zinc/51/77/42/1027517742.db2.gz WQRVDPLFOBFKFI-GFCCVEGCSA-N 0 1 342.277 3.748 20 10 EHCDMN C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(Cl)ccc1[O-] ZINC000278158769 1029396376 /nfs/dbraw/zinc/39/63/76/1029396376.db2.gz AGIDIMOGEWENFR-MRVPVSSYSA-N 0 1 329.721 3.613 20 10 EHCDMN CCOCc1cc(CN[C@@H](CCOC)c2ccco2)ccc1OC ZINC000272635556 1029542950 /nfs/dbraw/zinc/54/29/50/1029542950.db2.gz YLIGGLPRTHJBCR-KRWDZBQOSA-N 0 1 333.428 3.692 20 10 EHCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H]2C2CC2)c1O ZINC000728561854 1029645251 /nfs/dbraw/zinc/64/52/51/1029645251.db2.gz BPIXTMIHXUQLFV-SFHVURJKSA-N 0 1 325.408 3.706 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898324600 1033434826 /nfs/dbraw/zinc/43/48/26/1033434826.db2.gz ITGCMQGTKOLCBQ-INIZCTEOSA-N 0 1 333.229 3.791 20 10 EHCDMN CCc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000063824292 1033752825 /nfs/dbraw/zinc/75/28/25/1033752825.db2.gz FJGLQHZMEUGLBQ-VBKFSLOCSA-N 0 1 346.521 3.544 20 10 EHCDMN CCC(CC)[C@H](O)C[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000229554281 1034247778 /nfs/dbraw/zinc/24/77/78/1034247778.db2.gz OMTJCKRCMJLNOQ-GOEBONIOSA-N 0 1 344.293 3.993 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000229555534 1034249058 /nfs/dbraw/zinc/24/90/58/1034249058.db2.gz UOSBHZWMXIRFOW-TZMCWYRMSA-N 0 1 344.293 3.993 20 10 EHCDMN CC(C)(C)c1ncc2c(n1)CCN(Cc1c(O)ccc(Cl)c1F)C2 ZINC000529641182 1034332438 /nfs/dbraw/zinc/33/24/38/1034332438.db2.gz JOMDJXDZNQGKIB-UHFFFAOYSA-N 0 1 349.837 3.831 20 10 EHCDMN 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ZINC000805360225 1135917811 /nfs/dbraw/zinc/91/78/11/1135917811.db2.gz BUAZVQZKUWLMJZ-GFCCVEGCSA-N 0 1 329.227 3.831 20 10 EHCDMN CC[C@H]([NH2+][C@@H](CCO)CSC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220091 1135939720 /nfs/dbraw/zinc/93/97/20/1135939720.db2.gz PHJSTHVABPTHMZ-AAEUAGOBSA-N 0 1 337.407 3.566 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209907 1135943664 /nfs/dbraw/zinc/94/36/64/1135943664.db2.gz LGTGCGKBGSCHCL-TZMCWYRMSA-N 0 1 329.318 3.778 20 10 EHCDMN CC[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237509 1135946325 /nfs/dbraw/zinc/94/63/25/1135946325.db2.gz UNBRAZQQAMPQRH-ZDUSSCGKSA-N 0 1 333.350 3.605 20 10 EHCDMN CC[C@H]([NH2+]CCOC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239134 1135946437 /nfs/dbraw/zinc/94/64/37/1135946437.db2.gz RYEWOFGATYWZMO-JTQLQIEISA-N 0 1 331.256 3.988 20 10 EHCDMN COCc1nc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)cs1 ZINC000810253104 1135948928 /nfs/dbraw/zinc/94/89/28/1135948928.db2.gz LNYRDTLIQBWXNZ-LBPRGKRZSA-N 0 1 332.469 3.725 20 10 EHCDMN CC[N@H+](Cc1cnccc1C)Cc1cc(Br)ccc1[O-] ZINC000747619914 1135985676 /nfs/dbraw/zinc/98/56/76/1135985676.db2.gz URKKKNRZDJTPJP-UHFFFAOYSA-N 0 1 335.245 3.880 20 10 EHCDMN CC[N@@H+](Cc1cnccc1C)Cc1cc(Br)ccc1[O-] ZINC000747619914 1135985679 /nfs/dbraw/zinc/98/56/79/1135985679.db2.gz URKKKNRZDJTPJP-UHFFFAOYSA-N 0 1 335.245 3.880 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811519679 1136098156 /nfs/dbraw/zinc/09/81/56/1136098156.db2.gz BOSALZZELOGQGO-GFCCVEGCSA-N 0 1 346.645 3.996 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1c(F)ccc(O)c1F ZINC000811530088 1136099493 /nfs/dbraw/zinc/09/94/93/1136099493.db2.gz UZESEPSLUHYFEC-UHFFFAOYSA-N 0 1 348.132 3.613 20 10 EHCDMN Fc1ccc(NCc2ccc(N3CCCC3)cc2)cc1-c1nc[nH]n1 ZINC001202388228 1136132006 /nfs/dbraw/zinc/13/20/06/1136132006.db2.gz RHKVOTMSZRQLQP-UHFFFAOYSA-N 0 1 337.402 3.823 20 10 EHCDMN CC[C@@H](CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC001133127277 1136167968 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ZINC000775525971 1135010980 /nfs/dbraw/zinc/01/09/80/1135010980.db2.gz HKCLCWBSKUCQBH-INIZCTEOSA-N 0 1 327.852 3.672 20 10 EHCDMN CC[N@H+](CCOC1CCC1)Cc1cc(Br)ccc1[O-] ZINC000805743417 1135324071 /nfs/dbraw/zinc/32/40/71/1135324071.db2.gz UAPBHAITLXMJEU-UHFFFAOYSA-N 0 1 328.250 3.546 20 10 EHCDMN CC[N@@H+](CCOC1CCC1)Cc1cc(Br)ccc1[O-] ZINC000805743417 1135324075 /nfs/dbraw/zinc/32/40/75/1135324075.db2.gz UAPBHAITLXMJEU-UHFFFAOYSA-N 0 1 328.250 3.546 20 10 EHCDMN CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775686310 1135511365 /nfs/dbraw/zinc/51/13/65/1135511365.db2.gz HPCMMVUDUGHJTG-QGZVFWFLSA-N 0 1 347.842 3.652 20 10 EHCDMN Cc1ccc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000807835546 1135579772 /nfs/dbraw/zinc/57/97/72/1135579772.db2.gz GUTLPAYOQXXQNE-UHFFFAOYSA-N 0 1 328.195 3.849 20 10 EHCDMN CC[C@H]1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000807835204 1135580537 /nfs/dbraw/zinc/58/05/37/1135580537.db2.gz ABDOJRWYHGFLEH-CABZTGNLSA-N 0 1 332.227 3.520 20 10 EHCDMN 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EHCDMN COc1ccccc1-c1cc(CNCc2ccc3c(c2)CCO3)on1 ZINC000850421375 1136255663 /nfs/dbraw/zinc/25/56/63/1136255663.db2.gz XDSVSFMRQWMIOR-UHFFFAOYSA-N 0 1 336.391 3.575 20 10 EHCDMN CC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(C(F)(F)F)cc1O ZINC000850499426 1136271995 /nfs/dbraw/zinc/27/19/95/1136271995.db2.gz PHLVAGGWYQXBQZ-TVYUQYBPSA-N 0 1 340.349 3.749 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(Cl)ccc1[O-] ZINC000850501507 1136272502 /nfs/dbraw/zinc/27/25/02/1136272502.db2.gz NMRIQJXZXDOIOL-HGYXMXBYSA-N 0 1 329.893 3.776 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc2ccccc2c1[O-] ZINC000850500616 1136272967 /nfs/dbraw/zinc/27/29/67/1136272967.db2.gz FLUKHECXHZJVPL-WLVPTWKASA-N 0 1 331.481 3.886 20 10 EHCDMN CC[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(Cl)ccc1[O-] ZINC000850533243 1136280601 /nfs/dbraw/zinc/28/06/01/1136280601.db2.gz TXKJOPZVRZTKPH-YUELXQCFSA-N 0 1 331.790 3.901 20 10 EHCDMN O=C(/C=C/c1cncc(F)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000813683209 1136356234 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[O-]c1c(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)ccc2ccccc12 ZINC000816516299 1136730280 /nfs/dbraw/zinc/73/02/80/1136730280.db2.gz ARVOHPFQEFUXTL-QGZVFWFLSA-N 0 1 339.357 3.681 20 10 EHCDMN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569896 1136738407 /nfs/dbraw/zinc/73/84/07/1136738407.db2.gz AGGHMMZLGHJHON-GFCCVEGCSA-N 0 1 343.826 3.738 20 10 EHCDMN C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc3ccccc3c1[O-])C[C@H](C)O2 ZINC000816598216 1136739663 /nfs/dbraw/zinc/73/96/63/1136739663.db2.gz SZLZLODJKUYLCJ-VWKPWSFCSA-N 0 1 341.451 3.704 20 10 EHCDMN C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc3ccccc3c1[O-])C[C@H](C)O2 ZINC000816598216 1136739666 /nfs/dbraw/zinc/73/96/66/1136739666.db2.gz SZLZLODJKUYLCJ-VWKPWSFCSA-N 0 1 341.451 3.704 20 10 EHCDMN CN(C)c1ccc(CNCc2ccc(F)cc2Br)cc1 ZINC000218234206 1136770647 /nfs/dbraw/zinc/77/06/47/1136770647.db2.gz KDGZUYCVRNMJSL-UHFFFAOYSA-N 0 1 337.236 3.944 20 10 EHCDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000817880748 1136843477 /nfs/dbraw/zinc/84/34/77/1136843477.db2.gz GCNRIRHJDGPMNU-WMLDXEAASA-N 0 1 325.408 3.744 20 10 EHCDMN Cc1cc(N)cc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c1 ZINC000817981540 1136854893 /nfs/dbraw/zinc/85/48/93/1136854893.db2.gz SZIDDOGMPJXHHJ-NSHDSACASA-N 0 1 335.245 3.896 20 10 EHCDMN Cc1cc(N)cc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c1 ZINC000817979571 1136854928 /nfs/dbraw/zinc/85/49/28/1136854928.db2.gz CAIKMUXHVHPXKO-NSHDSACASA-N 0 1 335.245 3.896 20 10 EHCDMN C[C@@H](CCc1cccn1C)[NH2+]Cc1c([O-])cccc1Br ZINC000858146688 1136943731 /nfs/dbraw/zinc/94/37/31/1136943731.db2.gz LHTAGBQJVBHASH-LBPRGKRZSA-N 0 1 337.261 3.604 20 10 EHCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)c1cccnc1 ZINC000858179257 1136946981 /nfs/dbraw/zinc/94/69/81/1136946981.db2.gz KDYRXKWYNUROAZ-UHFFFAOYSA-N 0 1 335.245 3.617 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000858186195 1136947566 /nfs/dbraw/zinc/94/75/66/1136947566.db2.gz UGRQJMOIRSBIII-CVEARBPZSA-N 0 1 340.261 3.592 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000858186196 1136947574 /nfs/dbraw/zinc/94/75/74/1136947574.db2.gz UGRQJMOIRSBIII-HOTGVXAUSA-N 0 1 340.261 3.592 20 10 EHCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cc(CO)ccc1F ZINC000859059973 1137001567 /nfs/dbraw/zinc/00/15/67/1137001567.db2.gz MCXQQSPFAARZJC-UHFFFAOYSA-N 0 1 342.458 3.940 20 10 EHCDMN CN(C)c1c(F)c(F)ccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000862403683 1137143032 /nfs/dbraw/zinc/14/30/32/1137143032.db2.gz UTJYJYAQABNJBK-UHFFFAOYSA-N 0 1 326.774 3.680 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000824855680 1137154709 /nfs/dbraw/zinc/15/47/09/1137154709.db2.gz ORIGYRIROUUZNV-MRXNPFEDSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000824855680 1137154710 /nfs/dbraw/zinc/15/47/10/1137154710.db2.gz ORIGYRIROUUZNV-MRXNPFEDSA-N 0 1 340.261 3.547 20 10 EHCDMN COc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])c(C)c1 ZINC000825365963 1137174938 /nfs/dbraw/zinc/17/49/38/1137174938.db2.gz PKZVDJGHQHMDIA-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000844720118 1137247903 /nfs/dbraw/zinc/24/79/03/1137247903.db2.gz JGLATEXLJHTLSS-UHFFFAOYSA-N 0 1 340.320 3.807 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000844921849 1137263052 /nfs/dbraw/zinc/26/30/52/1137263052.db2.gz VOAZPGAYPNLMJQ-RISCZKNCSA-N 0 1 347.256 3.842 20 10 EHCDMN Cc1cc(Br)cc([C@H](C)NCc2cccnc2F)c1O ZINC000794838109 1137280245 /nfs/dbraw/zinc/28/02/45/1137280245.db2.gz WXLYCTSMYXDAMA-JTQLQIEISA-N 0 1 339.208 3.848 20 10 EHCDMN Oc1ccc(Br)cc1CNc1cc(OC(F)F)ccn1 ZINC001171176660 1137286609 /nfs/dbraw/zinc/28/66/09/1137286609.db2.gz UQNRRZUTYCTESM-UHFFFAOYSA-N 0 1 345.143 3.763 20 10 EHCDMN COc1ccc(CN[C@H](CO)c2cccc(C(F)(F)F)c2)cc1C ZINC000865653181 1137301884 /nfs/dbraw/zinc/30/18/84/1137301884.db2.gz CROAJNNYHLQWCD-MRXNPFEDSA-N 0 1 339.357 3.846 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000865725480 1137307062 /nfs/dbraw/zinc/30/70/62/1137307062.db2.gz JFERZRCMXVODFV-UHFFFAOYSA-N 0 1 348.240 3.517 20 10 EHCDMN CC(C)(C)c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000865814868 1137313703 /nfs/dbraw/zinc/31/37/03/1137313703.db2.gz PFGDNGWONNSIFU-UHFFFAOYSA-N 0 1 346.446 3.843 20 10 EHCDMN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000846056676 1137327295 /nfs/dbraw/zinc/32/72/95/1137327295.db2.gz WPJKGYSZCBWDOZ-NILFDRSVSA-N 0 1 325.836 3.503 20 10 EHCDMN CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000846184455 1137340322 /nfs/dbraw/zinc/34/03/22/1137340322.db2.gz PRFMMNXBMGEJJK-MISXGVKJSA-N 0 1 330.266 3.602 20 10 EHCDMN COc1ccc(OC)c([C@H](C)NCc2ccc(N(C)C)c(C)c2)c1 ZINC000773002754 1137458100 /nfs/dbraw/zinc/45/81/00/1137458100.db2.gz YBMVNPOKMVMQIU-HNNXBMFYSA-N 0 1 328.456 3.929 20 10 EHCDMN CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001172332469 1137551351 /nfs/dbraw/zinc/55/13/51/1137551351.db2.gz DSYSQUGRXRXVJA-RYUDHWBXSA-N 0 1 330.266 3.838 20 10 EHCDMN CCCOc1ccc(C[NH2+][C@@H](C)c2nc(C(=O)[O-])cs2)cc1C ZINC000871874777 1137561725 /nfs/dbraw/zinc/56/17/25/1137561725.db2.gz VOGZXIGRFSMYAT-LBPRGKRZSA-N 0 1 334.441 3.789 20 10 EHCDMN C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(Br)cc2[O-])C[C@H](C)O1 ZINC000825803876 1137636345 /nfs/dbraw/zinc/63/63/45/1137636345.db2.gz LFJJJRMBCXADQQ-CLLJXQQHSA-N 0 1 342.277 3.838 20 10 EHCDMN [O-]c1c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc(F)c1F ZINC000876531567 1137654641 /nfs/dbraw/zinc/65/46/41/1137654641.db2.gz JONONGWCGJCSNY-HNNXBMFYSA-N 0 1 349.377 3.557 20 10 EHCDMN CC(C)CNC(=O)c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877493185 1137678417 /nfs/dbraw/zinc/67/84/17/1137678417.db2.gz AAOFGJWZOWINLE-UHFFFAOYSA-N 0 1 334.366 3.668 20 10 EHCDMN COc1ccc(OC)c([C@@H](C)NCc2ccc3c(c2)CCCN3C)c1 ZINC000126676377 1137686438 /nfs/dbraw/zinc/68/64/38/1137686438.db2.gz XHBKQVPIUARMLS-OAHLLOKOSA-N 0 1 340.467 3.937 20 10 EHCDMN CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(F)c(F)c1O ZINC000877847531 1137693201 /nfs/dbraw/zinc/69/32/01/1137693201.db2.gz BFCUXKJWXCTGOM-HNNXBMFYSA-N 0 1 338.741 3.910 20 10 EHCDMN Oc1ccccc1CN(Cc1nc(C2CCC2)no1)C1CCCC1 ZINC000878103969 1137702470 /nfs/dbraw/zinc/70/24/70/1137702470.db2.gz PEBDKCCDCBJGEY-UHFFFAOYSA-N 0 1 327.428 3.988 20 10 EHCDMN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879888462 1137761929 /nfs/dbraw/zinc/76/19/29/1137761929.db2.gz LKJQPVSOUUTLFO-KUHUBIRLSA-N 0 1 341.455 3.610 20 10 EHCDMN C[NH+](C)[C@@H]1CCOc2c(NCc3cc(F)cc(F)c3[O-])cccc21 ZINC000883106099 1137844808 /nfs/dbraw/zinc/84/48/08/1137844808.db2.gz HZMNFDABELFVGI-MRXNPFEDSA-N 0 1 334.366 3.668 20 10 EHCDMN CCN(C)c1ccc([C@H](C)NCc2ccnc(-c3ccccn3)n2)cc1 ZINC000883293480 1137853352 /nfs/dbraw/zinc/85/33/52/1137853352.db2.gz USYRPGNICYAGIK-INIZCTEOSA-N 0 1 347.466 3.846 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886300201 1138065674 /nfs/dbraw/zinc/06/56/74/1138065674.db2.gz BOLBWWBXPIBXOW-AWEZNQCLSA-N 0 1 339.863 3.501 20 10 EHCDMN CCc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000151551301 1139042957 /nfs/dbraw/zinc/04/29/57/1139042957.db2.gz GIYPPDHQEDVFJG-CQSZACIVSA-N 0 1 346.446 3.793 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1[O-] ZINC000185058923 1140134657 /nfs/dbraw/zinc/13/46/57/1140134657.db2.gz KJMMVEXVAJOPSB-QWRGUYRKSA-N 0 1 336.785 3.580 20 10 EHCDMN C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(Br)cc1[O-] ZINC000186532362 1140208404 /nfs/dbraw/zinc/20/84/04/1140208404.db2.gz DNEDQNNAYWPVDM-ZWNOBZJWSA-N 0 1 340.217 3.522 20 10 EHCDMN OC1CCN(c2ccc(CN[C@H]3CCCc4occc43)cc2F)CC1 ZINC000192723366 1140547196 /nfs/dbraw/zinc/54/71/96/1140547196.db2.gz CYNHEBKMQQNOPT-SFHVURJKSA-N 0 1 344.430 3.547 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc2ccccc2c1[O-] ZINC000192814066 1140551697 /nfs/dbraw/zinc/55/16/97/1140551697.db2.gz PUQIYUOUXNOIFP-NVXWUHKLSA-N 0 1 348.450 3.655 20 10 EHCDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cncs1 ZINC000268778694 1140989066 /nfs/dbraw/zinc/98/90/66/1140989066.db2.gz CEJYXQBITSSMSA-MJBXVCDLSA-N 0 1 349.475 3.747 20 10 EHCDMN CCc1ccc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000268832866 1141002726 /nfs/dbraw/zinc/00/27/26/1141002726.db2.gz LCLVWUURPZMTKJ-MRXNPFEDSA-N 0 1 342.483 3.902 20 10 EHCDMN CC[C@H]([NH2+]CCN(C)C(C)C)c1cc(Br)ccc1[O-] ZINC000054110943 214216555 /nfs/dbraw/zinc/21/65/55/214216555.db2.gz QHURETTYXXJOFW-AWEZNQCLSA-N 0 1 329.282 3.536 20 10 EHCDMN CCN(C)c1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC001596194484 983577386 /nfs/dbraw/zinc/57/73/86/983577386.db2.gz NYVCZWGLXWRZHL-UHFFFAOYSA-N 0 1 346.858 3.883 20 10 EHCDMN C[C@@H](c1nc(C(=O)[O-])co1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001593724102 996262608 /nfs/dbraw/zinc/26/26/08/996262608.db2.gz CFYISKSQQMBGGA-AWEZNQCLSA-N 0 1 343.427 3.556 20 10 EHCDMN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001593724102 996262614 /nfs/dbraw/zinc/26/26/14/996262614.db2.gz CFYISKSQQMBGGA-AWEZNQCLSA-N 0 1 343.427 3.556 20 10 EHCDMN CCOC1(C[NH2+]Cc2cc(Br)ccc2[O-])CCCC1 ZINC000311735677 1016929707 /nfs/dbraw/zinc/92/97/07/1016929707.db2.gz RYIKDHLZZZTBFH-UHFFFAOYSA-N 0 1 328.250 3.594 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000328461132 1017925412 /nfs/dbraw/zinc/92/54/12/1017925412.db2.gz USYJHZYHFGULNZ-OCCSQVGLSA-N 0 1 328.250 3.763 20 10 EHCDMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000069751519 1020799740 /nfs/dbraw/zinc/79/97/40/1020799740.db2.gz ZAWMGSMWBKUDJF-WMLDXEAASA-N 0 1 344.430 3.669 20 10 EHCDMN COc1ccnc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000760453386 1032963586 /nfs/dbraw/zinc/96/35/86/1032963586.db2.gz QQRZKQCMWRTWTI-UHFFFAOYSA-N 0 1 342.399 3.601 20 10 EHCDMN COc1ccc(C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)c(O)c1OC ZINC000894863461 1021512620 /nfs/dbraw/zinc/51/26/20/1021512620.db2.gz RLAPGDHGZJEUOO-CYBMUJFWSA-N 0 1 333.403 3.612 20 10 EHCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1nnc(C2CC2)s1 ZINC000894939588 1022274318 /nfs/dbraw/zinc/27/43/18/1022274318.db2.gz LVXIEQPNSDZOCV-ZDUSSCGKSA-N 0 1 330.501 3.511 20 10 EHCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000894940820 1022277326 /nfs/dbraw/zinc/27/73/26/1022277326.db2.gz WMEPNZAEOYNCBO-CQSZACIVSA-N 0 1 332.517 3.757 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000128440867 1022435808 /nfs/dbraw/zinc/43/58/08/1022435808.db2.gz XJEFHVVRCZFPPA-GYSYKLTISA-N 0 1 328.250 3.620 20 10 EHCDMN COc1cc(O)c(CN[C@@H]2c3ccccc3CC[C@@H]2F)cc1OC ZINC000895692242 1024728081 /nfs/dbraw/zinc/72/80/81/1024728081.db2.gz UQHXCNBKFIHRAN-HNAYVOBHSA-N 0 1 331.387 3.525 20 10 EHCDMN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000897045589 1026265397 /nfs/dbraw/zinc/26/53/97/1026265397.db2.gz SVAJHDJOFWOHLO-ZBFHGGJFSA-N 0 1 337.423 3.917 20 10 EHCDMN Cc1nc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cs1 ZINC000273444753 1027430531 /nfs/dbraw/zinc/43/05/31/1027430531.db2.gz ZQBACZIGZAYBNF-VIFPVBQESA-N 0 1 341.274 3.813 20 10 EHCDMN CC[C@H](N[C@@H](C)c1cc(C)ccc1O)c1nnc2n1CCCCC2 ZINC000273462972 1027442186 /nfs/dbraw/zinc/44/21/86/1027442186.db2.gz DDCDHUITVAKFCS-HOCLYGCPSA-N 0 1 328.460 3.820 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc2ccccc2c1[O-] ZINC000273539504 1027481004 /nfs/dbraw/zinc/48/10/04/1027481004.db2.gz XZUBCVBYNYWTJU-GOEBONIOSA-N 0 1 327.424 3.882 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(Cl)ccc1[O-] ZINC000528003216 1031567154 /nfs/dbraw/zinc/56/71/54/1031567154.db2.gz OPYQEOTVCPEJPS-IRXDYDNUSA-N 0 1 344.842 3.913 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(Cl)ccc1[O-] ZINC000528003219 1031568874 /nfs/dbraw/zinc/56/88/74/1031568874.db2.gz OPYQEOTVCPEJPS-SJORKVTESA-N 0 1 344.842 3.913 20 10 EHCDMN C[C@@H]1CCCN(c2ccc(CNCc3ccnn3C)cc2Cl)C1 ZINC000282022720 1031989385 /nfs/dbraw/zinc/98/93/85/1031989385.db2.gz NPYFKRZXXPLNHK-CQSZACIVSA-N 0 1 332.879 3.600 20 10 EHCDMN C[C@@H](Cc1ccsc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227438894 1034006807 /nfs/dbraw/zinc/00/68/07/1034006807.db2.gz HWUZMJVHMXYESD-JTQLQIEISA-N 0 1 326.259 3.937 20 10 EHCDMN COc1ccc(CN(C)Cc2cc(Cl)cc(OC)c2O)cc1F ZINC000761182494 1034274069 /nfs/dbraw/zinc/27/40/69/1034274069.db2.gz GCZSPUZMJSZSIU-UHFFFAOYSA-N 0 1 339.794 3.834 20 10 EHCDMN CCOc1cccc(CNCc2ccsc2Br)c1O ZINC000282335473 1035679382 /nfs/dbraw/zinc/67/93/82/1035679382.db2.gz VNDGUGQLTVJBOP-UHFFFAOYSA-N 0 1 342.258 3.905 20 10 EHCDMN C[C@@H](NCc1c(O)ccc(Cl)c1F)c1cn(-c2ccccc2)nn1 ZINC000191332741 1036367949 /nfs/dbraw/zinc/36/79/49/1036367949.db2.gz NHYPGTNTWYBEJC-LLVKDONJSA-N 0 1 346.793 3.616 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cc(Br)ccc1[O-] ZINC000756381176 1038283927 /nfs/dbraw/zinc/28/39/27/1038283927.db2.gz YAXNBERZVXUPFU-SMDDNHRTSA-N 0 1 348.240 3.809 20 10 EHCDMN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N1CCOCC1 ZINC000184915576 1038954984 /nfs/dbraw/zinc/95/49/84/1038954984.db2.gz IQBWVXIBSVDVLX-OXQOHEQNSA-N 0 1 342.483 3.553 20 10 EHCDMN CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756536712 1040168667 /nfs/dbraw/zinc/16/86/67/1040168667.db2.gz SYDGKTMKQZWPMK-VXGBXAGGSA-N 0 1 329.282 3.536 20 10 EHCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cc(C)sc1C ZINC000192155408 1040756288 /nfs/dbraw/zinc/75/62/88/1040756288.db2.gz FVSLYIJWPXVKDM-UHFFFAOYSA-N 0 1 329.468 3.593 20 10 EHCDMN Cn1cnnc1[C@@H]1CCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000093809857 1042543186 /nfs/dbraw/zinc/54/31/86/1042543186.db2.gz RLWYTBZYLUGLKX-SFHVURJKSA-N 0 1 334.423 3.525 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN1CCS[C@@H](C(F)(F)F)C1 ZINC001207564095 1042860465 /nfs/dbraw/zinc/86/04/65/1042860465.db2.gz JVMWVBWAXMMKAA-SNVBAGLBSA-N 0 1 329.746 3.664 20 10 EHCDMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H](C)c3cc(C)ccc3O)n2)c1 ZINC000279151413 1043460640 /nfs/dbraw/zinc/46/06/40/1043460640.db2.gz AQWDOFSSELKJFJ-KBPBESRZSA-N 0 1 337.427 3.601 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1csc(Cl)n1 ZINC000807840033 1135576094 /nfs/dbraw/zinc/57/60/94/1135576094.db2.gz VTWLBQOGQFIHQC-UHFFFAOYSA-N 0 1 337.615 3.739 20 10 EHCDMN C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(Br)cc1[O-] ZINC000817587427 1136825818 /nfs/dbraw/zinc/82/58/18/1136825818.db2.gz WWCIZVUVPUMVLU-NSHDSACASA-N 0 1 328.250 3.501 20 10 EHCDMN C[C@H](C[N@H+](C)Cc1cc(Br)ccc1[O-])c1nccs1 ZINC000183258010 1140024290 /nfs/dbraw/zinc/02/42/90/1140024290.db2.gz WADSWFBSMIAJOE-SNVBAGLBSA-N 0 1 341.274 3.847 20 10 EHCDMN C[C@H](C[N@@H+](C)Cc1cc(Br)ccc1[O-])c1nccs1 ZINC000183258010 1140024298 /nfs/dbraw/zinc/02/42/98/1140024298.db2.gz WADSWFBSMIAJOE-SNVBAGLBSA-N 0 1 341.274 3.847 20 10 EHCDMN Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1C ZINC001462313199 1126197545 /nfs/dbraw/zinc/19/75/45/1126197545.db2.gz PFHGCGMCAZHGRJ-QGZVFWFLSA-N 0 1 333.859 3.664 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c(Cl)c1 ZINC001658073377 1126261694 /nfs/dbraw/zinc/26/16/94/1126261694.db2.gz XKDMOCZSAPCERZ-MRXNPFEDSA-N 0 1 333.859 3.664 20 10 EHCDMN COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185097923 1126758278 /nfs/dbraw/zinc/75/82/78/1126758278.db2.gz AVRRKFFRKIKQCJ-LIRRHRJNSA-N 0 1 337.419 3.938 20 10 EHCDMN C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc2ccccc2c1[O-] ZINC000185353762 1126876075 /nfs/dbraw/zinc/87/60/75/1126876075.db2.gz DZPOEARXCIHNQZ-OAHLLOKOSA-N 0 1 344.418 3.977 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000186086121 1127254280 /nfs/dbraw/zinc/25/42/80/1127254280.db2.gz SGBGKIHWGYLBGZ-DZGCQCFKSA-N 0 1 326.440 3.595 20 10 EHCDMN CCCOc1ccc(CN[C@@H](C)C(=O)NCc2ccccc2)cc1C ZINC001648927522 1120225005 /nfs/dbraw/zinc/22/50/05/1120225005.db2.gz YKYPRJNEOGZCJS-KRWDZBQOSA-N 0 1 340.467 3.578 20 10 EHCDMN COC[C@H](C)NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000916570974 1122200065 /nfs/dbraw/zinc/20/00/65/1122200065.db2.gz JWVSFXMSHFWVJQ-AWEZNQCLSA-N 0 1 326.400 3.665 20 10 EHCDMN CCOc1ccc(O)c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000154294913 1122535354 /nfs/dbraw/zinc/53/53/54/1122535354.db2.gz RIVFLYLENMBFOZ-UHFFFAOYSA-N 0 1 342.395 3.864 20 10 EHCDMN Oc1cc2c(cc1CN1CCc3c(cnn3-c3ccccc3)C1)CCC2 ZINC000917450446 1122609967 /nfs/dbraw/zinc/60/99/67/1122609967.db2.gz CYGKFCJHGVJHHJ-UHFFFAOYSA-N 0 1 345.446 3.625 20 10 EHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2cccc3n[nH]cc32)cc1 ZINC000917955286 1122715889 /nfs/dbraw/zinc/71/58/89/1122715889.db2.gz YUNGWBNTVPTBOU-UHFFFAOYSA-N 0 1 336.439 3.681 20 10 EHCDMN COc1ccc(O)c(CN(Cc2cc(OC)ccc2OC)C2CC2)c1 ZINC000179684147 1123824089 /nfs/dbraw/zinc/82/40/89/1123824089.db2.gz LGPRVNQMGFNCSQ-UHFFFAOYSA-N 0 1 343.423 3.583 20 10 EHCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000715755128 1129156308 /nfs/dbraw/zinc/15/63/08/1129156308.db2.gz WQBIPWMUNJPUGQ-UHFFFAOYSA-N 0 1 336.204 3.852 20 10 EHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCc2ccccc2C1 ZINC000715755128 1129156309 /nfs/dbraw/zinc/15/63/09/1129156309.db2.gz WQBIPWMUNJPUGQ-UHFFFAOYSA-N 0 1 336.204 3.852 20 10 EHCDMN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000763480902 1124031065 /nfs/dbraw/zinc/03/10/65/1124031065.db2.gz GLODDVQUKVSMFV-VQTJNVASSA-N 0 1 347.405 3.534 20 10 EHCDMN COc1ccc(N2CC[C@@H](CNCc3nc(C(C)(C)C)co3)C2)cc1 ZINC000922196231 1129334931 /nfs/dbraw/zinc/33/49/31/1129334931.db2.gz JBHCUSVNSNLZBP-HNNXBMFYSA-N 0 1 343.471 3.597 20 10 EHCDMN CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Br)ccc1[O-] ZINC000703592151 1130345269 /nfs/dbraw/zinc/34/52/69/1130345269.db2.gz WRXDPUAXNJFNSQ-UGWHAMFMSA-N 0 1 342.277 3.889 20 10 EHCDMN COc1ccc2[nH]cc(CC[NH2+]Cc3cc(Cl)ccc3[O-])c2c1 ZINC000733327106 1131026595 /nfs/dbraw/zinc/02/65/95/1131026595.db2.gz AISKVQLCSQOHMK-UHFFFAOYSA-N 0 1 330.815 3.868 20 10 EHCDMN COC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1 ZINC000739917740 1131517045 /nfs/dbraw/zinc/51/70/45/1131517045.db2.gz CEWQDCNWIHYCML-GOSISDBHSA-N 0 1 340.467 3.554 20 10 EHCDMN CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000768351187 1133128682 /nfs/dbraw/zinc/12/86/82/1133128682.db2.gz IEEKRVSNITTYML-GFCCVEGCSA-N 0 1 340.851 3.535 20 10 EHCDMN CCN(C)c1ccc(CN(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000773745811 1133171399 /nfs/dbraw/zinc/17/13/99/1133171399.db2.gz FJHDUXLTCVJZQF-FQEVSTJZSA-N 0 1 328.456 3.917 20 10 EHCDMN CN(C)c1ccc(CN2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000768918464 1133203013 /nfs/dbraw/zinc/20/30/13/1133203013.db2.gz IGTGRPLPJORTDJ-HXUWFJFHSA-N 0 1 334.467 3.976 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1[O-] ZINC000769104881 1133232061 /nfs/dbraw/zinc/23/20/61/1133232061.db2.gz KKZXFPOTRLEHOV-HNNXBMFYSA-N 0 1 348.786 3.997 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001179193960 1133237376 /nfs/dbraw/zinc/23/73/76/1133237376.db2.gz ONVFZFKHLWIXDB-GFCCVEGCSA-N 0 1 326.843 3.681 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c(Cl)c1 ZINC001179402345 1133247046 /nfs/dbraw/zinc/24/70/46/1133247046.db2.gz SDBBRQWDGVFKPY-UHFFFAOYSA-N 0 1 332.831 3.623 20 10 EHCDMN CCOc1ccc(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c(O)c1 ZINC000769308235 1133258431 /nfs/dbraw/zinc/25/84/31/1133258431.db2.gz NHLMHNKKASGOJZ-YWZLYKJASA-N 0 1 327.424 3.753 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000769447003 1133291910 /nfs/dbraw/zinc/29/19/10/1133291910.db2.gz PYZRUZOPRYEFSC-INIZCTEOSA-N 0 1 338.234 3.791 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000769447003 1133291913 /nfs/dbraw/zinc/29/19/13/1133291913.db2.gz PYZRUZOPRYEFSC-INIZCTEOSA-N 0 1 338.234 3.791 20 10 EHCDMN C[N@H+](Cc1ccccc1[O-])C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001180239679 1133350653 /nfs/dbraw/zinc/35/06/53/1133350653.db2.gz PDBNHJIQXQCIJJ-HXUWFJFHSA-N 0 1 348.487 3.861 20 10 EHCDMN C[N@@H+](Cc1ccccc1[O-])C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001180239679 1133350657 /nfs/dbraw/zinc/35/06/57/1133350657.db2.gz PDBNHJIQXQCIJJ-HXUWFJFHSA-N 0 1 348.487 3.861 20 10 EHCDMN CN(C)c1ccc(/C=C/CN2CCN(Cc3cccs3)CC2)cc1 ZINC001180505464 1133387042 /nfs/dbraw/zinc/38/70/42/1133387042.db2.gz UQLFGMWDUXRXSF-HWKANZROSA-N 0 1 341.524 3.645 20 10 EHCDMN Oc1c(F)c(F)ccc1CN1Cc2ccc(Br)cc2C1 ZINC001180622071 1133394754 /nfs/dbraw/zinc/39/47/54/1133394754.db2.gz BYTYZPUVJKGFGU-UHFFFAOYSA-N 0 1 340.167 3.949 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770373588 1133414951 /nfs/dbraw/zinc/41/49/51/1133414951.db2.gz HYOMSEDLDKMYBJ-RYUDHWBXSA-N 0 1 330.255 3.948 20 10 EHCDMN CCc1ccc([C@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])CCO2)cc1 ZINC001180886057 1133419540 /nfs/dbraw/zinc/41/95/40/1133419540.db2.gz VRLMTMCUFCSBOQ-QGZVFWFLSA-N 0 1 333.378 3.806 20 10 EHCDMN CCc1ccc([C@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])CCO2)cc1 ZINC001180886057 1133419542 /nfs/dbraw/zinc/41/95/42/1133419542.db2.gz VRLMTMCUFCSBOQ-QGZVFWFLSA-N 0 1 333.378 3.806 20 10 EHCDMN O=[N+]([O-])c1cc(CN2CCCC3(CC3)C2)ccc1N1CCCCC1 ZINC000770676162 1133458629 /nfs/dbraw/zinc/45/86/29/1133458629.db2.gz QYYBOGXEFWMARF-UHFFFAOYSA-N 0 1 329.444 3.961 20 10 EHCDMN CN(C)c1ccc(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000771935123 1133616672 /nfs/dbraw/zinc/61/66/72/1133616672.db2.gz IYMWLYBFELZEFL-UHFFFAOYSA-N 0 1 338.430 3.709 20 10 EHCDMN Cc1nn(-c2ccccc2)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000771935464 1133616757 /nfs/dbraw/zinc/61/67/57/1133616757.db2.gz UMHSDHVNHGDTHU-UHFFFAOYSA-N 0 1 334.467 3.879 20 10 EHCDMN O=C(NCc1ccccc1O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000772428957 1133684610 /nfs/dbraw/zinc/68/46/10/1133684610.db2.gz PCKQWTBOSZYVTR-UHFFFAOYSA-N 0 1 332.310 3.528 20 10 EHCDMN CCC(C)(C)OC1CN(Cc2cc(Br)cc(F)c2O)C1 ZINC001182918305 1133750227 /nfs/dbraw/zinc/75/02/27/1133750227.db2.gz MLJMGRBCCVQFDJ-UHFFFAOYSA-N 0 1 346.240 3.683 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000786162269 1133809051 /nfs/dbraw/zinc/80/90/51/1133809051.db2.gz VVLYJYUEHNZARD-UHFFFAOYSA-N 0 1 331.213 3.926 20 10 EHCDMN CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774841811 1134052017 /nfs/dbraw/zinc/05/20/17/1134052017.db2.gz XSEIMCMVCAEIGO-ZDUSSCGKSA-N 0 1 348.424 3.880 20 10 EHCDMN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774841811 1134052025 /nfs/dbraw/zinc/05/20/25/1134052025.db2.gz XSEIMCMVCAEIGO-ZDUSSCGKSA-N 0 1 348.424 3.880 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1ccccc1OC(F)F ZINC000788070700 1134076637 /nfs/dbraw/zinc/07/66/37/1134076637.db2.gz JVJRAMXYCGBNDK-UHFFFAOYSA-N 0 1 327.758 3.979 20 10 EHCDMN C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788507203 1134134707 /nfs/dbraw/zinc/13/47/07/1134134707.db2.gz PBNBRSRNQVWFRD-ZDUSSCGKSA-N 0 1 330.394 3.938 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1[O-] ZINC000775138855 1134368091 /nfs/dbraw/zinc/36/80/91/1134368091.db2.gz VPCPESKXZJCLPJ-MRVPVSSYSA-N 0 1 338.713 3.728 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000826053862 1134408088 /nfs/dbraw/zinc/40/80/88/1134408088.db2.gz OCRDRYZZQONWFG-GFCCVEGCSA-N 0 1 340.261 3.594 20 10 EHCDMN CC(C)[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)COc1ccccc1 ZINC000775199306 1134508778 /nfs/dbraw/zinc/50/87/78/1134508778.db2.gz HONWYVWKURPPAN-KRWDZBQOSA-N 0 1 349.858 3.696 20 10 EHCDMN CC(C)[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)COc1ccccc1 ZINC000775199306 1134508781 /nfs/dbraw/zinc/50/87/81/1134508781.db2.gz HONWYVWKURPPAN-KRWDZBQOSA-N 0 1 349.858 3.696 20 10 EHCDMN CC(C)[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)COc1ccccc1 ZINC000775199306 1134508787 /nfs/dbraw/zinc/50/87/87/1134508787.db2.gz HONWYVWKURPPAN-KRWDZBQOSA-N 0 1 349.858 3.696 20 10 EHCDMN Cc1cc(C)c(CNC(=O)c2ccc(CN3CCCCC3)o2)c(O)c1 ZINC001189754049 1134621470 /nfs/dbraw/zinc/62/14/70/1134621470.db2.gz HLUVKQSMMSCINZ-UHFFFAOYSA-N 0 1 342.439 3.518 20 10 EHCDMN COC(=O)[C@H](C)[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC1 ZINC000792184293 1134665490 /nfs/dbraw/zinc/66/54/90/1134665490.db2.gz FMRSQQZSETVPMO-VIFPVBQESA-N 0 1 332.227 3.615 20 10 EHCDMN COC(=O)[C@H](C)[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC1 ZINC000792184293 1134665492 /nfs/dbraw/zinc/66/54/92/1134665492.db2.gz FMRSQQZSETVPMO-VIFPVBQESA-N 0 1 332.227 3.615 20 10 EHCDMN CCOc1cccc(CN2CCO[C@@H](c3ccc(CC)cc3)C2)c1O ZINC000792190563 1134666060 /nfs/dbraw/zinc/66/60/60/1134666060.db2.gz TUANRDCYHLFUNM-HXUWFJFHSA-N 0 1 341.451 3.927 20 10 EHCDMN CC[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cc(Cl)ccc1[O-] ZINC000775493177 1134946159 /nfs/dbraw/zinc/94/61/59/1134946159.db2.gz URXPEZYDDAIDII-MRXNPFEDSA-N 0 1 329.831 3.977 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1cc(Cl)ccc1[O-] ZINC000775493881 1134951492 /nfs/dbraw/zinc/95/14/92/1134951492.db2.gz VZMWDMQGNNYUBH-DOTOQJQBSA-N 0 1 335.831 3.829 20 10 EHCDMN CC[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775496748 1134956336 /nfs/dbraw/zinc/95/63/36/1134956336.db2.gz KJLYOWFBGQJYPX-CQSZACIVSA-N 0 1 333.819 3.510 20 10 EHCDMN Cc1cc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cnc1Cl ZINC001192570535 1135031871 /nfs/dbraw/zinc/03/18/71/1135031871.db2.gz MZZGISOHNGILPU-UHFFFAOYSA-N 0 1 348.811 3.703 20 10 EHCDMN CCCc1nc(C)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000794410564 1135045155 /nfs/dbraw/zinc/04/51/55/1135045155.db2.gz BOWFWEDJJKNVPI-QGZVFWFLSA-N 0 1 344.455 3.822 20 10 EHCDMN Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)c1ccc(O)c([O-])c1Cl ZINC001193237118 1135117432 /nfs/dbraw/zinc/11/74/32/1135117432.db2.gz WUTGNRBNVWDSTL-CYBMUJFWSA-N 0 1 346.814 3.500 20 10 EHCDMN CCOC(=O)CN(Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775648079 1135397389 /nfs/dbraw/zinc/39/73/89/1135397389.db2.gz PTUBUXXJGXVNSO-UHFFFAOYSA-N 0 1 333.815 3.611 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(F)nc1 ZINC000806356453 1135435317 /nfs/dbraw/zinc/43/53/17/1135435317.db2.gz WUAKOPWNMKIJLX-UHFFFAOYSA-N 0 1 330.146 3.555 20 10 EHCDMN COCc1cnc(CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000775690712 1135529738 /nfs/dbraw/zinc/52/97/38/1135529738.db2.gz JZMRJIMHCXUERS-UHFFFAOYSA-N 0 1 332.469 3.940 20 10 EHCDMN Cn1cc(Cl)cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838842 1135575222 /nfs/dbraw/zinc/57/52/22/1135575222.db2.gz SCBVDHZMPLJJDH-UHFFFAOYSA-N 0 1 333.602 3.621 20 10 EHCDMN CC(C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCOCC1 ZINC000807840009 1135576444 /nfs/dbraw/zinc/57/64/44/1135576444.db2.gz PGTCKXIQUJZUAV-UHFFFAOYSA-N 0 1 346.254 3.768 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](F)Cc1ccccc1 ZINC000807839721 1135581561 /nfs/dbraw/zinc/58/15/61/1135581561.db2.gz KLFDSDPDPNIRRS-AWEZNQCLSA-N 0 1 342.197 3.896 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc(Cl)c1 ZINC000807838347 1135581734 /nfs/dbraw/zinc/58/17/34/1135581734.db2.gz PMJALZAQQSAARB-UHFFFAOYSA-N 0 1 331.586 3.677 20 10 EHCDMN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775738831 1135598781 /nfs/dbraw/zinc/59/87/81/1135598781.db2.gz KKZKOJHNFXTUIF-AWEZNQCLSA-N 0 1 339.863 3.909 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000809750250 1135885037 /nfs/dbraw/zinc/88/50/37/1135885037.db2.gz WSWVZOZTIBYNAL-UHFFFAOYSA-N 0 1 333.863 3.935 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809790921 1135892928 /nfs/dbraw/zinc/89/29/28/1135892928.db2.gz SGJBASAFHICONT-IBGZPJMESA-N 0 1 349.833 3.612 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809790921 1135892932 /nfs/dbraw/zinc/89/29/32/1135892932.db2.gz SGJBASAFHICONT-IBGZPJMESA-N 0 1 349.833 3.612 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cc3c(cc2OC)OCO3)cc1 ZINC001199403631 1135903829 /nfs/dbraw/zinc/90/38/29/1135903829.db2.gz XOYHMSJRWMQJNW-UHFFFAOYSA-N 0 1 342.439 3.560 20 10 EHCDMN CC1(C)C[N@@H+](Cc2cccc(Br)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000811511101 1136102006 /nfs/dbraw/zinc/10/20/06/1136102006.db2.gz VAGZIJFNISCILU-UKRRQHHQSA-N 0 1 340.261 3.544 20 10 EHCDMN CC[C@H](CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC001133127276 1136168221 /nfs/dbraw/zinc/16/82/21/1136168221.db2.gz NPHDEGDXHPUUIK-GOSISDBHSA-N 0 1 345.531 3.517 20 10 EHCDMN COc1ccc(N2CC[C@H](NCc3ncc(C(C)C)s3)C2)cc1 ZINC000850347092 1136238743 /nfs/dbraw/zinc/23/87/43/1136238743.db2.gz NGUHZNCZDNYMBS-AWEZNQCLSA-N 0 1 331.485 3.644 20 10 EHCDMN Oc1ccc(Br)cc1CN1CC(c2ccccc2F)C1 ZINC000812791568 1136247539 /nfs/dbraw/zinc/24/75/39/1136247539.db2.gz QKEZIZLNSFAIMU-UHFFFAOYSA-N 0 1 336.204 3.893 20 10 EHCDMN COc1cccc(CN[C@H](CO)c2cccc(Cl)c2Cl)c1O ZINC000850402596 1136249818 /nfs/dbraw/zinc/24/98/18/1136249818.db2.gz PJMWYIDAKVCCHY-CYBMUJFWSA-N 0 1 342.222 3.531 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000850481015 1136267131 /nfs/dbraw/zinc/26/71/31/1136267131.db2.gz GQMWXROBSHPESS-AAEUAGOBSA-N 0 1 341.293 3.678 20 10 EHCDMN COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])C2)cc1 ZINC000850489511 1136269899 /nfs/dbraw/zinc/26/98/99/1136269899.db2.gz VAMWYIIKOWNTLR-DZGCQCFKSA-N 0 1 346.858 3.984 20 10 EHCDMN C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cc(Br)ccc1[O-] ZINC000850530473 1136279391 /nfs/dbraw/zinc/27/93/91/1136279391.db2.gz ZBMWLBQQCKEKMC-GLZQIGESSA-N 0 1 348.240 3.984 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000850570475 1136288443 /nfs/dbraw/zinc/28/84/43/1136288443.db2.gz HNGMPHPLHNRIER-WDEREUQCSA-N 0 1 328.250 3.620 20 10 EHCDMN O=C(CCCc1nccs1)NCc1cc(Cl)cc(Cl)c1O ZINC000813684034 1136356261 /nfs/dbraw/zinc/35/62/61/1136356261.db2.gz CJIBVDKGGXRAKR-UHFFFAOYSA-N 0 1 345.251 3.795 20 10 EHCDMN O=C(CCOc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000813684730 1136356692 /nfs/dbraw/zinc/35/66/92/1136356692.db2.gz UXDBOZMXHARLJP-UHFFFAOYSA-N 0 1 340.206 3.784 20 10 EHCDMN CC[C@@H](C)CC[C@H](O)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684966 1136356711 /nfs/dbraw/zinc/35/67/11/1136356711.db2.gz ZENCFNUVARBTFJ-MFKMUULPSA-N 0 1 348.270 3.893 20 10 EHCDMN Cc1cc(CNCc2snnc2C)c(C)n1-c1cccc(C)c1 ZINC000813790487 1136362858 /nfs/dbraw/zinc/36/28/58/1136362858.db2.gz SWMBFFIYWWBCTA-UHFFFAOYSA-N 0 1 326.469 3.852 20 10 EHCDMN CCN(C)c1ccc(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000851707249 1136400595 /nfs/dbraw/zinc/40/05/95/1136400595.db2.gz YBKRGDLQIYBESR-UYAOXDASSA-N 0 1 344.499 3.998 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178198 1136412318 /nfs/dbraw/zinc/41/23/18/1136412318.db2.gz GUEKZCWPBVPARQ-ZDUSSCGKSA-N 0 1 330.255 3.948 20 10 EHCDMN C[C@@]12CC[N@@H+](Cc3cccc(Br)c3[O-])C[C@@H]1C2(F)F ZINC000814169273 1136414692 /nfs/dbraw/zinc/41/46/92/1136414692.db2.gz FXRAGLWXDKLTAF-WCQYABFASA-N 0 1 332.188 3.632 20 10 EHCDMN Cc1cc(CN2CCC[C@H](OCC(F)(F)F)C2)ccc1N(C)C ZINC000815050777 1136540136 /nfs/dbraw/zinc/54/01/36/1136540136.db2.gz HNSDWLQWASBCNL-HNNXBMFYSA-N 0 1 330.394 3.604 20 10 EHCDMN CN(Cc1ccccc1O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815070049 1136546735 /nfs/dbraw/zinc/54/67/35/1136546735.db2.gz JSPZWULZMQFMCT-UHFFFAOYSA-N 0 1 340.301 3.951 20 10 EHCDMN C[C@H](NCc1cccc(O)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000815118418 1136551734 /nfs/dbraw/zinc/55/17/34/1136551734.db2.gz HHWIMFMNKFSSOA-AWEZNQCLSA-N 0 1 346.858 3.733 20 10 EHCDMN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000815633114 1136621909 /nfs/dbraw/zinc/62/19/09/1136621909.db2.gz GQIIXODKBKMZRJ-CABCVRRESA-N 0 1 328.456 3.748 20 10 EHCDMN Cc1ccc([C@@H]2COCCN2Cc2cc(Cl)c(F)cc2O)o1 ZINC000816513378 1136729684 /nfs/dbraw/zinc/72/96/84/1136729684.db2.gz ONNWKEJBRUMRMS-AWEZNQCLSA-N 0 1 325.767 3.660 20 10 EHCDMN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816558463 1136736602 /nfs/dbraw/zinc/73/66/02/1136736602.db2.gz ZVGPLJHZQHPJEV-AWEZNQCLSA-N 0 1 344.455 3.796 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000816625048 1136739462 /nfs/dbraw/zinc/73/94/62/1136739462.db2.gz PLHRSKNPUZLPHT-UHFFFAOYSA-N 0 1 331.843 3.572 20 10 EHCDMN C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc3ccccc3c1[O-])C[C@H](C)O2 ZINC000816598218 1136739910 /nfs/dbraw/zinc/73/99/10/1136739910.db2.gz SZLZLODJKUYLCJ-XFQAVAEZSA-N 0 1 341.451 3.704 20 10 EHCDMN C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc3ccccc3c1[O-])C[C@H](C)O2 ZINC000816598218 1136739911 /nfs/dbraw/zinc/73/99/11/1136739911.db2.gz SZLZLODJKUYLCJ-XFQAVAEZSA-N 0 1 341.451 3.704 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)ccc2ccccc21 ZINC000816615434 1136741578 /nfs/dbraw/zinc/74/15/78/1136741578.db2.gz WFCLGZCECOHMAK-RBBKRZOGSA-N 0 1 333.431 3.801 20 10 EHCDMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000816661998 1136746657 /nfs/dbraw/zinc/74/66/57/1136746657.db2.gz DZLIZESHAFPZHY-INIZCTEOSA-N 0 1 332.271 3.930 20 10 EHCDMN Cc1cc(C(=O)Nc2nc3ccc(C)cc3[nH]2)c(C)n1-c1ccccn1 ZINC000817017983 1136770832 /nfs/dbraw/zinc/77/08/32/1136770832.db2.gz JURVLIREJPTMIU-UHFFFAOYSA-N 0 1 345.406 3.926 20 10 EHCDMN Cc1ccc(O)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000857507941 1136878060 /nfs/dbraw/zinc/87/80/60/1136878060.db2.gz KCSYUZMBLFZLBJ-UHFFFAOYSA-N 0 1 326.179 3.643 20 10 EHCDMN CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000776954510 1136901873 /nfs/dbraw/zinc/90/18/73/1136901873.db2.gz QPRYQVWSNFWQSY-HUUCEWRRSA-N 0 1 342.277 3.838 20 10 EHCDMN CC[C@H](CC(F)(F)F)[NH2+]Cc1c([O-])cccc1Br ZINC000858157261 1136945026 /nfs/dbraw/zinc/94/50/26/1136945026.db2.gz WLKLMOUMWZVLTM-MRVPVSSYSA-N 0 1 326.156 3.975 20 10 EHCDMN Cc1ccc2c(c1C)OC[C@@H]2NCc1c(O)cccc1Br ZINC000858129509 1136942137 /nfs/dbraw/zinc/94/21/37/1136942137.db2.gz LYWXDEXYANDZEP-HNNXBMFYSA-N 0 1 348.240 3.995 20 10 EHCDMN C[C@@]1(CC[NH2+]Cc2c([O-])cccc2Br)C[C@@]1(F)Cl ZINC000858184150 1136947143 /nfs/dbraw/zinc/94/71/43/1136947143.db2.gz IKVULKFZYXUBBN-OLZOCXBDSA-N 0 1 336.632 3.949 20 10 EHCDMN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858182234 1136947229 /nfs/dbraw/zinc/94/72/29/1136947229.db2.gz LRBAWZGDVFIDEK-PHIMTYICSA-N 0 1 328.250 3.590 20 10 EHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCO[C@H](C2CC2)C1 ZINC000777220608 1137122240 /nfs/dbraw/zinc/12/22/40/1137122240.db2.gz GGDGPRHKMUQDHR-NRFANRHFSA-N 0 1 339.435 3.582 20 10 EHCDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000862213368 1137132482 /nfs/dbraw/zinc/13/24/82/1137132482.db2.gz QGGWCKNMZDUODP-HNNXBMFYSA-N 0 1 335.245 3.830 20 10 EHCDMN Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862213368 1137132483 /nfs/dbraw/zinc/13/24/83/1137132483.db2.gz QGGWCKNMZDUODP-HNNXBMFYSA-N 0 1 335.245 3.830 20 10 EHCDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Br ZINC000862213368 1137132484 /nfs/dbraw/zinc/13/24/84/1137132484.db2.gz QGGWCKNMZDUODP-HNNXBMFYSA-N 0 1 335.245 3.830 20 10 EHCDMN COC1CCC([N@@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000824814259 1137153550 /nfs/dbraw/zinc/15/35/50/1137153550.db2.gz OIGDKUOSQMSYSF-UHFFFAOYSA-N 0 1 328.250 3.544 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825046800 1137163023 /nfs/dbraw/zinc/16/30/23/1137163023.db2.gz XWOMDHSTSYJFKV-NHYWBVRUSA-N 0 1 341.377 3.816 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cc(C)c(C(=O)OC)o2)cc1 ZINC000825125029 1137166519 /nfs/dbraw/zinc/16/65/19/1137166519.db2.gz CZUUZVNVCLNBCX-UHFFFAOYSA-N 0 1 330.428 3.511 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1Cl ZINC000825160076 1137168683 /nfs/dbraw/zinc/16/86/83/1137168683.db2.gz LQIFLDFKDXUDAZ-KRWDZBQOSA-N 0 1 346.858 3.663 20 10 EHCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000825321510 1137172815 /nfs/dbraw/zinc/17/28/15/1137172815.db2.gz FZVQAJZRERSOGF-CYBMUJFWSA-N 0 1 342.277 3.712 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000825357673 1137174759 /nfs/dbraw/zinc/17/47/59/1137174759.db2.gz JIPFKWHALOXARQ-WFASDCNBSA-N 0 1 342.277 3.576 20 10 EHCDMN Oc1cc2c(cc1CN1CCO[C@@H](CCF)C1)oc1ccccc12 ZINC000863315855 1137180591 /nfs/dbraw/zinc/18/05/91/1137180591.db2.gz GMKZZAOTHQCPJF-AWEZNQCLSA-N 0 1 329.371 3.852 20 10 EHCDMN CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825519739 1137180847 /nfs/dbraw/zinc/18/08/47/1137180847.db2.gz KRWYFKZWSKIOST-SNVBAGLBSA-N 0 1 326.156 3.975 20 10 EHCDMN Cc1cnc(CN(C)Cc2ccc(N(C)C)cc2)cc1Br ZINC001143668598 1137187996 /nfs/dbraw/zinc/18/79/96/1137187996.db2.gz ZDCKIRONSJQKBW-UHFFFAOYSA-N 0 1 348.288 3.851 20 10 EHCDMN C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(Br)cc1[O-] ZINC000844919853 1137262664 /nfs/dbraw/zinc/26/26/64/1137262664.db2.gz HJSKICSQWRDADZ-SMDDNHRTSA-N 0 1 347.256 3.842 20 10 EHCDMN Oc1ccccc1CN(Cc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000120529337 1137280192 /nfs/dbraw/zinc/28/01/92/1137280192.db2.gz NUIQMEVOGOKJIN-KRWDZBQOSA-N 0 1 333.378 3.852 20 10 EHCDMN COc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(F)c1 ZINC000845902862 1137319198 /nfs/dbraw/zinc/31/91/98/1137319198.db2.gz JSDCXVZGBDUJBS-GOSISDBHSA-N 0 1 345.414 3.721 20 10 EHCDMN Cc1cc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)ccc1N1CCCCC1 ZINC000846275188 1137344838 /nfs/dbraw/zinc/34/48/38/1137344838.db2.gz DUNISFOERQLEBT-INIZCTEOSA-N 0 1 330.472 3.670 20 10 EHCDMN CCN(C)c1ccc([C@H](C)N[C@@H](CO)c2ccccc2OC)cc1 ZINC000773013145 1137459435 /nfs/dbraw/zinc/45/94/35/1137459435.db2.gz XBUBVEZALFPJEV-KXBFYZLASA-N 0 1 328.456 3.536 20 10 EHCDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccc(O)c1F ZINC000872026211 1137565953 /nfs/dbraw/zinc/56/59/53/1137565953.db2.gz ZDKZUFBLIKIPAI-AWEZNQCLSA-N 0 1 346.471 3.935 20 10 EHCDMN Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000872133851 1137573437 /nfs/dbraw/zinc/57/34/37/1137573437.db2.gz PGRMVTMTJDRVFF-KOLCDFICSA-N 0 1 336.233 3.665 20 10 EHCDMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876795608 1137661470 /nfs/dbraw/zinc/66/14/70/1137661470.db2.gz RYJASQQTMVSNEU-QVQLBTGDSA-N 0 1 339.407 3.601 20 10 EHCDMN COc1cc(CNCc2ccc(N(C)C)c(F)c2)c(Cl)cc1O ZINC000876988759 1137667011 /nfs/dbraw/zinc/66/70/11/1137667011.db2.gz LFPIXVBXJFXVSL-UHFFFAOYSA-N 0 1 338.810 3.549 20 10 EHCDMN Cc1cc(NCc2ccc(F)c(F)c2O)ccc1C(=O)NC(C)C ZINC000877170281 1137672134 /nfs/dbraw/zinc/67/21/34/1137672134.db2.gz LXPRJWMTBFJENH-UHFFFAOYSA-N 0 1 334.366 3.729 20 10 EHCDMN CCCN(Cc1nnc(-c2cccc(O)c2)o1)Cc1ccccc1O ZINC000878150644 1137704579 /nfs/dbraw/zinc/70/45/79/1137704579.db2.gz GSWDVLNJVZOFHB-UHFFFAOYSA-N 0 1 339.395 3.560 20 10 EHCDMN Cc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nc1Cl ZINC000878240173 1137708259 /nfs/dbraw/zinc/70/82/59/1137708259.db2.gz DGVMDLKXVZVSHI-KRWDZBQOSA-N 0 1 346.858 3.930 20 10 EHCDMN CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCC2(CCOCC2)O1 ZINC000878566033 1137720569 /nfs/dbraw/zinc/72/05/69/1137720569.db2.gz YWOUWLHEVWPTGJ-GOSISDBHSA-N 0 1 333.472 3.723 20 10 EHCDMN CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000826062616 1137723640 /nfs/dbraw/zinc/72/36/40/1137723640.db2.gz UWXSVYKZEGFQRV-LRDDRELGSA-N 0 1 342.277 3.696 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000826143136 1137768690 /nfs/dbraw/zinc/76/86/90/1137768690.db2.gz SZOGZXFCLZLEOV-CYBMUJFWSA-N 0 1 332.188 3.776 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000826143136 1137768689 /nfs/dbraw/zinc/76/86/89/1137768689.db2.gz SZOGZXFCLZLEOV-CYBMUJFWSA-N 0 1 332.188 3.776 20 10 EHCDMN CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)cc1 ZINC000111235451 1137903886 /nfs/dbraw/zinc/90/38/86/1137903886.db2.gz YAQFHRHNBZMNAE-CYBMUJFWSA-N 0 1 330.453 3.573 20 10 EHCDMN CSc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)cc1 ZINC000111235451 1137903887 /nfs/dbraw/zinc/90/38/87/1137903887.db2.gz YAQFHRHNBZMNAE-CYBMUJFWSA-N 0 1 330.453 3.573 20 10 EHCDMN Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cnn1C ZINC000185001678 1140130365 /nfs/dbraw/zinc/13/03/65/1140130365.db2.gz ANUQRCWBFZQCAP-UWVGGRQHSA-N 0 1 338.249 3.608 20 10 EHCDMN C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(Br)ccc1[O-] ZINC000185512429 1140153507 /nfs/dbraw/zinc/15/35/07/1140153507.db2.gz HFPHVOVVNNYNLK-OTYXRUKQSA-N 0 1 342.258 3.600 20 10 EHCDMN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000186074775 1140185810 /nfs/dbraw/zinc/18/58/10/1140185810.db2.gz SZZPSMHRCUOMPB-GHMZBOCLSA-N 0 1 330.266 3.602 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000777440495 1140290663 /nfs/dbraw/zinc/29/06/63/1140290663.db2.gz XYTPPGMATHNCCA-HNNXBMFYSA-N 0 1 340.261 3.546 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccncc3)CC2)c1[O-] ZINC000191627833 1140475552 /nfs/dbraw/zinc/47/55/52/1140475552.db2.gz CZQFASZQAWPYIM-UHFFFAOYSA-N 0 1 328.387 3.509 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CCC(c3ccncc3)CC2)c1O ZINC000191627833 1140475557 /nfs/dbraw/zinc/47/55/57/1140475557.db2.gz CZQFASZQAWPYIM-UHFFFAOYSA-N 0 1 328.387 3.509 20 10 EHCDMN Cc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000268810980 1140996880 /nfs/dbraw/zinc/99/68/80/1140996880.db2.gz DUXIECAEARWCSZ-AWEZNQCLSA-N 0 1 332.419 3.539 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000271171141 1141316955 /nfs/dbraw/zinc/31/69/55/1141316955.db2.gz FEKKKSNFDRAUOE-OAHLLOKOSA-N 0 1 339.863 3.596 20 10 EHCDMN Cc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1C ZINC000738463456 600685632 /nfs/dbraw/zinc/68/56/32/600685632.db2.gz FDFVRDJWLZSPBQ-INIZCTEOSA-N 0 1 327.424 3.732 20 10 EHCDMN O=C([O-])c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000833315443 601602372 /nfs/dbraw/zinc/60/23/72/601602372.db2.gz VKBHTWLELPEXGX-UHFFFAOYSA-N 0 1 337.375 3.886 20 10 EHCDMN Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC001594303174 957929756 /nfs/dbraw/zinc/92/97/56/957929756.db2.gz MDABVAXRUNNWSL-QAPCUYQASA-N 0 1 330.472 3.528 20 10 EHCDMN Oc1ccccc1C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCCO1 ZINC000160184636 1014236707 /nfs/dbraw/zinc/23/67/07/1014236707.db2.gz MGZUFFWKKZIOHH-QGZVFWFLSA-N 0 1 347.842 3.932 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160184636 1014236714 /nfs/dbraw/zinc/23/67/14/1014236714.db2.gz MGZUFFWKKZIOHH-QGZVFWFLSA-N 0 1 347.842 3.932 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160184636 1014236722 /nfs/dbraw/zinc/23/67/22/1014236722.db2.gz MGZUFFWKKZIOHH-QGZVFWFLSA-N 0 1 347.842 3.932 20 10 EHCDMN CC(C)[C@@H](C)[N@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196591 1014939397 /nfs/dbraw/zinc/93/93/97/1014939397.db2.gz VEVKVODWZGZHQL-CQSZACIVSA-N 0 1 327.424 3.805 20 10 EHCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196591 1014939406 /nfs/dbraw/zinc/93/94/06/1014939406.db2.gz VEVKVODWZGZHQL-CQSZACIVSA-N 0 1 327.424 3.805 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2nc3cccc(Cl)c3n2C)c1 ZINC000274776046 1015064588 /nfs/dbraw/zinc/06/45/88/1015064588.db2.gz NZSJGLROXNTXEI-NSHDSACASA-N 0 1 345.830 3.792 20 10 EHCDMN CC(C)[C@H]1CCC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001591087936 991616028 /nfs/dbraw/zinc/61/60/28/991616028.db2.gz UYJGFMWIMBSGRS-ZDUSSCGKSA-N 0 1 332.419 3.884 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000228554573 1032735833 /nfs/dbraw/zinc/73/58/33/1032735833.db2.gz IJPAYKSFDGZBQC-MFKMUULPSA-N 0 1 330.291 3.949 20 10 EHCDMN Cc1cn(C)c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc12 ZINC001167436808 1020134461 /nfs/dbraw/zinc/13/44/61/1020134461.db2.gz ADMOLBIMPICEFM-UHFFFAOYSA-N 0 1 348.494 3.851 20 10 EHCDMN C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894421763 1022261126 /nfs/dbraw/zinc/26/11/26/1022261126.db2.gz GMJMHBTYGZAFSM-SNVBAGLBSA-N 0 1 339.208 3.882 20 10 EHCDMN CCC[N@@H+](Cc1ccccc1O)Cc1ccc(OC)c(OC)c1O ZINC000891853690 1023072079 /nfs/dbraw/zinc/07/20/79/1023072079.db2.gz RHVXNNWHLCWKKC-UHFFFAOYSA-N 0 1 331.412 3.527 20 10 EHCDMN COc1cc(O)c(CN[C@H]2c3ccccc3CC[C@@H]2F)cc1OC ZINC000895692243 1024727353 /nfs/dbraw/zinc/72/73/53/1024727353.db2.gz UQHXCNBKFIHRAN-KXBFYZLASA-N 0 1 331.387 3.525 20 10 EHCDMN C[C@H]([NH2+]Cc1c([O-])cccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000896639544 1025792741 /nfs/dbraw/zinc/79/27/41/1025792741.db2.gz VXELNWKVHBKSGK-DOTOQJQBSA-N 0 1 328.431 3.532 20 10 EHCDMN Cc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)oc1C ZINC000281999381 1026583741 /nfs/dbraw/zinc/58/37/41/1026583741.db2.gz CVVUUJOUSBOXLR-CQSZACIVSA-N 0 1 346.446 3.847 20 10 EHCDMN C[C@H]([NH2+]CCCc1nccs1)c1ccc(Br)cc1[O-] ZINC000273467766 1027442377 /nfs/dbraw/zinc/44/23/77/1027442377.db2.gz JDMUEZMLNRQBIL-JTQLQIEISA-N 0 1 341.274 3.895 20 10 EHCDMN Cc1cnccc1CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000273542143 1027484119 /nfs/dbraw/zinc/48/41/19/1027484119.db2.gz YOAIDBDAODBEKB-GFCCVEGCSA-N 0 1 335.245 3.751 20 10 EHCDMN COc1c([O-])c(C[N@H+]([C@@H](C)c2ccco2)C2CC2)ccc1[N+](=O)[O-] ZINC000278274879 1029899145 /nfs/dbraw/zinc/89/91/45/1029899145.db2.gz SGHGBZLTVRHRBT-NSHDSACASA-N 0 1 332.356 3.628 20 10 EHCDMN COc1c([O-])c(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)ccc1[N+](=O)[O-] ZINC000278274879 1029899164 /nfs/dbraw/zinc/89/91/64/1029899164.db2.gz SGHGBZLTVRHRBT-NSHDSACASA-N 0 1 332.356 3.628 20 10 EHCDMN COC(=O)c1coc([C@H](C)NCc2ccc(N3CCCC3)cc2)c1 ZINC000278328413 1030182962 /nfs/dbraw/zinc/18/29/62/1030182962.db2.gz VZQKPIZCPJQWCT-AWEZNQCLSA-N 0 1 328.412 3.517 20 10 EHCDMN CCOc1ccccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000161823966 1030430071 /nfs/dbraw/zinc/43/00/71/1030430071.db2.gz FJMZFLHXTMTFPN-UHFFFAOYSA-N 0 1 340.467 3.554 20 10 EHCDMN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000527923794 1031414896 /nfs/dbraw/zinc/41/48/96/1031414896.db2.gz FGVIQBFVFYXPTF-NWDGAFQWSA-N 0 1 328.250 3.622 20 10 EHCDMN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1cc(Br)ccc1[O-] ZINC000528003483 1031567292 /nfs/dbraw/zinc/56/72/92/1031567292.db2.gz OKSWOOAELODWPH-YQEZVOHVSA-N 0 1 328.250 3.617 20 10 EHCDMN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000757637044 1034113690 /nfs/dbraw/zinc/11/36/90/1034113690.db2.gz LCUMBASYKQZTCF-SDDRHHMPSA-N 0 1 328.250 3.620 20 10 EHCDMN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000171936617 1034725237 /nfs/dbraw/zinc/72/52/37/1034725237.db2.gz RCUKCQZQQAGKMQ-CYBMUJFWSA-N 0 1 332.831 3.813 20 10 EHCDMN Oc1ccccc1CNCc1c(F)ccc(Br)c1F ZINC000230311102 1034862045 /nfs/dbraw/zinc/86/20/45/1034862045.db2.gz QJPSSNAVSJUONU-UHFFFAOYSA-N 0 1 328.156 3.723 20 10 EHCDMN COc1cc(C)cc(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1O ZINC000164497462 1035643900 /nfs/dbraw/zinc/64/39/00/1035643900.db2.gz JLSNHNVSAGRJSH-GUYCJALGSA-N 0 1 333.453 3.733 20 10 EHCDMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000163843449 1037762858 /nfs/dbraw/zinc/76/28/58/1037762858.db2.gz UDXVWTXJSVUVEV-CABCVRRESA-N 0 1 330.451 3.961 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cc(Br)ccc1[O-] ZINC000756381175 1038283703 /nfs/dbraw/zinc/28/37/03/1038283703.db2.gz YAXNBERZVXUPFU-RISCZKNCSA-N 0 1 348.240 3.809 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000323758667 1038921259 /nfs/dbraw/zinc/92/12/59/1038921259.db2.gz UWNKHEVQMRLVAJ-BLLLJJGKSA-N 0 1 339.863 3.764 20 10 EHCDMN CCN(CC)c1ccc(CN[C@](C)(CO)c2ccccc2)cc1F ZINC000236937306 1040313596 /nfs/dbraw/zinc/31/35/96/1040313596.db2.gz VQZSGLAIDNKKDZ-HXUWFJFHSA-N 0 1 330.447 3.669 20 10 EHCDMN CCN(C)c1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000178728663 1040771106 /nfs/dbraw/zinc/77/11/06/1040771106.db2.gz PDTUMQUVVBRFPJ-AWEZNQCLSA-N 0 1 343.427 3.910 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)c1cc(Br)ccc1[O-] ZINC000312852599 1041586044 /nfs/dbraw/zinc/58/60/44/1041586044.db2.gz GLMMXKCXYIHXBB-SWLSCSKDSA-N 0 1 343.309 3.924 20 10 EHCDMN C[C@@]1(CF)CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367968 1042663190 /nfs/dbraw/zinc/66/31/90/1042663190.db2.gz YMDPLIMHRHJONI-ZDUSSCGKSA-N 0 1 336.632 3.990 20 10 EHCDMN Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@@H](C)c3cc(C)ccc3O)n2)c1 ZINC000279151421 1043460930 /nfs/dbraw/zinc/46/09/30/1043460930.db2.gz AQWDOFSSELKJFJ-UONOGXRCSA-N 0 1 337.427 3.601 20 10 EHCDMN C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc2ccccc2c1[O-] ZINC000184971643 1126724244 /nfs/dbraw/zinc/72/42/44/1126724244.db2.gz GFURFVLNKPIELB-ZDUSSCGKSA-N 0 1 335.407 3.887 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000186086172 1127254252 /nfs/dbraw/zinc/25/42/52/1127254252.db2.gz SGBGKIHWGYLBGZ-HIFRSBDPSA-N 0 1 326.440 3.595 20 10 EHCDMN CC(C)[C@H](NCc1ccc2c(c1)CCCO2)c1nnc2ccccn21 ZINC000921654257 1128435821 /nfs/dbraw/zinc/43/58/21/1128435821.db2.gz ZDGFECPJGYKHOY-IBGZPJMESA-N 0 1 336.439 3.541 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000229565626 1120968450 /nfs/dbraw/zinc/96/84/50/1120968450.db2.gz BIDAPYWNQQFSSR-SUHUHFCYSA-N 0 1 328.250 3.763 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000763220609 1121907781 /nfs/dbraw/zinc/90/77/81/1121907781.db2.gz VJCSWRIZCVZFOQ-UHFFFAOYSA-N 0 1 326.440 3.866 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000763220609 1121907789 /nfs/dbraw/zinc/90/77/89/1121907789.db2.gz VJCSWRIZCVZFOQ-UHFFFAOYSA-N 0 1 326.440 3.866 20 10 EHCDMN CN(C)c1ccc(CN(CC(=O)NC2CCCCCC2)C2CC2)cc1 ZINC000917073826 1122470578 /nfs/dbraw/zinc/47/05/78/1122470578.db2.gz CAQJNYGHJUTAEA-UHFFFAOYSA-N 0 1 343.515 3.556 20 10 EHCDMN Cc1cc(N(C)C)ccc1CNCc1ccc(Br)cn1 ZINC000734510167 1131243803 /nfs/dbraw/zinc/24/38/03/1131243803.db2.gz SFWAUICSFWXGTP-UHFFFAOYSA-N 0 1 334.261 3.508 20 10 EHCDMN CCCOc1ccc(CNCc2cc(C(F)(F)F)nn2C)cc1C ZINC000922714231 1129637799 /nfs/dbraw/zinc/63/77/99/1129637799.db2.gz WOZYXFUMZFTCHL-UHFFFAOYSA-N 0 1 341.377 3.826 20 10 EHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)N2CCC(C)CC2)cc1 ZINC000741677918 1131634972 /nfs/dbraw/zinc/63/49/72/1131634972.db2.gz FLSCCWPZAGBZJA-GOSISDBHSA-N 0 1 345.531 3.612 20 10 EHCDMN Cn1ccnc1C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000742388637 1131713588 /nfs/dbraw/zinc/71/35/88/1131713588.db2.gz QCJAAPCRWXEDEU-KRWDZBQOSA-N 0 1 341.842 3.853 20 10 EHCDMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441617 1132101025 /nfs/dbraw/zinc/10/10/25/1132101025.db2.gz PRLTUGAXYQXHFO-HOCLYGCPSA-N 0 1 339.435 3.949 20 10 EHCDMN CCOC(=O)N1CCC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])CC1 ZINC001169663618 1132813305 /nfs/dbraw/zinc/81/33/05/1132813305.db2.gz XXEXIDHMAUYMPL-GOSISDBHSA-N 0 1 342.439 3.646 20 10 EHCDMN CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1nc(C2CC2)no1 ZINC001177811108 1133105475 /nfs/dbraw/zinc/10/54/75/1133105475.db2.gz RSCOPAOZPVBSIO-ZDUSSCGKSA-N 0 1 339.798 3.932 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1[O-] ZINC000768354870 1133128906 /nfs/dbraw/zinc/12/89/06/1133128906.db2.gz KCKHKWSEOPZCCV-CQSZACIVSA-N 0 1 333.775 3.686 20 10 EHCDMN COCc1ccc([C@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)o1 ZINC000768540596 1133153214 /nfs/dbraw/zinc/15/32/14/1133153214.db2.gz JVAJWJHUNWBKJB-GOSISDBHSA-N 0 1 332.419 3.968 20 10 EHCDMN COCC[N@H+](Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000768579830 1133158419 /nfs/dbraw/zinc/15/84/19/1133158419.db2.gz SHBOEUVCXZHGJV-UHFFFAOYSA-N 0 1 328.250 3.546 20 10 EHCDMN COCC[N@@H+](Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000768579830 1133158421 /nfs/dbraw/zinc/15/84/21/1133158421.db2.gz SHBOEUVCXZHGJV-UHFFFAOYSA-N 0 1 328.250 3.546 20 10 EHCDMN CCN(C)c1ccc(CN2CCc3c(cccc3NC(C)=O)C2)cc1 ZINC000773746793 1133178584 /nfs/dbraw/zinc/17/85/84/1133178584.db2.gz PJORKKBQUCJWFS-UHFFFAOYSA-N 0 1 337.467 3.659 20 10 EHCDMN CCc1nc(CN(C)Cc2cccc(Br)c2O)cs1 ZINC000769120263 1133230001 /nfs/dbraw/zinc/23/00/01/1133230001.db2.gz JEUNCONCWVPVOD-UHFFFAOYSA-N 0 1 341.274 3.806 20 10 EHCDMN CCCCCC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000769223715 1133246273 /nfs/dbraw/zinc/24/62/73/1133246273.db2.gz QFQGOFGGWYKJHL-UHFFFAOYSA-N 0 1 338.879 3.707 20 10 EHCDMN CC[N@H+](Cc1ccc(O)cc1)Cc1cc(Br)ccc1[O-] ZINC000769233270 1133248384 /nfs/dbraw/zinc/24/83/84/1133248384.db2.gz QAWDBDZMXLTVRK-UHFFFAOYSA-N 0 1 336.229 3.882 20 10 EHCDMN CC[N@@H+](Cc1ccc(O)cc1)Cc1cc(Br)ccc1[O-] ZINC000769233270 1133248391 /nfs/dbraw/zinc/24/83/91/1133248391.db2.gz QAWDBDZMXLTVRK-UHFFFAOYSA-N 0 1 336.229 3.882 20 10 EHCDMN COc1cccc(O)c1CN1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000769473205 1133298419 /nfs/dbraw/zinc/29/84/19/1133298419.db2.gz MBFPFKWUTIJYPZ-DJJJIMSYSA-N 0 1 331.387 3.502 20 10 EHCDMN COCC[N@@H+](Cc1ccc(C)cc1C)Cc1cc(F)c(F)cc1[O-] ZINC001180018063 1133317870 /nfs/dbraw/zinc/31/78/70/1133317870.db2.gz LXKATAJIOHVLRS-UHFFFAOYSA-N 0 1 335.394 3.936 20 10 EHCDMN C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(Br)cc1[O-] ZINC000769984990 1133373307 /nfs/dbraw/zinc/37/33/07/1133373307.db2.gz FIADDGNFBMNUHG-NOZJJQNGSA-N 0 1 342.258 3.600 20 10 EHCDMN CC[C@H]1CN(Cc2cc(F)c(F)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001180688047 1133407066 /nfs/dbraw/zinc/40/70/66/1133407066.db2.gz UBWKEWBYZYTPSM-KRWDZBQOSA-N 0 1 346.421 3.767 20 10 EHCDMN CC[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[N@@H+]1Cc1ccccc1 ZINC001180688047 1133407069 /nfs/dbraw/zinc/40/70/69/1133407069.db2.gz UBWKEWBYZYTPSM-KRWDZBQOSA-N 0 1 346.421 3.767 20 10 EHCDMN CC[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC001180688047 1133407072 /nfs/dbraw/zinc/40/70/72/1133407072.db2.gz UBWKEWBYZYTPSM-KRWDZBQOSA-N 0 1 346.421 3.767 20 10 EHCDMN Cc1nc(C)c(C[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000691500137 1133543772 /nfs/dbraw/zinc/54/37/72/1133543772.db2.gz BIOATIFSFUXYMY-UHFFFAOYSA-N 0 1 327.247 3.518 20 10 EHCDMN CCN1CCCC[C@@H]1C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001182002468 1133560640 /nfs/dbraw/zinc/56/06/40/1133560640.db2.gz RSHCJVBLBFBARK-APWZRJJASA-N 0 1 344.499 3.623 20 10 EHCDMN CSc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])ccn1 ZINC000771882852 1133606015 /nfs/dbraw/zinc/60/60/15/1133606015.db2.gz UTQPNNZQZDHNQQ-UHFFFAOYSA-N 0 1 339.258 3.561 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774834169 1134035927 /nfs/dbraw/zinc/03/59/27/1134035927.db2.gz AXNJXXCBXBYOJJ-OAHLLOKOSA-N 0 1 346.358 3.785 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774834169 1134035933 /nfs/dbraw/zinc/03/59/33/1134035933.db2.gz AXNJXXCBXBYOJJ-OAHLLOKOSA-N 0 1 346.358 3.785 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000774841261 1134049275 /nfs/dbraw/zinc/04/92/75/1134049275.db2.gz SZAQOELCZCJMLQ-AEGPPILISA-N 0 1 334.416 3.710 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000774910421 1134117601 /nfs/dbraw/zinc/11/76/01/1134117601.db2.gz XJTCXKSJEINHQD-CZUORRHYSA-N 0 1 342.395 3.687 20 10 EHCDMN Cc1ccc(C[N@H+](C)Cc2cc(C)cc(Br)c2[O-])nc1 ZINC000789590661 1134299303 /nfs/dbraw/zinc/29/93/03/1134299303.db2.gz XMYZXEKZDIHDFN-UHFFFAOYSA-N 0 1 335.245 3.799 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000775136873 1134364658 /nfs/dbraw/zinc/36/46/58/1134364658.db2.gz NKRIHSLEEGPWJW-SECBINFHSA-N 0 1 338.167 3.929 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000775136873 1134364666 /nfs/dbraw/zinc/36/46/66/1134364666.db2.gz NKRIHSLEEGPWJW-SECBINFHSA-N 0 1 338.167 3.929 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000775207664 1134519174 /nfs/dbraw/zinc/51/91/74/1134519174.db2.gz VWJJTAKALKGAII-UHFFFAOYSA-N 0 1 336.794 3.623 20 10 EHCDMN Cc1cc(NS(=O)(=O)c2cnc3ccsc3c2)c(C)c(C)c1O ZINC000775287878 1134618082 /nfs/dbraw/zinc/61/80/82/1134618082.db2.gz KBEDXAYTWFYKNK-UHFFFAOYSA-N 0 1 348.449 3.728 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000792174841 1134663567 /nfs/dbraw/zinc/66/35/67/1134663567.db2.gz IHKCPESUMWAQAU-QGZVFWFLSA-N 0 1 349.833 3.958 20 10 EHCDMN CCOC1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792789421 1134789460 /nfs/dbraw/zinc/78/94/60/1134789460.db2.gz IUIOSACCISDSQC-UHFFFAOYSA-N 0 1 330.394 3.772 20 10 EHCDMN CCCN(CCC)c1ccc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000793230310 1134880029 /nfs/dbraw/zinc/88/00/29/1134880029.db2.gz FVKIAONNUCKPGZ-NQIIRXRSSA-N 0 1 346.515 3.693 20 10 EHCDMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(O)c(C)c1C ZINC001191698793 1134909253 /nfs/dbraw/zinc/90/92/53/1134909253.db2.gz VTVISUWZTQWPRE-UHFFFAOYSA-N 0 1 349.452 3.942 20 10 EHCDMN COc1ccc(CNCc2ncc(-c3ccccc3)s2)c(O)c1 ZINC000793386045 1134920261 /nfs/dbraw/zinc/92/02/61/1134920261.db2.gz ICHWZHGCQLGCFF-UHFFFAOYSA-N 0 1 326.421 3.814 20 10 EHCDMN CC[C@@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000775503234 1134966606 /nfs/dbraw/zinc/96/66/06/1134966606.db2.gz DSYFQLQPEXNLPQ-DIOULYMOSA-N 0 1 344.293 3.993 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775527407 1135014764 /nfs/dbraw/zinc/01/47/64/1135014764.db2.gz XILWBNRZGNPCJQ-NVXWUHKLSA-N 0 1 337.822 3.829 20 10 EHCDMN Cc1[nH]c2ccc(CNC(=O)c3cc(O)c(O)c(Cl)c3)cc2c1C ZINC001193626585 1135161485 /nfs/dbraw/zinc/16/14/85/1135161485.db2.gz XHHIQAXXXGTUKP-UHFFFAOYSA-N 0 1 344.798 3.779 20 10 EHCDMN O=C(Nc1ccccc1-c1cnco1)c1cc(O)c(O)c(Cl)c1 ZINC001193626159 1135161496 /nfs/dbraw/zinc/16/14/96/1135161496.db2.gz WFGAJLKYDMZOOS-UHFFFAOYSA-N 0 1 330.727 3.659 20 10 EHCDMN CCCCOCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804941348 1135217510 /nfs/dbraw/zinc/21/75/10/1135217510.db2.gz RMVNIPVVJWWGBA-UHFFFAOYSA-N 0 1 349.258 3.705 20 10 EHCDMN O=S(=O)(Nc1ccc(O)cc1O)c1ccc2c(Cl)cccc2c1 ZINC001194215564 1135245188 /nfs/dbraw/zinc/24/51/88/1135245188.db2.gz JBCSYLIPAHYCMB-UHFFFAOYSA-N 0 1 349.795 3.705 20 10 EHCDMN C[C@@]1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCCS1 ZINC000805200042 1135246444 /nfs/dbraw/zinc/24/64/44/1135246444.db2.gz MOASOIBPZHVJKF-AWEZNQCLSA-N 0 1 349.283 3.784 20 10 EHCDMN Cc1nc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)oc1C ZINC000806217168 1135414027 /nfs/dbraw/zinc/41/40/27/1135414027.db2.gz CVHGAXYWKHFLIW-UHFFFAOYSA-N 0 1 330.171 3.626 20 10 EHCDMN Cc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000806357119 1135434424 /nfs/dbraw/zinc/43/44/24/1135434424.db2.gz GPNJBODGCCDRTB-UHFFFAOYSA-N 0 1 326.183 3.724 20 10 EHCDMN Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cnn1C(C)C ZINC000807839376 1135581480 /nfs/dbraw/zinc/58/14/80/1135581480.db2.gz MJTPVAGXMHNOIV-UHFFFAOYSA-N 0 1 342.226 3.715 20 10 EHCDMN O=C(CSC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000807839798 1135581502 /nfs/dbraw/zinc/58/15/02/1135581502.db2.gz RALDARWVFJZPHZ-UHFFFAOYSA-N 0 1 334.146 3.568 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1cc(N2CCCC2)ncn1 ZINC000808089232 1135615920 /nfs/dbraw/zinc/61/59/20/1135615920.db2.gz JRNHTRVDAZQVPG-UHFFFAOYSA-N 0 1 339.226 3.701 20 10 EHCDMN Cc1ccc(/C=C/S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808113733 1135618950 /nfs/dbraw/zinc/61/89/50/1135618950.db2.gz HVJWRXLVBGZZDB-VOTSOKGWSA-N 0 1 341.791 3.906 20 10 EHCDMN C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000808443819 1135668141 /nfs/dbraw/zinc/66/81/41/1135668141.db2.gz HMJDMJNKZANOIS-HWPZZCPQSA-N 0 1 334.213 3.767 20 10 EHCDMN CCOCC(C)(C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000808722724 1135722338 /nfs/dbraw/zinc/72/23/38/1135722338.db2.gz GSDXNOPQNYWGJA-LLVKDONJSA-N 0 1 330.266 3.868 20 10 EHCDMN C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000809701550 1135869906 /nfs/dbraw/zinc/86/99/06/1135869906.db2.gz GQXBJRNIRRIQAW-WFASDCNBSA-N 0 1 342.277 3.670 20 10 EHCDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000809701550 1135869908 /nfs/dbraw/zinc/86/99/08/1135869908.db2.gz GQXBJRNIRRIQAW-WFASDCNBSA-N 0 1 342.277 3.670 20 10 EHCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CCSCC1 ZINC000809713061 1135876241 /nfs/dbraw/zinc/87/62/41/1135876241.db2.gz HIBGWDKBRMIUHE-JTQLQIEISA-N 0 1 330.291 3.776 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713114 1135876311 /nfs/dbraw/zinc/87/63/11/1135876311.db2.gz IWMJFKBBBKJXRZ-UHFFFAOYSA-N 0 1 342.620 3.804 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758111 1135887764 /nfs/dbraw/zinc/88/77/64/1135887764.db2.gz COJSZEZGXSJNSK-STQMWFEESA-N 0 1 327.827 3.823 20 10 EHCDMN CC[C@H]([NH2+]CCSCCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216028 1135938583 /nfs/dbraw/zinc/93/85/83/1135938583.db2.gz CIMCKMOHGRDGSI-ZDUSSCGKSA-N 0 1 337.407 3.567 20 10 EHCDMN CC[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217983 1135939153 /nfs/dbraw/zinc/93/91/53/1135939153.db2.gz DKDYMKDFGHWUAX-UKRRQHHQSA-N 0 1 347.377 3.647 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223476 1135940620 /nfs/dbraw/zinc/94/06/20/1135940620.db2.gz LXIKQMVMTYPGFK-RLCCDNCMSA-N 0 1 342.405 3.934 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228727 1135941519 /nfs/dbraw/zinc/94/15/19/1135941519.db2.gz KDXHUFWOPZPRRN-MWLCHTKSSA-N 0 1 345.283 3.765 20 10 EHCDMN CC[C@H]([NH2+]CCN1CC=CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236939 1135945821 /nfs/dbraw/zinc/94/58/21/1135945821.db2.gz CASIQOFOUNUKSV-HNNXBMFYSA-N 0 1 328.378 3.714 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000776112624 1135959082 /nfs/dbraw/zinc/95/90/82/1135959082.db2.gz KDKGXHPQAZPHAQ-HNNXBMFYSA-N 0 1 345.748 3.888 20 10 EHCDMN CSCc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001201045358 1135981194 /nfs/dbraw/zinc/98/11/94/1135981194.db2.gz AWVYLPRPIGPYTI-UHFFFAOYSA-N 0 1 341.524 3.914 20 10 EHCDMN CC(C)(C)OC(=O)N1CCCN1Cc1c(O)ccc(Cl)c1F ZINC000811503832 1136101256 /nfs/dbraw/zinc/10/12/56/1136101256.db2.gz GBVLUELRLNLINF-UHFFFAOYSA-N 0 1 330.787 3.543 20 10 EHCDMN CC1(C)C[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000811511100 1136101957 /nfs/dbraw/zinc/10/19/57/1136101957.db2.gz VAGZIJFNISCILU-HIFRSBDPSA-N 0 1 340.261 3.544 20 10 EHCDMN COc1cc(CNCc2csc(N(C)C)n2)c(O)c(C(C)(C)C)c1 ZINC000850171086 1136216575 /nfs/dbraw/zinc/21/65/75/1136216575.db2.gz XSKZESSKUWDTJM-UHFFFAOYSA-N 0 1 349.500 3.511 20 10 EHCDMN COc1ccc(N2CC[C@@H](NCc3coc(-c4ccccc4)n3)C2)cc1 ZINC000850346243 1136238444 /nfs/dbraw/zinc/23/84/44/1136238444.db2.gz CXYHHTSMPIYFMY-QGZVFWFLSA-N 0 1 349.434 3.719 20 10 EHCDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000850422263 1136255710 /nfs/dbraw/zinc/25/57/10/1136255710.db2.gz KTCYMZIJSCCMTQ-CYBMUJFWSA-N 0 1 329.400 3.520 20 10 EHCDMN CC[C@@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000850484677 1136267984 /nfs/dbraw/zinc/26/79/84/1136267984.db2.gz NXHDHCSXMYSXER-GOSISDBHSA-N 0 1 346.858 3.923 20 10 EHCDMN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000850501191 1136272828 /nfs/dbraw/zinc/27/28/28/1136272828.db2.gz KNGRXYUJAPFYHK-ASKNOMKYSA-N 0 1 343.467 3.762 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(Br)ccc1[O-] ZINC000850533659 1136280618 /nfs/dbraw/zinc/28/06/18/1136280618.db2.gz ATXDZKNXTCJIPJ-NQBHXWOUSA-N 0 1 328.250 3.763 20 10 EHCDMN CNC(=O)CC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCCCC1 ZINC000850555303 1136284991 /nfs/dbraw/zinc/28/49/91/1136284991.db2.gz JSXNJNDAXPKSRN-CYBMUJFWSA-N 0 1 338.879 3.783 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000850558681 1136285483 /nfs/dbraw/zinc/28/54/83/1136285483.db2.gz STBYXGMKXZSMBX-STQMWFEESA-N 0 1 338.879 3.652 20 10 EHCDMN O=C(/C=C/c1ccc(O)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000813683796 1136356029 /nfs/dbraw/zinc/35/60/29/1136356029.db2.gz CVYPGYXBWLVWEH-ZZXKWVIFSA-N 0 1 338.190 3.734 20 10 EHCDMN Cc1cc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)ccc1N1CCCCC1 ZINC000851707670 1136400241 /nfs/dbraw/zinc/40/02/41/1136400241.db2.gz IGGDWABTTLRJKT-MRXNPFEDSA-N 0 1 330.472 3.813 20 10 EHCDMN CN(C)c1ccc(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000851708383 1136400668 /nfs/dbraw/zinc/40/06/68/1136400668.db2.gz VIHWJFBPPRLRIA-IEBWSBKVSA-N 0 1 330.472 3.608 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c1[O-] ZINC000852781485 1136485891 /nfs/dbraw/zinc/48/58/91/1136485891.db2.gz LRHWFLCHCKPLAV-LBPRGKRZSA-N 0 1 343.398 3.910 20 10 EHCDMN CC[C@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000111236232 1136525270 /nfs/dbraw/zinc/52/52/70/1136525270.db2.gz PWURFURYDQFMOT-KRWDZBQOSA-N 0 1 346.858 3.745 20 10 EHCDMN Oc1cc2c(cc1CN1CC3(CCCC3)[C@@H]1c1ccco1)OCO2 ZINC000853538650 1136542349 /nfs/dbraw/zinc/54/23/49/1136542349.db2.gz IJVLOSNINCWJBI-SFHVURJKSA-N 0 1 327.380 3.831 20 10 EHCDMN COc1cc(CN2CC3(CCOCC3)[C@@H]2c2ccco2)c(O)cc1C ZINC000853550391 1136543855 /nfs/dbraw/zinc/54/38/55/1136543855.db2.gz MZXXBCKIQOISJQ-IBGZPJMESA-N 0 1 343.423 3.656 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000776690002 1136556916 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Cn1nc(CC[NH2+]Cc2ccc3ccccc3c2[O-])c2ccccc21 ZINC000816572606 1136738576 /nfs/dbraw/zinc/73/85/76/1136738576.db2.gz WYMQZQCFQYAELS-UHFFFAOYSA-N 0 1 331.419 3.764 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000816598219 1136740077 /nfs/dbraw/zinc/74/00/77/1136740077.db2.gz SZLZLODJKUYLCJ-ZOCZFRKYSA-N 0 1 341.451 3.704 20 10 EHCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000816598219 1136740080 /nfs/dbraw/zinc/74/00/80/1136740080.db2.gz SZLZLODJKUYLCJ-ZOCZFRKYSA-N 0 1 341.451 3.704 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000816611004 1136740887 /nfs/dbraw/zinc/74/08/87/1136740887.db2.gz FOPDABNAHSBGJK-OLZOCXBDSA-N 0 1 327.827 3.823 20 10 EHCDMN Cn1c2ccccc2cc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1=O ZINC000816617453 1136741715 /nfs/dbraw/zinc/74/17/15/1136741715.db2.gz ZMRBUWPYTCXACS-UHFFFAOYSA-N 0 1 344.414 3.687 20 10 EHCDMN C[C@@H](N[C@H](C)c1ccncc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000817574509 1136821211 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3.711 20 10 EHCDMN Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nc1 ZINC000858014070 1136930954 /nfs/dbraw/zinc/93/09/54/1136930954.db2.gz LPPJPACETDLNGM-OAHLLOKOSA-N 0 1 332.831 3.711 20 10 EHCDMN CC[C@@H](CC(F)(F)F)[NH2+]Cc1c([O-])cccc1Br ZINC000858157262 1136944802 /nfs/dbraw/zinc/94/48/02/1136944802.db2.gz WLKLMOUMWZVLTM-QMMMGPOBSA-N 0 1 326.156 3.975 20 10 EHCDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Br)[C@@H]1CCCCO1 ZINC000858185600 1136947669 /nfs/dbraw/zinc/94/76/69/1136947669.db2.gz FMLFAHYKUWOUQH-ZFWWWQNUSA-N 0 1 328.250 3.592 20 10 EHCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccns1 ZINC000858578052 1136980044 /nfs/dbraw/zinc/98/00/44/1136980044.db2.gz MJPJTTBNMZEGNC-QWHCGFSZSA-N 0 1 335.448 3.531 20 10 EHCDMN CO[C@@]1(C)CCC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862351579 1137139549 /nfs/dbraw/zinc/13/95/49/1137139549.db2.gz QQQMWWJOINDJFV-HNNXBMFYSA-N 0 1 328.250 3.546 20 10 EHCDMN CO[C@@]1(C)CCC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862351579 1137139550 /nfs/dbraw/zinc/13/95/50/1137139550.db2.gz QQQMWWJOINDJFV-HNNXBMFYSA-N 0 1 328.250 3.546 20 10 EHCDMN CC1(C)CN(Cc2c(O)cccc2Br)[C@H]1[C@@H]1CCCO1 ZINC000862371904 1137140891 /nfs/dbraw/zinc/14/08/91/1137140891.db2.gz NSHMPTKDVDKKNU-GJZGRUSLSA-N 0 1 340.261 3.544 20 10 EHCDMN CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000824644433 1137145670 /nfs/dbraw/zinc/14/56/70/1137145670.db2.gz PIHHZEXYSBJAEO-GVXVVHGQSA-N 0 1 341.320 3.856 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862540458 1137148942 /nfs/dbraw/zinc/14/89/42/1137148942.db2.gz FWYRMBOHVLYEJR-CYBMUJFWSA-N 0 1 348.240 3.850 20 10 EHCDMN CO[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])CC1(C)C ZINC000824820274 1137153779 /nfs/dbraw/zinc/15/37/79/1137153779.db2.gz COMNGHMQHPGGRA-AWEZNQCLSA-N 0 1 342.277 3.710 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1Cl ZINC000825277847 1137172620 /nfs/dbraw/zinc/17/26/20/1137172620.db2.gz GSZPRIDLYCIBQF-HNNXBMFYSA-N 0 1 344.842 3.529 20 10 EHCDMN Cc1cnc([C@H](C)C[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000825509419 1137180377 /nfs/dbraw/zinc/18/03/77/1137180377.db2.gz KKVCBCBKEXXWRZ-SECBINFHSA-N 0 1 341.274 3.813 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)cc1Cl ZINC000825484437 1137181270 /nfs/dbraw/zinc/18/12/70/1137181270.db2.gz LSKXPLBHXLFXRW-UHFFFAOYSA-N 0 1 346.814 3.600 20 10 EHCDMN CCN(CC)c1ccc(CNC(=O)[C@@H](N)c2cccc(Cl)c2)cc1 ZINC000844173106 1137201354 /nfs/dbraw/zinc/20/13/54/1137201354.db2.gz ORGLWSVYXHNGFN-SFHVURJKSA-N 0 1 345.874 3.502 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000863739002 1137201575 /nfs/dbraw/zinc/20/15/75/1137201575.db2.gz GPGXBAUQQAFJDU-APWZRJJASA-N 0 1 332.488 3.856 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)c(F)cc2[O-])CCC1(F)F ZINC001144299212 1137268460 /nfs/dbraw/zinc/26/84/60/1137268460.db2.gz RPOLOMVFJKNSBX-MRVPVSSYSA-N 0 1 338.167 3.771 20 10 EHCDMN C[C@@H]1c2cccn2CCN1Cc1cc(Br)c(F)cc1O ZINC001144306512 1137270815 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ZINC000846109048 1137332823 /nfs/dbraw/zinc/33/28/23/1137332823.db2.gz SLDVHMVFYFRVAE-ZDUSSCGKSA-N 0 1 332.188 3.776 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846109048 1137332825 /nfs/dbraw/zinc/33/28/25/1137332825.db2.gz SLDVHMVFYFRVAE-ZDUSSCGKSA-N 0 1 332.188 3.776 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846107528 1137332875 /nfs/dbraw/zinc/33/28/75/1137332875.db2.gz IXDJGDBXAAINGL-CYBMUJFWSA-N 0 1 332.188 3.776 20 10 EHCDMN CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000846185063 1137340282 /nfs/dbraw/zinc/34/02/82/1137340282.db2.gz UPVQFIDMUIURFF-WDMOLILDSA-N 0 1 330.266 3.602 20 10 EHCDMN Cc1cc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)ccc1N1CCCCC1 ZINC000846275190 1137344846 /nfs/dbraw/zinc/34/48/46/1137344846.db2.gz DUNISFOERQLEBT-MRXNPFEDSA-N 0 1 330.472 3.670 20 10 EHCDMN C[C@@H](NCc1nn(C)cc1C(F)F)c1cc2c(cc1O)CCCC2 ZINC000866566053 1137365137 /nfs/dbraw/zinc/36/51/37/1137365137.db2.gz WZMHGRDWNLXRBG-LLVKDONJSA-N 0 1 335.398 3.793 20 10 EHCDMN O=C(NCC[C@H]1CCSC1)NCc1cc(Cl)cc(Cl)c1O ZINC000868825742 1137425172 /nfs/dbraw/zinc/42/51/72/1137425172.db2.gz JZGXTSJHCNKWCS-VIFPVBQESA-N 0 1 349.283 3.641 20 10 EHCDMN CCN(C)c1ccc([C@@H](C)N[C@H](CO)c2ccccc2OC)cc1 ZINC000773013141 1137459382 /nfs/dbraw/zinc/45/93/82/1137459382.db2.gz XBUBVEZALFPJEV-DNVCBOLYSA-N 0 1 328.456 3.536 20 10 EHCDMN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc[nH]1 ZINC000773120535 1137466901 /nfs/dbraw/zinc/46/69/01/1137466901.db2.gz PKVKPOGSWVZZGZ-ZIAGYGMSSA-N 0 1 333.863 3.917 20 10 EHCDMN Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000872131997 1137573290 /nfs/dbraw/zinc/57/32/90/1137573290.db2.gz AWHBMWGNFPTLMS-GXSJLCMTSA-N 0 1 336.233 3.665 20 10 EHCDMN CCCOc1ccc(CN[C@@H](C)C(=O)Nc2cccnc2C)cc1C ZINC000873130224 1137590935 /nfs/dbraw/zinc/59/09/35/1137590935.db2.gz BBDWATKAVQMKTH-INIZCTEOSA-N 0 1 341.455 3.604 20 10 EHCDMN Cc1cccc(CCC[NH2+]Cc2ccc(Br)cc2[O-])n1 ZINC000825882734 1137653926 /nfs/dbraw/zinc/65/39/26/1137653926.db2.gz NWYNNGVWICJZDY-UHFFFAOYSA-N 0 1 335.245 3.581 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1Cl ZINC000825885557 1137654618 /nfs/dbraw/zinc/65/46/18/1137654618.db2.gz HXVYWXMDVWZIMA-CQSZACIVSA-N 0 1 337.769 3.633 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1Cl ZINC000825885557 1137654619 /nfs/dbraw/zinc/65/46/19/1137654619.db2.gz HXVYWXMDVWZIMA-CQSZACIVSA-N 0 1 337.769 3.633 20 10 EHCDMN Cc1cc(O)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000825955785 1137674226 /nfs/dbraw/zinc/67/42/26/1137674226.db2.gz RZGYORNUNRFZES-CYBMUJFWSA-N 0 1 326.227 3.651 20 10 EHCDMN O=C(NC1CCCC1)c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877607658 1137682740 /nfs/dbraw/zinc/68/27/40/1137682740.db2.gz GHXLTWCOIURVSV-UHFFFAOYSA-N 0 1 346.377 3.955 20 10 EHCDMN COc1cc(Cl)cc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877673204 1137685453 /nfs/dbraw/zinc/68/54/53/1137685453.db2.gz PKXKTPVVPMJSBF-IAGOWNOFSA-N 0 1 347.842 3.752 20 10 EHCDMN C[C@@H](NCc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1O ZINC000877756024 1137688170 /nfs/dbraw/zinc/68/81/70/1137688170.db2.gz ZITXPDTVDIDNGO-CQSZACIVSA-N 0 1 334.423 3.701 20 10 EHCDMN CC1(C)N[C@@H](c2cccc(Cl)c2O)N(CC2CCCCC2)C1=O ZINC000877857512 1137693637 /nfs/dbraw/zinc/69/36/37/1137693637.db2.gz SQQDZBKUNDXKAU-MRXNPFEDSA-N 0 1 336.863 3.835 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000826053863 1137721502 /nfs/dbraw/zinc/72/15/02/1137721502.db2.gz OCRDRYZZQONWFG-LBPRGKRZSA-N 0 1 340.261 3.594 20 10 EHCDMN CCOc1ccc(O)c(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000130670789 1137840673 /nfs/dbraw/zinc/84/06/73/1137840673.db2.gz JWLKCQFJJOGZIG-YWZLYKJASA-N 0 1 327.424 3.753 20 10 EHCDMN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000101905916 1137871978 /nfs/dbraw/zinc/87/19/78/1137871978.db2.gz PLMPMXLGMPMXRC-INIZCTEOSA-N 0 1 340.467 3.674 20 10 EHCDMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000101905916 1137871979 /nfs/dbraw/zinc/87/19/79/1137871979.db2.gz PLMPMXLGMPMXRC-INIZCTEOSA-N 0 1 340.467 3.674 20 10 EHCDMN C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(Br)cc1[O-] ZINC000886684047 1138114594 /nfs/dbraw/zinc/11/45/94/1138114594.db2.gz CVVYZQYVTVRCOR-SECBINFHSA-N 0 1 337.217 3.871 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc2ccccc2c1[O-] ZINC000886764205 1138135142 /nfs/dbraw/zinc/13/51/42/1138135142.db2.gz NPHAJARKRFDTCW-BONWFUQQSA-N 0 1 341.451 3.923 20 10 EHCDMN Fc1ccc(C2(NCc3ccc4c(c3)CCO4)CCOCC2)c(F)c1 ZINC000089802365 1138205470 /nfs/dbraw/zinc/20/54/70/1138205470.db2.gz COSCOACDDYQIEQ-UHFFFAOYSA-N 0 1 345.389 3.695 20 10 EHCDMN C[C@H](NCc1cccnc1OCC(F)F)c1ccc(N(C)C)cc1 ZINC000090942231 1138214380 /nfs/dbraw/zinc/21/43/80/1138214380.db2.gz PXLSFBNSRKUUDE-ZDUSSCGKSA-N 0 1 335.398 3.642 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000136857278 1138819200 /nfs/dbraw/zinc/81/92/00/1138819200.db2.gz XNSQAQDHQKXOPY-UHFFFAOYSA-N 0 1 344.160 3.588 20 10 EHCDMN C[C@H](C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000183253791 1140024412 /nfs/dbraw/zinc/02/44/12/1140024412.db2.gz LJASYFJZPCLISS-SECBINFHSA-N 0 1 341.820 3.646 20 10 EHCDMN Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cnn1C ZINC000185001655 1140130510 /nfs/dbraw/zinc/13/05/10/1140130510.db2.gz ANUQRCWBFZQCAP-VHSXEESVSA-N 0 1 338.249 3.608 20 10 EHCDMN Cc1c([C@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])cnn1C ZINC000185001717 1140130790 /nfs/dbraw/zinc/13/07/90/1140130790.db2.gz ANUQRCWBFZQCAP-ZJUUUORDSA-N 0 1 338.249 3.608 20 10 EHCDMN COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000185312646 1140144552 /nfs/dbraw/zinc/14/45/52/1140144552.db2.gz CFHVWTSRFZPJKZ-CABCVRRESA-N 0 1 344.430 3.717 20 10 EHCDMN CCCNC(=O)c1cccc(N[C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187887929 1140275759 /nfs/dbraw/zinc/27/57/59/1140275759.db2.gz OHJHIVBWCKTNNG-NSHDSACASA-N 0 1 334.366 3.983 20 10 EHCDMN COc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c(OC)c1 ZINC000113321421 1140813504 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CC(C)C[N@@H+](Cc1c(O)ccc(Cl)c1F)CC(C)(C)C(=O)[O-] ZINC001591342534 992322123 /nfs/dbraw/zinc/32/21/23/992322123.db2.gz GPEXNJBEDSESPX-UHFFFAOYSA-N 0 1 331.815 3.754 20 10 EHCDMN C[C@@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001594346011 999310856 /nfs/dbraw/zinc/31/08/56/999310856.db2.gz KQAADAMZSOMEGY-CHWSQXEVSA-N 0 1 325.836 3.759 20 10 EHCDMN COc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c(OC)c1 ZINC000528673670 1032561830 /nfs/dbraw/zinc/56/18/30/1032561830.db2.gz WMZKGMVZSHTOLJ-NSHDSACASA-N 0 1 347.386 3.602 20 10 EHCDMN CCOc1ccc(O)c(CNCc2ccsc2Br)c1 ZINC000282138442 1123115901 /nfs/dbraw/zinc/11/59/01/1123115901.db2.gz AOIYHVKRMQVJKR-UHFFFAOYSA-N 0 1 342.258 3.905 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](CCO)Cc2ccc(C)cc2)c1[O-] ZINC000783032436 1017961521 /nfs/dbraw/zinc/96/15/21/1017961521.db2.gz ZKNUVYBUNQKOTC-UHFFFAOYSA-N 0 1 347.842 3.551 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CCO)Cc2ccc(C)cc2)c1[O-] ZINC000783032436 1017961531 /nfs/dbraw/zinc/96/15/31/1017961531.db2.gz ZKNUVYBUNQKOTC-UHFFFAOYSA-N 0 1 347.842 3.551 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000377795599 1018379993 /nfs/dbraw/zinc/37/99/93/1018379993.db2.gz FYGQERHGIBQVMP-IUCAKERBSA-N 0 1 326.227 3.630 20 10 EHCDMN CN(Cc1ccc([S@](C)=O)cc1)Cc1cc2c(cc1O)CCCC2 ZINC000160363932 1018614183 /nfs/dbraw/zinc/61/41/83/1018614183.db2.gz YSSVFXJEHXVBMY-XMMPIXPASA-N 0 1 343.492 3.640 20 10 EHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172772852 1032937540 /nfs/dbraw/zinc/93/75/40/1032937540.db2.gz XPFLVCCSJXUADJ-INIZCTEOSA-N 0 1 348.487 3.861 20 10 EHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172772852 1032937545 /nfs/dbraw/zinc/93/75/45/1032937545.db2.gz XPFLVCCSJXUADJ-INIZCTEOSA-N 0 1 348.487 3.861 20 10 EHCDMN C[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(Br)cc1[O-] ZINC000834885107 1021039252 /nfs/dbraw/zinc/03/92/52/1021039252.db2.gz GPABGOLDLYQAGO-LLVKDONJSA-N 0 1 346.240 3.572 20 10 EHCDMN COc1ccc(CNCc2c(F)cccc2SC)c(O)c1OC ZINC000894389510 1021752809 /nfs/dbraw/zinc/75/28/09/1021752809.db2.gz RVXUGTAQOPUXAZ-UHFFFAOYSA-N 0 1 337.416 3.560 20 10 EHCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894603559 1022597842 /nfs/dbraw/zinc/59/78/42/1022597842.db2.gz TVZGKRSTJOSEAX-CQSZACIVSA-N 0 1 348.668 3.545 20 10 EHCDMN CCOCc1cc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)ccc1OC ZINC000276759698 1022644500 /nfs/dbraw/zinc/64/45/00/1022644500.db2.gz ADZMYPJVGXXBRK-UONOGXRCSA-N 0 1 346.475 3.714 20 10 EHCDMN COc1cc(C)cc(CNCc2ccsc2Br)c1O ZINC000894671635 1022686964 /nfs/dbraw/zinc/68/69/64/1022686964.db2.gz JLTJJGUYPZIQNI-UHFFFAOYSA-N 0 1 342.258 3.823 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc2c1NCCC2 ZINC000894755013 1022853219 /nfs/dbraw/zinc/85/32/19/1022853219.db2.gz KRZIPSLEIFAVTF-UHFFFAOYSA-N 0 1 347.256 3.803 20 10 EHCDMN C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(F)c(F)c1[O-] ZINC000276852801 1023219681 /nfs/dbraw/zinc/21/96/81/1023219681.db2.gz BGIHTIXAALBFSU-JTQLQIEISA-N 0 1 340.370 3.824 20 10 EHCDMN Cc1n[nH]cc1CNCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000281906266 1024457428 /nfs/dbraw/zinc/45/74/28/1024457428.db2.gz FXFIRZSTAHADFE-ZDUSSCGKSA-N 0 1 332.879 3.898 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000896282184 1025314433 /nfs/dbraw/zinc/31/44/33/1025314433.db2.gz WOEIKAFWPGORFZ-UHFFFAOYSA-N 0 1 347.256 3.718 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN[C@H]1c2ccccc2OC[C@H]1F ZINC000896424085 1025437304 /nfs/dbraw/zinc/43/73/04/1025437304.db2.gz XRLSLCHEESLEOA-CJNGLKHVSA-N 0 1 325.742 3.746 20 10 EHCDMN Cn1ccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000896491973 1025481738 /nfs/dbraw/zinc/48/17/38/1025481738.db2.gz HJRNNGZKMHJRCN-LLVKDONJSA-N 0 1 340.254 3.812 20 10 EHCDMN C[C@H]1CCCN(c2ccc(CNCc3cnn(C)c3)cc2Cl)C1 ZINC000281916090 1025697065 /nfs/dbraw/zinc/69/70/65/1025697065.db2.gz GMQQIOIGBAHQJJ-AWEZNQCLSA-N 0 1 332.879 3.600 20 10 EHCDMN CN(Cc1cnc2ccccn12)Cc1ccc(N2CCCCC2)cc1 ZINC000158267477 1026190094 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EHCDMN CC1(C)C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C(C)(C)O1 ZINC000529391812 1033882622 /nfs/dbraw/zinc/88/26/22/1033882622.db2.gz JKICUPYSLPSWKK-NSHDSACASA-N 0 1 346.254 3.909 20 10 EHCDMN CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c(O)c1 ZINC000761226959 1034819412 /nfs/dbraw/zinc/81/94/12/1034819412.db2.gz XZKIUJDNQMDICF-FQEVSTJZSA-N 0 1 341.451 3.564 20 10 EHCDMN C[C@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000186633915 1035674913 /nfs/dbraw/zinc/67/49/13/1035674913.db2.gz YZHFLUSMUKVHPL-BUXKBTBVSA-N 0 1 343.377 3.844 20 10 EHCDMN Cc1ccc(C)c(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000255897161 1036278645 /nfs/dbraw/zinc/27/86/45/1036278645.db2.gz LOHAHTJRZGQENJ-LFIBNONCSA-N 0 1 346.521 3.599 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000156004461 1039454717 /nfs/dbraw/zinc/45/47/17/1039454717.db2.gz GPIQCBSCDTYBHK-IINYFYTJSA-N 0 1 338.249 3.690 20 10 EHCDMN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(OC)c1OC ZINC000164535649 1042356620 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CC(C)N(CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccc(N(C)C)cc1 ZINC000917074932 1122472091 /nfs/dbraw/zinc/47/20/91/1122472091.db2.gz MATLWZBMGSTIBP-PXNSSMCTSA-N 0 1 345.531 3.658 20 10 EHCDMN CCn1c(CN[C@@H](C)c2cc(OC)ccc2O)nc2c1cccc2F ZINC000182471484 1125306977 /nfs/dbraw/zinc/30/69/77/1125306977.db2.gz FRXOQNLRUINHDU-LBPRGKRZSA-N 0 1 343.402 3.760 20 10 EHCDMN O=C(C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([O-])c(O)c1 ZINC001172540565 1131781951 /nfs/dbraw/zinc/78/19/51/1131781951.db2.gz ORYJJNDLKPDOJM-NVXWUHKLSA-N 0 1 325.408 3.597 20 10 EHCDMN CCOC(=O)[C@@H]1CC12CCC([N@H+](CC)Cc1ccccc1[O-])CC2 ZINC001173622551 1132108057 /nfs/dbraw/zinc/10/80/57/1132108057.db2.gz KYQRTDHUACACRM-GNZRSQJKSA-N 0 1 331.456 3.726 20 10 EHCDMN CCOC(=O)[C@@H]1CC12CCC([N@@H+](CC)Cc1ccccc1[O-])CC2 ZINC001173622551 1132108061 /nfs/dbraw/zinc/10/80/61/1132108061.db2.gz KYQRTDHUACACRM-GNZRSQJKSA-N 0 1 331.456 3.726 20 10 EHCDMN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])C1 ZINC000798003497 1132556097 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COC[C@@H]1CCCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000768541554 1133153961 /nfs/dbraw/zinc/15/39/61/1133153961.db2.gz PHWFGFWWWMVCAU-CYBMUJFWSA-N 0 1 342.277 3.712 20 10 EHCDMN Oc1c(Br)cccc1CN1CCc2cccc(F)c2C1 ZINC000769435778 1133284627 /nfs/dbraw/zinc/28/46/27/1133284627.db2.gz RZMUOJHYQBLNLG-UHFFFAOYSA-N 0 1 336.204 3.852 20 10 EHCDMN COCC[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CCCC1 ZINC001179859527 1133295006 /nfs/dbraw/zinc/29/50/06/1133295006.db2.gz QSPBXIBFMCFOLM-UHFFFAOYSA-N 0 1 346.240 3.685 20 10 EHCDMN C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC(C)(C)O1 ZINC001180039415 1133320121 /nfs/dbraw/zinc/32/01/21/1133320121.db2.gz WYJOAUXBEYXZQU-INIZCTEOSA-N 0 1 341.451 3.971 20 10 EHCDMN COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001180081721 1133326060 /nfs/dbraw/zinc/32/60/60/1133326060.db2.gz NDWBGTKSYWJRFK-CYBMUJFWSA-N 0 1 335.394 3.990 20 10 EHCDMN Oc1ccccc1CN(Cc1nncn1-c1ccccc1)C1CCCC1 ZINC000769723372 1133335479 /nfs/dbraw/zinc/33/54/79/1133335479.db2.gz 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COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000771877630 1133605258 /nfs/dbraw/zinc/60/52/58/1133605258.db2.gz QHJRIQXAZBGYHQ-XIKOKIGWSA-N 0 1 335.831 3.920 20 10 EHCDMN CCO[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000771939629 1133617594 /nfs/dbraw/zinc/61/75/94/1133617594.db2.gz SIVOWIRLVVQXMC-KRWDZBQOSA-N 0 1 347.459 3.586 20 10 EHCDMN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001182450835 1133671078 /nfs/dbraw/zinc/67/10/78/1133671078.db2.gz ADCKOCGEYBVQFV-OCCSQVGLSA-N 0 1 339.863 3.988 20 10 EHCDMN CC(C)(C)OC(=O)C[N@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC001182635159 1133708555 /nfs/dbraw/zinc/70/85/55/1133708555.db2.gz XHYQGSSCXQDTEW-UHFFFAOYSA-N 0 1 325.836 3.742 20 10 EHCDMN CC(C)(C)OC(=O)C[N@@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC001182635159 1133708558 /nfs/dbraw/zinc/70/85/58/1133708558.db2.gz XHYQGSSCXQDTEW-UHFFFAOYSA-N 0 1 325.836 3.742 20 10 EHCDMN CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1cc(Cl)ccc1[O-] ZINC000786581986 1133870285 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COc1c([O-])c(C[N@@H+](Cc2ccc(F)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000774816127 1134025554 /nfs/dbraw/zinc/02/55/54/1134025554.db2.gz YQXPKMHYJAIGCX-UHFFFAOYSA-N 0 1 346.358 3.613 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000746755686 1134155118 /nfs/dbraw/zinc/15/51/18/1134155118.db2.gz RPBNAABZKCKWLZ-UHFFFAOYSA-N 0 1 346.736 3.628 20 10 EHCDMN COc1c([O-])c(C[NH2+][C@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000775106608 1134311304 /nfs/dbraw/zinc/31/13/04/1134311304.db2.gz IRAISTLRCKJKFW-LLVKDONJSA-N 0 1 342.351 3.906 20 10 EHCDMN COC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccc(F)c(F)c1 ZINC000775392101 1134714889 /nfs/dbraw/zinc/71/48/89/1134714889.db2.gz DUHRDXWDCJWGHG-LJQANCHMSA-N 0 1 334.410 3.817 20 10 EHCDMN CC[C@@H]1C[C@H](N2CCc3c(c4cc(OC)ccc4n3C)C2)CCO1 ZINC001170227994 1134723554 /nfs/dbraw/zinc/72/35/54/1134723554.db2.gz RIBICLMPUSDLMC-HUUCEWRRSA-N 0 1 328.456 3.503 20 10 EHCDMN Cc1ccc(CN(CCO)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000793367372 1134913166 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C[C@@]1(c2ccccc2)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000775693938 1135531574 /nfs/dbraw/zinc/53/15/74/1135531574.db2.gz BVCAILNNEYJNIG-SFHVURJKSA-N 0 1 335.806 3.932 20 10 EHCDMN C[C@@]1(c2ccccc2)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000775693938 1135531577 /nfs/dbraw/zinc/53/15/77/1135531577.db2.gz BVCAILNNEYJNIG-SFHVURJKSA-N 0 1 335.806 3.932 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000775716812 1135556878 /nfs/dbraw/zinc/55/68/78/1135556878.db2.gz HAAAFOLOGLEBLS-IBGZPJMESA-N 0 1 347.817 3.859 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000775716812 1135556882 /nfs/dbraw/zinc/55/68/82/1135556882.db2.gz HAAAFOLOGLEBLS-IBGZPJMESA-N 0 1 347.817 3.859 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000775716813 1135557189 /nfs/dbraw/zinc/55/71/89/1135557189.db2.gz HAAAFOLOGLEBLS-LJQANCHMSA-N 0 1 347.817 3.859 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000775716813 1135557195 /nfs/dbraw/zinc/55/71/95/1135557195.db2.gz HAAAFOLOGLEBLS-LJQANCHMSA-N 0 1 347.817 3.859 20 10 EHCDMN CCC[C@@H]1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000807840574 1135575389 /nfs/dbraw/zinc/57/53/89/1135575389.db2.gz DYXLUAZFJXDTIF-GXFFZTMASA-N 0 1 346.254 3.911 20 10 EHCDMN C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807841214 1135576255 /nfs/dbraw/zinc/57/62/55/1135576255.db2.gz VFXAXCUAPWRLHW-CYBMUJFWSA-N 0 1 345.270 3.580 20 10 EHCDMN CC[C@H]1C[C@H](CC(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000807838525 1135581588 /nfs/dbraw/zinc/58/15/88/1135581588.db2.gz VVJMCHPJXVJZCE-MFKMUULPSA-N 0 1 346.254 3.911 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1scnc1C1CC1 ZINC000807838564 1135581613 /nfs/dbraw/zinc/58/16/13/1135581613.db2.gz XKRHEPLPEDONDA-UHFFFAOYSA-N 0 1 343.235 3.963 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccncc1Cl ZINC000807837966 1135581714 /nfs/dbraw/zinc/58/17/14/1135581714.db2.gz HVEZFJKZPWJIEQ-UHFFFAOYSA-N 0 1 331.586 3.677 20 10 EHCDMN COC1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807839131 1135581853 /nfs/dbraw/zinc/58/18/53/1135581853.db2.gz IGDYQWAEOJOZPE-UHFFFAOYSA-N 0 1 332.227 3.520 20 10 EHCDMN CC(=O)[C@@H]1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1(C)C ZINC000807838415 1135581957 /nfs/dbraw/zinc/58/19/57/1135581957.db2.gz QREPPLHPGNVIET-NWDGAFQWSA-N 0 1 344.238 3.567 20 10 EHCDMN CCc1ccccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808113891 1135618682 /nfs/dbraw/zinc/61/86/82/1135618682.db2.gz KRDDKKGBAVPNBH-UHFFFAOYSA-N 0 1 329.780 3.548 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(Br)ccc1[O-] ZINC000808728032 1135724423 /nfs/dbraw/zinc/72/44/23/1135724423.db2.gz NLLKDTBBEZBDFL-VXGBXAGGSA-N 0 1 348.240 3.982 20 10 EHCDMN Cc1cc(O)c(C[NH2+]Cc2cc(Br)ccc2[O-])cc1C ZINC000809712328 1135876567 /nfs/dbraw/zinc/87/65/67/1135876567.db2.gz JJYKHDUYGUZPNI-UHFFFAOYSA-N 0 1 336.229 3.767 20 10 EHCDMN CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225152 1135940630 /nfs/dbraw/zinc/94/06/30/1135940630.db2.gz VUCORBMMNWLBOJ-ZDUSSCGKSA-N 0 1 346.393 3.757 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223312 1135940682 /nfs/dbraw/zinc/94/06/82/1135940682.db2.gz KVWVACFFKMIJMR-GXTWGEPZSA-N 0 1 339.361 3.732 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223477 1135940744 /nfs/dbraw/zinc/94/07/44/1135940744.db2.gz LXIKQMVMTYPGFK-UVBJJODRSA-N 0 1 342.405 3.934 20 10 EHCDMN CC[C@@H]([NH2+]CCCNC(=O)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229338 1135941507 /nfs/dbraw/zinc/94/15/07/1135941507.db2.gz VXDKPXPJPYXWLJ-CQSZACIVSA-N 0 1 346.393 3.614 20 10 EHCDMN CC[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239135 1135946378 /nfs/dbraw/zinc/94/63/78/1135946378.db2.gz RYEWOFGATYWZMO-SNVBAGLBSA-N 0 1 331.256 3.988 20 10 EHCDMN CC1(C)CN(Cc2cc(Br)ccc2O)[C@H]1[C@@H]1CCCO1 ZINC000811511094 1136102044 /nfs/dbraw/zinc/10/20/44/1136102044.db2.gz UWKWDVPXJOTGJY-GJZGRUSLSA-N 0 1 340.261 3.544 20 10 EHCDMN CO[C@@](C)(C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])C1CC1 ZINC000812734453 1136239148 /nfs/dbraw/zinc/23/91/48/1136239148.db2.gz MRJWYJZLJOCAEF-BONVTDFDSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000850541389 1136281946 /nfs/dbraw/zinc/28/19/46/1136281946.db2.gz VYKDNFDNPGWKTR-QEORTHHSSA-N 0 1 333.863 3.841 20 10 EHCDMN CC[C@@H]([NH2+]CCc1cncc(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850550716 1136283994 /nfs/dbraw/zinc/28/39/94/1136283994.db2.gz PVKKWRYGNZIZKZ-OAHLLOKOSA-N 0 1 339.361 3.793 20 10 EHCDMN Oc1ccccc1CN(CCOCC(F)(F)F)Cc1ccco1 ZINC000109760935 1136339275 /nfs/dbraw/zinc/33/92/75/1136339275.db2.gz FXRIUBJDFIFIRA-UHFFFAOYSA-N 0 1 329.318 3.566 20 10 EHCDMN C[C@@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc2ccccc2c1 ZINC000109770278 1136340073 /nfs/dbraw/zinc/34/00/73/1136340073.db2.gz GEYIJMKJTWEMDO-MRXNPFEDSA-N 0 1 348.446 3.855 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1[O-] ZINC000852594310 1136469360 /nfs/dbraw/zinc/46/93/60/1136469360.db2.gz BGHDJTRXNZFKTI-RDTXWAMCSA-N 0 1 335.419 3.515 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1[O-] ZINC000852594310 1136469362 /nfs/dbraw/zinc/46/93/62/1136469362.db2.gz BGHDJTRXNZFKTI-RDTXWAMCSA-N 0 1 335.419 3.515 20 10 EHCDMN CC[N@H+](CCC1(OC)CCC1)Cc1cc(Br)ccc1[O-] ZINC000815054799 1136540568 /nfs/dbraw/zinc/54/05/68/1136540568.db2.gz MNFKXLBPQIQDNA-UHFFFAOYSA-N 0 1 342.277 3.936 20 10 EHCDMN CC[N@@H+](CCC1(OC)CCC1)Cc1cc(Br)ccc1[O-] ZINC000815054799 1136540571 /nfs/dbraw/zinc/54/05/71/1136540571.db2.gz MNFKXLBPQIQDNA-UHFFFAOYSA-N 0 1 342.277 3.936 20 10 EHCDMN Oc1ccc(Br)cc1CNCc1c(F)cc(F)cc1F ZINC000815151757 1136557511 /nfs/dbraw/zinc/55/75/11/1136557511.db2.gz CHMZNCUAVKSEMN-UHFFFAOYSA-N 0 1 346.146 3.862 20 10 EHCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCO[C@@H](C2CC2)C1)CCCC3 ZINC000776767436 1136656184 /nfs/dbraw/zinc/65/61/84/1136656184.db2.gz HPGZJTMWLKOMCT-LJQANCHMSA-N 0 1 327.424 3.628 20 10 EHCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCO[C@@H](C2CC2)C1)CCCC3 ZINC000776767436 1136656186 /nfs/dbraw/zinc/65/61/86/1136656186.db2.gz HPGZJTMWLKOMCT-LJQANCHMSA-N 0 1 327.424 3.628 20 10 EHCDMN COc1cccc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)c1 ZINC000816481444 1136723157 /nfs/dbraw/zinc/72/31/57/1136723157.db2.gz WOPONMGBBGJEJN-UHFFFAOYSA-N 0 1 348.446 3.876 20 10 EHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1F ZINC000816482954 1136723846 /nfs/dbraw/zinc/72/38/46/1136723846.db2.gz ZUKJDMYBKRKDFA-UHFFFAOYSA-N 0 1 327.758 3.964 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000816569396 1136738100 /nfs/dbraw/zinc/73/81/00/1136738100.db2.gz KBORLYVEGGBFTQ-GOSISDBHSA-N 0 1 349.833 3.958 20 10 EHCDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])NC(=O)OC(C)(C)C ZINC000816594647 1136739447 /nfs/dbraw/zinc/73/94/47/1136739447.db2.gz KVJXXLHDJFQYRT-ZDUSSCGKSA-N 0 1 330.428 3.548 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000817587789 1136826787 /nfs/dbraw/zinc/82/67/87/1136826787.db2.gz HTMIEDCFNWEPPG-SWLSCSKDSA-N 0 1 327.852 3.670 20 10 EHCDMN CCCc1[nH]ccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000817604714 1136829678 /nfs/dbraw/zinc/82/96/78/1136829678.db2.gz ZSQCRZJTPFZDRZ-UHFFFAOYSA-N 0 1 327.211 3.910 20 10 EHCDMN COc1cc(C[NH2+]Cc2c([O-])cccc2Br)ccc1C ZINC000858112399 1136941243 /nfs/dbraw/zinc/94/12/43/1136941243.db2.gz DITFVKISYDWEAF-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN Cc1cnc([C@@H](C)C[NH2+]Cc2c([O-])cccc2Br)s1 ZINC000858157237 1136944764 /nfs/dbraw/zinc/94/47/64/1136944764.db2.gz WEOMAEOREHIHNN-VIFPVBQESA-N 0 1 341.274 3.813 20 10 EHCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)C1(O)CCCC1 ZINC000858173797 1136946520 /nfs/dbraw/zinc/94/65/20/1136946520.db2.gz JKRKDUMAZWOGEB-UHFFFAOYSA-N 0 1 342.277 3.576 20 10 EHCDMN CC(C)[C@H](O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858193164 1136948287 /nfs/dbraw/zinc/94/82/87/1136948287.db2.gz VOSCOKUWDNJMHH-PMACEKPBSA-N 0 1 348.437 3.879 20 10 EHCDMN CCOC(=O)CN(Cc1ccccc1O)CC1CCC(F)(F)CC1 ZINC000823576470 1137104709 /nfs/dbraw/zinc/10/47/09/1137104709.db2.gz PCQDCFCURIHDEH-UHFFFAOYSA-N 0 1 341.398 3.583 20 10 EHCDMN Cc1cc(CNCc2ccc(N(C)Cc3cccs3)cc2)[nH]n1 ZINC000823923270 1137119893 /nfs/dbraw/zinc/11/98/93/1137119893.db2.gz OGKFZTQXHUEGFU-UHFFFAOYSA-N 0 1 326.469 3.706 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824696831 1137147228 /nfs/dbraw/zinc/14/72/28/1137147228.db2.gz UULXIVHCPJGUPR-NILFDRSVSA-N 0 1 327.827 3.700 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000825561482 1137148469 /nfs/dbraw/zinc/14/84/69/1137148469.db2.gz CEWQBVIXOZDISB-HNNXBMFYSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000825561482 1137148470 /nfs/dbraw/zinc/14/84/70/1137148470.db2.gz CEWQBVIXOZDISB-HNNXBMFYSA-N 0 1 340.261 3.546 20 10 EHCDMN Oc1cc(Br)ccc1CN1CCC[C@H](OCC2CC2)C1 ZINC000825561482 1137148472 /nfs/dbraw/zinc/14/84/72/1137148472.db2.gz CEWQBVIXOZDISB-HNNXBMFYSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824695944 1137148883 /nfs/dbraw/zinc/14/88/83/1137148883.db2.gz FEOBNIAEQCAEFU-IMJJTQAJSA-N 0 1 327.827 3.700 20 10 EHCDMN [O-]c1c(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)ccc2ccccc21 ZINC000824955736 1137159327 /nfs/dbraw/zinc/15/93/27/1137159327.db2.gz YUZBQLGQFICJFQ-UYAOXDASSA-N 0 1 334.419 3.950 20 10 EHCDMN COCc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825077777 1137164612 /nfs/dbraw/zinc/16/46/12/1137164612.db2.gz ICTRPRONXDJZJC-UHFFFAOYSA-N 0 1 336.229 3.591 20 10 EHCDMN CN(Cc1csc(C(C)(C)O)n1)Cc1c(O)ccc(Cl)c1F ZINC000825152968 1137165429 /nfs/dbraw/zinc/16/54/29/1137165429.db2.gz GHWQICZKPULNLG-UHFFFAOYSA-N 0 1 344.839 3.501 20 10 EHCDMN CCc1cnc(CC[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000825320309 1137172865 /nfs/dbraw/zinc/17/28/65/1137172865.db2.gz IKXLNIXVRRTONT-UHFFFAOYSA-N 0 1 341.274 3.506 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000825412360 1137177066 /nfs/dbraw/zinc/17/70/66/1137177066.db2.gz HMAZOUVZRXYRLT-OAHLLOKOSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000825412360 1137177067 /nfs/dbraw/zinc/17/70/67/1137177067.db2.gz HMAZOUVZRXYRLT-OAHLLOKOSA-N 0 1 340.261 3.546 20 10 EHCDMN C[C@@]1(O)CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000794672331 1137222876 /nfs/dbraw/zinc/22/28/76/1137222876.db2.gz LPTDPWSFYDZFRB-HXUWFJFHSA-N 0 1 329.440 3.754 20 10 EHCDMN C[C@@]1(O)CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000794672331 1137222877 /nfs/dbraw/zinc/22/28/77/1137222877.db2.gz LPTDPWSFYDZFRB-HXUWFJFHSA-N 0 1 329.440 3.754 20 10 EHCDMN CC[C@H](NCc1nccn1CC(F)(F)F)c1ccc(C)cc1O ZINC000794805149 1137253725 /nfs/dbraw/zinc/25/37/25/1137253725.db2.gz FXKJFGRYGDXBGB-ZDUSSCGKSA-N 0 1 327.350 3.700 20 10 EHCDMN CC[N@@H+](Cc1cccnc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144300212 1137267720 /nfs/dbraw/zinc/26/77/20/1137267720.db2.gz XLQHKQSJLIJWPW-UHFFFAOYSA-N 0 1 339.208 3.711 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2conc2Cc2ccccc2)c1 ZINC000845971539 1137322301 /nfs/dbraw/zinc/32/23/01/1137322301.db2.gz LAMFIPQAHYWJBK-CQSZACIVSA-N 0 1 338.407 3.830 20 10 EHCDMN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000846056677 1137327165 /nfs/dbraw/zinc/32/71/65/1137327165.db2.gz WPJKGYSZCBWDOZ-TUKIKUTGSA-N 0 1 325.836 3.503 20 10 EHCDMN C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000846206400 1137339241 /nfs/dbraw/zinc/33/92/41/1137339241.db2.gz YJBALXRPBUCXQU-QWRGUYRKSA-N 0 1 328.250 3.620 20 10 EHCDMN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000846185060 1137340226 /nfs/dbraw/zinc/34/02/26/1137340226.db2.gz UPVQFIDMUIURFF-COPLHBTASA-N 0 1 330.266 3.602 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866533792 1137362299 /nfs/dbraw/zinc/36/22/99/1137362299.db2.gz VWMHTEOKKRFWMD-HOCLYGCPSA-N 0 1 339.863 3.672 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)c1[O-] ZINC000846981755 1137380312 /nfs/dbraw/zinc/38/03/12/1137380312.db2.gz WFNYAVSGQZJNDJ-CQSZACIVSA-N 0 1 344.842 3.941 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)c1[O-] ZINC000846981755 1137380314 /nfs/dbraw/zinc/38/03/14/1137380314.db2.gz WFNYAVSGQZJNDJ-CQSZACIVSA-N 0 1 344.842 3.941 20 10 EHCDMN Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000872133853 1137573453 /nfs/dbraw/zinc/57/34/53/1137573453.db2.gz PGRMVTMTJDRVFF-ONGXEEELSA-N 0 1 336.233 3.665 20 10 EHCDMN Oc1c(CNc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)ccc(F)c1F ZINC000876838955 1137663381 /nfs/dbraw/zinc/66/33/81/1137663381.db2.gz WWDFETZQIYRQIS-IRXDYDNUSA-N 0 1 349.377 3.965 20 10 EHCDMN Cc1cc(N(C)C)ccc1CNCc1nc(-c2ccncc2)cs1 ZINC000877807635 1137690577 /nfs/dbraw/zinc/69/05/77/1137690577.db2.gz DBOJAZPBZOTGAA-UHFFFAOYSA-N 0 1 338.480 3.869 20 10 EHCDMN CCCN(Cc1nnc(-c2ccccc2O)o1)Cc1ccccc1O ZINC000878151456 1137704479 /nfs/dbraw/zinc/70/44/79/1137704479.db2.gz QUSMJNAUHDYYLF-UHFFFAOYSA-N 0 1 339.395 3.560 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000826139781 1137763765 /nfs/dbraw/zinc/76/37/65/1137763765.db2.gz OAFGLPXOCNCSFW-UHFFFAOYSA-N 0 1 332.188 3.776 20 10 EHCDMN COc1cc(Br)cc(CN(C)[C@H](C)c2ccco2)c1O ZINC000131042100 1137845611 /nfs/dbraw/zinc/84/56/11/1137845611.db2.gz MCARTLVBPSOJOK-SNVBAGLBSA-N 0 1 340.217 3.949 20 10 EHCDMN C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000883360977 1137857466 /nfs/dbraw/zinc/85/74/66/1137857466.db2.gz QCQJKUKHQSONKP-ZANVPECISA-N 0 1 349.299 3.755 20 10 EHCDMN CCN(CC)C(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113318923 1137912536 /nfs/dbraw/zinc/91/25/36/1137912536.db2.gz FAOVCHQWYBOFGP-UHFFFAOYSA-N 0 1 346.858 3.817 20 10 EHCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1nc2ccccc2n1C ZINC000091313324 1138218433 /nfs/dbraw/zinc/21/84/33/1138218433.db2.gz YADUNSHBIPGZSJ-HNNXBMFYSA-N 0 1 334.467 3.807 20 10 EHCDMN Cc1ncc(CN(C)Cc2cc(Br)ccc2O)s1 ZINC000179380544 1139754224 /nfs/dbraw/zinc/75/42/24/1139754224.db2.gz XBQLGPXJQYYZIF-UHFFFAOYSA-N 0 1 327.247 3.552 20 10 EHCDMN CCN(CC(=O)Nc1c(C)cccc1C)Cc1cccc(C)c1O ZINC000180441933 1139836161 /nfs/dbraw/zinc/83/61/61/1139836161.db2.gz NUVVADGUHRUBIT-UHFFFAOYSA-N 0 1 326.440 3.778 20 10 EHCDMN Cc1cc(Br)cc(C[N@@H+](C)CCc2ccncc2)c1O ZINC000183753554 1140056096 /nfs/dbraw/zinc/05/60/96/1140056096.db2.gz KFYOANFQYKQYNV-UHFFFAOYSA-N 0 1 335.245 3.533 20 10 EHCDMN C[C@H]([NH2+]CCc1nccs1)c1cc(Br)ccc1[O-] ZINC000185247801 1140141138 /nfs/dbraw/zinc/14/11/38/1140141138.db2.gz XIJNXHQOCTYTEE-VIFPVBQESA-N 0 1 327.247 3.505 20 10 EHCDMN COCCC1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000186133738 1140188052 /nfs/dbraw/zinc/18/80/52/1140188052.db2.gz YVZMNIIFJCEHPR-NSHDSACASA-N 0 1 328.250 3.622 20 10 EHCDMN CCc1ccc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000268832863 1141003340 /nfs/dbraw/zinc/00/33/40/1141003340.db2.gz LCLVWUURPZMTKJ-INIZCTEOSA-N 0 1 342.483 3.902 20 10 EHCDMN CCc1ncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000271033313 1141297428 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EHCDMN [O-]c1c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)ccc2ccccc21 ZINC000816566865 1136738268 /nfs/dbraw/zinc/73/82/68/1136738268.db2.gz JNNCAKGDBNKAKK-INIZCTEOSA-N 0 1 341.451 3.563 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN1CCSC[C@@H]1c1nccs1 ZINC000816571967 1136738732 /nfs/dbraw/zinc/73/87/32/1136738732.db2.gz WZTBJQOWOGNPJB-GFCCVEGCSA-N 0 1 344.864 3.931 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000816571141 1136738776 /nfs/dbraw/zinc/73/87/76/1136738776.db2.gz SXYJAQBSZDTGCO-GOSISDBHSA-N 0 1 333.790 3.816 20 10 EHCDMN C[N@H+]1CCC[C@]2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000816643259 1136743856 /nfs/dbraw/zinc/74/38/56/1136743856.db2.gz ZJVQPIVQTYWILA-INIZCTEOSA-N 0 1 329.271 3.617 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816656401 1136745366 /nfs/dbraw/zinc/74/53/66/1136745366.db2.gz QMMYXHUUUSRYFD-INIZCTEOSA-N 0 1 325.811 3.576 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816656086 1136745528 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CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000858506200 1136974604 /nfs/dbraw/zinc/97/46/04/1136974604.db2.gz SHVHXZFKNWZWCH-BBRMVZONSA-N 0 1 325.408 3.848 20 10 EHCDMN c1csc(C2(NCc3ccc(N4CCOCC4)cc3)CCCC2)n1 ZINC000116374592 1136994535 /nfs/dbraw/zinc/99/45/35/1136994535.db2.gz WHOSJIWRBYUHRF-UHFFFAOYSA-N 0 1 343.496 3.539 20 10 EHCDMN O=C(NCc1cc(Cl)ccc1O)c1ccc(CN2CCCCC2)o1 ZINC000823986103 1137121537 /nfs/dbraw/zinc/12/15/37/1137121537.db2.gz GTSVMHXPBZKXDM-UHFFFAOYSA-N 0 1 348.830 3.555 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cnc3ccccc3n2)cc1F ZINC000862278155 1137136798 /nfs/dbraw/zinc/13/67/98/1137136798.db2.gz AMNXYYGAXOKASB-UHFFFAOYSA-N 0 1 338.430 3.905 20 10 EHCDMN Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c(C)n1-c1cccc(C)c1 ZINC000825010151 1137159931 /nfs/dbraw/zinc/15/99/31/1137159931.db2.gz SRRDWSPCFXVBTF-RTBURBONSA-N 0 1 348.450 3.546 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030541 1137162580 /nfs/dbraw/zinc/16/25/80/1137162580.db2.gz NLFJITQNULYOJW-CJNGLKHVSA-N 0 1 337.847 3.553 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030541 1137162581 /nfs/dbraw/zinc/16/25/81/1137162581.db2.gz NLFJITQNULYOJW-CJNGLKHVSA-N 0 1 337.847 3.553 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1Cl ZINC000825127727 1137166789 /nfs/dbraw/zinc/16/67/89/1137166789.db2.gz ZTDOIBIEGCITSG-UHFFFAOYSA-N 0 1 345.874 3.503 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(C3OCCO3)cc2)cc1Cl ZINC000825273314 1137172311 /nfs/dbraw/zinc/17/23/11/1137172311.db2.gz GSNAEEPCAWUFOF-UHFFFAOYSA-N 0 1 333.815 3.689 20 10 EHCDMN Cc1noc(C2CCC([NH2+]Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC000825327059 1137172966 /nfs/dbraw/zinc/17/29/66/1137172966.db2.gz UZHFJEDOOIMRPJ-UHFFFAOYSA-N 0 1 335.835 3.861 20 10 EHCDMN CCc1noc(CC)c1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825365371 1137174951 /nfs/dbraw/zinc/17/49/51/1137174951.db2.gz HTLQAIYERQLDQL-UHFFFAOYSA-N 0 1 339.233 3.557 20 10 EHCDMN CC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])c2ccccc21 ZINC000825385112 1137176034 /nfs/dbraw/zinc/17/60/34/1137176034.db2.gz RBJUOSVZUHOGDT-KRWDZBQOSA-N 0 1 344.842 3.942 20 10 EHCDMN CC[N@@H+](Cc1cccs1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000119996117 1137222313 /nfs/dbraw/zinc/22/23/13/1137222313.db2.gz HAWODSLDCPMPDT-UHFFFAOYSA-N 0 1 334.460 3.746 20 10 EHCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000844934944 1137263783 /nfs/dbraw/zinc/26/37/83/1137263783.db2.gz GTAPHUKAVUTFKB-RDTXWAMCSA-N 0 1 344.480 3.822 20 10 EHCDMN CCN(CC)c1ccc(CN[C@H](c2ccccc2F)[C@@H](C)O)cc1 ZINC000846019600 1137326389 /nfs/dbraw/zinc/32/63/89/1137326389.db2.gz ZZUGDIZJZVITJS-QRWLVFNGSA-N 0 1 330.447 3.884 20 10 EHCDMN CC[C@@H](NCc1ncc(Br)s1)c1ccccc1O ZINC000714931703 1137474363 /nfs/dbraw/zinc/47/43/63/1137474363.db2.gz RXBRBGKPFXRHMO-SNVBAGLBSA-N 0 1 327.247 3.852 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1[O-] ZINC000872280055 1137577536 /nfs/dbraw/zinc/57/75/36/1137577536.db2.gz IUUMIAPRSSDTDD-QGZVFWFLSA-N 0 1 335.419 3.658 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1[O-] ZINC000872280055 1137577537 /nfs/dbraw/zinc/57/75/37/1137577537.db2.gz IUUMIAPRSSDTDD-QGZVFWFLSA-N 0 1 335.419 3.658 20 10 EHCDMN CCCOc1ccc(CN[C@H](CC(=O)NC)c2ccccc2)cc1C ZINC000873119251 1137590662 /nfs/dbraw/zinc/59/06/62/1137590662.db2.gz DTLIREXMAOHYFW-LJQANCHMSA-N 0 1 340.467 3.751 20 10 EHCDMN COc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)cc1Cn1cccn1 ZINC000873126976 1137590772 /nfs/dbraw/zinc/59/07/72/1137590772.db2.gz FVEIVSIICPNHHV-YCRPNKLZSA-N 0 1 349.434 3.552 20 10 EHCDMN CCCOc1ccc(CNCc2cnc(C(F)(F)F)nc2)cc1C ZINC000873134203 1137591053 /nfs/dbraw/zinc/59/10/53/1137591053.db2.gz LLIARPHTDJDDBJ-UHFFFAOYSA-N 0 1 339.361 3.882 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000825710729 1137609779 /nfs/dbraw/zinc/60/97/79/1137609779.db2.gz ZGENHFPKJVBWTO-OAHLLOKOSA-N 0 1 348.240 3.507 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000825773713 1137630753 /nfs/dbraw/zinc/63/07/53/1137630753.db2.gz NUPMZVIJXOEVKG-OAHLLOKOSA-N 0 1 340.261 3.594 20 10 EHCDMN COc1ccc(N2CCCN(Cc3ccc(C(F)F)nc3)CC2)cc1 ZINC000876631488 1137657740 /nfs/dbraw/zinc/65/77/40/1137657740.db2.gz SDTXVYZPIVPLIP-UHFFFAOYSA-N 0 1 347.409 3.740 20 10 EHCDMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876795607 1137661513 /nfs/dbraw/zinc/66/15/13/1137661513.db2.gz RYJASQQTMVSNEU-BSNNYGBQSA-N 0 1 339.407 3.601 20 10 EHCDMN CC(=O)Nc1cccc2c1CN(Cc1cc(Cl)cc(F)c1O)CC2 ZINC000877681499 1137685523 /nfs/dbraw/zinc/68/55/23/1137685523.db2.gz NTFPCUOZWGNITI-UHFFFAOYSA-N 0 1 348.805 3.701 20 10 EHCDMN CC(=O)Nc1cccc2c1C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC000877681499 1137685524 /nfs/dbraw/zinc/68/55/24/1137685524.db2.gz NTFPCUOZWGNITI-UHFFFAOYSA-N 0 1 348.805 3.701 20 10 EHCDMN CC(=O)Nc1cccc2c1C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC000877681499 1137685525 /nfs/dbraw/zinc/68/55/25/1137685525.db2.gz NTFPCUOZWGNITI-UHFFFAOYSA-N 0 1 348.805 3.701 20 10 EHCDMN FC(F)(F)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000877822048 1137691610 /nfs/dbraw/zinc/69/16/10/1137691610.db2.gz PVXAYJASKPHEOT-KRWDZBQOSA-N 0 1 342.405 3.830 20 10 EHCDMN COc1cc2c(cc1CN[C@H](C)c1ccc(N(C)C)cc1)O[C@@H](C)C2 ZINC000132059712 1137862516 /nfs/dbraw/zinc/86/25/16/1137862516.db2.gz ZJAOBBTZKYUXHV-LSDHHAIUSA-N 0 1 340.467 3.935 20 10 EHCDMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109769905 1137897288 /nfs/dbraw/zinc/89/72/88/1137897288.db2.gz YGLMOJAFVKFCED-ZDUSSCGKSA-N 0 1 332.831 3.813 20 10 EHCDMN CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)cc1 ZINC000111235450 1137903947 /nfs/dbraw/zinc/90/39/47/1137903947.db2.gz YAQFHRHNBZMNAE-ZDUSSCGKSA-N 0 1 330.453 3.573 20 10 EHCDMN CSc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1 ZINC000111235450 1137903948 /nfs/dbraw/zinc/90/39/48/1137903948.db2.gz YAQFHRHNBZMNAE-ZDUSSCGKSA-N 0 1 330.453 3.573 20 10 EHCDMN CCN(Cc1ccccc1)c1ccc(CNCc2ccnn2C)cc1 ZINC000075779943 1138128613 /nfs/dbraw/zinc/12/86/13/1138128613.db2.gz NATFKKRMTXUILD-UHFFFAOYSA-N 0 1 334.467 3.736 20 10 EHCDMN COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000175564555 1139500271 /nfs/dbraw/zinc/50/02/71/1139500271.db2.gz ATDQVJQFKDIHEI-LLVKDONJSA-N 0 1 347.386 3.602 20 10 EHCDMN Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cnn1C ZINC000185002166 1140130668 /nfs/dbraw/zinc/13/06/68/1140130668.db2.gz FUKJFQIUKKVKQJ-VHSXEESVSA-N 0 1 338.249 3.608 20 10 EHCDMN CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185030282 1140132699 /nfs/dbraw/zinc/13/26/99/1140132699.db2.gz DZWYQDWFRAKXEC-OAHLLOKOSA-N 0 1 328.456 3.845 20 10 EHCDMN COc1cc(OC)c(CN[C@H](C)c2cc(C)ccc2O)c(OC)c1 ZINC000185065960 1140134580 /nfs/dbraw/zinc/13/45/80/1140134580.db2.gz IJLYJCCVRVWNIB-CYBMUJFWSA-N 0 1 331.412 3.577 20 10 EHCDMN C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000185547033 1140154822 /nfs/dbraw/zinc/15/48/22/1140154822.db2.gz ZXRYMKRZBKGYJL-CYBMUJFWSA-N 0 1 346.858 3.641 20 10 EHCDMN C[C@H]1SCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)[C@H]1C ZINC000736838868 600488793 /nfs/dbraw/zinc/48/87/93/600488793.db2.gz VNIBQXXBUCITGF-NWDGAFQWSA-N 0 1 331.437 3.569 20 10 EHCDMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccc(N(C)C)cc1 ZINC000826951937 602016585 /nfs/dbraw/zinc/01/65/85/602016585.db2.gz VWAFVMFBHUIDDQ-UHFFFAOYSA-N 0 1 332.469 3.923 20 10 EHCDMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001593731201 996300892 /nfs/dbraw/zinc/30/08/92/996300892.db2.gz DCXLUUORZYPOOS-ZDUSSCGKSA-N 0 1 345.468 3.635 20 10 EHCDMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001593731201 996300898 /nfs/dbraw/zinc/30/08/98/996300898.db2.gz DCXLUUORZYPOOS-ZDUSSCGKSA-N 0 1 345.468 3.635 20 10 EHCDMN Cn1c(CN(Cc2ccccc2O)C2CCCC2)nnc1C1CCC1 ZINC000782930479 1016746362 /nfs/dbraw/zinc/74/63/62/1016746362.db2.gz VYXOXMGJROHLEC-UHFFFAOYSA-N 0 1 340.471 3.733 20 10 EHCDMN COc1ccc(CN2CCc3cccc(O)c3C2)c(C(F)(F)F)c1 ZINC001143482961 1017027663 /nfs/dbraw/zinc/02/76/63/1017027663.db2.gz BYEQHLMQRZCRCZ-UHFFFAOYSA-N 0 1 337.341 3.978 20 10 EHCDMN Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000728697201 1017691181 /nfs/dbraw/zinc/69/11/81/1017691181.db2.gz KFXVPDNMDARCCX-AQTBWJFISA-N 0 1 344.370 3.716 20 10 EHCDMN CSC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000314503924 1018509785 /nfs/dbraw/zinc/50/97/85/1018509785.db2.gz FSJOJVLYROZMSR-GFCCVEGCSA-N 0 1 327.877 3.823 20 10 EHCDMN CSC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000314503924 1018509799 /nfs/dbraw/zinc/50/97/99/1018509799.db2.gz FSJOJVLYROZMSR-GFCCVEGCSA-N 0 1 327.877 3.823 20 10 EHCDMN CSC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000314503924 1018509810 /nfs/dbraw/zinc/50/98/10/1018509810.db2.gz FSJOJVLYROZMSR-GFCCVEGCSA-N 0 1 327.877 3.823 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)CCCCO)c1cc(Br)ccc1[O-] ZINC000295861502 1020554203 /nfs/dbraw/zinc/55/42/03/1020554203.db2.gz BNQYCNHYNHIQFK-FZMZJTMJSA-N 0 1 330.266 3.747 20 10 EHCDMN c1nc2c([nH]1)C1(CCC1)N(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000895068243 1023135330 /nfs/dbraw/zinc/13/53/30/1023135330.db2.gz PCMKLDUHUDXUPM-UHFFFAOYSA-N 0 1 336.483 3.838 20 10 EHCDMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(Cl)cc(OC)c2O)n[nH]1 ZINC000277069142 1023735450 /nfs/dbraw/zinc/73/54/50/1023735450.db2.gz DUUAJJYNPQVQJA-ZJUUUORDSA-N 0 1 338.839 3.537 20 10 EHCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896225187 1025256780 /nfs/dbraw/zinc/25/67/80/1025256780.db2.gz UIMPIBCUMCEYME-GFCCVEGCSA-N 0 1 325.252 3.537 20 10 EHCDMN CCN1CCN(c2ccc(CNc3ccnc(Cl)c3)cc2F)CC1 ZINC000301641988 1026884919 /nfs/dbraw/zinc/88/49/19/1026884919.db2.gz ZCDOOPQPCXAHFE-UHFFFAOYSA-N 0 1 348.853 3.628 20 10 EHCDMN C[C@@H]([NH2+]CCCc1nccs1)c1ccc(Br)cc1[O-] ZINC000273467769 1027442734 /nfs/dbraw/zinc/44/27/34/1027442734.db2.gz JDMUEZMLNRQBIL-SNVBAGLBSA-N 0 1 341.274 3.895 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc2ccccc2c1[O-] ZINC000273539506 1027483530 /nfs/dbraw/zinc/48/35/30/1027483530.db2.gz XZUBCVBYNYWTJU-ZBFHGGJFSA-N 0 1 327.424 3.882 20 10 EHCDMN C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000273583382 1027505101 /nfs/dbraw/zinc/50/51/01/1027505101.db2.gz NCUWCZIALZNULN-ABAIWWIYSA-N 0 1 336.229 3.539 20 10 EHCDMN C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000327152314 1027721282 /nfs/dbraw/zinc/72/12/82/1027721282.db2.gz VFCQDFLRDXDQFA-HNNXBMFYSA-N 0 1 334.419 3.512 20 10 EHCDMN CNC(=O)Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000121973992 1028087036 /nfs/dbraw/zinc/08/70/36/1028087036.db2.gz NDGTYCKERCUNIO-UHFFFAOYSA-N 0 1 339.222 3.600 20 10 EHCDMN CCOCc1cc(CN[C@H](CCOC)c2ccco2)ccc1OC ZINC000272635561 1029542439 /nfs/dbraw/zinc/54/24/39/1029542439.db2.gz YLIGGLPRTHJBCR-QGZVFWFLSA-N 0 1 333.428 3.692 20 10 EHCDMN C[C@H]1[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000309839883 1033878485 /nfs/dbraw/zinc/87/84/85/1033878485.db2.gz 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EHCDMN [O-]c1ccc(Cl)cc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000770305347 1133409420 /nfs/dbraw/zinc/40/94/20/1133409420.db2.gz SKGMOAKDMJPHAY-SFHVURJKSA-N 0 1 331.843 3.879 20 10 EHCDMN CCN1CCCC[C@H]1C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001182002470 1133559931 /nfs/dbraw/zinc/55/99/31/1133559931.db2.gz RSHCJVBLBFBARK-QFBILLFUSA-N 0 1 344.499 3.623 20 10 EHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001183510393 1133821123 /nfs/dbraw/zinc/82/11/23/1133821123.db2.gz DBSOYYYPYGZOAR-CQSZACIVSA-N 0 1 325.399 3.699 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774831944 1134039007 /nfs/dbraw/zinc/03/90/07/1134039007.db2.gz GALWTWCJPWDOGM-OAHLLOKOSA-N 0 1 334.416 3.854 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC000775061094 1134274604 /nfs/dbraw/zinc/27/46/04/1134274604.db2.gz RUCWWWGGUVAFAQ-HNNXBMFYSA-N 0 1 342.395 3.607 20 10 EHCDMN COc1c([O-])c(C[N@H+](C)Cc2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000775117194 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339.361 3.959 20 10 EHCDMN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236958 1135946452 /nfs/dbraw/zinc/94/64/52/1135946452.db2.gz ORGYGWFPPIFZQZ-IIAWOOMASA-N 0 1 347.377 3.646 20 10 EHCDMN CN(C)c1cc(C[NH2+]Cc2c([O-])cccc2Cl)c2ccccc2n1 ZINC000776220237 1136071076 /nfs/dbraw/zinc/07/10/76/1136071076.db2.gz MAFYJUPTUJPYJT-UHFFFAOYSA-N 0 1 341.842 3.950 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811513457 1136103296 /nfs/dbraw/zinc/10/32/96/1136103296.db2.gz VXYISEVLJHBWTQ-AWEZNQCLSA-N 0 1 346.833 3.822 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811782322 1136135034 /nfs/dbraw/zinc/13/50/34/1136135034.db2.gz DCOSQTFWPFOFCK-JOCHJYFZSA-N 0 1 346.430 3.910 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811782322 1136135039 /nfs/dbraw/zinc/13/50/39/1136135039.db2.gz DCOSQTFWPFOFCK-JOCHJYFZSA-N 0 1 346.430 3.910 20 10 EHCDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000850430272 1136257485 /nfs/dbraw/zinc/25/74/85/1136257485.db2.gz KMNBNUQXTXUMPB-LBPRGKRZSA-N 0 1 347.390 3.659 20 10 EHCDMN C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000850495877 1136271497 /nfs/dbraw/zinc/27/14/97/1136271497.db2.gz KIMYIPGLJKPMFK-BSNNYGBQSA-N 0 1 345.386 3.507 20 10 EHCDMN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000850501195 1136272692 /nfs/dbraw/zinc/27/26/92/1136272692.db2.gz KNGRXYUJAPFYHK-XNWPKKHHSA-N 0 1 343.467 3.762 20 10 EHCDMN COc1cccc(OC)c1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850505587 1136273301 /nfs/dbraw/zinc/27/33/01/1136273301.db2.gz SXJXJUFQBZNYJN-BXUZGUMPSA-N 0 1 331.387 3.887 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000850558717 1136285503 /nfs/dbraw/zinc/28/55/03/1136285503.db2.gz TYTXELPCYNWSCJ-GJZGRUSLSA-N 0 1 340.467 3.843 20 10 EHCDMN CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Cl)ccc1[O-] ZINC000850561874 1136286428 /nfs/dbraw/zinc/28/64/28/1136286428.db2.gz LFNUJQFMGNGEMT-MAUKXSAKSA-N 0 1 341.879 3.654 20 10 EHCDMN CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Cl)ccc1[O-] ZINC000850561876 1136286504 /nfs/dbraw/zinc/28/65/04/1136286504.db2.gz LFNUJQFMGNGEMT-QAPCUYQASA-N 0 1 341.879 3.654 20 10 EHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccnc1Cl ZINC000850566597 1136287403 /nfs/dbraw/zinc/28/74/03/1136287403.db2.gz PYWNKRIKBUNBRG-AWEZNQCLSA-N 0 1 345.874 3.547 20 10 EHCDMN O=C(/C=C/c1cccc(O)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000813682970 1136356460 /nfs/dbraw/zinc/35/64/60/1136356460.db2.gz OLWUGFBZARKFKB-SNAWJCMRSA-N 0 1 338.190 3.734 20 10 EHCDMN Cc1ccoc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813843686 1136369654 /nfs/dbraw/zinc/36/96/54/1136369654.db2.gz CLLNWRBBSVSQPP-UHFFFAOYSA-N 0 1 329.183 3.600 20 10 EHCDMN C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cc(Cl)ccc1[O-] ZINC000813881900 1136372950 /nfs/dbraw/zinc/37/29/50/1136372950.db2.gz XMJIZNMHIIYVKA-LBPRGKRZSA-N 0 1 342.826 3.748 20 10 EHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851793072 1136407562 /nfs/dbraw/zinc/40/75/62/1136407562.db2.gz WCBNENKCEATWTB-QGZVFWFLSA-N 0 1 346.515 3.889 20 10 EHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851793072 1136407563 /nfs/dbraw/zinc/40/75/63/1136407563.db2.gz WCBNENKCEATWTB-QGZVFWFLSA-N 0 1 346.515 3.889 20 10 EHCDMN COc1c([O-])c(C[N@H+](C)Cc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000814170092 1136414834 /nfs/dbraw/zinc/41/48/34/1136414834.db2.gz RNBIAJBIGMSNPD-UHFFFAOYSA-N 0 1 330.384 3.558 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)Cc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000814170092 1136414836 /nfs/dbraw/zinc/41/48/36/1136414836.db2.gz RNBIAJBIGMSNPD-UHFFFAOYSA-N 0 1 330.384 3.558 20 10 EHCDMN COc1cc(C)cc(CN2CC3(CCOCC3)[C@H]2c2ccco2)c1O ZINC000853552219 1136543892 /nfs/dbraw/zinc/54/38/92/1136543892.db2.gz YZDAYPLBBJXGQC-LJQANCHMSA-N 0 1 343.423 3.656 20 10 EHCDMN COc1ccc(F)c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000815119453 1136552856 /nfs/dbraw/zinc/55/28/56/1136552856.db2.gz YFKRIKUJVFKPIV-OAHLLOKOSA-N 0 1 344.430 3.522 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000815141978 1136561768 /nfs/dbraw/zinc/56/17/68/1136561768.db2.gz LLQYKHONDIKRAT-UHFFFAOYSA-N 0 1 330.737 3.792 20 10 EHCDMN COc1ccc(F)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000816481367 1136722651 /nfs/dbraw/zinc/72/26/51/1136722651.db2.gz SEBZOHVRPJHIEJ-SFHVURJKSA-N 0 1 345.414 3.721 20 10 EHCDMN Oc1c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521254 1136727099 /nfs/dbraw/zinc/72/70/99/1136727099.db2.gz KRMPHLQOUIKEAU-LAUBAEHRSA-N 0 1 336.479 3.994 20 10 EHCDMN Oc1c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521254 1136727100 /nfs/dbraw/zinc/72/71/00/1136727100.db2.gz KRMPHLQOUIKEAU-LAUBAEHRSA-N 0 1 336.479 3.994 20 10 EHCDMN C[C@@H]1CN(C(C)(C)C[NH2+]Cc2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000816530993 1136730749 /nfs/dbraw/zinc/73/07/49/1136730749.db2.gz CNDJUVXYUXOBBO-IYBDPMFKSA-N 0 1 342.483 3.523 20 10 EHCDMN CCOC(=O)N[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])CC(C)C ZINC000816561971 1136737489 /nfs/dbraw/zinc/73/74/89/1136737489.db2.gz SUUSPXNJPPYVEE-KRWDZBQOSA-N 0 1 344.455 3.796 20 10 EHCDMN Cc1noc(C2(C)CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC000816566578 1136738167 /nfs/dbraw/zinc/73/81/67/1136738167.db2.gz ZJZJUORCVNYZCJ-UHFFFAOYSA-N 0 1 337.423 3.791 20 10 EHCDMN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc2c(c1)OCCO2 ZINC000858088298 1136938327 /nfs/dbraw/zinc/93/83/27/1136938327.db2.gz YKHNRDCBCXXWFU-GFCCVEGCSA-N 0 1 348.393 3.653 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]CCCOC1CCCC1 ZINC000858116878 1136941338 /nfs/dbraw/zinc/94/13/38/1136941338.db2.gz RPZLZOGUTORPKR-UHFFFAOYSA-N 0 1 328.250 3.594 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000858179376 1136946952 /nfs/dbraw/zinc/94/69/52/1136946952.db2.gz LZKVUOLDCYVZPL-LLVKDONJSA-N 0 1 342.302 3.778 20 10 EHCDMN CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000858495919 1136973509 /nfs/dbraw/zinc/97/35/09/1136973509.db2.gz KUJGWIJWGFUWIW-LBPRGKRZSA-N 0 1 332.831 3.879 20 10 EHCDMN CCC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000862024664 1137127223 /nfs/dbraw/zinc/12/72/23/1137127223.db2.gz BGYUFWUKXQJJPM-ZWKOTPCHSA-N 0 1 345.531 3.802 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000862353972 1137139807 /nfs/dbraw/zinc/13/98/07/1137139807.db2.gz HFSOWAXTOXHUQW-LBPRGKRZSA-N 0 1 333.229 3.539 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000862353972 1137139809 /nfs/dbraw/zinc/13/98/09/1137139809.db2.gz HFSOWAXTOXHUQW-LBPRGKRZSA-N 0 1 333.229 3.539 20 10 EHCDMN C[C@@]12CC[N@H+](Cc3c([O-])cccc3Br)C[C@@H]1C2(F)F ZINC000862376412 1137141299 /nfs/dbraw/zinc/14/12/99/1137141299.db2.gz YLDIKBQDQDFYBP-QWHCGFSZSA-N 0 1 332.188 3.632 20 10 EHCDMN C[C@@]12CC[N@@H+](Cc3c([O-])cccc3Br)C[C@@H]1C2(F)F ZINC000862376412 1137141300 /nfs/dbraw/zinc/14/13/00/1137141300.db2.gz YLDIKBQDQDFYBP-QWHCGFSZSA-N 0 1 332.188 3.632 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(OC2CCC2)CC1 ZINC000862396738 1137142437 /nfs/dbraw/zinc/14/24/37/1137142437.db2.gz XSIFLGZSXQKKQT-UHFFFAOYSA-N 0 1 340.261 3.688 20 10 EHCDMN Cc1cc([O-])c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1Cl ZINC000824645243 1137146118 /nfs/dbraw/zinc/14/61/18/1137146118.db2.gz BFMCYQJLJIENLS-INIZCTEOSA-N 0 1 339.863 3.514 20 10 EHCDMN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824696984 1137147102 /nfs/dbraw/zinc/14/71/02/1137147102.db2.gz WXJVMCKVEGRIOB-XHSDSOJGSA-N 0 1 339.863 3.570 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824696984 1137147103 /nfs/dbraw/zinc/14/71/03/1137147103.db2.gz WXJVMCKVEGRIOB-XHSDSOJGSA-N 0 1 339.863 3.570 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000825561483 1137148589 /nfs/dbraw/zinc/14/85/89/1137148589.db2.gz CEWQBVIXOZDISB-OAHLLOKOSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000825561483 1137148591 /nfs/dbraw/zinc/14/85/91/1137148591.db2.gz CEWQBVIXOZDISB-OAHLLOKOSA-N 0 1 340.261 3.546 20 10 EHCDMN Oc1cc(Br)ccc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000825561483 1137148592 /nfs/dbraw/zinc/14/85/92/1137148592.db2.gz CEWQBVIXOZDISB-OAHLLOKOSA-N 0 1 340.261 3.546 20 10 EHCDMN CCCO[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824777226 1137151600 /nfs/dbraw/zinc/15/16/00/1137151600.db2.gz MCBYJJLAEJOORS-HNNXBMFYSA-N 0 1 342.277 3.936 20 10 EHCDMN CCCO[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824777226 1137151602 /nfs/dbraw/zinc/15/16/02/1137151602.db2.gz MCBYJJLAEJOORS-HNNXBMFYSA-N 0 1 342.277 3.936 20 10 EHCDMN C[C@H]1C[C@H](NCc2ccc(OCc3ccccc3)cc2O)c2nccn21 ZINC000825016910 1137161892 /nfs/dbraw/zinc/16/18/92/1137161892.db2.gz IWYCDXXFSSWIGZ-KXBFYZLASA-N 0 1 349.434 3.963 20 10 EHCDMN C[C@@H](NCc1cccc(Br)n1)c1ccc(N(C)C)cc1 ZINC000794500132 1137175518 /nfs/dbraw/zinc/17/55/18/1137175518.db2.gz SFWABZDYUYPJCB-GFCCVEGCSA-N 0 1 334.261 3.761 20 10 EHCDMN COc1ccc([C@H](CCO)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825396281 1137176496 /nfs/dbraw/zinc/17/64/96/1137176496.db2.gz QYBVZKWLIKQYMF-KRWDZBQOSA-N 0 1 335.831 3.576 20 10 EHCDMN COc1cc(NCc2ccc(F)c(F)c2O)cc(OC)c1Cl ZINC000864039203 1137212565 /nfs/dbraw/zinc/21/25/65/1137212565.db2.gz QHAJSLQVFOFEGD-UHFFFAOYSA-N 0 1 329.730 3.953 20 10 EHCDMN Cc1cc(N(C)C)ccc1CNCc1ccncc1Br ZINC000865466629 1137286428 /nfs/dbraw/zinc/28/64/28/1137286428.db2.gz YTHGFKKBXRXZBN-UHFFFAOYSA-N 0 1 334.261 3.508 20 10 EHCDMN COc1cccc(O)c1CN[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000846051137 1137330717 /nfs/dbraw/zinc/33/07/17/1137330717.db2.gz BKUZKBWHYOUQRD-HNNXBMFYSA-N 0 1 331.387 3.932 20 10 EHCDMN CC1(C)OCc2cc(C[NH2+]Cc3cc(Cl)ccc3[O-])ccc2O1 ZINC000846055192 1137330886 /nfs/dbraw/zinc/33/08/86/1137330886.db2.gz JSULZMKOWSQZPI-UHFFFAOYSA-N 0 1 333.815 3.981 20 10 EHCDMN CCc1noc(C2CCC([NH2+]Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000846055471 1137331097 /nfs/dbraw/zinc/33/10/97/1137331097.db2.gz MKVBTBZVGZSEGU-UHFFFAOYSA-N 0 1 335.835 3.807 20 10 EHCDMN COc1cccc([C@H](C)N[C@@H](C)c2nccn2-c2ccccc2)c1O ZINC000846173217 1137338182 /nfs/dbraw/zinc/33/81/82/1137338182.db2.gz PRVREMJPQKCEAK-GJZGRUSLSA-N 0 1 337.423 3.998 20 10 EHCDMN C[C@@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1cc(F)ccc1O ZINC000846208200 1137339701 /nfs/dbraw/zinc/33/97/01/1137339701.db2.gz WVUJATXTCDXMAH-KDOFPFPSSA-N 0 1 339.414 3.899 20 10 EHCDMN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc[nH]1 ZINC000773120530 1137466912 /nfs/dbraw/zinc/46/69/12/1137466912.db2.gz PKVKPOGSWVZZGZ-KBPBESRZSA-N 0 1 333.863 3.917 20 10 EHCDMN COCC(C)(C)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000872104360 1137571180 /nfs/dbraw/zinc/57/11/80/1137571180.db2.gz BQPXOWKZFDRALS-NSHDSACASA-N 0 1 330.266 3.868 20 10 EHCDMN CC1CC(n2nnc3c2CN(Cc2c(O)ccc4ccccc42)CC3)C1 ZINC000872686139 1137582816 /nfs/dbraw/zinc/58/28/16/1137582816.db2.gz YIMAKJKGPZVBCF-UHFFFAOYSA-N 0 1 348.450 3.666 20 10 EHCDMN Cc1ccc(CNCc2nn(-c3ccccc3)c3c2CCC3)c(O)c1 ZINC000876962743 1137666442 /nfs/dbraw/zinc/66/64/42/1137666442.db2.gz VQFLDTHYYGZRNW-UHFFFAOYSA-N 0 1 333.435 3.665 20 10 EHCDMN CC1CCN(c2cccc(NC(=O)c3c(F)ccc(O)c3O)c2)CC1 ZINC000825992599 1137684680 /nfs/dbraw/zinc/68/46/80/1137684680.db2.gz CWQLNSJPPZSARJ-UHFFFAOYSA-N 0 1 344.386 3.726 20 10 EHCDMN CN(C)c1ccc(CN2CC[C@H](O)C[C@H]2c2ccccc2)cc1F ZINC000877674934 1137685293 /nfs/dbraw/zinc/68/52/93/1137685293.db2.gz XMUMMNHGGVXCEF-PXNSSMCTSA-N 0 1 328.431 3.590 20 10 EHCDMN Cc1c(CN2Cc3cccc(O)c3C2)sc2nc(C)nc(C)c12 ZINC000877704044 1137686397 /nfs/dbraw/zinc/68/63/97/1137686397.db2.gz YAYAKCFJGVEYBL-UHFFFAOYSA-N 0 1 325.437 3.838 20 10 EHCDMN c1c[nH]c([C@H](NCCCSc2nccs2)c2ccccc2)n1 ZINC000127110325 1137715275 /nfs/dbraw/zinc/71/52/75/1137715275.db2.gz PVJBZFMXXDSXBQ-CQSZACIVSA-N 0 1 330.482 3.728 20 10 EHCDMN CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000826062613 1137723566 /nfs/dbraw/zinc/72/35/66/1137723566.db2.gz UWXSVYKZEGFQRV-BLLLJJGKSA-N 0 1 342.277 3.696 20 10 EHCDMN COc1cc(Br)cc(CN(C)[C@@H](C)c2ccco2)c1O ZINC000131041899 1137845657 /nfs/dbraw/zinc/84/56/57/1137845657.db2.gz MCARTLVBPSOJOK-JTQLQIEISA-N 0 1 340.217 3.949 20 10 EHCDMN O=C(Nc1ccccc1)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000120819958 1137952692 /nfs/dbraw/zinc/95/26/92/1137952692.db2.gz HPHMEBIPCRUNKF-UHFFFAOYSA-N 0 1 344.842 3.896 20 10 EHCDMN Cc1ccc2nc(CN3CCCc4cc(O)c(O)cc4C3)ccc2c1 ZINC001137218673 1138005866 /nfs/dbraw/zinc/00/58/66/1138005866.db2.gz HYZFXMKHKVXXHT-UHFFFAOYSA-N 0 1 334.419 3.903 20 10 EHCDMN Cc1coc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000885927711 1138025683 /nfs/dbraw/zinc/02/56/83/1138025683.db2.gz WDCOYYLGRNIXFV-GASCZTMLSA-N 0 1 332.419 3.631 20 10 EHCDMN CCCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c(O)c1 ZINC000123068775 1138265869 /nfs/dbraw/zinc/26/58/69/1138265869.db2.gz XZVOYQYMPBSJGR-KRWDZBQOSA-N 0 1 329.444 3.523 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1[O-] ZINC000185058940 1140134642 /nfs/dbraw/zinc/13/46/42/1140134642.db2.gz KJMMVEXVAJOPSB-MNOVXSKESA-N 0 1 336.785 3.580 20 10 EHCDMN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185605053 1140158099 /nfs/dbraw/zinc/15/80/99/1140158099.db2.gz OQKKULQIRYTOLK-RYUDHWBXSA-N 0 1 330.266 3.604 20 10 EHCDMN CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185657255 1140161435 /nfs/dbraw/zinc/16/14/35/1140161435.db2.gz YNUCETFTTCMIOX-BBLNCHDKSA-N 0 1 329.893 3.776 20 10 EHCDMN COc1cc(N[C@@H](C)c2ccc(F)c(F)c2O)cc(OC)c1OC ZINC000187836113 1140273611 /nfs/dbraw/zinc/27/36/11/1140273611.db2.gz NFKDSZMYNMOPDO-VIFPVBQESA-N 0 1 339.338 3.869 20 10 EHCDMN CCCNC(=O)c1cccc(N[C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187887956 1140275800 /nfs/dbraw/zinc/27/58/00/1140275800.db2.gz OHJHIVBWCKTNNG-LLVKDONJSA-N 0 1 334.366 3.983 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(Br)ccc1[O-] ZINC000188017715 1140280214 /nfs/dbraw/zinc/28/02/14/1140280214.db2.gz SAJRJAMKPICYGG-DFBGVHRSSA-N 0 1 342.277 3.747 20 10 EHCDMN CCOCc1cc(CNCc2cc(F)ccc2OC)ccc1OC ZINC000189198654 1140326110 /nfs/dbraw/zinc/32/61/10/1140326110.db2.gz YZPFMDVZYFFOET-UHFFFAOYSA-N 0 1 333.403 3.669 20 10 EHCDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccco1 ZINC000268865075 1141012251 /nfs/dbraw/zinc/01/22/51/1141012251.db2.gz NOQKJEUSWKGLIQ-KFWWJZLASA-N 0 1 332.419 3.883 20 10 EHCDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271225210 1141329177 /nfs/dbraw/zinc/32/91/77/1141329177.db2.gz QNUCHOPFKYYBGP-JBEBIEQOSA-N 0 1 348.487 3.822 20 10 EHCDMN C[C@@H](NCc1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000153923839 1014562257 /nfs/dbraw/zinc/56/22/57/1014562257.db2.gz SEMRLSZHXCTIAV-CQSZACIVSA-N 0 1 332.394 3.652 20 10 EHCDMN CC[C@@](C)(C(=O)[O-])[N@@H+](Cc1c(O)ccc(Cl)c1F)CC1CC1 ZINC001594787611 981824360 /nfs/dbraw/zinc/82/43/60/981824360.db2.gz JCUVMKNCQYLGKU-INIZCTEOSA-N 0 1 329.799 3.650 20 10 EHCDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1c(O)ccc(Cl)c1F)CC1CC1 ZINC001594787611 981824371 /nfs/dbraw/zinc/82/43/71/981824371.db2.gz JCUVMKNCQYLGKU-INIZCTEOSA-N 0 1 329.799 3.650 20 10 EHCDMN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000185084114 1032360950 /nfs/dbraw/zinc/36/09/50/1032360950.db2.gz ZKIHGIWJWOYAFP-GFCCVEGCSA-N 0 1 342.830 3.786 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cn(C)nc2C2CC2)cc1F ZINC000892948362 1017893586 /nfs/dbraw/zinc/89/35/86/1017893586.db2.gz QCDOCWPENZBXTO-UHFFFAOYSA-N 0 1 330.451 3.573 20 10 EHCDMN CCC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccccc1O ZINC000255960831 1019024121 /nfs/dbraw/zinc/02/41/21/1019024121.db2.gz GSOWPYSPTDHSIG-SJLPKXTDSA-N 0 1 332.488 3.641 20 10 EHCDMN CN1CCN(c2ccc(CNc3cccc(-n4cccc4)c3)cc2)CC1 ZINC001167434109 1020005795 /nfs/dbraw/zinc/00/57/95/1020005795.db2.gz CBOXSRXYTDJBGE-UHFFFAOYSA-N 0 1 346.478 3.841 20 10 EHCDMN CCOC(CC[NH2+][C@H](C)c1cc(Br)ccc1[O-])OCC ZINC000276520310 1021598801 /nfs/dbraw/zinc/59/88/01/1021598801.db2.gz MEQSCKUVTKDIIK-LLVKDONJSA-N 0 1 346.265 3.595 20 10 EHCDMN C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894450344 1022297975 /nfs/dbraw/zinc/29/79/75/1022297975.db2.gz YZLHQNCQJHKQQS-SNVBAGLBSA-N 0 1 339.208 3.882 20 10 EHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001142524724 1033228335 /nfs/dbraw/zinc/22/83/35/1033228335.db2.gz IHZRVEAHCRBUPU-AWEZNQCLSA-N 0 1 336.407 3.822 20 10 EHCDMN COC(=O)c1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])[nH]c1C(C)C ZINC000895141288 1024999877 /nfs/dbraw/zinc/99/98/77/1024999877.db2.gz WZPCRLKOGBHDKE-UHFFFAOYSA-N 0 1 336.819 3.574 20 10 EHCDMN CCC(CC)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435608736 1025030635 /nfs/dbraw/zinc/03/06/35/1025030635.db2.gz VEJYJAYIGRRDFV-UHFFFAOYSA-N 0 1 341.499 3.713 20 10 EHCDMN CC[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001142527514 1033276187 /nfs/dbraw/zinc/27/61/87/1033276187.db2.gz XPSUBCKANYUCBO-QGZVFWFLSA-N 0 1 346.421 3.767 20 10 EHCDMN C[C@H]1COc2ccccc2C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000783596745 1027569526 /nfs/dbraw/zinc/56/95/26/1027569526.db2.gz GLZIOLCMCHHULN-LBPRGKRZSA-N 0 1 348.240 3.938 20 10 EHCDMN C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cc(Br)ccc1[O-] ZINC000926915538 1031250606 /nfs/dbraw/zinc/25/06/06/1031250606.db2.gz IFXSCZHTJOYMPI-IUIKQTSFSA-N 0 1 340.261 3.765 20 10 EHCDMN C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(Br)cc1[O-] ZINC000528000605 1031563172 /nfs/dbraw/zinc/56/31/72/1031563172.db2.gz GZEXDZYVDNVNJG-DMZJWBPISA-N 0 1 328.250 3.617 20 10 EHCDMN COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142534648 1033344427 /nfs/dbraw/zinc/34/44/27/1033344427.db2.gz QRSFRKXUNDJGEQ-QGZVFWFLSA-N 0 1 347.361 3.794 20 10 EHCDMN CC[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000229574535 1034267529 /nfs/dbraw/zinc/26/75/29/1034267529.db2.gz DVNKTDGXWOFTEC-SMDDNHRTSA-N 0 1 328.250 3.622 20 10 EHCDMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C12CCC2 ZINC000761202523 1034411576 /nfs/dbraw/zinc/41/15/76/1034411576.db2.gz FQWUMLSICLHVJB-JKSUJKDBSA-N 0 1 339.863 3.834 20 10 EHCDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C12CCC2 ZINC000761202523 1034411582 /nfs/dbraw/zinc/41/15/82/1034411582.db2.gz FQWUMLSICLHVJB-JKSUJKDBSA-N 0 1 339.863 3.834 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1COCC1(C)C)c1cc(Br)ccc1[O-] ZINC000313024553 1036013339 /nfs/dbraw/zinc/01/33/39/1036013339.db2.gz LZZGEAAXJOREGC-GXTWGEPZSA-N 0 1 328.250 3.620 20 10 EHCDMN CCc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000165201387 1036318886 /nfs/dbraw/zinc/31/88/86/1036318886.db2.gz FVAMJJBLHBJCSN-CQSZACIVSA-N 0 1 332.419 3.669 20 10 EHCDMN COc1ccc(O)c([C@H](C)N[C@@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363855186 1038695896 /nfs/dbraw/zinc/69/58/96/1038695896.db2.gz MRBITSZVBZYMJU-VBKZILBWSA-N 0 1 337.423 3.575 20 10 EHCDMN CCCN(Cc1ccccc1O)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184226929 1038798198 /nfs/dbraw/zinc/79/81/98/1038798198.db2.gz PZLNUANRIWNWAA-UHFFFAOYSA-N 0 1 348.374 3.860 20 10 EHCDMN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)n[nH]2)cc1 ZINC000028494873 1039316145 /nfs/dbraw/zinc/31/61/45/1039316145.db2.gz CZSHHFLHWDQUNT-UHFFFAOYSA-N 0 1 348.450 3.723 20 10 EHCDMN Cc1cccc(C[N@H+](C)Cc2cc(Br)cc(F)c2[O-])n1 ZINC000894049788 1040010050 /nfs/dbraw/zinc/01/00/50/1040010050.db2.gz LNLIJOMZADLBCH-UHFFFAOYSA-N 0 1 339.208 3.629 20 10 EHCDMN O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)C1=CC(=O)CS1 ZINC000907815955 1040186026 /nfs/dbraw/zinc/18/60/26/1040186026.db2.gz PDEAZCMSALHSLW-GFCCVEGCSA-N 0 1 345.468 3.512 20 10 EHCDMN COC1CCC([N@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC000093414793 1042296623 /nfs/dbraw/zinc/29/66/23/1042296623.db2.gz HXUCNUCXRISXHB-UHFFFAOYSA-N 0 1 328.250 3.544 20 10 EHCDMN COC1CCC([N@@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC000093414793 1042296625 /nfs/dbraw/zinc/29/66/25/1042296625.db2.gz HXUCNUCXRISXHB-UHFFFAOYSA-N 0 1 328.250 3.544 20 10 EHCDMN C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc2ccccc2c1[O-] ZINC000184971665 1126724183 /nfs/dbraw/zinc/72/41/83/1126724183.db2.gz GFURFVLNKPIELB-CYBMUJFWSA-N 0 1 335.407 3.887 20 10 EHCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1Cl ZINC000072953289 1126949092 /nfs/dbraw/zinc/94/90/92/1126949092.db2.gz OUOFJOSKYLHKCJ-UHFFFAOYSA-N 0 1 330.859 3.809 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000764122312 1127447478 /nfs/dbraw/zinc/44/74/78/1127447478.db2.gz XWLGEGWDKXKEII-UHFFFAOYSA-N 0 1 334.419 3.736 20 10 EHCDMN CC[C@H]([NH2+]CCC[C@H](C)CO)c1cc(Br)ccc1[O-] ZINC000229565036 1120968652 /nfs/dbraw/zinc/96/86/52/1120968652.db2.gz MFXSGFAGWHMCNW-FZMZJTMJSA-N 0 1 330.266 3.604 20 10 EHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2n[nH]cc21 ZINC000918657989 1122876723 /nfs/dbraw/zinc/87/67/23/1122876723.db2.gz JATCHIARJOZVTA-UHFFFAOYSA-N 0 1 336.439 3.680 20 10 EHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCOC2(CCC2)C1 ZINC000183095371 1125445983 /nfs/dbraw/zinc/44/59/83/1125445983.db2.gz MBGUXUZZAZTZLR-UHFFFAOYSA-N 0 1 339.435 3.726 20 10 EHCDMN COc1ccc(CN[C@H]2CCCc3cccnc32)cc1Cn1cccn1 ZINC000922884400 1129712017 /nfs/dbraw/zinc/71/20/17/1129712017.db2.gz BECBJQNBYIZPFD-IBGZPJMESA-N 0 1 348.450 3.502 20 10 EHCDMN COC(=O)c1cc2ccccc2c(CN2Cc3ccccc3C2)c1O ZINC000729983285 1130662818 /nfs/dbraw/zinc/66/28/18/1130662818.db2.gz NPKOTFIRDPPONC-UHFFFAOYSA-N 0 1 333.387 3.848 20 10 EHCDMN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000766693140 1132752482 /nfs/dbraw/zinc/75/24/82/1132752482.db2.gz RVMVIWHGLVNWLK-SFHVURJKSA-N 0 1 334.423 3.625 20 10 EHCDMN Cc1cc(C)n2c(CN(Cc3ccc(N(C)C)cc3)C3CC3)cnc2n1 ZINC000768258730 1133118532 /nfs/dbraw/zinc/11/85/32/1133118532.db2.gz WORBSXVRNGEJFG-UHFFFAOYSA-N 0 1 349.482 3.577 20 10 EHCDMN C[C@@](O)(C1CC[NH+](Cc2c([O-])cccc2Cl)CC1)C(F)(F)F ZINC000768531327 1133151399 /nfs/dbraw/zinc/15/13/99/1133151399.db2.gz BEEWXFOJKRXNHD-CQSZACIVSA-N 0 1 337.769 3.571 20 10 EHCDMN Cc1cnn(-c2ccncc2NCc2c(C)c3ccccc3n2C)c1 ZINC001178377224 1133160716 /nfs/dbraw/zinc/16/07/16/1133160716.db2.gz FXFHTLURFNJODN-UHFFFAOYSA-N 0 1 331.423 3.988 20 10 EHCDMN CC(C)CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768913989 1133202038 /nfs/dbraw/zinc/20/20/38/1133202038.db2.gz BVIWDRVSJUHNPZ-INIZCTEOSA-N 0 1 338.879 3.562 20 10 EHCDMN CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2cc(C)ccc2O)cc1 ZINC000769103745 1133233023 /nfs/dbraw/zinc/23/30/23/1133233023.db2.gz BOUBIULQXHWJAE-MRXNPFEDSA-N 0 1 340.467 3.702 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000769485280 1133288907 /nfs/dbraw/zinc/28/89/07/1133288907.db2.gz MMDCDTJBHMPSOU-UHFFFAOYSA-N 0 1 336.151 3.849 20 10 EHCDMN CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001179877602 1133298093 /nfs/dbraw/zinc/29/80/93/1133298093.db2.gz IBBBNRDSIHODNI-IBGZPJMESA-N 0 1 328.431 3.800 20 10 EHCDMN C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(Br)cc1[O-] ZINC000769984993 1133372709 /nfs/dbraw/zinc/37/27/09/1133372709.db2.gz FIADDGNFBMNUHG-ZANVPECISA-N 0 1 342.258 3.600 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](Cc2cc(F)cc(F)c2[O-])C2CC2)cc1 ZINC001180558727 1133391795 /nfs/dbraw/zinc/39/17/95/1133391795.db2.gz RHRUHMSXDFISMX-UHFFFAOYSA-N 0 1 332.394 3.901 20 10 EHCDMN CCN(C)c1ccc(CN2CCC[C@@](OC)(C(F)(F)F)C2)cc1 ZINC000773889515 1133438971 /nfs/dbraw/zinc/43/89/71/1133438971.db2.gz WLVGTTZQSWNZEO-INIZCTEOSA-N 0 1 330.394 3.686 20 10 EHCDMN CC(C)OC[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000770687958 1133462102 /nfs/dbraw/zinc/46/21/02/1133462102.db2.gz HWTHYCKPSLENOW-HXUWFJFHSA-N 0 1 341.451 3.685 20 10 EHCDMN CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691501915 1133558836 /nfs/dbraw/zinc/55/88/36/1133558836.db2.gz QWJKCFCKBZEMBY-OLZOCXBDSA-N 0 1 330.291 3.919 20 10 EHCDMN Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC001182684495 1133718443 /nfs/dbraw/zinc/71/84/43/1133718443.db2.gz MBGZNJNKVMQASH-UHFFFAOYSA-N 0 1 331.803 3.637 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001183799658 1133860118 /nfs/dbraw/zinc/86/01/18/1133860118.db2.gz LWKCAUNIQYWLNT-IFXJQAMLSA-N 0 1 347.817 3.585 20 10 EHCDMN CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(Cl)cc2[O-])N(C)C)cc1 ZINC001184216900 1133909157 /nfs/dbraw/zinc/90/91/57/1133909157.db2.gz AYRJWWVFKCLCDI-SFHVURJKSA-N 0 1 347.890 3.504 20 10 EHCDMN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1c(O)cccc1OC ZINC000787330900 1133989854 /nfs/dbraw/zinc/98/98/54/1133989854.db2.gz FVSVQMVNISAMDG-MRXNPFEDSA-N 0 1 335.831 3.874 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1 ZINC000790935140 1134480893 /nfs/dbraw/zinc/48/08/93/1134480893.db2.gz VDTVTQLEKLSLSU-TZMCWYRMSA-N 0 1 342.277 3.589 20 10 EHCDMN COC1(C[NH2+]Cc2cc(Br)ccc2[O-])CCCCC1 ZINC000775320789 1134626052 /nfs/dbraw/zinc/62/60/52/1134626052.db2.gz ISBNJRBVBKRYGL-UHFFFAOYSA-N 0 1 328.250 3.594 20 10 EHCDMN CCc1ccc([C@@H]2COCCN2Cc2c(O)ccc(Cl)c2F)o1 ZINC000792165484 1134661095 /nfs/dbraw/zinc/66/10/95/1134661095.db2.gz GVUPGMBVCCWSMY-AWEZNQCLSA-N 0 1 339.794 3.914 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CNCc1nc(-c2ccccc2)no1 ZINC000792174962 1134663471 /nfs/dbraw/zinc/66/34/71/1134663471.db2.gz KFTMZSVGCWGRIO-UHFFFAOYSA-N 0 1 333.750 3.525 20 10 EHCDMN CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2[O-])C1(C)C ZINC001191204704 1134814562 /nfs/dbraw/zinc/81/45/62/1134814562.db2.gz VELSTAYVKMNBOH-YJBOKZPZSA-N 0 1 339.863 3.884 20 10 EHCDMN Cc1cc(OC(F)F)ccc1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193625679 1135161427 /nfs/dbraw/zinc/16/14/27/1135161427.db2.gz QTPDXWAVDIAQSW-UHFFFAOYSA-N 0 1 343.713 3.913 20 10 EHCDMN CC[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1OC ZINC001193633671 1135162501 /nfs/dbraw/zinc/16/25/01/1135162501.db2.gz DUMRXLMSHPVGKN-ZDUSSCGKSA-N 0 1 335.787 3.641 20 10 EHCDMN O=C(NCc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000804857816 1135213098 /nfs/dbraw/zinc/21/30/98/1135213098.db2.gz JHEARBMBVCDARI-UHFFFAOYSA-N 0 1 325.195 3.698 20 10 EHCDMN CS[C@H]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805159438 1135240153 /nfs/dbraw/zinc/24/01/53/1135240153.db2.gz NCCSUTNHPCEMLI-MNOVXSKESA-N 0 1 349.283 3.782 20 10 EHCDMN C[C@]1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCCS1 ZINC000805200043 1135246023 /nfs/dbraw/zinc/24/60/23/1135246023.db2.gz MOASOIBPZHVJKF-CQSZACIVSA-N 0 1 349.283 3.784 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1(C2CC2)CC1 ZINC000805225369 1135246986 /nfs/dbraw/zinc/24/69/86/1135246986.db2.gz GJRNMXXNOGNXPG-UHFFFAOYSA-N 0 1 329.227 3.688 20 10 EHCDMN CCOC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C ZINC000805334166 1135260586 /nfs/dbraw/zinc/26/05/86/1135260586.db2.gz VUBWOMFTYWCOFT-ZDUSSCGKSA-N 0 1 349.258 3.559 20 10 EHCDMN O=S(=O)(Nc1ccc(O)cc1O)c1cccc2c(Cl)cccc21 ZINC001194403699 1135265008 /nfs/dbraw/zinc/26/50/08/1135265008.db2.gz JBWBUQNGVJYIJR-UHFFFAOYSA-N 0 1 349.795 3.705 20 10 EHCDMN COCCC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000807839070 1135575466 /nfs/dbraw/zinc/57/54/66/1135575466.db2.gz WHCSNBVZUOLABA-UHFFFAOYSA-N 0 1 346.254 3.912 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc2c[nH]nc21 ZINC000807836173 1135580769 /nfs/dbraw/zinc/58/07/69/1135580769.db2.gz QDUYHQDZVVXSSM-UHFFFAOYSA-N 0 1 336.178 3.505 20 10 EHCDMN COc1cc(C)ccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839236 1135581238 /nfs/dbraw/zinc/58/12/38/1135581238.db2.gz ALXVNQCAGGQHQH-UHFFFAOYSA-N 0 1 340.206 3.946 20 10 EHCDMN CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000808703445 1135716155 /nfs/dbraw/zinc/71/61/55/1135716155.db2.gz 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CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000850484193 1136268123 /nfs/dbraw/zinc/26/81/23/1136268123.db2.gz DUTCNTILFFBVJT-GFCCVEGCSA-N 0 1 332.831 3.533 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccnc1Cl ZINC000850566599 1136287451 /nfs/dbraw/zinc/28/74/51/1136287451.db2.gz PYWNKRIKBUNBRG-CQSZACIVSA-N 0 1 345.874 3.547 20 10 EHCDMN Cc1cncc(/C=C\C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000813682313 1136356432 /nfs/dbraw/zinc/35/64/32/1136356432.db2.gz BSCXJFDDTRUEIC-IHWYPQMZSA-N 0 1 337.206 3.732 20 10 EHCDMN COc1ccccc1-c1ncc(CNCc2ccc(N(C)C)cc2)cn1 ZINC000813768908 1136360670 /nfs/dbraw/zinc/36/06/70/1136360670.db2.gz LTGAWTMFMAGEAH-UHFFFAOYSA-N 0 1 348.450 3.508 20 10 EHCDMN CC(C)(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000813792237 1136363158 /nfs/dbraw/zinc/36/31/58/1136363158.db2.gz MCUGCQUXPTZOOC-UHFFFAOYSA-N 0 1 346.421 3.826 20 10 EHCDMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCCC2)ccc1N1CCCCC1 ZINC000851706964 1136400663 /nfs/dbraw/zinc/40/06/63/1136400663.db2.gz 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ZINC000816501990 1136728104 /nfs/dbraw/zinc/72/81/04/1136728104.db2.gz JGVOMDFQTHKPJS-QGZVFWFLSA-N 0 1 339.769 3.897 20 10 EHCDMN Oc1cccc([C@@H]2CN(Cc3ccc4ccccc4c3O)CCO2)c1 ZINC000816513624 1136729258 /nfs/dbraw/zinc/72/92/58/1136729258.db2.gz WYHNALPSRCANHB-FQEVSTJZSA-N 0 1 335.403 3.825 20 10 EHCDMN [O-]c1c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)ccc2ccccc21 ZINC000816529238 1136734417 /nfs/dbraw/zinc/73/44/17/1136734417.db2.gz LMNFMTGTNSUGSP-HXUWFJFHSA-N 0 1 332.447 3.910 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000816619426 1136742675 /nfs/dbraw/zinc/74/26/75/1136742675.db2.gz GIRJYDWTARFAKP-OAHLLOKOSA-N 0 1 342.395 3.689 20 10 EHCDMN CCOc1cncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000857012590 1136832118 /nfs/dbraw/zinc/83/21/18/1136832118.db2.gz NIKJUQSNRIFRDY-UHFFFAOYSA-N 0 1 325.456 3.711 20 10 EHCDMN O=C(Cc1cnccc1Cl)NCc1cc(Cl)cc(Cl)c1O ZINC000857507719 1136877981 /nfs/dbraw/zinc/87/79/81/1136877981.db2.gz IPQPMMNTDBAYEJ-UHFFFAOYSA-N 0 1 345.613 3.606 20 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Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825418243 1137177361 /nfs/dbraw/zinc/17/73/61/1137177361.db2.gz UIOYCZXUYDLBLK-UHFFFAOYSA-N 0 1 332.831 3.699 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(Br)cc1[O-] ZINC000844919851 1137262629 /nfs/dbraw/zinc/26/26/29/1137262629.db2.gz HJSKICSQWRDADZ-FZMZJTMJSA-N 0 1 347.256 3.842 20 10 EHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001144293951 1137267638 /nfs/dbraw/zinc/26/76/38/1137267638.db2.gz WLARNXMJEBBDSA-WDEREUQCSA-N 0 1 328.225 3.916 20 10 EHCDMN C[C@H]1c2cccn2CCN1Cc1cc(Br)c(F)cc1O ZINC001144306511 1137270719 /nfs/dbraw/zinc/27/07/19/1137270719.db2.gz FFQIZPUNVMTDAR-JTQLQIEISA-N 0 1 339.208 3.672 20 10 EHCDMN Cc1cc(O)c(CN[C@@H](Cc2ccccc2)c2nccn2C)cc1C ZINC000846059705 1137327445 /nfs/dbraw/zinc/32/74/45/1137327445.db2.gz ZMYCLCHYAXSEQW-IBGZPJMESA-N 0 1 335.451 3.816 20 10 EHCDMN Cc1ncc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000866454115 1137356211 /nfs/dbraw/zinc/35/62/11/1137356211.db2.gz 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EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000105486787 1137881001 /nfs/dbraw/zinc/88/10/01/1137881001.db2.gz SDBLBFUNSJAPGQ-AWEZNQCLSA-N 0 1 334.213 3.637 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Br)ccc1[O-] ZINC000379986557 1137936275 /nfs/dbraw/zinc/93/62/75/1137936275.db2.gz LJPIZZBINKHHDD-TZMCWYRMSA-N 0 1 326.234 3.888 20 10 EHCDMN CCC[N@@H+](Cc1ccccc1O)Cc1ccc(OC)c(OC)c1OC ZINC000092704974 1138230621 /nfs/dbraw/zinc/23/06/21/1138230621.db2.gz SNTPYAHUVDEXGP-UHFFFAOYSA-N 0 1 345.439 3.830 20 10 EHCDMN Cc1ncc(CN(C)Cc2cc(Br)cc(C)c2O)s1 ZINC000179790360 1139783292 /nfs/dbraw/zinc/78/32/92/1139783292.db2.gz UUVSBTLCDHHHRT-UHFFFAOYSA-N 0 1 341.274 3.860 20 10 EHCDMN Cc1cc(Br)cc(C[N@@H+](C)CCc2nccs2)c1O ZINC000180632339 1139851503 /nfs/dbraw/zinc/85/15/03/1139851503.db2.gz KONSWJQPBIDSJI-UHFFFAOYSA-N 0 1 341.274 3.594 20 10 EHCDMN CCN(CC)c1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000182104073 1139950503 /nfs/dbraw/zinc/95/05/03/1139950503.db2.gz ZCBZJEIBJMGYRT-RDPSFJRHSA-N 0 1 344.524 3.742 20 10 EHCDMN COCCC(C)(C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000183935463 1140067206 /nfs/dbraw/zinc/06/72/06/1140067206.db2.gz UGQCIWRRQTVSQE-LLVKDONJSA-N 0 1 330.266 3.868 20 10 EHCDMN CC[C@@](C)(NCc1cc(Cl)cc(OC)c1O)c1nccs1 ZINC000184708814 1140116549 /nfs/dbraw/zinc/11/65/49/1140116549.db2.gz DVDNIKMIXDZQJT-OAHLLOKOSA-N 0 1 326.849 3.926 20 10 EHCDMN COc1cc(OC)c(CN[C@@H](C)c2ccc(C)cc2O)c(OC)c1 ZINC000185066209 1140134399 /nfs/dbraw/zinc/13/43/99/1140134399.db2.gz FUVUTJZXMKJUPS-ZDUSSCGKSA-N 0 1 331.412 3.577 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000185319558 1140144471 /nfs/dbraw/zinc/14/44/71/1140144471.db2.gz JUWZTBLBGBMELE-WNMQOVRZSA-N 0 1 340.261 3.763 20 10 EHCDMN COc1ccc(-n2ccc(CN[C@@H](C)c3ccc(C)cc3O)n2)cc1 ZINC000185348004 1140145777 /nfs/dbraw/zinc/14/57/77/1140145777.db2.gz VGEIIGDWOCPTNZ-HNNXBMFYSA-N 0 1 337.423 3.746 20 10 EHCDMN C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(Br)cc1[O-] ZINC000185534964 1140154149 /nfs/dbraw/zinc/15/41/49/1140154149.db2.gz SQGPVGKSBQHROI-HLHNXRDNSA-N 0 1 340.261 3.619 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(Br)cc1[O-] ZINC000185773768 1140169169 /nfs/dbraw/zinc/16/91/69/1140169169.db2.gz OLAKEMVNQMLSAA-DSPGLSBSSA-N 0 1 340.261 3.763 20 10 EHCDMN COCCC1(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000186134584 1140188180 /nfs/dbraw/zinc/18/81/80/1140188180.db2.gz NUTGSRGNLGEYRM-LLVKDONJSA-N 0 1 328.250 3.622 20 10 EHCDMN C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(Br)cc1[O-] ZINC000186532314 1140208873 /nfs/dbraw/zinc/20/88/73/1140208873.db2.gz DNEDQNNAYWPVDM-GWCFXTLKSA-N 0 1 340.217 3.522 20 10 EHCDMN C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(Br)ccc1[O-] ZINC000186558554 1140210134 /nfs/dbraw/zinc/21/01/34/1140210134.db2.gz FWSKMOLVQUGPEN-MFKMUULPSA-N 0 1 340.217 3.522 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000777438967 1140269311 /nfs/dbraw/zinc/26/93/11/1140269311.db2.gz DVBGTKMXXBRGKH-HNNXBMFYSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000777438967 1140269316 /nfs/dbraw/zinc/26/93/16/1140269316.db2.gz DVBGTKMXXBRGKH-HNNXBMFYSA-N 0 1 340.261 3.546 20 10 EHCDMN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1F ZINC000268798311 1140995177 /nfs/dbraw/zinc/99/51/77/1140995177.db2.gz AEWIPUIAKIQVAV-INIZCTEOSA-N 0 1 342.458 3.885 20 10 EHCDMN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1CC(=O)[O-] ZINC000833497036 605064332 /nfs/dbraw/zinc/06/43/32/605064332.db2.gz WNGFATCDEQYKPS-UHFFFAOYSA-N 0 1 340.467 3.790 20 10 EHCDMN CC(C)([NH3+])c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000904470543 1032068707 /nfs/dbraw/zinc/06/87/07/1032068707.db2.gz LLQJFRGXNGXWGU-UHFFFAOYSA-N 0 1 335.245 3.961 20 10 EHCDMN CCC(CC)c1cc(CNCc2ccc(OC)c(OC)c2O)on1 ZINC000893064055 1018321180 /nfs/dbraw/zinc/32/11/80/1018321180.db2.gz JSPWGVSMSLSIME-UHFFFAOYSA-N 0 1 334.416 3.591 20 10 EHCDMN Cc1noc(C)c1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280098083 1020080241 /nfs/dbraw/zinc/08/02/41/1020080241.db2.gz ZTZDCVVWLNPKQB-UHFFFAOYSA-N 0 1 327.350 3.666 20 10 EHCDMN COc1cc(C)cc(CNCc2cc([N+](=O)[O-])ccc2Cl)c1O ZINC000894331330 1021687373 /nfs/dbraw/zinc/68/73/73/1021687373.db2.gz FPUBEUCXXXEFOV-UHFFFAOYSA-N 0 1 336.775 3.561 20 10 EHCDMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000894533822 1022495423 /nfs/dbraw/zinc/49/54/23/1022495423.db2.gz PWAXZTPLSFBFGF-HAQNSBGRSA-N 0 1 348.668 3.543 20 10 EHCDMN COc1cc(C)cc(CNCc2cc(F)c(Cl)cc2F)c1O ZINC000894594126 1022604484 /nfs/dbraw/zinc/60/44/84/1022604484.db2.gz FCRGAHVOHNTVOL-UHFFFAOYSA-N 0 1 327.758 3.931 20 10 EHCDMN COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520069 1033212612 /nfs/dbraw/zinc/21/26/12/1033212612.db2.gz BDISWVIUEBCLQO-CQSZACIVSA-N 0 1 349.377 3.722 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000896422294 1025432153 /nfs/dbraw/zinc/43/21/53/1025432153.db2.gz JQELAHVOVOHAGV-DZGCQCFKSA-N 0 1 325.742 3.746 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000896422294 1025432166 /nfs/dbraw/zinc/43/21/66/1025432166.db2.gz JQELAHVOVOHAGV-DZGCQCFKSA-N 0 1 325.742 3.746 20 10 EHCDMN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC000897044406 1026262476 /nfs/dbraw/zinc/26/24/76/1026262476.db2.gz OIBWXDDEISNSEM-YPMHNXCESA-N 0 1 335.835 3.725 20 10 EHCDMN Cc1cc(Br)cc([C@@H](C)N[C@H](C)c2ccn(C)n2)c1O ZINC000840815290 1026378797 /nfs/dbraw/zinc/37/87/97/1026378797.db2.gz DLGLVVOJQSUROM-GHMZBOCLSA-N 0 1 338.249 3.608 20 10 EHCDMN CC[C@@H](C)NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176677024 1026426589 /nfs/dbraw/zinc/42/65/89/1026426589.db2.gz RMENQSPRQKBPAE-SJORKVTESA-N 0 1 340.467 3.870 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(Br)ccc1[O-] ZINC000273455169 1027437256 /nfs/dbraw/zinc/43/72/56/1027437256.db2.gz GWEZVTWNZZTBRC-WCQYABFASA-N 0 1 340.261 3.907 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000273586982 1027508200 /nfs/dbraw/zinc/50/82/00/1027508200.db2.gz OAUJDMFVCCWZJO-UAGQMJEPSA-N 0 1 340.467 3.843 20 10 EHCDMN C[C@H]1CCCN(c2ccc(CNCc3ccc(CO)o3)cc2Cl)C1 ZINC000282007446 1027711052 /nfs/dbraw/zinc/71/10/52/1027711052.db2.gz MNUUYEFIOUWTIF-AWEZNQCLSA-N 0 1 348.874 3.951 20 10 EHCDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708147348 1028204342 /nfs/dbraw/zinc/20/43/42/1028204342.db2.gz YWQLOAUURGMGTJ-GFCCVEGCSA-N 0 1 348.668 3.809 20 10 EHCDMN CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1cc(Br)ccc1[O-] ZINC000040774021 1031191173 /nfs/dbraw/zinc/19/11/73/1031191173.db2.gz GXILRERSUQOBQN-GXTWGEPZSA-N 0 1 330.266 3.602 20 10 EHCDMN CC[C@@H]([NH2+]CC(CC)(CC)CO)c1cc(Br)ccc1[O-] ZINC000229564585 1034256054 /nfs/dbraw/zinc/25/60/54/1034256054.db2.gz NEAXEXKHXJJIMI-CQSZACIVSA-N 0 1 344.293 3.994 20 10 EHCDMN [O-]c1c(F)cc(F)cc1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001204721035 1036836747 /nfs/dbraw/zinc/83/67/47/1036836747.db2.gz HPCUMTVFVWRHTR-UHFFFAOYSA-N 0 1 338.442 3.758 20 10 EHCDMN COC[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(F)c(F)c1 ZINC000182684823 1038627385 /nfs/dbraw/zinc/62/73/85/1038627385.db2.gz YOVGBICXFRUOGI-LJQANCHMSA-N 0 1 346.421 3.825 20 10 EHCDMN CC(C)c1nnc(NCc2cc(Cl)cc(Br)c2O)o1 ZINC000905405981 1038860785 /nfs/dbraw/zinc/86/07/85/1038860785.db2.gz NNFDLKKZOHRNAZ-UHFFFAOYSA-N 0 1 346.612 3.927 20 10 EHCDMN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(N(C)C)cc1 ZINC000178729508 1040774401 /nfs/dbraw/zinc/77/44/01/1040774401.db2.gz FMZBRALKKAGTDL-SFHVURJKSA-N 0 1 343.427 3.910 20 10 EHCDMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H](C)c3cc(C)ccc3O)n2)c1 ZINC000279151417 1043461598 /nfs/dbraw/zinc/46/15/98/1043461598.db2.gz AQWDOFSSELKJFJ-KGLIPLIRSA-N 0 1 337.427 3.601 20 10 EHCDMN CC[C@H](N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccccc1O ZINC000279473932 1044117371 /nfs/dbraw/zinc/11/73/71/1044117371.db2.gz KEHFSZAKEPHMPT-HIFRSBDPSA-N 0 1 337.427 3.683 20 10 EHCDMN CC(C)Cn1ccnc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185546065 1126933688 /nfs/dbraw/zinc/93/36/88/1126933688.db2.gz ACQFHNDCYUJEHF-HNNXBMFYSA-N 0 1 327.472 3.974 20 10 EHCDMN CS[C@H]1CCCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000770346960 1127572952 /nfs/dbraw/zinc/57/29/52/1127572952.db2.gz FSZUKYIHKTVTBP-ZDUSSCGKSA-N 0 1 330.291 3.872 20 10 EHCDMN CS[C@H]1CCCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000770346960 1127572954 /nfs/dbraw/zinc/57/29/54/1127572954.db2.gz FSZUKYIHKTVTBP-ZDUSSCGKSA-N 0 1 330.291 3.872 20 10 EHCDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1Cc2cccc(O)c2C1 ZINC001670425213 1120071527 /nfs/dbraw/zinc/07/15/27/1120071527.db2.gz JGZSHNGZADEKFR-UHFFFAOYSA-N 0 1 344.321 3.754 20 10 EHCDMN CCCN(CCC)C(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074627 1122471632 /nfs/dbraw/zinc/47/16/32/1122471632.db2.gz DHAMNQGCDLGPHD-UHFFFAOYSA-N 0 1 333.520 3.612 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000734851707 1131286687 /nfs/dbraw/zinc/28/66/87/1131286687.db2.gz HDWMEVZTJCCHIC-AWEZNQCLSA-N 0 1 334.822 3.943 20 10 EHCDMN Oc1cc(CN2CCC3(CC(F)C3)CC2)c(O)cc1Br ZINC001236769643 1124945586 /nfs/dbraw/zinc/94/55/86/1124945586.db2.gz XTUVMBJNGSTFSC-UHFFFAOYSA-N 0 1 344.224 3.574 20 10 EHCDMN COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1c([O-])cccc1F ZINC001137839161 1130566149 /nfs/dbraw/zinc/56/61/49/1130566149.db2.gz UIRTZRVDYCIMCZ-AWEZNQCLSA-N 0 1 333.403 3.577 20 10 EHCDMN COc1cccc(O)c1CNCc1ccc(Br)cc1F ZINC000732231211 1130903316 /nfs/dbraw/zinc/90/33/16/1130903316.db2.gz LUAYQTOBHQPKRQ-UHFFFAOYSA-N 0 1 340.192 3.592 20 10 EHCDMN CCC[N@@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740858961 1131549324 /nfs/dbraw/zinc/54/93/24/1131549324.db2.gz MSPAYDAZIQZBCS-SXLOBPIMSA-N 0 1 329.484 3.906 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000742167173 1131692599 /nfs/dbraw/zinc/69/25/99/1131692599.db2.gz TYYCWWVNQMDNOP-QGZVFWFLSA-N 0 1 326.440 3.864 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000742167173 1131692602 /nfs/dbraw/zinc/69/26/02/1131692602.db2.gz TYYCWWVNQMDNOP-QGZVFWFLSA-N 0 1 326.440 3.864 20 10 EHCDMN COC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CCO1 ZINC000742157329 1131694976 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ZINC000769314055 1133259277 /nfs/dbraw/zinc/25/92/77/1133259277.db2.gz CGDDDUNKERKRIP-HXUWFJFHSA-N 0 1 328.431 3.855 20 10 EHCDMN CC(C)(C)c1cc(C[N@H+]2CCC3(C2)OCCO3)c(O)c(C(C)(C)C)c1 ZINC000769310362 1133259519 /nfs/dbraw/zinc/25/95/19/1133259519.db2.gz KQZWUOYVRNJGAC-UHFFFAOYSA-N 0 1 347.499 3.936 20 10 EHCDMN CC(C)(C)c1cc(CN2CCC3(C2)OCCO3)c(O)c(C(C)(C)C)c1 ZINC000769310362 1133259525 /nfs/dbraw/zinc/25/95/25/1133259525.db2.gz KQZWUOYVRNJGAC-UHFFFAOYSA-N 0 1 347.499 3.936 20 10 EHCDMN CCC[N@H+](Cc1ccc(OCC)cc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769471273 1133297907 /nfs/dbraw/zinc/29/79/07/1133297907.db2.gz RQWDPFSPVGGJSC-QXAKKESOSA-N 0 1 333.472 3.816 20 10 EHCDMN CCC[N@@H+](Cc1ccc(OCC)cc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769471273 1133297910 /nfs/dbraw/zinc/29/79/10/1133297910.db2.gz RQWDPFSPVGGJSC-QXAKKESOSA-N 0 1 333.472 3.816 20 10 EHCDMN COc1cccc(O)c1CN1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000769473208 1133298765 /nfs/dbraw/zinc/29/87/65/1133298765.db2.gz 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[O-]c1cc(F)c(Br)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC001144299471 1137268546 /nfs/dbraw/zinc/26/85/46/1137268546.db2.gz XTMGGKLKNQSRIY-UHFFFAOYSA-N 0 1 338.167 3.915 20 10 EHCDMN CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000794834015 1137271626 /nfs/dbraw/zinc/27/16/26/1137271626.db2.gz WJLQASRYWVHAPC-VXGBXAGGSA-N 0 1 329.282 3.536 20 10 EHCDMN Cc1ncc([C@@H](C)[NH2+]Cc2c([O-])cccc2Br)s1 ZINC000865701813 1137305298 /nfs/dbraw/zinc/30/52/98/1137305298.db2.gz JKJOFXMNGLYPMJ-MRVPVSSYSA-N 0 1 327.247 3.770 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000846118174 1137333986 /nfs/dbraw/zinc/33/39/86/1137333986.db2.gz UYCQDTXXAZPYPK-ZDUSSCGKSA-N 0 1 332.188 3.694 20 10 EHCDMN COc1cccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)c1O ZINC000846154717 1137336558 /nfs/dbraw/zinc/33/65/58/1137336558.db2.gz RJYAVEYBFYAFKL-JTQLQIEISA-N 0 1 336.775 3.813 20 10 EHCDMN C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000846178365 1137340019 /nfs/dbraw/zinc/34/00/19/1137340019.db2.gz IFJDVIVJVLONOO-YJYMSZOUSA-N 0 1 331.843 3.573 20 10 EHCDMN CCN(CC)Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773006682 1137458243 /nfs/dbraw/zinc/45/82/43/1137458243.db2.gz DZSPBVLLXAJWQR-OAHLLOKOSA-N 0 1 343.471 3.678 20 10 EHCDMN COc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)cc1Cn1cccn1 ZINC000873126966 1137590727 /nfs/dbraw/zinc/59/07/27/1137590727.db2.gz FVEIVSIICPNHHV-BTYIYWSLSA-N 0 1 349.434 3.552 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1Cl ZINC000825944494 1137671893 /nfs/dbraw/zinc/67/18/93/1137671893.db2.gz XALFFABRKTWIMB-LPHOPBHVSA-N 0 1 331.843 3.610 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1Cl ZINC000825944493 1137671904 /nfs/dbraw/zinc/67/19/04/1137671904.db2.gz XALFFABRKTWIMB-APWZRJJASA-N 0 1 331.843 3.610 20 10 EHCDMN COc1cccc(C)c1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000877521226 1137679353 /nfs/dbraw/zinc/67/93/53/1137679353.db2.gz SVSZMYHZJXOHRK-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c(Cl)c1 ZINC000877645844 1137684258 /nfs/dbraw/zinc/68/42/58/1137684258.db2.gz XWBUFDGWOUCVEB-OAHLLOKOSA-N 0 1 332.831 3.540 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)c(Cl)c1 ZINC000877645844 1137684259 /nfs/dbraw/zinc/68/42/59/1137684259.db2.gz XWBUFDGWOUCVEB-OAHLLOKOSA-N 0 1 332.831 3.540 20 10 EHCDMN COc1ccc([C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCO2)cc1 ZINC000877757666 1137688318 /nfs/dbraw/zinc/68/83/18/1137688318.db2.gz QNUDKJKTMACTRR-QGZVFWFLSA-N 0 1 333.815 3.628 20 10 EHCDMN COc1ccc([C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)cc1 ZINC000877757666 1137688319 /nfs/dbraw/zinc/68/83/19/1137688319.db2.gz QNUDKJKTMACTRR-QGZVFWFLSA-N 0 1 333.815 3.628 20 10 EHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877825159 1137692421 /nfs/dbraw/zinc/69/24/21/1137692421.db2.gz XSVYZXQIVJGGGZ-UFBFGSQYSA-N 0 1 341.732 3.726 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877825156 1137692499 /nfs/dbraw/zinc/69/24/99/1137692499.db2.gz XSVYZXQIVJGGGZ-PELKAZGASA-N 0 1 341.732 3.726 20 10 EHCDMN O=C1N[C@@H](c2cc(Cl)cc(Cl)c2O)Nc2cc(F)c(F)cc21 ZINC000877860361 1137693870 /nfs/dbraw/zinc/69/38/70/1137693870.db2.gz YSUOCZMQLPJTRW-ZDUSSCGKSA-N 0 1 345.132 3.831 20 10 EHCDMN Oc1ccccc1C[N@@H+](C[C@H]1CCC2(CCOCC2)O1)C1CCCC1 ZINC000878103702 1137702448 /nfs/dbraw/zinc/70/24/48/1137702448.db2.gz MNMVCRCHIPNNJB-LJQANCHMSA-N 0 1 345.483 3.865 20 10 EHCDMN CCn1ncc(NCc2cc(Cl)cc(Br)c2O)c1C ZINC000883203532 1137848374 /nfs/dbraw/zinc/84/83/74/1137848374.db2.gz FMJWQZSBVMQPMI-UHFFFAOYSA-N 0 1 344.640 3.945 20 10 EHCDMN COc1ccccc1C(C)(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079413773 1138155775 /nfs/dbraw/zinc/15/57/75/1138155775.db2.gz XUBVALPGHLJXFK-UHFFFAOYSA-N 0 1 331.387 3.767 20 10 EHCDMN COc1ccc(F)cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000181260230 1139896953 /nfs/dbraw/zinc/89/69/53/1139896953.db2.gz RGMVKDUZRNPKMK-HNNXBMFYSA-N 0 1 344.430 3.522 20 10 EHCDMN C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc2ccccc2c1[O-] ZINC000185052412 1140133866 /nfs/dbraw/zinc/13/38/66/1140133866.db2.gz IXRRJYGZLAMQBM-AWEZNQCLSA-N 0 1 327.424 3.882 20 10 EHCDMN CCc1ncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000271033318 1141297762 /nfs/dbraw/zinc/29/77/62/1141297762.db2.gz ZQYMWMCZKBOHTD-OAHLLOKOSA-N 0 1 332.469 3.592 20 10 EHCDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271225211 1141328784 /nfs/dbraw/zinc/32/87/84/1141328784.db2.gz QNUCHOPFKYYBGP-LFPIHBKWSA-N 0 1 348.487 3.822 20 10 EHCDMN C[C@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O)c1ccccc1 ZINC001592592893 978522211 /nfs/dbraw/zinc/52/22/11/978522211.db2.gz TZTYMAOIAPJLIS-CYBMUJFWSA-N 0 1 333.815 3.736 20 10 EHCDMN CCCC[N@@H+](Cc1cc(C(=O)[O-])c(C)n1C)Cc1ccccc1O ZINC001595747972 982416535 /nfs/dbraw/zinc/41/65/35/982416535.db2.gz NXSHFCHQTITXCS-UHFFFAOYSA-N 0 1 330.428 3.540 20 10 EHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595748050 982417565 /nfs/dbraw/zinc/41/75/65/982417565.db2.gz QNUJBTMIPFGRAC-LJQANCHMSA-N 0 1 343.423 3.829 20 10 EHCDMN CCOc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1O ZINC001597155065 986945531 /nfs/dbraw/zinc/94/55/31/986945531.db2.gz HHKJTDLKMHCBGE-OAHLLOKOSA-N 0 1 343.423 3.514 20 10 EHCDMN CS[C@H]1CC[C@@H]([N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC001599788322 987963446 /nfs/dbraw/zinc/96/34/46/987963446.db2.gz SKVUMGLKQLZNOQ-KGLIPLIRSA-N 0 1 345.464 3.960 20 10 EHCDMN Cn1c(=O)[nH]c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc21 ZINC000799740302 1015646946 /nfs/dbraw/zinc/64/69/46/1015646946.db2.gz LPIYCGYMWMMLRN-UHFFFAOYSA-N 0 1 338.194 3.903 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000228554571 1032735565 /nfs/dbraw/zinc/73/55/65/1032735565.db2.gz IJPAYKSFDGZBQC-ZWNOBZJWSA-N 0 1 330.291 3.949 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000377795598 1018379790 /nfs/dbraw/zinc/37/97/90/1018379790.db2.gz FYGQERHGIBQVMP-DTWKUNHWSA-N 0 1 326.227 3.630 20 10 EHCDMN COc1ccc(C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)c(O)c1OC ZINC000894863463 1021513774 /nfs/dbraw/zinc/51/37/74/1021513774.db2.gz RLAPGDHGZJEUOO-ZDUSSCGKSA-N 0 1 333.403 3.612 20 10 EHCDMN CCN(Cc1ccccc1)c1ccc(CN[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000894771578 1022868674 /nfs/dbraw/zinc/86/86/74/1022868674.db2.gz NXYSOIFLHCSDCD-MRXNPFEDSA-N 0 1 349.482 3.990 20 10 EHCDMN CN(C)c1ccc(CN[C@H](CO)c2ccccc2)c(C(F)(F)F)c1 ZINC000280956983 1024488682 /nfs/dbraw/zinc/48/86/82/1024488682.db2.gz SBDRSTZFLQTYQM-QGZVFWFLSA-N 0 1 338.373 3.595 20 10 EHCDMN CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000326775349 1024664773 /nfs/dbraw/zinc/66/47/73/1024664773.db2.gz SBUZHUREYLDUDP-CQSZACIVSA-N 0 1 334.419 3.756 20 10 EHCDMN CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2Cc3cccc(O)c3C2)C1 ZINC000895784201 1024828685 /nfs/dbraw/zinc/82/86/85/1024828685.db2.gz DWZXWMWKVACDRS-HXUWFJFHSA-N 0 1 346.471 3.745 20 10 EHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000895149956 1025142019 /nfs/dbraw/zinc/14/20/19/1025142019.db2.gz VDJACHWEBPJFNH-DTORHVGOSA-N 0 1 338.579 3.505 20 10 EHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000895149956 1025142026 /nfs/dbraw/zinc/14/20/26/1025142026.db2.gz VDJACHWEBPJFNH-DTORHVGOSA-N 0 1 338.579 3.505 20 10 EHCDMN Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)nc1C ZINC000840782439 1026216454 /nfs/dbraw/zinc/21/64/54/1026216454.db2.gz CPOWUPZWALTXOX-INIZCTEOSA-N 0 1 343.446 3.525 20 10 EHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc2[nH]cnc21 ZINC000158702231 1026253862 /nfs/dbraw/zinc/25/38/62/1026253862.db2.gz KVLDYHDJDTVUQJ-UHFFFAOYSA-N 0 1 348.450 3.825 20 10 EHCDMN Cc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)o1 ZINC000278325915 1030184569 /nfs/dbraw/zinc/18/45/69/1030184569.db2.gz VPRYFPJXDNINHB-AWEZNQCLSA-N 0 1 346.446 3.847 20 10 EHCDMN Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093864049 1030684150 /nfs/dbraw/zinc/68/41/50/1030684150.db2.gz ZLNKXJMQPRFEGU-CQSZACIVSA-N 0 1 340.254 3.942 20 10 EHCDMN Cc1cccc(O)c1CNCc1csc(=NC(=O)OC(C)(C)C)[nH]1 ZINC000898103840 1033350382 /nfs/dbraw/zinc/35/03/82/1033350382.db2.gz OPVVLBNPLNQCLG-UHFFFAOYSA-N 0 1 349.456 3.794 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000170790664 1033612315 /nfs/dbraw/zinc/61/23/15/1033612315.db2.gz WDENJSRMKZIGNK-HNNXBMFYSA-N 0 1 345.748 3.585 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000227439964 1034008528 /nfs/dbraw/zinc/00/85/28/1034008528.db2.gz NJGRCFNFBRPESG-UHFFFAOYSA-N 0 1 328.156 3.723 20 10 EHCDMN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c(Cl)c1 ZINC000171936783 1034723763 /nfs/dbraw/zinc/72/37/63/1034723763.db2.gz PZTYOBQTNSTCTN-CYBMUJFWSA-N 0 1 332.831 3.813 20 10 EHCDMN C[C@@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000186633967 1035676870 /nfs/dbraw/zinc/67/68/70/1035676870.db2.gz YZHFLUSMUKVHPL-CWTRNNRKSA-N 0 1 343.377 3.844 20 10 EHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(Br)n1 ZINC000924574860 1035797699 /nfs/dbraw/zinc/79/76/99/1035797699.db2.gz QBRDWIJJKIWBLG-LBPRGKRZSA-N 0 1 334.261 3.761 20 10 EHCDMN Cc1cc2c(cn1)CN(Cc1c(O)cc(Br)cc1F)C2 ZINC001233030200 1036251023 /nfs/dbraw/zinc/25/10/23/1036251023.db2.gz PXGFEAPOWJVPIK-UHFFFAOYSA-N 0 1 337.192 3.513 20 10 EHCDMN C[C@@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1cc(F)ccc1O ZINC000363853449 1038693641 /nfs/dbraw/zinc/69/36/41/1038693641.db2.gz KWROYVXESNZXCA-BFUOFWGJSA-N 0 1 325.387 3.705 20 10 EHCDMN CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000927138565 1039316497 /nfs/dbraw/zinc/31/64/97/1039316497.db2.gz GDXMDJLASHTNPN-VIFPVBQESA-N 0 1 339.233 3.864 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000781901358 1040364859 /nfs/dbraw/zinc/36/48/59/1040364859.db2.gz QYKKRCDVNYVGRU-UHFFFAOYSA-N 0 1 336.229 3.801 20 10 EHCDMN CCc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000760656701 1041127358 /nfs/dbraw/zinc/12/73/58/1041127358.db2.gz KYJYXAMXYRUOGC-GASCZTMLSA-N 0 1 346.446 3.885 20 10 EHCDMN Cc1ccc(C)c(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000194754599 1041322060 /nfs/dbraw/zinc/32/20/60/1041322060.db2.gz LOHAHTJRZGQENJ-WJDWOHSUSA-N 0 1 346.521 3.599 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1COCC1(C)C)c1cc(Br)ccc1[O-] ZINC000313024555 1041749821 /nfs/dbraw/zinc/74/98/21/1041749821.db2.gz LZZGEAAXJOREGC-OCCSQVGLSA-N 0 1 328.250 3.620 20 10 EHCDMN CCOc1ccc(O)c(CNC(C)(C)c2nc3ccccc3n2C)c1 ZINC000185640328 1126964621 /nfs/dbraw/zinc/96/46/21/1126964621.db2.gz BGAVBSYMMXMHSC-UHFFFAOYSA-N 0 1 339.439 3.703 20 10 EHCDMN C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000186074343 1127250267 /nfs/dbraw/zinc/25/02/67/1127250267.db2.gz CKGQTRFGVJWIBN-HNNXBMFYSA-N 0 1 329.440 3.782 20 10 EHCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCOC2(CCC2)C1)CCCC3 ZINC000765725646 1127744460 /nfs/dbraw/zinc/74/44/60/1127744460.db2.gz RTCNPGHAMFLUEP-UHFFFAOYSA-N 0 1 327.424 3.772 20 10 EHCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCOC2(CCC2)C1)CCCC3 ZINC000765725646 1127744464 /nfs/dbraw/zinc/74/44/64/1127744464.db2.gz RTCNPGHAMFLUEP-UHFFFAOYSA-N 0 1 327.424 3.772 20 10 EHCDMN COC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(F)c(F)c1 ZINC000186225775 1128349842 /nfs/dbraw/zinc/34/98/42/1128349842.db2.gz YCYQLYZTDWJRLX-APPDUMDISA-N 0 1 337.366 3.717 20 10 EHCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)CN(C)C(=O)OC(C)(C)C ZINC000226648456 1120180252 /nfs/dbraw/zinc/18/02/52/1120180252.db2.gz BWRAAUQXBKWMGL-GFCCVEGCSA-N 0 1 342.867 3.638 20 10 EHCDMN CCN(C(=O)C1=CC(=O)CS1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000762562512 1121354413 /nfs/dbraw/zinc/35/44/13/1121354413.db2.gz LDPFVZKWJWNVNJ-GOEBONIOSA-N 0 1 344.480 3.751 20 10 EHCDMN CCN(C(=O)C1=CC(=O)CS1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000762562512 1121354423 /nfs/dbraw/zinc/35/44/23/1121354423.db2.gz LDPFVZKWJWNVNJ-GOEBONIOSA-N 0 1 344.480 3.751 20 10 EHCDMN CC(C)N(CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1ccc(N(C)C)cc1 ZINC000917074906 1122472344 /nfs/dbraw/zinc/47/23/44/1122472344.db2.gz KTWRXBIWBRQKAB-HDICACEKSA-N 0 1 345.531 3.753 20 10 EHCDMN CC1CCN(c2ccc(CNC(=O)c3n[nH]c4ccccc43)cc2)CC1 ZINC000731017112 1130760555 /nfs/dbraw/zinc/76/05/55/1130760555.db2.gz WPZHHACQYIQKIZ-UHFFFAOYSA-N 0 1 348.450 3.729 20 10 EHCDMN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccc(F)c(F)c1)OCO2 ZINC000732980077 1130978734 /nfs/dbraw/zinc/97/87/34/1130978734.db2.gz GUTPKGMIFGZNNY-OAHLLOKOSA-N 0 1 333.334 3.736 20 10 EHCDMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441615 1132100422 /nfs/dbraw/zinc/10/04/22/1132100422.db2.gz PRLTUGAXYQXHFO-GDBMZVCRSA-N 0 1 339.435 3.949 20 10 EHCDMN C[C@H](NCc1ccn(-c2c(F)cccc2F)n1)c1ccccc1O ZINC001175418771 1132663668 /nfs/dbraw/zinc/66/36/68/1132663668.db2.gz NXAJENLLNQZBFT-LBPRGKRZSA-N 0 1 329.350 3.707 20 10 EHCDMN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C1(CC)CC ZINC001169570618 1132788630 /nfs/dbraw/zinc/78/86/30/1132788630.db2.gz XOVPOEDZJYNYRX-SJORKVTESA-N 0 1 337.435 3.807 20 10 EHCDMN C[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000691426801 1132847051 /nfs/dbraw/zinc/84/70/51/1132847051.db2.gz KYOSQVGYUUBVKT-QMMMGPOBSA-N 0 1 326.156 3.833 20 10 EHCDMN Cc1cc(CN2CCN(c3cccc(F)c3F)CC2)ccc1N(C)C ZINC001169909105 1132896750 /nfs/dbraw/zinc/89/67/50/1132896750.db2.gz YQLRRTSSZMNBKA-UHFFFAOYSA-N 0 1 345.437 3.661 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(Cn3cccn3)cc2)c(Cl)c1 ZINC001177060803 1133026905 /nfs/dbraw/zinc/02/69/05/1133026905.db2.gz DNTJZFDTCSLGJJ-UHFFFAOYSA-N 0 1 341.842 3.889 20 10 EHCDMN COc1cc(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)c(O)cc1C ZINC000768465293 1133144446 /nfs/dbraw/zinc/14/44/46/1133144446.db2.gz FRRHYRIICPYGLS-HRAATJIYSA-N 0 1 341.451 3.980 20 10 EHCDMN Cc1nn2c(CN(C)Cc3ccccc3O)c(C(C)C)nc2s1 ZINC000768872858 1133194307 /nfs/dbraw/zinc/19/43/07/1133194307.db2.gz KYJRRXDUTWYEPO-UHFFFAOYSA-N 0 1 330.457 3.560 20 10 EHCDMN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cnc(C(C)C)[nH]2)cc1 ZINC001179087622 1133227326 /nfs/dbraw/zinc/22/73/26/1133227326.db2.gz DFEGMUCNHFPSIM-UHFFFAOYSA-N 0 1 336.439 3.871 20 10 EHCDMN CCOc1ccc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c(O)c1 ZINC000769108036 1133228047 /nfs/dbraw/zinc/22/80/47/1133228047.db2.gz XFFFAPGMGODFRG-QRWLVFNGSA-N 0 1 327.424 3.753 20 10 EHCDMN COc1cccc(O)c1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000769191962 1133234035 /nfs/dbraw/zinc/23/40/35/1133234035.db2.gz NFKUIKBSMXWIGF-KRWDZBQOSA-N 0 1 345.414 3.721 20 10 EHCDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1F ZINC000769314216 1133260053 /nfs/dbraw/zinc/26/00/53/1133260053.db2.gz WJOULXSPAOWRGD-QGZVFWFLSA-N 0 1 330.451 3.706 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769518773 1133308773 /nfs/dbraw/zinc/30/87/73/1133308773.db2.gz CITWMQIESGANBP-LBPRGKRZSA-N 0 1 330.255 3.948 20 10 EHCDMN CCOC(=O)CCC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000769524426 1133309218 /nfs/dbraw/zinc/30/92/18/1133309218.db2.gz DUEKNWXGQPOESN-UHFFFAOYSA-N 0 1 325.836 3.601 20 10 EHCDMN C[N@@H+](CCOc1ccccc1F)Cc1cc(Cl)c(F)cc1[O-] ZINC001180444298 1133370994 /nfs/dbraw/zinc/37/09/94/1133370994.db2.gz CTMLVANVAHDFMF-UHFFFAOYSA-N 0 1 327.758 3.835 20 10 EHCDMN CS[C@@H]1CCCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000770346959 1133418809 /nfs/dbraw/zinc/41/88/09/1133418809.db2.gz FSZUKYIHKTVTBP-CYBMUJFWSA-N 0 1 330.291 3.872 20 10 EHCDMN CS[C@@H]1CCCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000770346959 1133418811 /nfs/dbraw/zinc/41/88/11/1133418811.db2.gz FSZUKYIHKTVTBP-CYBMUJFWSA-N 0 1 330.291 3.872 20 10 EHCDMN CCc1ccc([C@H]2CN(Cc3cc(F)cc(F)c3O)CCO2)cc1 ZINC001180885387 1133419613 /nfs/dbraw/zinc/41/96/13/1133419613.db2.gz PQINNWYVBQHZEE-GOSISDBHSA-N 0 1 333.378 3.806 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1CCSC[C@H]1c1nccs1 ZINC000770676172 1133458900 /nfs/dbraw/zinc/45/89/00/1133458900.db2.gz QZGAJUGCSBLIMI-LBPRGKRZSA-N 0 1 344.864 3.931 20 10 EHCDMN CCc1nc(CN(Cc2cccs2)c2ccc(OC)cc2)n[nH]1 ZINC000771762535 1133596297 /nfs/dbraw/zinc/59/62/97/1133596297.db2.gz MBUXIQPDPZBPCR-UHFFFAOYSA-N 0 1 328.441 3.644 20 10 EHCDMN Fc1cc(CN2CC[C@@H]2c2ccccc2)ccc1N1CCOCC1 ZINC000771940819 1133618168 /nfs/dbraw/zinc/61/81/68/1133618168.db2.gz WUKQCGXMDMABEZ-LJQANCHMSA-N 0 1 326.415 3.609 20 10 EHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001183510391 1133820927 /nfs/dbraw/zinc/82/09/27/1133820927.db2.gz DBSOYYYPYGZOAR-AWEZNQCLSA-N 0 1 325.399 3.699 20 10 EHCDMN Oc1c(F)cc(Br)cc1CN1CCc2ccsc2C1 ZINC001184135711 1133898006 /nfs/dbraw/zinc/89/80/06/1133898006.db2.gz UJAYGKAKIBLBJB-UHFFFAOYSA-N 0 1 342.233 3.914 20 10 EHCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCc2ccsc2C1 ZINC001184135711 1133898012 /nfs/dbraw/zinc/89/80/12/1133898012.db2.gz UJAYGKAKIBLBJB-UHFFFAOYSA-N 0 1 342.233 3.914 20 10 EHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCc2ccsc2C1 ZINC001184135711 1133898020 /nfs/dbraw/zinc/89/80/20/1133898020.db2.gz UJAYGKAKIBLBJB-UHFFFAOYSA-N 0 1 342.233 3.914 20 10 EHCDMN COc1c([O-])c(C[N@@H+](CC2CCCCC2)C2CC2)ccc1[N+](=O)[O-] ZINC000774845111 1134054197 /nfs/dbraw/zinc/05/41/97/1134054197.db2.gz IFMSEBWEECSPGX-UHFFFAOYSA-N 0 1 334.416 3.854 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000774880044 1134096926 /nfs/dbraw/zinc/09/69/26/1134096926.db2.gz DXURGCUAYKRZJP-UHFFFAOYSA-N 0 1 348.786 3.521 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000774880044 1134096931 /nfs/dbraw/zinc/09/69/31/1134096931.db2.gz DXURGCUAYKRZJP-UHFFFAOYSA-N 0 1 348.786 3.521 20 10 EHCDMN CCN(CC)c1ccc(CNCc2ccc(-c3cc[nH]n3)o2)cc1F ZINC000788520791 1134137292 /nfs/dbraw/zinc/13/72/92/1134137292.db2.gz WMNSXVGMXHCJRJ-UHFFFAOYSA-N 0 1 342.418 3.945 20 10 EHCDMN CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1cc(Cl)ccc1[O-] ZINC000788606199 1134150523 /nfs/dbraw/zinc/15/05/23/1134150523.db2.gz DUVMNRSVQFKZPP-OAHLLOKOSA-N 0 1 333.819 3.640 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000746757110 1134156299 /nfs/dbraw/zinc/15/62/99/1134156299.db2.gz ZLVJMMVWSDTYOE-UHFFFAOYSA-N 0 1 346.736 3.628 20 10 EHCDMN CCOc1ccc(CNCc2nc3cccc(Cl)c3n2C)c(O)c1 ZINC000775320348 1134630520 /nfs/dbraw/zinc/63/05/20/1134630520.db2.gz DLPJAGMUANTFLF-UHFFFAOYSA-N 0 1 345.830 3.621 20 10 EHCDMN COc1ccc(C2([NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])CC2)cc1 ZINC000775411180 1134749696 /nfs/dbraw/zinc/74/96/96/1134749696.db2.gz CRDATXZOQCRIPV-UHFFFAOYSA-N 0 1 329.371 3.521 20 10 EHCDMN CC[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775490286 1134936527 /nfs/dbraw/zinc/93/65/27/1134936527.db2.gz BEDWMMDMIOBZDZ-INIZCTEOSA-N 0 1 338.879 3.925 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1[O-] ZINC000775500504 1134968341 /nfs/dbraw/zinc/96/83/41/1134968341.db2.gz QHSKQPDCJLAONQ-AAEUAGOBSA-N 0 1 336.785 3.723 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775522895 1135001715 /nfs/dbraw/zinc/00/17/15/1135001715.db2.gz AZRXNZNQZRDVKQ-MJGOQNOKSA-N 0 1 331.843 3.920 20 10 EHCDMN CCCc1nc(C)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000794410563 1135045248 /nfs/dbraw/zinc/04/52/48/1135045248.db2.gz BOWFWEDJJKNVPI-KRWDZBQOSA-N 0 1 344.455 3.822 20 10 EHCDMN C[C@@H](NCc1nc2cccc(Cl)c2n1C)c1cc(F)ccc1O ZINC000775558478 1135086223 /nfs/dbraw/zinc/08/62/23/1135086223.db2.gz MSPRGGYSMFSPIB-SNVBAGLBSA-N 0 1 333.794 3.922 20 10 EHCDMN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000775581409 1135118430 /nfs/dbraw/zinc/11/84/30/1135118430.db2.gz OFZFVOOPLUHXSI-XQQFMLRXSA-N 0 1 340.851 3.563 20 10 EHCDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc[nH]1 ZINC000805238687 1135247837 /nfs/dbraw/zinc/24/78/37/1135247837.db2.gz WWKBKELNHCQCAY-QMMMGPOBSA-N 0 1 328.199 3.588 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](Cc2cn(C)nc2C(C)(C)C)C2CC2)cc1 ZINC000775648716 1135406277 /nfs/dbraw/zinc/40/62/77/1135406277.db2.gz ITKNPOAYLOIQNE-UHFFFAOYSA-N 0 1 340.515 3.948 20 10 EHCDMN CN(C)c1ccc(CN(Cc2cn(C)nc2C(C)(C)C)C2CC2)cc1 ZINC000775648716 1135406279 /nfs/dbraw/zinc/40/62/79/1135406279.db2.gz ITKNPOAYLOIQNE-UHFFFAOYSA-N 0 1 340.515 3.948 20 10 EHCDMN Cc1cc(Cl)cc(CN2CCC[C@@H](OCC(F)(F)F)C2)c1O ZINC000775654131 1135423449 /nfs/dbraw/zinc/42/34/49/1135423449.db2.gz GURALXPRYMNHOO-CYBMUJFWSA-N 0 1 337.769 3.897 20 10 EHCDMN COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(F)c1 ZINC000807837524 1135580427 /nfs/dbraw/zinc/58/04/27/1135580427.db2.gz TWEMNJRYBKMHMJ-UHFFFAOYSA-N 0 1 344.169 3.777 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(Br)cc1[O-] ZINC000808728239 1135724456 /nfs/dbraw/zinc/72/44/56/1135724456.db2.gz OYKUBTFLMBFOOO-RYUDHWBXSA-N 0 1 348.240 3.982 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)NCc2csc(N(C)C)n2)c1O ZINC000808700248 1135725928 /nfs/dbraw/zinc/72/59/28/1135725928.db2.gz JLUAEEZGZADCKN-JTQLQIEISA-N 0 1 325.865 3.727 20 10 EHCDMN Cc1ccc(NC(=S)Nc2cccc(N3CCN(C)CC3)c2)cc1 ZINC001197923388 1135750965 /nfs/dbraw/zinc/75/09/65/1135750965.db2.gz RYDFGZGKJQYZKJ-UHFFFAOYSA-N 0 1 340.496 3.556 20 10 EHCDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809700837 1135869889 /nfs/dbraw/zinc/86/98/89/1135869889.db2.gz PEQMJWJARBJPCG-TZMCWYRMSA-N 0 1 342.277 3.670 20 10 EHCDMN CCN(CC(=O)N1CCCCCC1)Cc1cc(Cl)cc(C)c1O ZINC000809713268 1135876485 /nfs/dbraw/zinc/87/64/85/1135876485.db2.gz FVVDAKYWOUFDBC-UHFFFAOYSA-N 0 1 338.879 3.579 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239733 1135946787 /nfs/dbraw/zinc/94/67/87/1135946787.db2.gz YWIUYGMTWDZJDT-OCCSQVGLSA-N 0 1 339.361 3.663 20 10 EHCDMN CC[C@H]([NH2+][C@@H](CCOC)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810258123 1135949542 /nfs/dbraw/zinc/94/95/42/1135949542.db2.gz ZUTBSRLRJSXICO-JSGCOSHPSA-N 0 1 335.366 3.503 20 10 EHCDMN COc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(OC)n1 ZINC001201567406 1136041664 /nfs/dbraw/zinc/04/16/64/1136041664.db2.gz ZSHNSZSTUWQBJS-UHFFFAOYSA-N 0 1 329.183 3.723 20 10 EHCDMN COc1cc(CN[C@H]2C[C@H](C)n3ccnc32)c(O)c(C(C)(C)C)c1 ZINC000850315190 1136234312 /nfs/dbraw/zinc/23/43/12/1136234312.db2.gz QXLJIHZOHBGVFV-LRDDRELGSA-N 0 1 329.444 3.690 20 10 EHCDMN COc1ccc(-c2cc(CNCc3ccc4c(c3)CCO4)on2)cc1 ZINC000850367974 1136242647 /nfs/dbraw/zinc/24/26/47/1136242647.db2.gz GJUGURJJMYWNEZ-UHFFFAOYSA-N 0 1 336.391 3.575 20 10 EHCDMN Cc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)c(Cl)c1 ZINC000850406901 1136251381 /nfs/dbraw/zinc/25/13/81/1136251381.db2.gz YJWXHZRRXFSJSI-UHFFFAOYSA-N 0 1 344.886 3.899 20 10 EHCDMN C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc(Cl)cc1[O-] ZINC000850485688 1136268005 /nfs/dbraw/zinc/26/80/05/1136268005.db2.gz MNEIEIMIRNTZJH-MRVPVSSYSA-N 0 1 331.725 3.705 20 10 EHCDMN C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(Cl)ccc1[O-] ZINC000850486673 1136268469 /nfs/dbraw/zinc/26/84/69/1136268469.db2.gz UTQLSQLAJAJZTA-MRVPVSSYSA-N 0 1 331.725 3.705 20 10 EHCDMN COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])C2)cc1 ZINC000850489517 1136270071 /nfs/dbraw/zinc/27/00/71/1136270071.db2.gz VAMWYIIKOWNTLR-ZFWWWQNUSA-N 0 1 346.858 3.984 20 10 EHCDMN CC[C@@H]([NH2+][C@H](COC)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000850492386 1136271094 /nfs/dbraw/zinc/27/10/94/1136271094.db2.gz APGUGQSFDJDGAG-HZPDHXFCSA-N 0 1 327.852 3.528 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(Br)cc1[O-] ZINC000850534001 1136281169 /nfs/dbraw/zinc/28/11/69/1136281169.db2.gz DWWJYCRKSXSIGT-NTZNESFSSA-N 0 1 328.250 3.763 20 10 EHCDMN Oc1ccccc1C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCCO1 ZINC000111232899 1136524425 /nfs/dbraw/zinc/52/44/25/1136524425.db2.gz BJAVXSLBHWCVCQ-IBGZPJMESA-N 0 1 339.435 3.508 20 10 EHCDMN C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCO1 ZINC000854476016 1136619214 /nfs/dbraw/zinc/61/92/14/1136619214.db2.gz ZLZJHEADHDHHQV-RNCFNFMXSA-N 0 1 332.227 3.520 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000816496001 1136725202 /nfs/dbraw/zinc/72/52/02/1136725202.db2.gz RWIQXDQLZNZSQI-AWEZNQCLSA-N 0 1 339.794 3.959 20 10 EHCDMN [O-]c1c(C[NH2+]C2CCN(Cc3ccncc3)CC2)ccc2ccccc21 ZINC000816536462 1136731252 /nfs/dbraw/zinc/73/12/52/1136731252.db2.gz YCWQZIHIKLBHOD-UHFFFAOYSA-N 0 1 347.462 3.695 20 10 EHCDMN [O-]c1c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)ccc2ccccc21 ZINC000816529237 1136734211 /nfs/dbraw/zinc/73/42/11/1136734211.db2.gz LMNFMTGTNSUGSP-FQEVSTJZSA-N 0 1 332.447 3.910 20 10 EHCDMN COc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc3ccccc3c1[O-])C2 ZINC000816559430 1136736627 /nfs/dbraw/zinc/73/66/27/1136736627.db2.gz JZTSFEAPOMXFNB-QGZVFWFLSA-N 0 1 335.403 3.647 20 10 EHCDMN CC(C)[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C ZINC000816558167 1136737057 /nfs/dbraw/zinc/73/70/57/1136737057.db2.gz PAOJQXHYYARCNQ-AWEZNQCLSA-N 0 1 331.815 3.641 20 10 EHCDMN CO[C@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000816682016 1136748446 /nfs/dbraw/zinc/74/84/46/1136748446.db2.gz MPEKMVPDEYTRDG-CABZTGNLSA-N 0 1 332.227 3.520 20 10 EHCDMN CC(C)(C)c1n[nH]cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000816682276 1136748526 /nfs/dbraw/zinc/74/85/26/1136748526.db2.gz UBHHWYUENGBKRM-UHFFFAOYSA-N 0 1 342.226 3.650 20 10 EHCDMN Cc1cccc(OCC[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000218143669 1136754768 /nfs/dbraw/zinc/75/47/68/1136754768.db2.gz BRSNSKZEWCHHQK-UHFFFAOYSA-N 0 1 336.229 3.632 20 10 EHCDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000817882044 1136843351 /nfs/dbraw/zinc/84/33/51/1136843351.db2.gz WKKAKBSGOXAXDF-KBXCAEBGSA-N 0 1 325.408 3.602 20 10 EHCDMN C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1c([O-])cccc1Br ZINC000858125337 1136941817 /nfs/dbraw/zinc/94/18/17/1136941817.db2.gz AJFXMQUPKWUTDY-NSHDSACASA-N 0 1 336.229 3.581 20 10 EHCDMN CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000858498431 1136974020 /nfs/dbraw/zinc/97/40/20/1136974020.db2.gz OTUSVEHDDPICSU-GFCCVEGCSA-N 0 1 332.831 3.879 20 10 EHCDMN C[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000858595166 1136981746 /nfs/dbraw/zinc/98/17/46/1136981746.db2.gz LYFFUWWANUQRLM-RHSMWYFYSA-N 0 1 349.858 3.664 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000862331148 1137138261 /nfs/dbraw/zinc/13/82/61/1137138261.db2.gz GUPVOZHKLCAQGM-CYBMUJFWSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000862331148 1137138263 /nfs/dbraw/zinc/13/82/63/1137138263.db2.gz GUPVOZHKLCAQGM-CYBMUJFWSA-N 0 1 340.261 3.546 20 10 EHCDMN COCC[C@@H]1CCCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862332248 1137138329 /nfs/dbraw/zinc/13/83/29/1137138329.db2.gz ILVJQYPAYCXJQW-ZDUSSCGKSA-N 0 1 342.277 3.793 20 10 EHCDMN COCC[C@@H]1CCCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862332248 1137138331 /nfs/dbraw/zinc/13/83/31/1137138331.db2.gz ILVJQYPAYCXJQW-ZDUSSCGKSA-N 0 1 342.277 3.793 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000862359030 1137140083 /nfs/dbraw/zinc/14/00/83/1137140083.db2.gz ATDZGJIWZGGGRL-UHFFFAOYSA-N 0 1 340.261 3.547 20 10 EHCDMN CC(=O)Nc1cccc2c1CCN(Cc1cc(Cl)c(C)cc1O)C2 ZINC000824605316 1137144723 /nfs/dbraw/zinc/14/47/23/1137144723.db2.gz HTEUMKYEJWDUJC-UHFFFAOYSA-N 0 1 344.842 3.871 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824695770 1137148796 /nfs/dbraw/zinc/14/87/96/1137148796.db2.gz CMKOYSFRCFEWPG-APHBMKBZSA-N 0 1 327.827 3.700 20 10 EHCDMN CCn1ccnc1[C@@H](C)NCc1cc(Br)cc(C)c1O ZINC000825006170 1137160036 /nfs/dbraw/zinc/16/00/36/1137160036.db2.gz YYKSLNIGMJHPHG-LLVKDONJSA-N 0 1 338.249 3.530 20 10 EHCDMN CC1(C)CCN(Cc2cc(-c3ccccc3)ccc2O)CC[S@@]1=O ZINC000825023656 1137162294 /nfs/dbraw/zinc/16/22/94/1137162294.db2.gz FZQODFRAXFBAQC-DEOSSOPVSA-N 0 1 343.492 3.792 20 10 EHCDMN C[N@@H+](Cc1cccs1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299586 1137268557 /nfs/dbraw/zinc/26/85/57/1137268557.db2.gz BDWHPFFTUFGECN-UHFFFAOYSA-N 0 1 330.222 3.987 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000808430732 1137290765 /nfs/dbraw/zinc/29/07/65/1137290765.db2.gz YMSZQQUSYGYNJY-OAHLLOKOSA-N 0 1 326.223 3.912 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c(Cl)c1 ZINC000865668067 1137303017 /nfs/dbraw/zinc/30/30/17/1137303017.db2.gz FHTVYQYOSXJBQP-UHFFFAOYSA-N 0 1 347.842 3.863 20 10 EHCDMN COc1cc2c(c(C[NH2+]Cc3cc(Cl)ccc3[O-])c1)O[C@H](C)C2 ZINC000846058469 1137327676 /nfs/dbraw/zinc/32/76/76/1137327676.db2.gz PIVHXEDKKLRTCY-LLVKDONJSA-N 0 1 333.815 3.667 20 10 EHCDMN CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000846055839 1137330820 /nfs/dbraw/zinc/33/08/20/1137330820.db2.gz QAPXYOXEGJUADL-DGCLKSJQSA-N 0 1 347.789 3.502 20 10 EHCDMN COc1cccc([C@@H](C)N[C@@H](C)c2nccn2-c2ccccc2)c1O ZINC000846172944 1137337995 /nfs/dbraw/zinc/33/79/95/1137337995.db2.gz PRVREMJPQKCEAK-CABCVRRESA-N 0 1 337.423 3.998 20 10 EHCDMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866500473 1137359197 /nfs/dbraw/zinc/35/91/97/1137359197.db2.gz TYKCVGAZJBKEKK-WDBKCZKBSA-N 0 1 348.796 3.778 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000866613059 1137369401 /nfs/dbraw/zinc/36/94/01/1137369401.db2.gz FDZWUQSRGRUQEU-GXFFZTMASA-N 0 1 338.249 3.690 20 10 EHCDMN CCN(C)c1ccc([C@@H](C)NCc2cccc3c2OCCO3)cc1 ZINC000772983355 1137410781 /nfs/dbraw/zinc/41/07/81/1137410781.db2.gz LJOKRJCSILKPMS-OAHLLOKOSA-N 0 1 326.440 3.765 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001204079821 1137528078 /nfs/dbraw/zinc/52/80/78/1137528078.db2.gz QJVMRRALHPQQOE-HNNXBMFYSA-N 0 1 340.261 3.594 20 10 EHCDMN COc1ccc(CNCc2c(C)cccc2F)cc1Cn1cccn1 ZINC000873063404 1137589190 /nfs/dbraw/zinc/58/91/90/1137589190.db2.gz SVNMETFBYDFXEH-UHFFFAOYSA-N 0 1 339.414 3.677 20 10 EHCDMN CC(C)(C[NH2+]Cc1ccc(Br)cc1[O-])C(F)(F)F ZINC000825780150 1137632176 /nfs/dbraw/zinc/63/21/76/1137632176.db2.gz VEAWUCVOJMKXIG-UHFFFAOYSA-N 0 1 326.156 3.833 20 10 EHCDMN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nc(C)cs1 ZINC000877025600 1137667981 /nfs/dbraw/zinc/66/79/81/1137667981.db2.gz PJOFVINYTYDCAD-GOSISDBHSA-N 0 1 345.512 3.654 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877673766 1137685380 /nfs/dbraw/zinc/68/53/80/1137685380.db2.gz RECFUFAJWAVDNX-YOEHRIQHSA-N 0 1 335.806 3.883 20 10 EHCDMN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(F)c(F)c1O ZINC000877854882 1137693507 /nfs/dbraw/zinc/69/35/07/1137693507.db2.gz OWGFJOYNPOLMSM-OAHLLOKOSA-N 0 1 338.741 3.910 20 10 EHCDMN CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(F)c(F)c1O ZINC000877854881 1137693592 /nfs/dbraw/zinc/69/35/92/1137693592.db2.gz OWGFJOYNPOLMSM-HNNXBMFYSA-N 0 1 338.741 3.910 20 10 EHCDMN CCOc1ccc(O)c(CN(C)Cc2ccc(Br)o2)c1 ZINC000130703130 1137841091 /nfs/dbraw/zinc/84/10/91/1137841091.db2.gz BLFIWWUOMPKODB-UHFFFAOYSA-N 0 1 340.217 3.778 20 10 EHCDMN CC(C)C(=O)Nc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000264940733 1138681429 /nfs/dbraw/zinc/68/14/29/1138681429.db2.gz GIKXPMTUPTWBGT-UHFFFAOYSA-N 0 1 332.831 3.930 20 10 EHCDMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180678322 1139855427 /nfs/dbraw/zinc/85/54/27/1139855427.db2.gz QIHDNHWLPGHADR-VERVWZFWSA-N 0 1 337.872 3.976 20 10 EHCDMN Cc1noc(C)c1C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000181014099 1139879315 /nfs/dbraw/zinc/87/93/15/1139879315.db2.gz QPDJJIRHGXHBOT-QMMMGPOBSA-N 0 1 325.206 3.610 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H](C)c2nccs2)c1[O-] ZINC000183994390 1140072571 /nfs/dbraw/zinc/07/25/71/1140072571.db2.gz HGFNHGDQELPTDZ-SNVBAGLBSA-N 0 1 338.860 3.940 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000184855545 1140122853 /nfs/dbraw/zinc/12/28/53/1140122853.db2.gz CSBUVUONEKROMD-BDJLRTHQSA-N 0 1 336.229 3.539 20 10 EHCDMN COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185825747 1140172034 /nfs/dbraw/zinc/17/20/34/1140172034.db2.gz HSSWMBVZAGVOAJ-SJKOYZFVSA-N 0 1 335.831 3.829 20 10 EHCDMN COc1cccc(CNCc2cc(F)ccc2Br)c1O ZINC000038038973 213195610 /nfs/dbraw/zinc/19/56/10/213195610.db2.gz SZOZOIVYRJYSSM-UHFFFAOYSA-N 0 1 340.192 3.592 20 10 EHCDMN C[C@@H](N[C@H](C)c1cc(Br)c(F)cc1O)c1csnn1 ZINC000840886177 1027467073 /nfs/dbraw/zinc/46/70/73/1027467073.db2.gz QPGBHJWJWRASNY-RNFRBKRXSA-N 0 1 346.225 3.557 20 10 EHCDMN C[C@@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)[C@H](C)CO1 ZINC001204432512 1015566230 /nfs/dbraw/zinc/56/62/30/1015566230.db2.gz TWNNAJFRJWPXPJ-HZPDHXFCSA-N 0 1 330.497 3.994 20 10 EHCDMN C[C@@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001594346012 999310903 /nfs/dbraw/zinc/31/09/03/999310903.db2.gz KQAADAMZSOMEGY-OLZOCXBDSA-N 0 1 325.836 3.759 20 10 EHCDMN COc1ccc(CNCc2ccc(N(C)C)cc2)c(Cl)c1OC ZINC000106366587 1016471054 /nfs/dbraw/zinc/47/10/54/1016471054.db2.gz GVRROVGCWVIEBM-UHFFFAOYSA-N 0 1 334.847 3.713 20 10 EHCDMN COc1cc(CN2CCO[C@H](c3ccccc3C)C2)c(O)cc1C ZINC000160290927 1017056626 /nfs/dbraw/zinc/05/66/26/1017056626.db2.gz IPZLXVOJUBGQNC-FQEVSTJZSA-N 0 1 327.424 3.591 20 10 EHCDMN CNC(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000122483073 1017911887 /nfs/dbraw/zinc/91/18/87/1017911887.db2.gz CRVAIJSWJNOFJB-UHFFFAOYSA-N 0 1 339.222 3.979 20 10 EHCDMN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O ZINC000148639938 1032842911 /nfs/dbraw/zinc/84/29/11/1032842911.db2.gz RXCXWFIJUGDUBK-UHFFFAOYSA-N 0 1 332.208 3.808 20 10 EHCDMN Oc1ccccc1CN(Cc1ccc(Cl)nc1)C[C@@H]1CCCO1 ZINC000072629255 1021012333 /nfs/dbraw/zinc/01/23/33/1021012333.db2.gz OMEHCPOGHGCMRB-INIZCTEOSA-N 0 1 332.831 3.622 20 10 EHCDMN COc1ccc(N2CCN(C[C@]3(C)CC3(Cl)Cl)CC2)cc1F ZINC000828031356 1021478995 /nfs/dbraw/zinc/47/89/95/1021478995.db2.gz NBSXKQIKLBUKBW-HNNXBMFYSA-N 0 1 347.261 3.540 20 10 EHCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1nnc(C(C)C)s1 ZINC000894940819 1022276866 /nfs/dbraw/zinc/27/68/66/1022276866.db2.gz WMEPNZAEOYNCBO-AWEZNQCLSA-N 0 1 332.517 3.757 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000157651103 1024991142 /nfs/dbraw/zinc/99/11/42/1024991142.db2.gz RBPGUFKWAFXRQL-HICWGWBUSA-N 0 1 340.261 3.763 20 10 EHCDMN CC(C)CN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435631666 1025049143 /nfs/dbraw/zinc/04/91/43/1025049143.db2.gz GJEXPSHMLRWBSC-UHFFFAOYSA-N 0 1 341.499 3.522 20 10 EHCDMN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC000897044397 1026262007 /nfs/dbraw/zinc/26/20/07/1026262007.db2.gz OIBWXDDEISNSEM-AAEUAGOBSA-N 0 1 335.835 3.725 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])[C@H](O)C(C)C ZINC000840882143 1027275610 /nfs/dbraw/zinc/27/56/10/1027275610.db2.gz MNYKFMDNYFLHJB-RIEGTJTDSA-N 0 1 330.266 3.601 20 10 EHCDMN CC[N@H+](CCCN(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708147005 1028177622 /nfs/dbraw/zinc/17/76/22/1028177622.db2.gz VWSCENUJASJKIY-UHFFFAOYSA-N 0 1 349.700 3.582 20 10 EHCDMN CC[N@@H+](CCCN(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708147005 1028177628 /nfs/dbraw/zinc/17/76/28/1028177628.db2.gz VWSCENUJASJKIY-UHFFFAOYSA-N 0 1 349.700 3.582 20 10 EHCDMN COc1ccc(O)c(CN2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000271751989 1029152219 /nfs/dbraw/zinc/15/22/19/1029152219.db2.gz VSAVNNPTXWUFGX-GOSISDBHSA-N 0 1 337.423 3.625 20 10 EHCDMN CC[C@H](NCc1ccn(-c2ccc(OC)cc2)n1)c1ccccc1O ZINC000155662837 1029601985 /nfs/dbraw/zinc/60/19/85/1029601985.db2.gz XQKIXYYYLKXTPG-IBGZPJMESA-N 0 1 337.423 3.827 20 10 EHCDMN COc1c(O)c(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278225467 1029730078 /nfs/dbraw/zinc/73/00/78/1029730078.db2.gz MAMDTPZXQSMHPI-LLVKDONJSA-N 0 1 334.347 3.641 20 10 EHCDMN COc1c([O-])c(C[N@H+](C)[C@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278225467 1029730087 /nfs/dbraw/zinc/73/00/87/1029730087.db2.gz MAMDTPZXQSMHPI-LLVKDONJSA-N 0 1 334.347 3.641 20 10 EHCDMN 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EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001203581865 1133888623 /nfs/dbraw/zinc/88/86/23/1133888623.db2.gz BDKSIMKTRZKYNS-ZDUSSCGKSA-N 0 1 338.181 3.699 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C(F)(F)F)c1[O-] ZINC000788671668 1134159639 /nfs/dbraw/zinc/15/96/39/1134159639.db2.gz YMANOSJMYKIDBI-ZANVPECISA-N 0 1 325.334 3.862 20 10 EHCDMN C[C@@H](O)[C@@](C)(C[NH2+]Cc1c([O-])cccc1Cl)Cc1ccccc1 ZINC000791005078 1134492257 /nfs/dbraw/zinc/49/22/57/1134492257.db2.gz WIZKVBFACUYPSL-AUUYWEPGSA-N 0 1 333.859 3.765 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000792167558 1134661038 /nfs/dbraw/zinc/66/10/38/1134661038.db2.gz WBUCPJHTRTUGDV-UHFFFAOYSA-N 0 1 334.822 3.897 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000792167572 1134661342 /nfs/dbraw/zinc/66/13/42/1134661342.db2.gz WJPGSTZNVVVWMY-CYBMUJFWSA-N 0 1 339.794 3.959 20 10 EHCDMN COC(=O)[C@H](c1ccccc1)N(C)Cc1c(O)ccc(Cl)c1F ZINC000792166866 1134661575 /nfs/dbraw/zinc/66/15/75/1134661575.db2.gz UNWOJVBHCOHXRS-INIZCTEOSA-N 0 1 337.778 3.531 20 10 EHCDMN CCOc1ccc(CN2CCO[C@H](c3ccc(CC)cc3)C2)c(O)c1 ZINC000792186518 1134665167 /nfs/dbraw/zinc/66/51/67/1134665167.db2.gz FMUZNFVWEQDRHU-NRFANRHFSA-N 0 1 341.451 3.927 20 10 EHCDMN CC[C@H]([NH2+]CCCN1CCCCCC1=O)c1cc(Cl)ccc1[O-] ZINC000775482939 1134924833 /nfs/dbraw/zinc/92/48/33/1134924833.db2.gz HVXJCSIJJRNQQJ-INIZCTEOSA-N 0 1 338.879 3.879 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000775486372 1134928851 /nfs/dbraw/zinc/92/88/51/1134928851.db2.gz FSPUZHSDDLPXCJ-QGZVFWFLSA-N 0 1 346.858 3.988 20 10 EHCDMN CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775490813 1134938078 /nfs/dbraw/zinc/93/80/78/1134938078.db2.gz DNBHJKZGCAXJBN-QGZVFWFLSA-N 0 1 346.858 3.745 20 10 EHCDMN CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775496274 1134950754 /nfs/dbraw/zinc/95/07/54/1134950754.db2.gz FMEYYAGFQIBJRL-CXAGYDPISA-N 0 1 346.858 3.791 20 10 EHCDMN CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000775499613 1134961187 /nfs/dbraw/zinc/96/11/87/1134961187.db2.gz KNVZVMUAWQTCDO-CQSZACIVSA-N 0 1 332.822 3.816 20 10 EHCDMN CC[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775500729 1134967356 /nfs/dbraw/zinc/96/73/56/1134967356.db2.gz XTGQROPYKUYQOX-ZDUSSCGKSA-N 0 1 328.840 3.611 20 10 EHCDMN CC[C@@H]([NH2+]CC1(CCO)CCC1)c1cc(Br)ccc1[O-] ZINC000775521916 1134998310 /nfs/dbraw/zinc/99/83/10/1134998310.db2.gz DVAGDEZQPLONTQ-CQSZACIVSA-N 0 1 342.277 3.748 20 10 EHCDMN CC1(CNC(=O)c2cc(O)c(O)c(Cl)c2)CCC(F)(F)CC1 ZINC001193633608 1135162437 /nfs/dbraw/zinc/16/24/37/1135162437.db2.gz BLVKURBKPCGDQU-UHFFFAOYSA-N 0 1 333.762 3.697 20 10 EHCDMN CS[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805159441 1135240237 /nfs/dbraw/zinc/24/02/37/1135240237.db2.gz NCCSUTNHPCEMLI-WDEREUQCSA-N 0 1 349.283 3.782 20 10 EHCDMN CC[C@@H](CSC)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805258091 1135253365 /nfs/dbraw/zinc/25/33/65/1135253365.db2.gz CSSKOMXYHREXQO-JTQLQIEISA-N 0 1 337.272 3.640 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000775648526 1135407086 /nfs/dbraw/zinc/40/70/86/1135407086.db2.gz AUKSQZXPJKDZQH-MRXNPFEDSA-N 0 1 339.769 3.897 20 10 EHCDMN O=S(=O)(Nc1cccc(O)c1O)c1ccc2cc(Cl)ccc2c1 ZINC001196434375 1135555994 /nfs/dbraw/zinc/55/59/94/1135555994.db2.gz AZXMPUIMQDPXCQ-UHFFFAOYSA-N 0 1 349.795 3.705 20 10 EHCDMN Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc(C)c1F ZINC000808115071 1135618830 /nfs/dbraw/zinc/61/88/30/1135618830.db2.gz NCMMERAGMHRWEL-UHFFFAOYSA-N 0 1 347.770 3.741 20 10 EHCDMN Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(C)s1 ZINC000808113548 1135618888 /nfs/dbraw/zinc/61/88/88/1135618888.db2.gz CSXACECHELGVFA-UHFFFAOYSA-N 0 1 335.809 3.664 20 10 EHCDMN CCCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808115872 1135619709 /nfs/dbraw/zinc/61/97/09/1135619709.db2.gz WKOQLZUHKKONNO-UHFFFAOYSA-N 0 1 343.807 3.938 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000808430731 1135674524 /nfs/dbraw/zinc/67/45/24/1135674524.db2.gz YMSZQQUSYGYNJY-HNNXBMFYSA-N 0 1 326.223 3.912 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)NCc2nncn2-c2ccccc2)c1O ZINC000808675931 1135714969 /nfs/dbraw/zinc/71/49/69/1135714969.db2.gz XTDLJOFBOKPZBE-ZDUSSCGKSA-N 0 1 342.830 3.786 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc2cccnc2c1 ZINC000809713684 1135876437 /nfs/dbraw/zinc/87/64/37/1135876437.db2.gz XSMOJSKIQURNCX-UHFFFAOYSA-N 0 1 343.224 3.993 20 10 EHCDMN Cc1noc([C@@H]2CCCCN2Cc2c(O)ccc(Cl)c2F)n1 ZINC000809718897 1135878254 /nfs/dbraw/zinc/87/82/54/1135878254.db2.gz RFPZXOQPBLVOSE-LBPRGKRZSA-N 0 1 325.771 3.603 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758108 1135888046 /nfs/dbraw/zinc/88/80/46/1135888046.db2.gz COJSZEZGXSJNSK-CHWSQXEVSA-N 0 1 327.827 3.823 20 10 EHCDMN CC[C@@H]([NH2+]CCN1CCSCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219078 1135938919 /nfs/dbraw/zinc/93/89/19/1135938919.db2.gz ZNBNUCNFBYYDHN-CQSZACIVSA-N 0 1 348.434 3.501 20 10 EHCDMN CC[C@H]([NH2+][C@H](CCO)CSC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220094 1135939438 /nfs/dbraw/zinc/93/94/38/1135939438.db2.gz PHJSTHVABPTHMZ-YPMHNXCESA-N 0 1 337.407 3.566 20 10 EHCDMN COc1cc(F)cc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000776253563 1136102082 /nfs/dbraw/zinc/10/20/82/1136102082.db2.gz XWJVWSFDGPVDSP-UHFFFAOYSA-N 0 1 340.192 3.592 20 10 EHCDMN COc1ccc(N2CC[C@H](NCc3ncc(C(C)(C)C)s3)C2)cc1 ZINC000850346585 1136238314 /nfs/dbraw/zinc/23/83/14/1136238314.db2.gz HOVRVWBIAHDMNL-AWEZNQCLSA-N 0 1 345.512 3.818 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000850494789 1136270915 /nfs/dbraw/zinc/27/09/15/1136270915.db2.gz RYGYRGWBKKIVQL-YPMHNXCESA-N 0 1 341.293 3.678 20 10 EHCDMN C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000850541557 1136282666 /nfs/dbraw/zinc/28/26/66/1136282666.db2.gz XTXAOHULUHIGCT-QCPWZWHMSA-N 0 1 343.446 3.814 20 10 EHCDMN CC[C@H]([NH2+]CCc1cncc(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850550715 1136283624 /nfs/dbraw/zinc/28/36/24/1136283624.db2.gz PVKKWRYGNZIZKZ-HNNXBMFYSA-N 0 1 339.361 3.793 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1[O-] ZINC000850561144 1136285910 /nfs/dbraw/zinc/28/59/10/1136285910.db2.gz IEXNDJARMLGCDW-SCLBCKFNSA-N 0 1 341.879 3.572 20 10 EHCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1[O-] ZINC000850561143 1136285984 /nfs/dbraw/zinc/28/59/84/1136285984.db2.gz IEXNDJARMLGCDW-FZKQIMNGSA-N 0 1 341.879 3.572 20 10 EHCDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccn1 ZINC000813686305 1136356949 /nfs/dbraw/zinc/35/69/49/1136356949.db2.gz YHHDFLGBTXRCMV-VIFPVBQESA-N 0 1 325.195 3.514 20 10 EHCDMN COc1ccncc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000815629875 1136621527 /nfs/dbraw/zinc/62/15/27/1136621527.db2.gz PHIZEUOFKOYGEX-INIZCTEOSA-N 0 1 325.456 3.931 20 10 EHCDMN [O-]c1c(C[NH2+]CCN2CCc3ccccc3C2)ccc2ccccc21 ZINC000816532143 1136730690 /nfs/dbraw/zinc/73/06/90/1136730690.db2.gz SKGMWGRPOINJPE-UHFFFAOYSA-N 0 1 332.447 3.693 20 10 EHCDMN C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccc(F)cc1F ZINC000816550944 1136732985 /nfs/dbraw/zinc/73/29/85/1136732985.db2.gz IZRMZQIFFKKMJH-HXUWFJFHSA-N 0 1 343.373 3.821 20 10 EHCDMN Oc1c(C[N@H+]2CCSC3(CCOCC3)C2)ccc2ccccc21 ZINC000816570741 1136738757 /nfs/dbraw/zinc/73/87/57/1136738757.db2.gz FXLYIHBEBLWSIH-UHFFFAOYSA-N 0 1 329.465 3.643 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCSC3(CCOCC3)C2)ccc2ccccc21 ZINC000816570741 1136738759 /nfs/dbraw/zinc/73/87/59/1136738759.db2.gz FXLYIHBEBLWSIH-UHFFFAOYSA-N 0 1 329.465 3.643 20 10 EHCDMN [O-]c1c(C[N@H+]2CCSC3(CCOCC3)C2)ccc2ccccc21 ZINC000816570741 1136738760 /nfs/dbraw/zinc/73/87/60/1136738760.db2.gz FXLYIHBEBLWSIH-UHFFFAOYSA-N 0 1 329.465 3.643 20 10 EHCDMN CCOCc1cc(CNCc2cc(OC)ccc2F)ccc1OC ZINC000856801719 1136812710 /nfs/dbraw/zinc/81/27/10/1136812710.db2.gz WSYCHWTTYVSITR-UHFFFAOYSA-N 0 1 333.403 3.669 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000817881447 1136843283 /nfs/dbraw/zinc/84/32/83/1136843283.db2.gz SWNIJULNPFVASS-SJLPKXTDSA-N 0 1 332.488 3.998 20 10 EHCDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000817882045 1136843542 /nfs/dbraw/zinc/84/35/42/1136843542.db2.gz WKKAKBSGOXAXDF-KDOFPFPSSA-N 0 1 325.408 3.602 20 10 EHCDMN CC[C@H](NC[C@]1(COC)CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817975881 1136854478 /nfs/dbraw/zinc/85/44/78/1136854478.db2.gz ZEXNUDDSEDOFFO-BBRMVZONSA-N 0 1 347.286 3.508 20 10 EHCDMN CC[C@H]([NH2+]C[C@]1(COC)CCCN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817975881 1136854480 /nfs/dbraw/zinc/85/44/80/1136854480.db2.gz ZEXNUDDSEDOFFO-BBRMVZONSA-N 0 1 347.286 3.508 20 10 EHCDMN OCCOCc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000818233717 1136868284 /nfs/dbraw/zinc/86/82/84/1136868284.db2.gz NHLJUNQKVSFLSH-UHFFFAOYSA-N 0 1 342.222 3.820 20 10 EHCDMN CC(C)CCNC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000857758566 1136905651 /nfs/dbraw/zinc/90/56/51/1136905651.db2.gz KXFZSUMTUNPGOS-GOSISDBHSA-N 0 1 345.531 3.660 20 10 EHCDMN CC[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1O ZINC000857875554 1136916886 /nfs/dbraw/zinc/91/68/86/1136916886.db2.gz SNAODRLICQBEDB-AEFFLSMTSA-N 0 1 344.842 3.800 20 10 EHCDMN CN(C)c1ccc(CNCc2ccc(F)c(F)c2N(C)C)cc1F ZINC000858117054 1136941495 /nfs/dbraw/zinc/94/14/95/1136941495.db2.gz XYBNWTQONBXFCA-UHFFFAOYSA-N 0 1 337.389 3.526 20 10 EHCDMN Cc1cc(N(C)C)ccc1C[NH2+]Cc1c([O-])cccc1Br ZINC000858138585 1136942732 /nfs/dbraw/zinc/94/27/32/1136942732.db2.gz FMMYZRYQZHCQPW-UHFFFAOYSA-N 0 1 349.272 3.819 20 10 EHCDMN CC(C)[C@H]1C[C@H](C[NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000858173001 1136946446 /nfs/dbraw/zinc/94/64/46/1136946446.db2.gz NNRPILGNFRMUPX-MLGOLLRUSA-N 0 1 342.277 3.696 20 10 EHCDMN CCCCN(Cc1ccccc1O)C(=O)c1cc2[nH]cnc2cc1F ZINC000820089661 1136975993 /nfs/dbraw/zinc/97/59/93/1136975993.db2.gz BOCDQIVHZDHZNF-UHFFFAOYSA-N 0 1 341.386 3.850 20 10 EHCDMN CN(C)c1ccc(CN(Cc2cc(CO)ccc2F)C2CC2)cc1 ZINC000859081477 1137002459 /nfs/dbraw/zinc/00/24/59/1137002459.db2.gz FWHGHTHGMIPOOK-UHFFFAOYSA-N 0 1 328.431 3.549 20 10 EHCDMN CCCO[C@@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862242811 1137134425 /nfs/dbraw/zinc/13/44/25/1137134425.db2.gz RKSVFWLDCHOGBS-OAHLLOKOSA-N 0 1 326.431 3.812 20 10 EHCDMN CC[C@H](N[C@@H]1CCn2ccnc21)c1ccc(C(F)(F)F)cc1O ZINC000824533914 1137141712 /nfs/dbraw/zinc/14/17/12/1137141712.db2.gz SGWSDWOZWHDKAL-QWHCGFSZSA-N 0 1 325.334 3.793 20 10 EHCDMN COC(=O)c1coc(CNCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000862528508 1137147973 /nfs/dbraw/zinc/14/79/73/1137147973.db2.gz XPYFVHBIRASDTN-UHFFFAOYSA-N 0 1 338.407 3.764 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824695771 1137148697 /nfs/dbraw/zinc/14/86/97/1137148697.db2.gz CMKOYSFRCFEWPG-DAXOMENPSA-N 0 1 327.827 3.700 20 10 EHCDMN COc1cc(O)c(CNC2(c3c(F)cccc3F)CCC2)cc1OC ZINC000862550854 1137149852 /nfs/dbraw/zinc/14/98/52/1137149852.db2.gz NIGARBVFIOVLDL-UHFFFAOYSA-N 0 1 349.377 3.857 20 10 EHCDMN C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825246558 1137170371 /nfs/dbraw/zinc/17/03/71/1137170371.db2.gz DEVJYAPMRZBIPI-NSHDSACASA-N 0 1 336.229 3.581 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1Cl ZINC000825376477 1137175722 /nfs/dbraw/zinc/17/57/22/1137175722.db2.gz ZKWGHXPWTPCPDT-CQSZACIVSA-N 0 1 341.904 3.888 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000825391406 1137176308 /nfs/dbraw/zinc/17/63/08/1137176308.db2.gz URXUBFMESGLTRT-INIZCTEOSA-N 0 1 333.229 3.791 20 10 EHCDMN CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000825412401 1137177260 /nfs/dbraw/zinc/17/72/60/1137177260.db2.gz JDHDRJZWGKJKGF-HUUCEWRRSA-N 0 1 342.277 3.838 20 10 EHCDMN C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000863547901 1137191805 /nfs/dbraw/zinc/19/18/05/1137191805.db2.gz SCBXMHZEYKNMDS-WCABBAIRSA-N 0 1 347.684 3.599 20 10 EHCDMN C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](c2ccsc2)O1 ZINC000119946010 1137219745 /nfs/dbraw/zinc/21/97/45/1137219745.db2.gz RLPSNCPBPKFXSG-ORAYPTAESA-N 0 1 329.465 3.904 20 10 EHCDMN CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000794833433 1137273383 /nfs/dbraw/zinc/27/33/83/1137273383.db2.gz WJLQASRYWVHAPC-NEPJUHHUSA-N 0 1 329.282 3.536 20 10 EHCDMN Cc1cnc(NCc2cc(Br)ccc2O)c2[nH]ccc21 ZINC001171173875 1137282890 /nfs/dbraw/zinc/28/28/90/1137282890.db2.gz AERZIKJEWSMFDK-UHFFFAOYSA-N 0 1 332.201 3.952 20 10 EHCDMN Oc1cc2c(cc1O)CN(Cc1c[nH]c3nc(Cl)ccc13)CCC2 ZINC001144416299 1137288288 /nfs/dbraw/zinc/28/82/88/1137288288.db2.gz FFAYFZZBYLQHBJ-UHFFFAOYSA-N 0 1 343.814 3.576 20 10 EHCDMN Cc1ncc([C@H](C)[NH2+]Cc2c([O-])cccc2Br)s1 ZINC000865701814 1137305282 /nfs/dbraw/zinc/30/52/82/1137305282.db2.gz JKJOFXMNGLYPMJ-QMMMGPOBSA-N 0 1 327.247 3.770 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(Br)cc1[O-] ZINC000846206402 1137339387 /nfs/dbraw/zinc/33/93/87/1137339387.db2.gz YJBALXRPBUCXQU-WDEREUQCSA-N 0 1 328.250 3.620 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000866613058 1137369119 /nfs/dbraw/zinc/36/91/19/1137369119.db2.gz FDZWUQSRGRUQEU-GWCFXTLKSA-N 0 1 338.249 3.690 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)c1[O-] ZINC000846981753 1137380146 /nfs/dbraw/zinc/38/01/46/1137380146.db2.gz WFNYAVSGQZJNDJ-AWEZNQCLSA-N 0 1 344.842 3.941 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)c1[O-] ZINC000846981753 1137380148 /nfs/dbraw/zinc/38/01/48/1137380148.db2.gz WFNYAVSGQZJNDJ-AWEZNQCLSA-N 0 1 344.842 3.941 20 10 EHCDMN CCN(C)c1ccc([C@H](C)N[C@H](CO)c2ccccc2OC)cc1 ZINC000773013143 1137459447 /nfs/dbraw/zinc/45/94/47/1137459447.db2.gz XBUBVEZALFPJEV-HNAYVOBHSA-N 0 1 328.456 3.536 20 10 EHCDMN CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(F)c(F)c1[O-] ZINC000876769150 1137660833 /nfs/dbraw/zinc/66/08/33/1137660833.db2.gz PTCPEADJEPIPHJ-UHFFFAOYSA-N 0 1 348.393 3.748 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000825934091 1137670395 /nfs/dbraw/zinc/67/03/95/1137670395.db2.gz GRHCNLUBLZQMBO-UHFFFAOYSA-N 0 1 333.229 3.714 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000825934091 1137670396 /nfs/dbraw/zinc/67/03/96/1137670396.db2.gz GRHCNLUBLZQMBO-UHFFFAOYSA-N 0 1 333.229 3.714 20 10 EHCDMN C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825944728 1137671837 /nfs/dbraw/zinc/67/18/37/1137671837.db2.gz ZWJUVLJGWITUHZ-QLJPJBMISA-N 0 1 334.213 3.767 20 10 EHCDMN Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 ZINC000877617017 1137683180 /nfs/dbraw/zinc/68/31/80/1137683180.db2.gz QQOQUGNOOGGTAS-HOCLYGCPSA-N 0 1 334.460 3.578 20 10 EHCDMN C[C@H]1CC(=O)N(C)c2ccc(NCc3ccc(F)c(F)c3O)cc21 ZINC000877658650 1137684532 /nfs/dbraw/zinc/68/45/32/1137684532.db2.gz AMOFOWZSUWMGAS-JTQLQIEISA-N 0 1 332.350 3.753 20 10 EHCDMN Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)nc1Cl ZINC000878358250 1137712538 /nfs/dbraw/zinc/71/25/38/1137712538.db2.gz MWIRSRDVJYBTMU-OAHLLOKOSA-N 0 1 345.874 3.731 20 10 EHCDMN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879888463 1137762003 /nfs/dbraw/zinc/76/20/03/1137762003.db2.gz LKJQPVSOUUTLFO-LIRRHRJNSA-N 0 1 341.455 3.610 20 10 EHCDMN CC(C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109772993 1137897442 /nfs/dbraw/zinc/89/74/42/1137897442.db2.gz OGWZRGMNGXISFT-HNNXBMFYSA-N 0 1 326.440 3.975 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)c1cc(Cl)ccc1[O-] ZINC000886764531 1138135483 /nfs/dbraw/zinc/13/54/83/1138135483.db2.gz VMFBHKSXBPLNSU-XJOINEQPSA-N 0 1 339.863 3.813 20 10 EHCDMN CC[C@@](C)(NCc1cc(F)cc(C(C)=O)c1O)c1nc(C)cs1 ZINC000079471654 1138156213 /nfs/dbraw/zinc/15/62/13/1138156213.db2.gz NEGYYVFGJCVMTL-QGZVFWFLSA-N 0 1 336.432 3.914 20 10 EHCDMN CCCOc1ccc(CN[C@@H](COC)c2ccc(CC)o2)c(O)c1 ZINC000174481585 1139423503 /nfs/dbraw/zinc/42/35/03/1139423503.db2.gz GTROQAHDWNOWDC-KRWDZBQOSA-N 0 1 333.428 3.814 20 10 EHCDMN CCOc1cccc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000180282867 1139824413 /nfs/dbraw/zinc/82/44/13/1139824413.db2.gz KNDBHLHLTNCRRC-BSEYFRJRSA-N 0 1 347.480 3.721 20 10 EHCDMN COc1cc(O)c(CN[C@H](COCC(C)C)c2ccco2)cc1OC ZINC000181376597 1139902911 /nfs/dbraw/zinc/90/29/11/1139902911.db2.gz QCAKLMQWHNRLQH-OAHLLOKOSA-N 0 1 349.427 3.506 20 10 EHCDMN Cc1csc(CN[C@H](C)c2cc(Br)ccc2O)n1 ZINC000184954455 1140127909 /nfs/dbraw/zinc/12/79/09/1140127909.db2.gz ZWHVVRCCTGQOEC-SECBINFHSA-N 0 1 327.247 3.770 20 10 EHCDMN C[C@@H](NCc1nncn1-c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185000026 1140130490 /nfs/dbraw/zinc/13/04/90/1140130490.db2.gz OAMPOACZJBWPJC-OAHLLOKOSA-N 0 1 348.450 3.703 20 10 EHCDMN C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000185291118 1140143715 /nfs/dbraw/zinc/14/37/15/1140143715.db2.gz GWLZDVPZTMWYHO-SNVBAGLBSA-N 0 1 336.785 3.723 20 10 EHCDMN CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000185966285 1140179691 /nfs/dbraw/zinc/17/96/91/1140179691.db2.gz CFFVBJURBKLECF-LBPRGKRZSA-N 0 1 348.830 3.734 20 10 EHCDMN C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cc(Br)ccc1[O-] ZINC000186558590 1140209805 /nfs/dbraw/zinc/20/98/05/1140209805.db2.gz FWSKMOLVQUGPEN-ZWNOBZJWSA-N 0 1 340.217 3.522 20 10 EHCDMN CCN(CC)c1ccc(CNC(=O)c2sccc2CN(C)C)cc1 ZINC000268125112 1140886661 /nfs/dbraw/zinc/88/66/61/1140886661.db2.gz OFDJZAVFHCXOSK-UHFFFAOYSA-N 0 1 345.512 3.586 20 10 EHCDMN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1N1CCCCC1 ZINC001605166079 972867561 /nfs/dbraw/zinc/86/75/61/972867561.db2.gz VWVFFDQQODWHKV-SJLPKXTDSA-N 0 1 330.472 3.528 20 10 EHCDMN Oc1ccccc1CN(Cc1cnc(C2CC2)s1)C[C@@H]1CCCO1 ZINC000160203276 1014356677 /nfs/dbraw/zinc/35/66/77/1014356677.db2.gz RMTBEXNUQOOUAP-INIZCTEOSA-N 0 1 344.480 3.907 20 10 EHCDMN C[C@@H](Cc1ccsc1)[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001592906376 979844353 /nfs/dbraw/zinc/84/43/53/979844353.db2.gz MEWLDZVBSIZZOL-NSHDSACASA-N 0 1 339.844 3.625 20 10 EHCDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1cc(Cl)c(C)cc1O)CC1CC1 ZINC001594788183 981833760 /nfs/dbraw/zinc/83/37/60/981833760.db2.gz UFKAHNVMGPBHHX-KRWDZBQOSA-N 0 1 325.836 3.819 20 10 EHCDMN O=C1COc2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2N1 ZINC000120356914 1015059326 /nfs/dbraw/zinc/05/93/26/1015059326.db2.gz DVOHVXWHKQWLOF-UHFFFAOYSA-N 0 1 339.178 3.642 20 10 EHCDMN CC1=CCC[C@H](C)[C@@H]1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001594113640 998227748 /nfs/dbraw/zinc/22/77/48/998227748.db2.gz OQHYMBKQOBYSFS-XJKSGUPXSA-N 0 1 337.847 3.925 20 10 EHCDMN CC(C)c1nnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000756132367 1016976862 /nfs/dbraw/zinc/97/68/62/1016976862.db2.gz MWKDAOMKLXNOQG-UHFFFAOYSA-N 0 1 332.256 3.964 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1[O-] ZINC000528658372 1032542339 /nfs/dbraw/zinc/54/23/39/1032542339.db2.gz MQFQWUBDHCLHQH-GOSISDBHSA-N 0 1 328.387 3.760 20 10 EHCDMN NC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)cc1 ZINC000729267043 1019254958 /nfs/dbraw/zinc/25/49/58/1019254958.db2.gz WQXQTDUZIAXZLI-UHFFFAOYSA-N 0 1 338.451 3.826 20 10 EHCDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])[C@@H]1CCCCO1 ZINC000758498333 1019330657 /nfs/dbraw/zinc/33/06/57/1019330657.db2.gz KRJMAQUDMNDVAU-HNNXBMFYSA-N 0 1 342.277 3.840 20 10 EHCDMN CCOCc1nc([C@H](C)N[C@H](CC)c2cccc(Cl)c2O)no1 ZINC000290205970 1021960712 /nfs/dbraw/zinc/96/07/12/1021960712.db2.gz PMIDDTYWKKCCRS-GXFFZTMASA-N 0 1 339.823 3.767 20 10 EHCDMN COc1cc(OC)c(N[C@@H](C)c2ccc(F)c(F)c2O)cc1F ZINC000276854530 1023223911 /nfs/dbraw/zinc/22/39/11/1023223911.db2.gz BKYRYQQMTFEWDV-QMMMGPOBSA-N 0 1 327.302 4.000 20 10 EHCDMN C[C@H]([NH2+]Cc1nnc(C(C)(C)C)s1)c1ccc(F)c(F)c1[O-] ZINC000276951712 1023460256 /nfs/dbraw/zinc/46/02/56/1023460256.db2.gz QTRJTAUPVJISPX-QMMMGPOBSA-N 0 1 327.400 3.670 20 10 EHCDMN Cc1nc(C)c(CC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000897768582 1033157629 /nfs/dbraw/zinc/15/76/29/1033157629.db2.gz CZVJOZBEFFMOSJ-UHFFFAOYSA-N 0 1 345.251 3.631 20 10 EHCDMN CC(C)n1nccc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000280922845 1024437673 /nfs/dbraw/zinc/43/76/73/1024437673.db2.gz PSYZBSLHGIVBGN-UHFFFAOYSA-N 0 1 326.488 3.990 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)c1[O-] ZINC000157834584 1025179489 /nfs/dbraw/zinc/17/94/89/1025179489.db2.gz HZSFJMDAJRAWJG-NSHDSACASA-N 0 1 347.434 3.845 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000273352954 1027389425 /nfs/dbraw/zinc/38/94/25/1027389425.db2.gz CBKIDSNDULXXSB-UTUOFQBUSA-N 0 1 328.250 3.620 20 10 EHCDMN CC(C)c1nnc([C@@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000273494808 1027457902 /nfs/dbraw/zinc/45/79/02/1027457902.db2.gz OZCFWYVZSIMGLT-CHWSQXEVSA-N 0 1 328.460 3.924 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1[O-] ZINC000273500950 1027462370 /nfs/dbraw/zinc/46/23/70/1027462370.db2.gz QCBOZNIIJVSEAG-ZANVPECISA-N 0 1 336.233 3.606 20 10 EHCDMN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000273609617 1027519075 /nfs/dbraw/zinc/51/90/75/1027519075.db2.gz VJMRZAPNXNVCEZ-JTQLQIEISA-N 0 1 336.775 3.813 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccccc2Cl)c(Cl)c1 ZINC000840900328 1027633040 /nfs/dbraw/zinc/63/30/40/1027633040.db2.gz QGDKVDKJQCEIEN-INIZCTEOSA-N 0 1 326.223 3.831 20 10 EHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000711500864 1028708965 /nfs/dbraw/zinc/70/89/65/1028708965.db2.gz YMIOZTPEYCEHRH-SECBINFHSA-N 0 1 336.632 3.990 20 10 EHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cc(C(=O)OC)co2)cc1 ZINC000278178438 1029526867 /nfs/dbraw/zinc/52/68/67/1029526867.db2.gz DBEWSURHHVNFBK-AWEZNQCLSA-N 0 1 330.428 3.763 20 10 EHCDMN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(Br)cc1[O-] ZINC000527926418 1031420147 /nfs/dbraw/zinc/42/01/47/1031420147.db2.gz KXRHCEGGPJTZCG-RYUDHWBXSA-N 0 1 328.250 3.622 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)C2(C)C)c1O ZINC000323929860 1033980875 /nfs/dbraw/zinc/98/08/75/1033980875.db2.gz QGMGYOSIWZDGGZ-CYBMUJFWSA-N 0 1 333.325 3.897 20 10 EHCDMN CN(C)c1ccc(CNCc2cnc(CC(F)(F)F)s2)cc1 ZINC000892475151 1034554238 /nfs/dbraw/zinc/55/42/38/1034554238.db2.gz FABRTDVBDVLPFD-UHFFFAOYSA-N 0 1 329.391 3.604 20 10 EHCDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179705837 1034578772 /nfs/dbraw/zinc/57/87/72/1034578772.db2.gz HIKNBSFUDHDJGT-CQSZACIVSA-N 0 1 335.791 3.629 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C(C)C)C2CCOCC2)c1[O-] ZINC000177268326 1034927156 /nfs/dbraw/zinc/92/71/56/1034927156.db2.gz CCKXRHKKTIVQNP-UHFFFAOYSA-N 0 1 325.836 3.638 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000185686523 1035511120 /nfs/dbraw/zinc/51/11/20/1035511120.db2.gz BAAJTGSWTZOOMR-YPMHNXCESA-N 0 1 335.810 3.509 20 10 EHCDMN C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)Cc1ccccc1O ZINC000111235461 1037730919 /nfs/dbraw/zinc/73/09/19/1037730919.db2.gz QCYCUUXABADUIZ-GOEBONIOSA-N 0 1 344.480 3.638 20 10 EHCDMN Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)[nH]1 ZINC000271264162 1037772491 /nfs/dbraw/zinc/77/24/91/1037772491.db2.gz HYBVPQZLXKPPPW-JTQLQIEISA-N 0 1 341.242 3.505 20 10 EHCDMN Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000271264162 1037772511 /nfs/dbraw/zinc/77/25/11/1037772511.db2.gz HYBVPQZLXKPPPW-JTQLQIEISA-N 0 1 341.242 3.505 20 10 EHCDMN Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000271264162 1037772525 /nfs/dbraw/zinc/77/25/25/1037772525.db2.gz HYBVPQZLXKPPPW-JTQLQIEISA-N 0 1 341.242 3.505 20 10 EHCDMN Cc1nc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n[nH]1 ZINC000271264162 1037772544 /nfs/dbraw/zinc/77/25/44/1037772544.db2.gz HYBVPQZLXKPPPW-JTQLQIEISA-N 0 1 341.242 3.505 20 10 EHCDMN Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n[nH]1 ZINC000271264162 1037772562 /nfs/dbraw/zinc/77/25/62/1037772562.db2.gz HYBVPQZLXKPPPW-JTQLQIEISA-N 0 1 341.242 3.505 20 10 EHCDMN C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(Br)cc1[O-] ZINC000756364007 1037960554 /nfs/dbraw/zinc/96/05/54/1037960554.db2.gz RGESHOZMJGLJOL-GFCCVEGCSA-N 0 1 341.293 3.680 20 10 EHCDMN C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000756414194 1038637911 /nfs/dbraw/zinc/63/79/11/1038637911.db2.gz HZJFWQQKNYZATN-CHWSQXEVSA-N 0 1 341.293 3.680 20 10 EHCDMN C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc2ccccc2c1[O-] ZINC000363859360 1038704927 /nfs/dbraw/zinc/70/49/27/1038704927.db2.gz FRWOKOVSIUICLJ-OAHLLOKOSA-N 0 1 344.418 3.977 20 10 EHCDMN CC(C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)c1nccs1 ZINC000908211348 1040355337 /nfs/dbraw/zinc/35/53/37/1040355337.db2.gz HZOBQSDBZYYKQH-UHFFFAOYSA-N 0 1 345.251 3.750 20 10 EHCDMN COCCCOc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000125812151 1042756731 /nfs/dbraw/zinc/75/67/31/1042756731.db2.gz PPONWAJTPYNICI-UHFFFAOYSA-N 0 1 335.831 3.751 20 10 EHCDMN CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000842916187 1127659267 /nfs/dbraw/zinc/65/92/67/1127659267.db2.gz LTWYNJCBGZAHQI-LOWVWBTDSA-N 0 1 330.266 3.602 20 10 EHCDMN C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000186307468 1128384326 /nfs/dbraw/zinc/38/43/26/1128384326.db2.gz FGXVLACQXZDLPM-MRXNPFEDSA-N 0 1 348.446 3.555 20 10 EHCDMN CN1CCN(c2ccc(CNc3nccc4sccc43)cc2)CC1 ZINC000763408370 1122230034 /nfs/dbraw/zinc/23/00/34/1122230034.db2.gz NSVXAVODJYALEA-UHFFFAOYSA-N 0 1 338.480 3.660 20 10 EHCDMN COc1cc([O-])c(C[N@@H+]2CCC3(CCCC3)C2)c(Br)c1 ZINC001237072856 1125262733 /nfs/dbraw/zinc/26/27/33/1125262733.db2.gz LQXVZQSTVXSIKE-UHFFFAOYSA-N 0 1 340.261 3.929 20 10 EHCDMN COc1cc([O-])c(C[N@H+]2CCC3(CCCC3)C2)c(Br)c1 ZINC001237072856 1125262737 /nfs/dbraw/zinc/26/27/37/1125262737.db2.gz LQXVZQSTVXSIKE-UHFFFAOYSA-N 0 1 340.261 3.929 20 10 EHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000736072980 1131407697 /nfs/dbraw/zinc/40/76/97/1131407697.db2.gz YEWYWZXFJOKOCU-UHFFFAOYSA-N 0 1 348.450 3.805 20 10 EHCDMN Oc1ccc(Cl)cc1CNCc1nc(-c2ccncc2)cs1 ZINC000733331713 1131028399 /nfs/dbraw/zinc/02/83/99/1131028399.db2.gz QONPJJMOJGLTJC-UHFFFAOYSA-N 0 1 331.828 3.854 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000733331713 1131028407 /nfs/dbraw/zinc/02/84/07/1131028407.db2.gz QONPJJMOJGLTJC-UHFFFAOYSA-N 0 1 331.828 3.854 20 10 EHCDMN CCN(CC)c1ccc(CNCc2nc3cc(F)ccc3n2C)cc1 ZINC000736357707 1131418126 /nfs/dbraw/zinc/41/81/26/1131418126.db2.gz NWBGJWZBAHDFBF-UHFFFAOYSA-N 0 1 340.446 3.848 20 10 EHCDMN CCCOC1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC001173094477 1131951691 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ZINC000808090242 1135616636 /nfs/dbraw/zinc/61/66/36/1135616636.db2.gz VUQWTENWECDKLS-UHFFFAOYSA-N 0 1 328.155 3.923 20 10 EHCDMN COC(=O)c1ccc(F)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775835281 1135794500 /nfs/dbraw/zinc/79/45/00/1135794500.db2.gz SZTCPUHYQCWBCH-ZDUSSCGKSA-N 0 1 330.403 3.529 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1[O-] ZINC000775838389 1135796710 /nfs/dbraw/zinc/79/67/10/1135796710.db2.gz YAFNYXAMCSFFAZ-GFCCVEGCSA-N 0 1 330.403 3.651 20 10 EHCDMN CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CS1 ZINC000809713501 1135876269 /nfs/dbraw/zinc/87/62/69/1135876269.db2.gz RTBWALMJZREZKJ-TZMCWYRMSA-N 0 1 330.291 3.774 20 10 EHCDMN CCN(CC)c1ccc(CN(CCOC)Cc2cccnc2)cc1 ZINC000809740927 1135883928 /nfs/dbraw/zinc/88/39/28/1135883928.db2.gz GEJAEGRYARJSOR-UHFFFAOYSA-N 0 1 327.472 3.576 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758529 1135887640 /nfs/dbraw/zinc/88/76/40/1135887640.db2.gz PHJHLLVTOWBWSZ-STQMWFEESA-N 0 1 327.827 3.823 20 10 EHCDMN CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217392 1135939000 /nfs/dbraw/zinc/93/90/00/1135939000.db2.gz CLXFQYBLMRVJGN-SWLSCSKDSA-N 0 1 347.377 3.505 20 10 EHCDMN CC[C@H]([NH2+]CCOc1cccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217604 1135939042 /nfs/dbraw/zinc/93/90/42/1135939042.db2.gz IHGJSSILKZNOEY-HNNXBMFYSA-N 0 1 340.345 3.926 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223475 1135940430 /nfs/dbraw/zinc/94/04/30/1135940430.db2.gz LXIKQMVMTYPGFK-KNXALSJPSA-N 0 1 342.405 3.934 20 10 EHCDMN CC[C@@H]([NH2+]CCCc1nc(C)no1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225045 1135940584 /nfs/dbraw/zinc/94/05/84/1135940584.db2.gz RFFLIIQKLKPIAM-CYBMUJFWSA-N 0 1 343.349 3.776 20 10 EHCDMN CC[C@@H]([NH2+]Cc1ccc(OC)nc1OC)c1cc(Cl)ccc1[O-] ZINC000810260424 1135944663 /nfs/dbraw/zinc/94/46/63/1135944663.db2.gz KOUXEEHHJDUZEJ-CQSZACIVSA-N 0 1 336.819 3.699 20 10 EHCDMN CCN(CC)c1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000811521103 1136098021 /nfs/dbraw/zinc/09/80/21/1136098021.db2.gz ZLOSSFJOTMSFCV-GOSISDBHSA-N 0 1 332.879 3.830 20 10 EHCDMN CC1(C)CN(Cc2cc(Br)ccc2O)[C@@H]1[C@H]1CCCO1 ZINC000811511095 1136102339 /nfs/dbraw/zinc/10/23/39/1136102339.db2.gz UWKWDVPXJOTGJY-HUUCEWRRSA-N 0 1 340.261 3.544 20 10 EHCDMN Cc1ccc2c(c1)nc(CNCc1cc(Cl)c(C)cc1O)n2C ZINC000825537653 1136173914 /nfs/dbraw/zinc/17/39/14/1136173914.db2.gz ZYVUPGFAKSUBHB-UHFFFAOYSA-N 0 1 329.831 3.839 20 10 EHCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cncc(Br)c1 ZINC000850430942 1136257459 /nfs/dbraw/zinc/25/74/59/1136257459.db2.gz WQFZOMNCDCYWFK-NSHDSACASA-N 0 1 333.229 3.630 20 10 EHCDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000850435217 1136258712 /nfs/dbraw/zinc/25/87/12/1136258712.db2.gz JZOMGUWTTHCCDG-CQSZACIVSA-N 0 1 343.427 3.829 20 10 EHCDMN CC[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccc(C(F)(F)F)cc1O ZINC000850499427 1136272013 /nfs/dbraw/zinc/27/20/13/1136272013.db2.gz PHLVAGGWYQXBQZ-XDTLVQLUSA-N 0 1 340.349 3.749 20 10 EHCDMN COc1ccnc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)c1F ZINC000850536480 1136281632 /nfs/dbraw/zinc/28/16/32/1136281632.db2.gz GMLIURFIJZBHFI-LBPRGKRZSA-N 0 1 330.403 3.665 20 10 EHCDMN C[C@H]([NH2+]CC1SCCS1)c1ccc(Br)cc1[O-] ZINC000850560125 1136285889 /nfs/dbraw/zinc/28/58/89/1136285889.db2.gz IBFGIETYDRZTKP-QMMMGPOBSA-N 0 1 334.304 3.611 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]CCc2nn(C)c3ccccc23)cc1Cl ZINC000825542804 1136309183 /nfs/dbraw/zinc/30/91/83/1136309183.db2.gz ATCJOMUJPJMJCQ-UHFFFAOYSA-N 0 1 329.831 3.573 20 10 EHCDMN CN(CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccccc1O ZINC000109771754 1136339862 /nfs/dbraw/zinc/33/98/62/1136339862.db2.gz WDVDBGCJRGTAON-UHFFFAOYSA-N 0 1 340.467 3.651 20 10 EHCDMN CCN(C)c1ccc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000851707247 1136400231 /nfs/dbraw/zinc/40/02/31/1136400231.db2.gz YBKRGDLQIYBESR-ICSRJNTNSA-N 0 1 344.499 3.998 20 10 EHCDMN CC(C)(C)c1nc(CN2CCCc3cc(OC(F)F)ccc32)n[nH]1 ZINC000814625183 1136481539 /nfs/dbraw/zinc/48/15/39/1136481539.db2.gz GGTXXFHUTDXXLV-UHFFFAOYSA-N 0 1 336.386 3.656 20 10 EHCDMN COc1ccc(O)c([C@H](C)N[C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853240115 1136520813 /nfs/dbraw/zinc/52/08/13/1136520813.db2.gz GGWJCQSCQCGJED-KBXCAEBGSA-N 0 1 349.434 3.925 20 10 EHCDMN CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000853584511 1136546329 /nfs/dbraw/zinc/54/63/29/1136546329.db2.gz JSZZZPZCQXABKV-GOSISDBHSA-N 0 1 333.435 3.651 20 10 EHCDMN CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000853584511 1136546332 /nfs/dbraw/zinc/54/63/32/1136546332.db2.gz JSZZZPZCQXABKV-GOSISDBHSA-N 0 1 333.435 3.651 20 10 EHCDMN Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c(F)c1 ZINC000111995403 1136595319 /nfs/dbraw/zinc/59/53/19/1136595319.db2.gz ZPCALDCWDKTBID-UHFFFAOYSA-N 0 1 334.416 3.535 20 10 EHCDMN COCCOc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816536403 1136731224 /nfs/dbraw/zinc/73/12/24/1136731224.db2.gz VJTBFDXMQCIRPF-UHFFFAOYSA-N 0 1 337.419 3.860 20 10 EHCDMN C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000816559401 1136737067 /nfs/dbraw/zinc/73/70/67/1136737067.db2.gz JDXPUMIGGCHIFQ-FQEVSTJZSA-N 0 1 325.383 3.682 20 10 EHCDMN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816565381 1136737450 /nfs/dbraw/zinc/73/74/50/1136737450.db2.gz NFADQYBZZZYYHR-LBPRGKRZSA-N 0 1 343.826 3.596 20 10 EHCDMN CN(Cc1cccc([O-])c1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000816569863 1136738403 /nfs/dbraw/zinc/73/84/03/1136738403.db2.gz YNRKFKUBRMHJRS-UHFFFAOYSA-N 0 1 334.847 3.622 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000816571142 1136738814 /nfs/dbraw/zinc/73/88/14/1136738814.db2.gz SXYJAQBSZDTGCO-SFHVURJKSA-N 0 1 333.790 3.816 20 10 EHCDMN CCOC[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000113923146 1136757286 /nfs/dbraw/zinc/75/72/86/1136757286.db2.gz PBEGFMVZANPDAH-OAHLLOKOSA-N 0 1 329.440 3.803 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000817587787 1136826675 /nfs/dbraw/zinc/82/66/75/1136826675.db2.gz HTMIEDCFNWEPPG-DOMZBBRYSA-N 0 1 327.852 3.670 20 10 EHCDMN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(F)cc(F)c1O ZINC001136025499 1136841496 /nfs/dbraw/zinc/84/14/96/1136841496.db2.gz MOJVBPWCIGEDFY-UHFFFAOYSA-N 0 1 346.377 3.543 20 10 EHCDMN COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cc(F)ccc3[O-])C2)cc1 ZINC000818341821 1136872554 /nfs/dbraw/zinc/87/25/54/1136872554.db2.gz HFFYXAALOIJZKI-HUUCEWRRSA-N 0 1 344.430 3.717 20 10 EHCDMN Cc1cc(Cl)cc([C@@H](C)N[C@@H]2c3ccccc3CN(C)C2=O)c1O ZINC000857877430 1136917559 /nfs/dbraw/zinc/91/75/59/1136917559.db2.gz OETOZKOQMOLILJ-SJKOYZFVSA-N 0 1 344.842 3.718 20 10 EHCDMN CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000858484875 1136972152 /nfs/dbraw/zinc/97/21/52/1136972152.db2.gz DGWGBYKCAQGGAT-WCQYABFASA-N 0 1 330.266 3.602 20 10 EHCDMN COc1c(C)cccc1C[NH2+]Cc1c([O-])cccc1Br ZINC000858186319 1136947625 /nfs/dbraw/zinc/94/76/25/1136947625.db2.gz YCYICFIFNKSPQS-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN COc1c(C)cccc1CNCc1c(O)cccc1Br ZINC000858186319 1136947626 /nfs/dbraw/zinc/94/76/26/1136947626.db2.gz YCYICFIFNKSPQS-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN Cc1ncccc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858274348 1136954818 /nfs/dbraw/zinc/95/48/18/1136954818.db2.gz ZCXJVJCIDBSHRB-UHFFFAOYSA-N 0 1 340.427 3.578 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc2ccccc2c1[O-] ZINC000858478939 1136971628 /nfs/dbraw/zinc/97/16/28/1136971628.db2.gz FNCBTZZPSKIDTG-DZGCQCFKSA-N 0 1 334.410 3.926 20 10 EHCDMN CCC(CC)NC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000862023748 1137127378 /nfs/dbraw/zinc/12/73/78/1137127378.db2.gz KJHMTCBOXNNRJS-KRWDZBQOSA-N 0 1 345.531 3.802 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000862331149 1137138396 /nfs/dbraw/zinc/13/83/96/1137138396.db2.gz GUPVOZHKLCAQGM-ZDUSSCGKSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000862331149 1137138398 /nfs/dbraw/zinc/13/83/98/1137138398.db2.gz GUPVOZHKLCAQGM-ZDUSSCGKSA-N 0 1 340.261 3.546 20 10 EHCDMN Cc1c(Br)cncc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000824474366 1137138870 /nfs/dbraw/zinc/13/88/70/1137138870.db2.gz NOUGZIGTAFXJSM-UHFFFAOYSA-N 0 1 348.288 3.851 20 10 EHCDMN C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000824501197 1137142115 /nfs/dbraw/zinc/14/21/15/1137142115.db2.gz FUCMYHZXJDYEDY-LBPRGKRZSA-N 0 1 342.867 3.829 20 10 EHCDMN CO[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825131956 1137166934 /nfs/dbraw/zinc/16/69/34/1137166934.db2.gz VISIMKDOTLHHNW-MRXNPFEDSA-N 0 1 336.229 3.632 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]CCCc2nc3ccccc3n2C)cc1Cl ZINC000825429335 1137176178 /nfs/dbraw/zinc/17/61/78/1137176178.db2.gz KOTQLTOGXDCMKN-UHFFFAOYSA-N 0 1 343.858 3.963 20 10 EHCDMN O=C([O-])C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C1CCCC1 ZINC000864524219 1137232234 /nfs/dbraw/zinc/23/22/34/1137232234.db2.gz SJLQEPHRSYIMAP-NSHDSACASA-N 0 1 329.799 3.555 20 10 EHCDMN COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000846056333 1137327428 /nfs/dbraw/zinc/32/74/28/1137327428.db2.gz VJVLMEFXCDVLIW-LBPRGKRZSA-N 0 1 348.830 3.561 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000846055780 1137330894 /nfs/dbraw/zinc/33/08/94/1137330894.db2.gz NRCWEYHQBUGFFJ-UHFFFAOYSA-N 0 1 333.815 3.887 20 10 EHCDMN CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000846055838 1137330908 /nfs/dbraw/zinc/33/09/08/1137330908.db2.gz QAPXYOXEGJUADL-AAEUAGOBSA-N 0 1 347.789 3.502 20 10 EHCDMN Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846279181 1137344895 /nfs/dbraw/zinc/34/48/95/1137344895.db2.gz WUQVBFHHTZFZCP-BJLQDIEVSA-N 0 1 342.483 3.670 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@H+](C)CCC3CCOCC3)c2c1 ZINC000121123919 1137367398 /nfs/dbraw/zinc/36/73/98/1137367398.db2.gz AOZULKCYEGKMKI-UHFFFAOYSA-N 0 1 329.440 3.803 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@@H+](C)CCC3CCOCC3)c2c1 ZINC000121123919 1137367400 /nfs/dbraw/zinc/36/74/00/1137367400.db2.gz AOZULKCYEGKMKI-UHFFFAOYSA-N 0 1 329.440 3.803 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773257096 1137481980 /nfs/dbraw/zinc/48/19/80/1137481980.db2.gz COWFZTGSRSADTH-HOTGVXAUSA-N 0 1 326.440 3.579 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773257096 1137481981 /nfs/dbraw/zinc/48/19/81/1137481981.db2.gz COWFZTGSRSADTH-HOTGVXAUSA-N 0 1 326.440 3.579 20 10 EHCDMN COCC(C)(C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000873116707 1137590503 /nfs/dbraw/zinc/59/05/03/1137590503.db2.gz BBLQSLLCYDWRIR-UHFFFAOYSA-N 0 1 349.258 3.561 20 10 EHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825738591 1137613846 /nfs/dbraw/zinc/61/38/46/1137613846.db2.gz PVKFOXVJDPCBGP-KWQFWETISA-N 0 1 338.167 3.927 20 10 EHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825738591 1137613847 /nfs/dbraw/zinc/61/38/47/1137613847.db2.gz PVKFOXVJDPCBGP-KWQFWETISA-N 0 1 338.167 3.927 20 10 EHCDMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(Br)cc1O ZINC000825738591 1137613848 /nfs/dbraw/zinc/61/38/48/1137613848.db2.gz PVKFOXVJDPCBGP-KWQFWETISA-N 0 1 338.167 3.927 20 10 EHCDMN Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1Cl ZINC000825752455 1137624875 /nfs/dbraw/zinc/62/48/75/1137624875.db2.gz AWLOQQVQACJIEM-SUNYJGFJSA-N 0 1 339.863 3.512 20 10 EHCDMN CS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000021499832 1137646450 /nfs/dbraw/zinc/64/64/50/1137646450.db2.gz QGACZVDOAJBGID-UHFFFAOYSA-N 0 1 346.235 3.715 20 10 EHCDMN CCOCCOCc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876823049 1137662791 /nfs/dbraw/zinc/66/27/91/1137662791.db2.gz WKAHJNBBKBEUBF-UHFFFAOYSA-N 0 1 337.366 3.836 20 10 EHCDMN O=C1CCCCN1c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876822744 1137662811 /nfs/dbraw/zinc/66/28/11/1137662811.db2.gz JJPWRGJTKSTOTG-UHFFFAOYSA-N 0 1 332.350 3.799 20 10 EHCDMN C[C@@H]1CC(=O)N(C)c2ccc(NCc3ccc(F)c(F)c3O)cc21 ZINC000877658651 1137684486 /nfs/dbraw/zinc/68/44/86/1137684486.db2.gz AMOFOWZSUWMGAS-SNVBAGLBSA-N 0 1 332.350 3.753 20 10 EHCDMN Cc1nccnc1[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000877828665 1137692581 /nfs/dbraw/zinc/69/25/81/1137692581.db2.gz NQBAOOMCEHXBSR-LBPRGKRZSA-N 0 1 338.377 3.721 20 10 EHCDMN COCC1(C[NH2+]Cc2c([O-])cccc2Br)CCCCC1 ZINC001202676993 1137921703 /nfs/dbraw/zinc/92/17/03/1137921703.db2.gz QTCWQLJHCIQNTR-UHFFFAOYSA-N 0 1 342.277 3.841 20 10 EHCDMN CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000886789345 1138140941 /nfs/dbraw/zinc/14/09/41/1138140941.db2.gz SMZXVMMCYKNAFX-KCXAZCMYSA-N 0 1 327.852 3.528 20 10 EHCDMN CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@@H]1CCCCO1 ZINC000826539651 1138241536 /nfs/dbraw/zinc/24/15/36/1138241536.db2.gz XNROGUVZQWYFLK-HIFRSBDPSA-N 0 1 328.250 3.592 20 10 EHCDMN COc1cccc(C2([NH2+]Cc3cc(Br)ccc3[O-])CC2)c1 ZINC000150902798 1138991120 /nfs/dbraw/zinc/99/11/20/1138991120.db2.gz GXKJNTVLQTXTKE-UHFFFAOYSA-N 0 1 348.240 3.942 20 10 EHCDMN COc1ncccc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151164083 1139014774 /nfs/dbraw/zinc/01/47/74/1139014774.db2.gz GZLILNKKYXZZPK-INIZCTEOSA-N 0 1 325.456 3.931 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000691388409 1140029888 /nfs/dbraw/zinc/02/98/88/1140029888.db2.gz PXXHRWPIQXETIQ-DUVNUKRYSA-N 0 1 340.261 3.763 20 10 EHCDMN Cc1csc(CN[C@@H](C)c2ccc(Br)cc2O)n1 ZINC000184954826 1140127599 /nfs/dbraw/zinc/12/75/99/1140127599.db2.gz DQICBNGNMJHJHD-VIFPVBQESA-N 0 1 327.247 3.770 20 10 EHCDMN Cc1csc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])n1 ZINC000184954826 1140127590 /nfs/dbraw/zinc/12/75/90/1140127590.db2.gz DQICBNGNMJHJHD-VIFPVBQESA-N 0 1 327.247 3.770 20 10 EHCDMN Cc1cc(Br)cc([C@@H](C)NCc2nccs2)c1O ZINC000187037004 1140233759 /nfs/dbraw/zinc/23/37/59/1140233759.db2.gz DQPXHZPYPBMQAI-SECBINFHSA-N 0 1 327.247 3.770 20 10 EHCDMN Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1ccc(F)c(F)c1O ZINC000187889214 1140275831 /nfs/dbraw/zinc/27/58/31/1140275831.db2.gz APKOTDHTFDMSGO-NSHDSACASA-N 0 1 334.366 3.854 20 10 EHCDMN Cc1ccoc1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000266236451 1140659260 /nfs/dbraw/zinc/65/92/60/1140659260.db2.gz VVYIYTKXYRDPPI-GASCZTMLSA-N 0 1 332.419 3.631 20 10 EHCDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000391990461 604862990 /nfs/dbraw/zinc/86/29/90/604862990.db2.gz IVWHECVUHDIUJN-OAHLLOKOSA-N 0 1 327.424 3.868 20 10 EHCDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000833419432 605548756 /nfs/dbraw/zinc/54/87/56/605548756.db2.gz DVZXRHHWQBCFMH-SFHVURJKSA-N 0 1 344.499 4.000 20 10 EHCDMN CN(Cc1cccs1)c1ccc(C[N@@H+](C)CCCC(=O)[O-])cc1 ZINC001604167606 972581679 /nfs/dbraw/zinc/58/16/79/972581679.db2.gz OZPISVZMVQCTSV-UHFFFAOYSA-N 0 1 332.469 3.681 20 10 EHCDMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1N1CCCCC1 ZINC001605166081 972867305 /nfs/dbraw/zinc/86/73/05/972867305.db2.gz VWVFFDQQODWHKV-WMZOPIPTSA-N 0 1 330.472 3.528 20 10 EHCDMN CC[N@@H+](Cc1ccoc1)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001596377979 983890477 /nfs/dbraw/zinc/89/04/77/983890477.db2.gz HKEIHLZINOCUGL-UHFFFAOYSA-N 0 1 330.359 3.631 20 10 EHCDMN C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598530659 992776178 /nfs/dbraw/zinc/77/61/78/992776178.db2.gz QBASCOSAVFVGQM-OAHLLOKOSA-N 0 1 339.313 3.669 20 10 EHCDMN CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001594113639 998227361 /nfs/dbraw/zinc/22/73/61/998227361.db2.gz OQHYMBKQOBYSFS-CZUORRHYSA-N 0 1 337.847 3.925 20 10 EHCDMN Oc1cc2c(cc1CN(Cc1ccco1)Cc1ccccc1)OCO2 ZINC000162215213 1032541173 /nfs/dbraw/zinc/54/11/73/1032541173.db2.gz KSHFINIOBSWDHW-UHFFFAOYSA-N 0 1 337.375 3.916 20 10 EHCDMN Cc1c(F)c(F)cc(NCc2ccc(N3CCN(C)CC3)cc2)c1F ZINC001167434557 1020019208 /nfs/dbraw/zinc/01/92/08/1020019208.db2.gz QCWMFYXMAWJEAV-UHFFFAOYSA-N 0 1 349.400 3.776 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)nc1 ZINC000179108594 1033148764 /nfs/dbraw/zinc/14/87/64/1033148764.db2.gz SRGWICUUHWIDAE-CYBMUJFWSA-N 0 1 349.837 3.562 20 10 EHCDMN COc1ccc(CNC2(c3c(F)cccc3F)CCC2)c(O)c1OC ZINC000895673709 1024704746 /nfs/dbraw/zinc/70/47/46/1024704746.db2.gz RSWVVFLXTHSMSN-UHFFFAOYSA-N 0 1 349.377 3.857 20 10 EHCDMN COc1cc(O)c(CN[C@H]2c3ccccc3CC[C@H]2F)cc1OC ZINC000895692237 1024727696 /nfs/dbraw/zinc/72/76/96/1024727696.db2.gz UQHXCNBKFIHRAN-BEFAXECRSA-N 0 1 331.387 3.525 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000105486790 1024949743 /nfs/dbraw/zinc/94/97/43/1024949743.db2.gz SDBLBFUNSJAPGQ-CQSZACIVSA-N 0 1 334.213 3.637 20 10 EHCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896225188 1025257061 /nfs/dbraw/zinc/25/70/61/1025257061.db2.gz UIMPIBCUMCEYME-LBPRGKRZSA-N 0 1 325.252 3.537 20 10 EHCDMN CC[C@@H](NCc1ccn(CC)n1)c1cc(Br)ccc1O ZINC000840840410 1026495929 /nfs/dbraw/zinc/49/59/29/1026495929.db2.gz JYJWJKXLLOYXTR-CQSZACIVSA-N 0 1 338.249 3.612 20 10 EHCDMN CC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1nnc2n1CCCCC2 ZINC000273466102 1027441529 /nfs/dbraw/zinc/44/15/29/1027441529.db2.gz DTFLBYRAIUXJRR-XJKSGUPXSA-N 0 1 344.459 3.521 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1[O-] ZINC000273500946 1027462819 /nfs/dbraw/zinc/46/28/19/1027462819.db2.gz QCBOZNIIJVSEAG-RNCFNFMXSA-N 0 1 336.233 3.606 20 10 EHCDMN CNC(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000021055112 1028066531 /nfs/dbraw/zinc/06/65/31/1028066531.db2.gz QTJRCMXGZHMCFI-UHFFFAOYSA-N 0 1 325.195 3.671 20 10 EHCDMN COc1c(O)c(C[N@@H+](Cc2cccs2)C(C)C)ccc1[N+](=O)[O-] ZINC000278330441 1030196233 /nfs/dbraw/zinc/19/62/33/1030196233.db2.gz ZENXIDBORICULK-UHFFFAOYSA-N 0 1 336.413 3.781 20 10 EHCDMN COc1c([O-])c(C[N@H+](Cc2cccs2)C(C)C)ccc1[N+](=O)[O-] ZINC000278330441 1030196246 /nfs/dbraw/zinc/19/62/46/1030196246.db2.gz ZENXIDBORICULK-UHFFFAOYSA-N 0 1 336.413 3.781 20 10 EHCDMN COc1c([O-])c(C[N@@H+](Cc2cccs2)C(C)C)ccc1[N+](=O)[O-] ZINC000278330441 1030196256 /nfs/dbraw/zinc/19/62/56/1030196256.db2.gz ZENXIDBORICULK-UHFFFAOYSA-N 0 1 336.413 3.781 20 10 EHCDMN C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(Br)cc1[O-] ZINC000527926411 1031420305 /nfs/dbraw/zinc/42/03/05/1031420305.db2.gz KXRHCEGGPJTZCG-NEPJUHHUSA-N 0 1 328.250 3.622 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1cc(Cl)ccc1[O-] ZINC000528000477 1031562896 /nfs/dbraw/zinc/56/28/96/1031562896.db2.gz SGSWLPIIOFBSAG-GDBMZVCRSA-N 0 1 330.815 3.650 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000898071484 1033322596 /nfs/dbraw/zinc/32/25/96/1033322596.db2.gz LUMAZFHFNSVLTK-LLVKDONJSA-N 0 1 338.860 3.575 20 10 EHCDMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000171936621 1034723524 /nfs/dbraw/zinc/72/35/24/1034723524.db2.gz RCUKCQZQQAGKMQ-ZDUSSCGKSA-N 0 1 332.831 3.813 20 10 EHCDMN Cc1nn(C)cc1CNCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282089877 1039095055 /nfs/dbraw/zinc/09/50/55/1039095055.db2.gz RVFPCQIVTSFCTL-CQSZACIVSA-N 0 1 346.906 3.908 20 10 EHCDMN COc1ccc2nc(CN[C@H](C)c3cc(OC)ccc3O)sc2c1 ZINC000187427065 1039635646 /nfs/dbraw/zinc/63/56/46/1039635646.db2.gz QBFKUKADLWZVJA-LLVKDONJSA-N 0 1 344.436 3.870 20 10 EHCDMN Cn1cc(Br)cc1C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000770324396 1133411480 /nfs/dbraw/zinc/41/14/80/1133411480.db2.gz NHWUQNCRJMOCRE-UHFFFAOYSA-N 0 1 343.652 3.779 20 10 EHCDMN CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691501916 1133558652 /nfs/dbraw/zinc/55/86/52/1133558652.db2.gz QWJKCFCKBZEMBY-QWHCGFSZSA-N 0 1 330.291 3.919 20 10 EHCDMN Cn1c(CNCc2ccc3c(c2)CCCO3)nc2cc(Cl)ccc21 ZINC000922016207 1129029202 /nfs/dbraw/zinc/02/92/02/1129029202.db2.gz BDDLLRBFZBJDCM-UHFFFAOYSA-N 0 1 341.842 3.842 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000182392251 1125272405 /nfs/dbraw/zinc/27/24/05/1125272405.db2.gz WWTIJUSTUNWOKQ-ZDUSSCGKSA-N 0 1 341.386 3.576 20 10 EHCDMN C[N@H+](Cc1ccccc1)C1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837482 1130521702 /nfs/dbraw/zinc/52/17/02/1130521702.db2.gz IUVXHNJQYMMWEZ-UHFFFAOYSA-N 0 1 328.431 3.628 20 10 EHCDMN C[N@@H+](Cc1ccccc1)C1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837482 1130521704 /nfs/dbraw/zinc/52/17/04/1130521704.db2.gz IUVXHNJQYMMWEZ-UHFFFAOYSA-N 0 1 328.431 3.628 20 10 EHCDMN CC[C@H](C)C[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000732182666 1130894236 /nfs/dbraw/zinc/89/42/36/1130894236.db2.gz HJRLNHKVVSNICF-AWEZNQCLSA-N 0 1 327.424 3.807 20 10 EHCDMN CC1(C)CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000732979480 1130977680 /nfs/dbraw/zinc/97/76/80/1130977680.db2.gz DGSZRFQZQBLVJH-UHFFFAOYSA-N 0 1 339.435 3.951 20 10 EHCDMN CC1(C)CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000732979480 1130977686 /nfs/dbraw/zinc/97/76/86/1130977686.db2.gz DGSZRFQZQBLVJH-UHFFFAOYSA-N 0 1 339.435 3.951 20 10 EHCDMN COc1ccc(N2CCC([NH2+]Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000733327113 1131026605 /nfs/dbraw/zinc/02/66/05/1131026605.db2.gz KKNDVPPRQZJXFY-UHFFFAOYSA-N 0 1 346.858 3.813 20 10 EHCDMN Cc1ccc([C@H]2CSCCN2Cc2cc3c(cc2O)OCO3)cc1 ZINC000738245929 1131466718 /nfs/dbraw/zinc/46/67/18/1131466718.db2.gz OYPJJWOIHYQOTC-MRXNPFEDSA-N 0 1 343.448 3.719 20 10 EHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(OC(F)F)c1 ZINC000742373890 1131716772 /nfs/dbraw/zinc/71/67/72/1131716772.db2.gz UDHOJLXLPJPFKK-UHFFFAOYSA-N 0 1 343.757 3.945 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000742716061 1131785109 /nfs/dbraw/zinc/78/51/09/1131785109.db2.gz VMKUTSUECIHCFT-PBHICJAKSA-N 0 1 341.785 3.926 20 10 EHCDMN C[C@H]1CN(Cc2c(O)ccc3ccncc32)[C@H](c2ccccc2)CO1 ZINC000743407041 1131916678 /nfs/dbraw/zinc/91/66/78/1131916678.db2.gz PTIVFUFBERTFNI-YWZLYKJASA-N 0 1 334.419 3.902 20 10 EHCDMN C[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000691426800 1132846880 /nfs/dbraw/zinc/84/68/80/1132846880.db2.gz KYOSQVGYUUBVKT-MRVPVSSYSA-N 0 1 326.156 3.833 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c(Cl)c1 ZINC001177920944 1133113885 /nfs/dbraw/zinc/11/38/85/1133113885.db2.gz ZLSYXECPCANDPG-OAHLLOKOSA-N 0 1 344.213 3.970 20 10 EHCDMN CN(C)c1ccc(CN(Cc2c[nH]nc2C(C)(C)C)C2CC2)cc1 ZINC000768256345 1133118222 /nfs/dbraw/zinc/11/82/22/1133118222.db2.gz CMTUABLYLDGAJP-UHFFFAOYSA-N 0 1 326.488 3.938 20 10 EHCDMN CCCc1ccc([C@H](C)N(CC(N)=O)Cc2cc(C)ccc2O)cc1 ZINC000769103743 1133232430 /nfs/dbraw/zinc/23/24/30/1133232430.db2.gz BOUBIULQXHWJAE-INIZCTEOSA-N 0 1 340.467 3.702 20 10 EHCDMN Cc1cc(O)c(CNCc2ccc(Br)cn2)c(Cl)c1 ZINC001179390049 1133250054 /nfs/dbraw/zinc/25/00/54/1133250054.db2.gz AGONRWRRUCXJMJ-UHFFFAOYSA-N 0 1 341.636 3.801 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000769777097 1133340374 /nfs/dbraw/zinc/34/03/74/1133340374.db2.gz MWKVBCQWUUZGAP-NRFANRHFSA-N 0 1 332.403 3.572 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000769777097 1133340380 /nfs/dbraw/zinc/34/03/80/1133340380.db2.gz MWKVBCQWUUZGAP-NRFANRHFSA-N 0 1 332.403 3.572 20 10 EHCDMN CN(Cc1cc(Br)cn1C)Cc1cc(Cl)ccc1O ZINC000770324396 1133411475 /nfs/dbraw/zinc/41/14/75/1133411475.db2.gz NHWUQNCRJMOCRE-UHFFFAOYSA-N 0 1 343.652 3.779 20 10 EHCDMN Cn1cc(Br)cc1C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000770324396 1133411478 /nfs/dbraw/zinc/41/14/78/1133411478.db2.gz NHWUQNCRJMOCRE-UHFFFAOYSA-N 0 1 343.652 3.779 20 10 EHCDMN COc1cccc(O)c1CN(Cc1ccco1)Cc1ccccc1O ZINC000771924558 1133610304 /nfs/dbraw/zinc/61/03/04/1133610304.db2.gz NXRJAVUIRWPNHO-UHFFFAOYSA-N 0 1 339.391 3.902 20 10 EHCDMN CCOC(=O)[C@@](C)(C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000787437631 1134003480 /nfs/dbraw/zinc/00/34/80/1134003480.db2.gz YGCPGBBHTCLNIH-IBGZPJMESA-N 0 1 347.842 3.656 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000774834091 1134035563 /nfs/dbraw/zinc/03/55/63/1134035563.db2.gz AKBPNDWAXXQHEX-CYBMUJFWSA-N 0 1 330.384 3.810 20 10 EHCDMN COc1c(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774853650 1134067733 /nfs/dbraw/zinc/06/77/33/1134067733.db2.gz PSWLKVACIDGUCA-SFHVURJKSA-N 0 1 342.395 3.892 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC(C)(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774853650 1134067748 /nfs/dbraw/zinc/06/77/48/1134067748.db2.gz PSWLKVACIDGUCA-SFHVURJKSA-N 0 1 342.395 3.892 20 10 EHCDMN CCC(O)(CC)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000788263611 1134103446 /nfs/dbraw/zinc/10/34/46/1134103446.db2.gz TYHPZTJOLNHEEZ-NSHDSACASA-N 0 1 330.266 3.747 20 10 EHCDMN COc1c([O-])c(C[N@H+](C)Cc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000774910132 1134117692 /nfs/dbraw/zinc/11/76/92/1134117692.db2.gz UCGBOTQRKPGKDL-UHFFFAOYSA-N 0 1 342.351 3.687 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)Cc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000774910132 1134117695 /nfs/dbraw/zinc/11/76/95/1134117695.db2.gz UCGBOTQRKPGKDL-UHFFFAOYSA-N 0 1 342.351 3.687 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1cc(Cl)ccc1[O-] ZINC000788606198 1134150281 /nfs/dbraw/zinc/15/02/81/1134150281.db2.gz DUVMNRSVQFKZPP-HNNXBMFYSA-N 0 1 333.819 3.640 20 10 EHCDMN COc1ccc2nc(CNCc3ccc(N(C)C)cc3C)sc2c1 ZINC000788962193 1134195728 /nfs/dbraw/zinc/19/57/28/1134195728.db2.gz IACAGXBPBJJPQJ-UHFFFAOYSA-N 0 1 341.480 3.969 20 10 EHCDMN Cc1nc(-c2cccc(NC(=O)c3c(F)ccc(O)c3O)c2)oc1C ZINC000789958228 1134351220 /nfs/dbraw/zinc/35/12/20/1134351220.db2.gz SPFAUMFYJHPNRW-UHFFFAOYSA-N 0 1 342.326 3.761 20 10 EHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccccc1C(C)(C)C ZINC000790409371 1134412526 /nfs/dbraw/zinc/41/25/26/1134412526.db2.gz ORGDKGMRZWZSLX-UHFFFAOYSA-N 0 1 349.452 3.889 20 10 EHCDMN C[C@H](O)[C@](C)(C[NH2+]Cc1cc(Cl)ccc1[O-])Cc1ccccc1 ZINC000791005176 1134492525 /nfs/dbraw/zinc/49/25/25/1134492525.db2.gz YMYCPYNQOGJIOJ-LIRRHRJNSA-N 0 1 333.859 3.765 20 10 EHCDMN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)c(C)c(C)c1O ZINC000775291500 1134615070 /nfs/dbraw/zinc/61/50/70/1134615070.db2.gz JRWFSMUOTNJOIA-UHFFFAOYSA-N 0 1 343.807 3.911 20 10 EHCDMN COC[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccc(F)c(F)c1 ZINC000775410802 1134749185 /nfs/dbraw/zinc/74/91/85/1134749185.db2.gz TXSLQWCZQMGKDL-SFHVURJKSA-N 0 1 334.410 3.817 20 10 EHCDMN CCc1cccc(F)c1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000792919313 1134824952 /nfs/dbraw/zinc/82/49/52/1134824952.db2.gz FQRFILCWYKXVNT-UHFFFAOYSA-N 0 1 346.421 3.654 20 10 EHCDMN CO[C@]1(C)CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000793218628 1134875767 /nfs/dbraw/zinc/87/57/67/1134875767.db2.gz TXUWHMRHFIUTSU-LJQANCHMSA-N 0 1 347.459 3.586 20 10 EHCDMN CCCN(CCC)c1ccc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000793363395 1134910189 /nfs/dbraw/zinc/91/01/89/1134910189.db2.gz UDECBDHATUBOMM-NQIIRXRSSA-N 0 1 346.515 3.693 20 10 EHCDMN CC[C@H]([NH2+]CCCC(=O)N(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775488693 1134935879 /nfs/dbraw/zinc/93/58/79/1134935879.db2.gz RHVNVICQPHHJNB-HNNXBMFYSA-N 0 1 326.868 3.735 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000793609639 1134971460 /nfs/dbraw/zinc/97/14/60/1134971460.db2.gz QLHZEYRFZWHZKU-HUUCEWRRSA-N 0 1 340.261 3.607 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000775507716 1134974568 /nfs/dbraw/zinc/97/45/68/1134974568.db2.gz OJTLABVUNUZKQW-XPKDYRNWSA-N 0 1 338.879 3.733 20 10 EHCDMN COc1ccc(N(Cc2cc(O)ccc2[N+](=O)[O-])C(C)C)cc1F ZINC001192139256 1134974697 /nfs/dbraw/zinc/97/46/97/1134974697.db2.gz BOQRARDYBPMRMF-UHFFFAOYSA-N 0 1 334.347 3.863 20 10 EHCDMN CC[C@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1cc(Cl)ccc1[O-] ZINC000775509250 1134974942 /nfs/dbraw/zinc/97/49/42/1134974942.db2.gz JLXPJRFULSNZBX-KRWDZBQOSA-N 0 1 346.858 3.689 20 10 EHCDMN Cc1ccc2[nH]cc(CN(C)C(=O)c3cc(O)c(O)c(Cl)c3)c2c1 ZINC001193612026 1135158414 /nfs/dbraw/zinc/15/84/14/1135158414.db2.gz LNTONORUKUJGEO-UHFFFAOYSA-N 0 1 344.798 3.813 20 10 EHCDMN COc1cnc2c(cccc2NC(=O)c2cc(O)c(O)c(Cl)c2)c1 ZINC001193625754 1135161527 /nfs/dbraw/zinc/16/15/27/1135161527.db2.gz SEFKUIISDNGCBT-UHFFFAOYSA-N 0 1 344.754 3.560 20 10 EHCDMN C[N@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](c2ccccc2)C1 ZINC000775633811 1135363785 /nfs/dbraw/zinc/36/37/85/1135363785.db2.gz LECZHAGEHRQWAM-KRWDZBQOSA-N 0 1 334.822 3.673 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(Br)cc1[O-] ZINC000806178687 1135411508 /nfs/dbraw/zinc/41/15/08/1135411508.db2.gz WQYKIKLPJXBYGU-GHMZBOCLSA-N 0 1 330.291 3.949 20 10 EHCDMN COc1cc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc(OC)c1 ZINC000775653653 1135419749 /nfs/dbraw/zinc/41/97/49/1135419749.db2.gz LRJKCUOYRVITBP-UHFFFAOYSA-N 0 1 339.794 3.834 20 10 EHCDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1cccnc1 ZINC000806320116 1135427371 /nfs/dbraw/zinc/42/73/71/1135427371.db2.gz QSHVNAJAGSTEBH-VIFPVBQESA-N 0 1 340.210 3.654 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cncc(F)c1 ZINC000806508759 1135449501 /nfs/dbraw/zinc/44/95/01/1135449501.db2.gz TZNMIVRUEZMGHF-UHFFFAOYSA-N 0 1 330.146 3.555 20 10 EHCDMN C[C@@H](N[C@@H](C)C(F)(F)F)c1cc(Br)c(F)cc1O ZINC000806661090 1135478542 /nfs/dbraw/zinc/47/85/42/1135478542.db2.gz WRQHDNZWQFDIHH-RITPCOANSA-N 0 1 330.119 3.895 20 10 EHCDMN CCC[C@@H]1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000807840576 1135575634 /nfs/dbraw/zinc/57/56/34/1135575634.db2.gz DYXLUAZFJXDTIF-ZWNOBZJWSA-N 0 1 346.254 3.911 20 10 EHCDMN Cc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000807840279 1135576594 /nfs/dbraw/zinc/57/65/94/1135576594.db2.gz WSPRZIHQNURPHA-UHFFFAOYSA-N 0 1 330.236 3.928 20 10 EHCDMN CC(=O)CCC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838005 1135581688 /nfs/dbraw/zinc/58/16/88/1135581688.db2.gz ITSIILNDQZNVEN-UHFFFAOYSA-N 0 1 332.227 3.711 20 10 EHCDMN COC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c(C)o1 ZINC000747532983 1135749018 /nfs/dbraw/zinc/74/90/18/1135749018.db2.gz DLMSSUMLGAYSHG-UHFFFAOYSA-N 0 1 342.439 3.605 20 10 EHCDMN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236961 1135946159 /nfs/dbraw/zinc/94/61/59/1135946159.db2.gz ORGYGWFPPIFZQZ-OFQRWUPVSA-N 0 1 347.377 3.646 20 10 EHCDMN CS[C@@H]1CCCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000770348744 1136081368 /nfs/dbraw/zinc/08/13/68/1136081368.db2.gz LCCDKEQCPYFXQS-GFCCVEGCSA-N 0 1 330.291 3.872 20 10 EHCDMN COc1cc(CNCc2nccn2CC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850157712 1136215519 /nfs/dbraw/zinc/21/55/19/1136215519.db2.gz UHZYAMNSAGBJAQ-UHFFFAOYSA-N 0 1 345.487 3.841 20 10 EHCDMN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000850484976 1136268207 /nfs/dbraw/zinc/26/82/07/1136268207.db2.gz WATBOMISCWSGRC-LBPRGKRZSA-N 0 1 332.831 3.533 20 10 EHCDMN COc1cccc(OC)c1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850505588 1136273449 /nfs/dbraw/zinc/27/34/49/1136273449.db2.gz SXJXJUFQBZNYJN-FZMZJTMJSA-N 0 1 331.387 3.887 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000850541390 1136282019 /nfs/dbraw/zinc/28/20/19/1136282019.db2.gz VYKDNFDNPGWKTR-RVSPLBMKSA-N 0 1 333.863 3.841 20 10 EHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)c1F ZINC000850567960 1136287783 /nfs/dbraw/zinc/28/77/83/1136287783.db2.gz MVTQSEPJLFNYPE-AWEZNQCLSA-N 0 1 346.421 3.777 20 10 EHCDMN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684965 1136356021 /nfs/dbraw/zinc/35/60/21/1136356021.db2.gz ZENCFNUVARBTFJ-GXFFZTMASA-N 0 1 348.270 3.893 20 10 EHCDMN Cc1nnsc1CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000813883418 1136372557 /nfs/dbraw/zinc/37/25/57/1136372557.db2.gz KEDHSUMZEYXMBR-GFCCVEGCSA-N 0 1 334.464 3.827 20 10 EHCDMN CC[C@H]([NH2+]Cc1snnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000813884560 1136372855 /nfs/dbraw/zinc/37/28/55/1136372855.db2.gz XBXJZQIZYJWNBT-NSHDSACASA-N 0 1 331.363 3.812 20 10 EHCDMN Cc1cc(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000851707185 1136400164 /nfs/dbraw/zinc/40/01/64/1136400164.db2.gz VKLVARUMLGDVPG-UYAOXDASSA-N 0 1 344.499 3.916 20 10 EHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851793070 1136407566 /nfs/dbraw/zinc/40/75/66/1136407566.db2.gz WCBNENKCEATWTB-KRWDZBQOSA-N 0 1 346.515 3.889 20 10 EHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851793070 1136407568 /nfs/dbraw/zinc/40/75/68/1136407568.db2.gz WCBNENKCEATWTB-KRWDZBQOSA-N 0 1 346.515 3.889 20 10 EHCDMN CSC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000814178849 1136412285 /nfs/dbraw/zinc/41/22/85/1136412285.db2.gz GBCLXTUTRGVOLJ-SNVBAGLBSA-N 0 1 330.837 3.529 20 10 EHCDMN C[C@]12CC[N@@H+](Cc3cccc(Br)c3[O-])C[C@H]1C2(F)F ZINC000814169275 1136414757 /nfs/dbraw/zinc/41/47/57/1136414757.db2.gz FXRAGLWXDKLTAF-YPMHNXCESA-N 0 1 332.188 3.632 20 10 EHCDMN CC(C)(C)OCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000852550581 1136465504 /nfs/dbraw/zinc/46/55/04/1136465504.db2.gz BSMOJPMCBJGUDI-UHFFFAOYSA-N 0 1 349.258 3.703 20 10 EHCDMN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc2ccccc2c1[O-] ZINC000816482060 1136722792 /nfs/dbraw/zinc/72/27/92/1136722792.db2.gz SURDROOVYQFIHF-UHFFFAOYSA-N 0 1 335.403 3.949 20 10 EHCDMN C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc2ccccc2c1[O-] ZINC000816482060 1136722794 /nfs/dbraw/zinc/72/27/94/1136722794.db2.gz SURDROOVYQFIHF-UHFFFAOYSA-N 0 1 335.403 3.949 20 10 EHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])c(OC)c1 ZINC000816482200 1136723795 /nfs/dbraw/zinc/72/37/95/1136723795.db2.gz XYFOAPHWIYCBSK-UHFFFAOYSA-N 0 1 339.794 3.834 20 10 EHCDMN CCc1nc([C@@H]2CCCCN2Cc2cc(Cl)c(F)cc2O)no1 ZINC000816494563 1136724864 /nfs/dbraw/zinc/72/48/64/1136724864.db2.gz QXCOOLKQJYNRHG-ZDUSSCGKSA-N 0 1 339.798 3.857 20 10 EHCDMN Oc1c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521255 1136726851 /nfs/dbraw/zinc/72/68/51/1136726851.db2.gz KRMPHLQOUIKEAU-UTKZUKDTSA-N 0 1 336.479 3.994 20 10 EHCDMN Oc1c(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521255 1136726852 /nfs/dbraw/zinc/72/68/52/1136726852.db2.gz KRMPHLQOUIKEAU-UTKZUKDTSA-N 0 1 336.479 3.994 20 10 EHCDMN C[C@H](NCc1cc(Cl)c(F)cc1O)c1nc(C(C)(C)C)no1 ZINC000816590763 1136734702 /nfs/dbraw/zinc/73/47/02/1136734702.db2.gz LBADBYBQXUWPLK-QMMMGPOBSA-N 0 1 327.787 3.716 20 10 EHCDMN [O-]c1c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc2ccccc12 ZINC000816615819 1136741460 /nfs/dbraw/zinc/74/14/60/1136741460.db2.gz GWHNLJOPJHANBR-INIZCTEOSA-N 0 1 327.815 3.842 20 10 EHCDMN [O-]c1c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc2ccccc12 ZINC000816615819 1136741464 /nfs/dbraw/zinc/74/14/64/1136741464.db2.gz GWHNLJOPJHANBR-INIZCTEOSA-N 0 1 327.815 3.842 20 10 EHCDMN Cc1c(Cl)c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])nn1C ZINC000817409139 1136805709 /nfs/dbraw/zinc/80/57/09/1136805709.db2.gz AKHBTVSAWIPJNG-UHFFFAOYSA-N 0 1 334.634 3.684 20 10 EHCDMN CC(C)(C)OC(=O)c1ccc(CNCc2ccc3c(c2)CCO3)s1 ZINC000858120695 1136941962 /nfs/dbraw/zinc/94/19/62/1136941962.db2.gz JXVQCEPFEWWMSB-UHFFFAOYSA-N 0 1 345.464 3.928 20 10 EHCDMN CCN(C)c1ccccc1C[NH2+]Cc1c([O-])cccc1Br ZINC000858130861 1136942346 /nfs/dbraw/zinc/94/23/46/1136942346.db2.gz BHHKBUWJZOLZMW-UHFFFAOYSA-N 0 1 349.272 3.901 20 10 EHCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000822570580 1137065379 /nfs/dbraw/zinc/06/53/79/1137065379.db2.gz NMDDHDHXRHOMBE-IBGZPJMESA-N 0 1 343.515 3.508 20 10 EHCDMN COCC[C@H]1CCCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862332247 1137138254 /nfs/dbraw/zinc/13/82/54/1137138254.db2.gz ILVJQYPAYCXJQW-CYBMUJFWSA-N 0 1 342.277 3.793 20 10 EHCDMN COCC[C@H]1CCCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862332247 1137138255 /nfs/dbraw/zinc/13/82/55/1137138255.db2.gz ILVJQYPAYCXJQW-CYBMUJFWSA-N 0 1 342.277 3.793 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000862403526 1137143073 /nfs/dbraw/zinc/14/30/73/1137143073.db2.gz RHMLKRLGVYOVRS-CYBMUJFWSA-N 0 1 332.188 3.776 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000862403526 1137143075 /nfs/dbraw/zinc/14/30/75/1137143075.db2.gz RHMLKRLGVYOVRS-CYBMUJFWSA-N 0 1 332.188 3.776 20 10 EHCDMN CC(C)N(Cc1c(C2CC2)cnn1C)Cc1ccc(N(C)C)cc1 ZINC000824567445 1137143134 /nfs/dbraw/zinc/14/31/34/1137143134.db2.gz SXTWVWKDKVRNAM-UHFFFAOYSA-N 0 1 326.488 3.774 20 10 EHCDMN CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1)C(N)=O ZINC000824608684 1137144906 /nfs/dbraw/zinc/14/49/06/1137144906.db2.gz MGCRLIRYDVKFKH-HNNXBMFYSA-N 0 1 340.467 3.659 20 10 EHCDMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1)C(N)=O ZINC000824608684 1137144907 /nfs/dbraw/zinc/14/49/07/1137144907.db2.gz MGCRLIRYDVKFKH-HNNXBMFYSA-N 0 1 340.467 3.659 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215792 1137169014 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CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000846203611 1137341686 /nfs/dbraw/zinc/34/16/86/1137341686.db2.gz UJGPNIJXTSTBSW-WDBKCZKBSA-N 0 1 328.250 3.763 20 10 EHCDMN COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000773039413 1137461442 /nfs/dbraw/zinc/46/14/42/1137461442.db2.gz GJPZGHXKSDZOQD-HNNXBMFYSA-N 0 1 344.430 3.522 20 10 EHCDMN COc1ccc(N(C)CCN(C)Cc2cc(C(F)(F)F)co2)cc1 ZINC001171729034 1137506597 /nfs/dbraw/zinc/50/65/97/1137506597.db2.gz FHYGVXQYGJFDMC-UHFFFAOYSA-N 0 1 342.361 3.875 20 10 EHCDMN C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)c3cccnc3c1O)C2 ZINC001172104635 1137536480 /nfs/dbraw/zinc/53/64/80/1137536480.db2.gz DPFJAQOSPPXBKM-QKDCVEJESA-N 0 1 345.874 3.699 20 10 EHCDMN Cc1ccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c(O)c1 ZINC000876591186 1137656548 /nfs/dbraw/zinc/65/65/48/1137656548.db2.gz ITVYFOMJXLJXIF-UHFFFAOYSA-N 0 1 326.440 3.696 20 10 EHCDMN O=C1CCCCN1Cc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876853416 1137663721 /nfs/dbraw/zinc/66/37/21/1137663721.db2.gz 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C[C@H]([NH2+]CCCc1nccs1)c1cc(Br)ccc1[O-] ZINC000273481166 1027451323 /nfs/dbraw/zinc/45/13/23/1027451323.db2.gz LZBQOEWSHKGELK-JTQLQIEISA-N 0 1 341.274 3.895 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136705145 1028267397 /nfs/dbraw/zinc/26/73/97/1028267397.db2.gz PXJQGZWVKBJBDW-AWEZNQCLSA-N 0 1 340.261 3.736 20 10 EHCDMN Fc1ccc(C2(NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000729685513 1028488740 /nfs/dbraw/zinc/48/87/40/1028488740.db2.gz FOEKFSDQENDMDE-UHFFFAOYSA-N 0 1 344.405 3.580 20 10 EHCDMN CCN(CC)c1ccc(CN[C@H](C)c2cc(C(=O)OC)co2)cc1 ZINC000278178440 1029527012 /nfs/dbraw/zinc/52/70/12/1029527012.db2.gz DBEWSURHHVNFBK-CQSZACIVSA-N 0 1 330.428 3.763 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729852398 1030975883 /nfs/dbraw/zinc/97/58/83/1030975883.db2.gz ZQTMYMGQCDZNCN-NRFANRHFSA-N 0 1 334.419 3.904 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729852398 1030975903 /nfs/dbraw/zinc/97/59/03/1030975903.db2.gz 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CCN(C)c1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000178728647 1040770715 /nfs/dbraw/zinc/77/07/15/1040770715.db2.gz PDTUMQUVVBRFPJ-CQSZACIVSA-N 0 1 343.427 3.910 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN1CCS[C@H](C(F)(F)F)C1 ZINC001207564090 1042860662 /nfs/dbraw/zinc/86/06/62/1042860662.db2.gz JVMWVBWAXMMKAA-JTQLQIEISA-N 0 1 329.746 3.664 20 10 EHCDMN O=C(NCc1ccccc1O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000759959728 1043033555 /nfs/dbraw/zinc/03/35/55/1043033555.db2.gz ZPCVUTYOXOKSQD-UHFFFAOYSA-N 0 1 349.415 3.927 20 10 EHCDMN COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185419265 1126890133 /nfs/dbraw/zinc/89/01/33/1126890133.db2.gz REKXFCSPVSXFCK-JLTOFOAXSA-N 0 1 337.419 3.938 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000186086139 1127254446 /nfs/dbraw/zinc/25/44/46/1127254446.db2.gz SGBGKIHWGYLBGZ-UKRRQHHQSA-N 0 1 326.440 3.595 20 10 EHCDMN CCOc1ccc(CN2CCN([C@H](C)c3ccsc3)CC2)c(O)c1 ZINC000765719570 1127736878 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EHCDMN CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775643525 1135385505 /nfs/dbraw/zinc/38/55/05/1135385505.db2.gz QFEDEDOSYOUENA-UHFFFAOYSA-N 0 1 332.831 3.679 20 10 EHCDMN COc1cc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])ccc1O ZINC000775647895 1135398027 /nfs/dbraw/zinc/39/80/27/1135398027.db2.gz GUHTYWWURQWJNO-UHFFFAOYSA-N 0 1 325.767 3.531 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCCSC1)c1cc(Br)ccc1[O-] ZINC000806178223 1135411594 /nfs/dbraw/zinc/41/15/94/1135411594.db2.gz DXVRQTZLXOLHRW-WDEREUQCSA-N 0 1 330.291 3.949 20 10 EHCDMN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])CC1CC1 ZINC000775657470 1135423542 /nfs/dbraw/zinc/42/35/42/1135423542.db2.gz BDNJGUIRHRWSHE-UHFFFAOYSA-N 0 1 349.066 3.759 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000775679225 1135503765 /nfs/dbraw/zinc/50/37/65/1135503765.db2.gz RIVFVPNNMJAIAG-INIZCTEOSA-N 0 1 339.769 3.897 20 10 EHCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000775695324 1135531493 /nfs/dbraw/zinc/53/14/93/1135531493.db2.gz 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O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc(Cl)ccc3[O-])c2c1 ZINC000808452188 1135670204 /nfs/dbraw/zinc/67/02/04/1135670204.db2.gz BCUUMHCGNJEUGP-UHFFFAOYSA-N 0 1 345.786 3.767 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC000808696332 1135725383 /nfs/dbraw/zinc/72/53/83/1135725383.db2.gz PIHKIFBEYOPMOE-GZBFAFLISA-N 0 1 338.879 3.652 20 10 EHCDMN COc1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000809700570 1135868893 /nfs/dbraw/zinc/86/88/93/1135868893.db2.gz JILCGCXASGFSQM-WFASDCNBSA-N 0 1 327.852 3.570 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000809700570 1135868895 /nfs/dbraw/zinc/86/88/95/1135868895.db2.gz JILCGCXASGFSQM-WFASDCNBSA-N 0 1 327.852 3.570 20 10 EHCDMN CC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)C[C@@H](C)[S@@]1=O ZINC000809700463 1135869290 /nfs/dbraw/zinc/86/92/90/1135869290.db2.gz HCSFQEIOTPWYNN-JLCUDIMXSA-N 0 1 343.492 3.791 20 10 EHCDMN CN(Cc1nc(-c2cccs2)no1)Cc1cccc(Cl)c1O ZINC000809687888 1135872070 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C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(Cl)ccc1O ZINC000809770656 1135880668 /nfs/dbraw/zinc/88/06/68/1135880668.db2.gz DHGLGSITHRFRPT-FZMZJTMJSA-N 0 1 340.851 3.533 20 10 EHCDMN CCCCn1nc(C)c(CNCc2cccc(OC)c2O)c1Cl ZINC000809740042 1135883530 /nfs/dbraw/zinc/88/35/30/1135883530.db2.gz KJGNFPRWQPSKIG-UHFFFAOYSA-N 0 1 337.851 3.649 20 10 EHCDMN Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc(N2CCCC2)n1 ZINC000810168474 1135929729 /nfs/dbraw/zinc/92/97/29/1135929729.db2.gz CYVFXMMFSQRBMX-UHFFFAOYSA-N 0 1 331.847 3.639 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207170 1135943051 /nfs/dbraw/zinc/94/30/51/1135943051.db2.gz DSLHEJBYCLMQCO-UKRRQHHQSA-N 0 1 330.394 3.936 20 10 EHCDMN CC[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236488 1135946129 /nfs/dbraw/zinc/94/61/29/1135946129.db2.gz GUDYSHWDVWEVPJ-CYBMUJFWSA-N 0 1 333.350 3.603 20 10 EHCDMN CO[C@@H](C)c1nc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cs1 ZINC000776232465 1136087081 /nfs/dbraw/zinc/08/70/81/1136087081.db2.gz YIJYAINLAIEMMD-QMMMGPOBSA-N 0 1 330.812 3.638 20 10 EHCDMN CCN(CC)c1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000811521104 1136098321 /nfs/dbraw/zinc/09/83/21/1136098321.db2.gz ZLOSSFJOTMSFCV-SFHVURJKSA-N 0 1 332.879 3.830 20 10 EHCDMN COc1cc(CNCc2nccn2C(F)F)c(O)c(C(C)(C)C)c1 ZINC000850090202 1136209522 /nfs/dbraw/zinc/20/95/22/1136209522.db2.gz MQVWDDXYSLKITL-UHFFFAOYSA-N 0 1 339.386 3.580 20 10 EHCDMN CCOCc1cc(CNCc2c(C3CCC3)cnn2C)ccc1OC ZINC000850391465 1136247847 /nfs/dbraw/zinc/24/78/47/1136247847.db2.gz RDVXPDPVCVIKCS-UHFFFAOYSA-N 0 1 343.471 3.523 20 10 EHCDMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109772885 1136339575 /nfs/dbraw/zinc/33/95/75/1136339575.db2.gz YCSAPTWTXFVVRC-ZDUSSCGKSA-N 0 1 332.831 3.813 20 10 EHCDMN CSc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109770218 1136339842 /nfs/dbraw/zinc/33/98/42/1136339842.db2.gz LNYHEFUWWFEBAP-CYBMUJFWSA-N 0 1 330.453 3.573 20 10 EHCDMN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(C)Cc2ccccc2O)cc1 ZINC000111235234 1136524441 /nfs/dbraw/zinc/52/44/41/1136524441.db2.gz HRNDOUQSYQVTNV-JKSUJKDBSA-N 0 1 340.467 3.652 20 10 EHCDMN CC1(C2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)OCCO1 ZINC000816509187 1136728832 /nfs/dbraw/zinc/72/88/32/1136728832.db2.gz GXAKXEZONPNYCR-UHFFFAOYSA-N 0 1 327.424 3.520 20 10 EHCDMN Oc1cccc([C@H]2CN(Cc3ccc4ccccc4c3O)CCO2)c1 ZINC000816513625 1136729571 /nfs/dbraw/zinc/72/95/71/1136729571.db2.gz WYHNALPSRCANHB-HXUWFJFHSA-N 0 1 335.403 3.825 20 10 EHCDMN C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1[O-] ZINC000816514378 1136729610 /nfs/dbraw/zinc/72/96/10/1136729610.db2.gz VRLXCOBTVVXZQU-UHFFFAOYSA-N 0 1 344.455 3.892 20 10 EHCDMN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1[O-] ZINC000816514378 1136729613 /nfs/dbraw/zinc/72/96/13/1136729613.db2.gz VRLXCOBTVVXZQU-UHFFFAOYSA-N 0 1 344.455 3.892 20 10 EHCDMN CN(C)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])Cc2ccccc2C1 ZINC000816552102 1136735204 /nfs/dbraw/zinc/73/52/04/1136735204.db2.gz AVWUYRULVNDILB-UHFFFAOYSA-N 0 1 346.474 3.734 20 10 EHCDMN CCOC(=O)N[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])CC(C)C ZINC000816561972 1136737638 /nfs/dbraw/zinc/73/76/38/1136737638.db2.gz SUUSPXNJPPYVEE-QGZVFWFLSA-N 0 1 344.455 3.796 20 10 EHCDMN CC1([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3[O-])C2)OCCO1 ZINC000816568236 1136738260 /nfs/dbraw/zinc/73/82/60/1136738260.db2.gz AZWBSJGUGKYTHC-QGZVFWFLSA-N 0 1 327.424 3.520 20 10 EHCDMN CC1([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)OCCO1 ZINC000816568236 1136738263 /nfs/dbraw/zinc/73/82/63/1136738263.db2.gz AZWBSJGUGKYTHC-QGZVFWFLSA-N 0 1 327.424 3.520 20 10 EHCDMN c1cc(N2CCCCC2)ccc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666317 1136747301 /nfs/dbraw/zinc/74/73/01/1136747301.db2.gz KGFAZMIHUHQQMS-LEWJYISDSA-N 0 1 326.484 3.820 20 10 EHCDMN CO[C@@H]1CCCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000816682404 1136748457 /nfs/dbraw/zinc/74/84/57/1136748457.db2.gz XCOUKAWLUKJYIY-DGCLKSJQSA-N 0 1 332.227 3.520 20 10 EHCDMN CO[C@@H]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000816682015 1136748639 /nfs/dbraw/zinc/74/86/39/1136748639.db2.gz MPEKMVPDEYTRDG-BXKDBHETSA-N 0 1 332.227 3.520 20 10 EHCDMN CC[C@@H](NC[C@]1(COC)CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817975882 1136854252 /nfs/dbraw/zinc/85/42/52/1136854252.db2.gz ZEXNUDDSEDOFFO-CJNGLKHVSA-N 0 1 347.286 3.508 20 10 EHCDMN CC[C@@H]([NH2+]C[C@]1(COC)CCCN1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817975882 1136854255 /nfs/dbraw/zinc/85/42/55/1136854255.db2.gz ZEXNUDDSEDOFFO-CJNGLKHVSA-N 0 1 347.286 3.508 20 10 EHCDMN COc1cccc(C2([NH2+]Cc3c([O-])cccc3Br)CC2)c1 ZINC000858150347 1136944490 /nfs/dbraw/zinc/94/44/90/1136944490.db2.gz STDLCEYEYFEBSF-UHFFFAOYSA-N 0 1 348.240 3.942 20 10 EHCDMN COc1cccc(C2(NCc3c(O)cccc3Br)CC2)c1 ZINC000858150347 1136944491 /nfs/dbraw/zinc/94/44/91/1136944491.db2.gz STDLCEYEYFEBSF-UHFFFAOYSA-N 0 1 348.240 3.942 20 10 EHCDMN Cc1cc(CNCc2c(C3CC3)cnn2C)c(C)n1-c1ccccc1 ZINC000858294878 1136955970 /nfs/dbraw/zinc/95/59/70/1136955970.db2.gz QIXIDGMJJVSSHT-UHFFFAOYSA-N 0 1 334.467 3.995 20 10 EHCDMN C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(Cl)ccc1[O-] ZINC000858451971 1136968980 /nfs/dbraw/zinc/96/89/80/1136968980.db2.gz FKEKLWOMCHOKOA-QMMMGPOBSA-N 0 1 333.741 3.649 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cc(Cl)ccc1[O-] ZINC000858539838 1136977335 /nfs/dbraw/zinc/97/73/35/1136977335.db2.gz NOOJTJQCNGKBLJ-AWEZNQCLSA-N 0 1 346.814 3.731 20 10 EHCDMN C[C@@H](NCc1cc(O)ccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000859230195 1137008968 /nfs/dbraw/zinc/00/89/68/1137008968.db2.gz SYGQLMIJFXEIFG-CQSZACIVSA-N 0 1 346.858 3.733 20 10 EHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862351392 1137139617 /nfs/dbraw/zinc/13/96/17/1137139617.db2.gz OKHWLBDFRVOBGL-WCBMZHEXSA-N 0 1 338.167 3.927 20 10 EHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])cccc1Br ZINC000862351392 1137139618 /nfs/dbraw/zinc/13/96/18/1137139618.db2.gz OKHWLBDFRVOBGL-WCBMZHEXSA-N 0 1 338.167 3.927 20 10 EHCDMN CN(C)c1cc(F)c(CN2CCC(c3ccncc3)CC2)cc1F ZINC000862366603 1137140798 /nfs/dbraw/zinc/14/07/98/1137140798.db2.gz LCBWVBMDQXRVQD-UHFFFAOYSA-N 0 1 331.410 3.805 20 10 EHCDMN CN(C)c1cc(F)c(CN2CCC3(CCC(O)CC3)CC2)cc1F ZINC000862382079 1137141466 /nfs/dbraw/zinc/14/14/66/1137141466.db2.gz NCJBRTLFDFJSPI-UHFFFAOYSA-N 0 1 338.442 3.548 20 10 EHCDMN Cc1cc([O-])c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1Cl ZINC000824645244 1137146085 /nfs/dbraw/zinc/14/60/85/1137146085.db2.gz BFMCYQJLJIENLS-MRXNPFEDSA-N 0 1 339.863 3.514 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824695942 1137148809 /nfs/dbraw/zinc/14/88/09/1137148809.db2.gz FEOBNIAEQCAEFU-BMFZPTHFSA-N 0 1 327.827 3.700 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000824709712 1137149551 /nfs/dbraw/zinc/14/95/51/1137149551.db2.gz SFWPHPXSMCBZGR-DIOULYMOSA-N 0 1 347.377 3.503 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000824709716 1137149654 /nfs/dbraw/zinc/14/96/54/1137149654.db2.gz SFWPHPXSMCBZGR-WPGHFRTFSA-N 0 1 347.377 3.503 20 10 EHCDMN COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000824813995 1137153636 /nfs/dbraw/zinc/15/36/36/1137153636.db2.gz KXAZLZNOIVNAHK-QGZVFWFLSA-N 0 1 335.831 3.528 20 10 EHCDMN COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000824813995 1137153637 /nfs/dbraw/zinc/15/36/37/1137153637.db2.gz KXAZLZNOIVNAHK-QGZVFWFLSA-N 0 1 335.831 3.528 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000825341479 1137173728 /nfs/dbraw/zinc/17/37/28/1137173728.db2.gz KSTBMYUIRJVRMZ-CQSZACIVSA-N 0 1 340.261 3.736 20 10 EHCDMN C[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2[O-])CCC1(F)F ZINC001144299213 1137268596 /nfs/dbraw/zinc/26/85/96/1137268596.db2.gz RPOLOMVFJKNSBX-QMMMGPOBSA-N 0 1 338.167 3.771 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)cc1Cl ZINC000825568401 1137299270 /nfs/dbraw/zinc/29/92/70/1137299270.db2.gz XQMOERIEHLQEOG-UHFFFAOYSA-N 0 1 330.815 3.615 20 10 EHCDMN CCn1cc(C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C(C)C)cn1 ZINC000846055298 1137331397 /nfs/dbraw/zinc/33/13/97/1137331397.db2.gz KWWJBKYIDXZYEM-UHFFFAOYSA-N 0 1 325.815 3.812 20 10 EHCDMN CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001172332475 1137551400 /nfs/dbraw/zinc/55/14/00/1137551400.db2.gz DSYSQUGRXRXVJA-VXGBXAGGSA-N 0 1 330.266 3.838 20 10 EHCDMN CCOCc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000873184587 1137592998 /nfs/dbraw/zinc/59/29/98/1137592998.db2.gz TVJVCWLOTOWOLI-CQSZACIVSA-N 0 1 344.411 3.991 20 10 EHCDMN Cc1cccc(O)c1CN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000876592892 1137656577 /nfs/dbraw/zinc/65/65/77/1137656577.db2.gz VDKZRKLIAMPDAJ-UHFFFAOYSA-N 0 1 337.423 3.760 20 10 EHCDMN CCN(Cc1ccns1)Cc1cc(Br)ccc1O ZINC000876793440 1137661535 /nfs/dbraw/zinc/66/15/35/1137661535.db2.gz DNSRQEYMOCDGCL-UHFFFAOYSA-N 0 1 327.247 3.633 20 10 EHCDMN C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825944724 1137671811 /nfs/dbraw/zinc/67/18/11/1137671811.db2.gz ZWJUVLJGWITUHZ-MGPLVRAMSA-N 0 1 334.213 3.767 20 10 EHCDMN CCCOc1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1C ZINC000877332228 1137674549 /nfs/dbraw/zinc/67/45/49/1137674549.db2.gz WOZPDSCHYJHGFN-IBGZPJMESA-N 0 1 336.439 3.781 20 10 EHCDMN C[C@@H](CCc1cccnc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000877520613 1137679437 /nfs/dbraw/zinc/67/94/37/1137679437.db2.gz CLRDUNCEFLWUQT-LBPRGKRZSA-N 0 1 335.245 3.661 20 10 EHCDMN CCOP(=O)(CCC[NH2+]Cc1cc(Cl)ccc1[O-])OCC ZINC000877611998 1137682971 /nfs/dbraw/zinc/68/29/71/1137682971.db2.gz ABVXMPHDKPVSER-UHFFFAOYSA-N 0 1 335.768 3.791 20 10 EHCDMN COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000877783701 1137689626 /nfs/dbraw/zinc/68/96/26/1137689626.db2.gz DHZOYZTZMPYBCW-CQSZACIVSA-N 0 1 329.444 3.627 20 10 EHCDMN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(Cl)c(F)cc1O ZINC000877851785 1137693384 /nfs/dbraw/zinc/69/33/84/1137693384.db2.gz MKDZDCTWWDOHNG-OAHLLOKOSA-N 0 1 340.826 3.728 20 10 EHCDMN CCOc1cccc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000130643499 1137840403 /nfs/dbraw/zinc/84/04/03/1137840403.db2.gz JCAWWHBAXURWTP-HNAYVOBHSA-N 0 1 327.424 3.753 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cc(Cl)ccc1[O-] ZINC000883263571 1137851431 /nfs/dbraw/zinc/85/14/31/1137851431.db2.gz ZJAIIFWFZXKJJX-UKRRQHHQSA-N 0 1 339.863 3.672 20 10 EHCDMN COc1ccccc1N1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000264941681 1138681216 /nfs/dbraw/zinc/68/12/16/1138681216.db2.gz GQDHFZOTYCZKGG-UHFFFAOYSA-N 0 1 346.858 3.813 20 10 EHCDMN CN(c1ccc(CNCc2ccc(CO)o2)cc1)C1CCCCC1 ZINC000174321650 1139414058 /nfs/dbraw/zinc/41/40/58/1139414058.db2.gz LAZOQKDICMNQBS-UHFFFAOYSA-N 0 1 328.456 3.831 20 10 EHCDMN Cc1cc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c(C)n1-c1ccccc1 ZINC000181178108 1139890042 /nfs/dbraw/zinc/89/00/42/1139890042.db2.gz LKSMZJDRVFOLOQ-SFHVURJKSA-N 0 1 349.438 3.580 20 10 EHCDMN Cc1cc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c(C)n1-c1ccccc1 ZINC000181178090 1139890272 /nfs/dbraw/zinc/89/02/72/1139890272.db2.gz LKSMZJDRVFOLOQ-GOSISDBHSA-N 0 1 349.438 3.580 20 10 EHCDMN C[C@H](NCc1ccc(Cl)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182112265 1139951327 /nfs/dbraw/zinc/95/13/27/1139951327.db2.gz MWJHIQCUJPVUHR-ZDUSSCGKSA-N 0 1 349.837 3.562 20 10 EHCDMN CSCC[C@H](N[C@@H](C)c1ccccc1O)c1nnc2ccccn21 ZINC000183392181 1140034410 /nfs/dbraw/zinc/03/44/10/1140034410.db2.gz XVIHFQPMNJRQJA-ZFWWWQNUSA-N 0 1 342.468 3.580 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)ccc1[O-] ZINC000186136125 1140188207 /nfs/dbraw/zinc/18/82/07/1140188207.db2.gz JMZAHWSJLVJOPE-AXAPSJFSSA-N 0 1 327.877 3.751 20 10 EHCDMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccn1 ZINC000270881310 1141279672 /nfs/dbraw/zinc/27/96/72/1141279672.db2.gz FLRIVFUEWKEILJ-BZUAXINKSA-N 0 1 343.446 3.685 20 10 EHCDMN CC(C)c1nc(C2CC[NH+](Cc3c([O-])cccc3Cl)CC2)no1 ZINC000271154380 1141314823 /nfs/dbraw/zinc/31/48/23/1141314823.db2.gz GQQZZOFCWCJADV-UHFFFAOYSA-N 0 1 335.835 3.932 20 10 EHCDMN CC[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(Br)ccc1[O-] ZINC000020125828 212103827 /nfs/dbraw/zinc/10/38/27/212103827.db2.gz QZZHOXXFVBPTJF-ZDUSSCGKSA-N 0 1 329.282 3.536 20 10 EHCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000844936576 955682473 /nfs/dbraw/zinc/68/24/73/955682473.db2.gz JHHGJGVLRVCBKM-QGZVFWFLSA-N 0 1 332.469 3.680 20 10 EHCDMN Cc1cc(O)c(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594326336 958175959 /nfs/dbraw/zinc/17/59/59/958175959.db2.gz BKLYZFVWDHGTAV-CQSZACIVSA-N 0 1 331.799 3.538 20 10 EHCDMN C[C@H](Cc1ccsc1)[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001592906373 979844550 /nfs/dbraw/zinc/84/45/50/979844550.db2.gz MEWLDZVBSIZZOL-LLVKDONJSA-N 0 1 339.844 3.625 20 10 EHCDMN CC(C)[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728196103 1014943107 /nfs/dbraw/zinc/94/31/07/1014943107.db2.gz PLQZSEWPYPZTDR-UHFFFAOYSA-N 0 1 325.408 3.702 20 10 EHCDMN CCOc1cccc(CNCc2nc3cc(Cl)ccc3n2C)c1O ZINC000275047761 1015811501 /nfs/dbraw/zinc/81/15/01/1015811501.db2.gz JJXAMPWHNSHNGX-UHFFFAOYSA-N 0 1 345.830 3.621 20 10 EHCDMN CCN(Cc1cncc(F)c1)Cc1cc(Br)ccc1O ZINC000275096984 1015988476 /nfs/dbraw/zinc/98/84/76/1015988476.db2.gz AZUDGUHWEOGJEA-UHFFFAOYSA-N 0 1 339.208 3.711 20 10 EHCDMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001593731200 996301102 /nfs/dbraw/zinc/30/11/02/996301102.db2.gz DCXLUUORZYPOOS-CYBMUJFWSA-N 0 1 345.468 3.635 20 10 EHCDMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001593731200 996301104 /nfs/dbraw/zinc/30/11/04/996301104.db2.gz DCXLUUORZYPOOS-CYBMUJFWSA-N 0 1 345.468 3.635 20 10 EHCDMN CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000275299913 1016335970 /nfs/dbraw/zinc/33/59/70/1016335970.db2.gz HUXWTRDRVQINFR-LBPRGKRZSA-N 0 1 341.293 3.598 20 10 EHCDMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000183381559 1032165054 /nfs/dbraw/zinc/16/50/54/1032165054.db2.gz GDLHTQZIWXJLBY-ZDUSSCGKSA-N 0 1 342.830 3.819 20 10 EHCDMN Cc1csc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000162286468 1017779978 /nfs/dbraw/zinc/77/99/78/1017779978.db2.gz PPHUGMUOZGNXKD-GJZGRUSLSA-N 0 1 331.485 3.700 20 10 EHCDMN COc1cc(Cl)cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1O ZINC000325635929 1018116007 /nfs/dbraw/zinc/11/60/07/1018116007.db2.gz YCUZLQAGUHYHLP-KRWDZBQOSA-N 0 1 346.858 3.543 20 10 EHCDMN COc1cc(Cl)cc(CN2CCN(C)C[C@H]2c2ccccc2)c1O ZINC000325635929 1018116013 /nfs/dbraw/zinc/11/60/13/1018116013.db2.gz YCUZLQAGUHYHLP-KRWDZBQOSA-N 0 1 346.858 3.543 20 10 EHCDMN Cc1nc([C@H](C)NCc2ccc3c(c2)CCN3Cc2ccccc2)n[nH]1 ZINC000894774881 1022874050 /nfs/dbraw/zinc/87/40/50/1022874050.db2.gz YXFYFGHBTWHABD-HNNXBMFYSA-N 0 1 347.466 3.527 20 10 EHCDMN CCC(=O)N1CCc2ccc(NCc3ccc(F)c(F)c3O)cc21 ZINC000897766163 1033156164 /nfs/dbraw/zinc/15/61/64/1033156164.db2.gz FZEUNMIFBXNLEW-UHFFFAOYSA-N 0 1 332.350 3.582 20 10 EHCDMN CN(C(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1)c1ccccc1 ZINC000281072557 1024275289 /nfs/dbraw/zinc/27/52/89/1024275289.db2.gz INRRCEVXGYRYNX-OAHLLOKOSA-N 0 1 344.842 3.531 20 10 EHCDMN COc1cccc(-c2cc(CNCc3ccc(N(C)C)cc3)on2)c1 ZINC000897841274 1033205295 /nfs/dbraw/zinc/20/52/95/1033205295.db2.gz MQURXOZOJXZNAC-UHFFFAOYSA-N 0 1 337.423 3.706 20 10 EHCDMN CN(C)c1ccc(CN(CC[S@@](=O)c2ccccc2)C2CC2)cc1 ZINC000729542311 1024547328 /nfs/dbraw/zinc/54/73/28/1024547328.db2.gz DIJDLOOYFDYSQR-XMMPIXPASA-N 0 1 342.508 3.525 20 10 EHCDMN CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@H+]2Cc3cccc(O)c3C2)C1 ZINC000895784199 1024828929 /nfs/dbraw/zinc/82/89/29/1024828929.db2.gz DWZXWMWKVACDRS-FQEVSTJZSA-N 0 1 346.471 3.745 20 10 EHCDMN COC1(OC)CC2(C[N@H+](Cc3cc(Cl)ccc3[O-])[C@H]2C(C)C)C1 ZINC000895996938 1025051094 /nfs/dbraw/zinc/05/10/94/1025051094.db2.gz VRXICYLPOHKGOZ-INIZCTEOSA-N 0 1 339.863 3.655 20 10 EHCDMN COC1(OC)CC2(C[N@@H+](Cc3cc(Cl)ccc3[O-])[C@H]2C(C)C)C1 ZINC000895996938 1025051100 /nfs/dbraw/zinc/05/11/00/1025051100.db2.gz VRXICYLPOHKGOZ-INIZCTEOSA-N 0 1 339.863 3.655 20 10 EHCDMN COc1ccc(CN[C@H]2c3ccccc3CC[C@H]2F)c(O)c1OC ZINC000896031337 1025087083 /nfs/dbraw/zinc/08/70/83/1025087083.db2.gz QOPKMVDPPCZFCL-WBVHZDCISA-N 0 1 331.387 3.525 20 10 EHCDMN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000721835674 1025960655 /nfs/dbraw/zinc/96/06/55/1025960655.db2.gz HMXCUDRIXQSSTE-ZFWWWQNUSA-N 0 1 342.277 3.838 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000897070424 1026297467 /nfs/dbraw/zinc/29/74/67/1026297467.db2.gz HZZFYEFXJCOKLC-CQSZACIVSA-N 0 1 333.229 3.717 20 10 EHCDMN CC(C)CNC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176677851 1026452374 /nfs/dbraw/zinc/45/23/74/1026452374.db2.gz XLHSXCQTLGEGMP-QGZVFWFLSA-N 0 1 340.467 3.728 20 10 EHCDMN CC1CCN(c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cn2)CC1 ZINC000113323237 1026547459 /nfs/dbraw/zinc/54/74/59/1026547459.db2.gz JSYGTYHKDBSTAY-UHFFFAOYSA-N 0 1 345.874 3.967 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1O ZINC000897269457 1026620713 /nfs/dbraw/zinc/62/07/13/1026620713.db2.gz GFKBPWFYHMCEHE-CQSZACIVSA-N 0 1 339.863 3.693 20 10 EHCDMN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192935223 1026645411 /nfs/dbraw/zinc/64/54/11/1026645411.db2.gz HIFPWTDNPMIFRW-INIZCTEOSA-N 0 1 330.859 3.657 20 10 EHCDMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000127125756 1027275847 /nfs/dbraw/zinc/27/58/47/1027275847.db2.gz DMMRMKFYBUJEAW-ZDUSSCGKSA-N 0 1 342.830 3.819 20 10 EHCDMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000127125756 1027275855 /nfs/dbraw/zinc/27/58/55/1027275855.db2.gz DMMRMKFYBUJEAW-ZDUSSCGKSA-N 0 1 342.830 3.819 20 10 EHCDMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000127125756 1027275866 /nfs/dbraw/zinc/27/58/66/1027275866.db2.gz DMMRMKFYBUJEAW-ZDUSSCGKSA-N 0 1 342.830 3.819 20 10 EHCDMN C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc(Cl)ccc1[O-] ZINC000273359182 1027393179 /nfs/dbraw/zinc/39/31/79/1027393179.db2.gz AANRMAYMYNDCLA-GFCCVEGCSA-N 0 1 344.842 3.789 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(Br)ccc1[O-] ZINC000273455166 1027436362 /nfs/dbraw/zinc/43/63/62/1027436362.db2.gz GWEZVTWNZZTBRC-AAEUAGOBSA-N 0 1 340.261 3.907 20 10 EHCDMN C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(Br)cc1[O-] ZINC000273526033 1027475486 /nfs/dbraw/zinc/47/54/86/1027475486.db2.gz VIZDGIHCYXOSEE-LLVKDONJSA-N 0 1 330.266 3.604 20 10 EHCDMN C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000273583385 1027504466 /nfs/dbraw/zinc/50/44/66/1027504466.db2.gz NCUWCZIALZNULN-NHYWBVRUSA-N 0 1 336.229 3.539 20 10 EHCDMN C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000327152315 1027721570 /nfs/dbraw/zinc/72/15/70/1027721570.db2.gz VFCQDFLRDXDQFA-OAHLLOKOSA-N 0 1 334.419 3.512 20 10 EHCDMN CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708147350 1028203684 /nfs/dbraw/zinc/20/36/84/1028203684.db2.gz YWQLOAUURGMGTJ-LBPRGKRZSA-N 0 1 348.668 3.809 20 10 EHCDMN CC(C)(C)n1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000160207852 1030599245 /nfs/dbraw/zinc/59/92/45/1030599245.db2.gz VHYIVXMQAKJONW-GOSISDBHSA-N 0 1 343.471 3.525 20 10 EHCDMN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000527923798 1031415106 /nfs/dbraw/zinc/41/51/06/1031415106.db2.gz FGVIQBFVFYXPTF-VXGBXAGGSA-N 0 1 328.250 3.622 20 10 EHCDMN C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cc(Br)ccc1[O-] ZINC000528003478 1031568602 /nfs/dbraw/zinc/56/86/02/1031568602.db2.gz OKSWOOAELODWPH-DMZJWBPISA-N 0 1 328.250 3.617 20 10 EHCDMN CN(C)c1ccc(CN(C)Cc2cccc(=O)[nH]2)c(C(F)(F)F)c1 ZINC000897392337 1032030664 /nfs/dbraw/zinc/03/06/64/1032030664.db2.gz XWXGODFBLGHYSX-UHFFFAOYSA-N 0 1 339.361 3.504 20 10 EHCDMN CC[C@H]([NH2+]CC1CCC(O)CC1)c1cc(Br)ccc1[O-] ZINC000227634952 1034106412 /nfs/dbraw/zinc/10/64/12/1034106412.db2.gz CYPUGWCNXMZBFT-HGMXIMQMSA-N 0 1 342.277 3.747 20 10 EHCDMN CC[C@H]([NH2+]CC(CC)(CC)CO)c1cc(Br)ccc1[O-] ZINC000229564590 1034256923 /nfs/dbraw/zinc/25/69/23/1034256923.db2.gz NEAXEXKHXJJIMI-AWEZNQCLSA-N 0 1 344.293 3.994 20 10 EHCDMN C[C@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1O ZINC000186631770 1035676260 /nfs/dbraw/zinc/67/62/60/1035676260.db2.gz RWLPKWOKGULMFC-DJJJIMSYSA-N 0 1 325.387 3.705 20 10 EHCDMN [O-]c1cc(Br)cc(F)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001233032237 1036282077 /nfs/dbraw/zinc/28/20/77/1036282077.db2.gz WZKWHDSNVGSMIE-GFCCVEGCSA-N 0 1 336.151 3.525 20 10 EHCDMN C[C@H](NCc1c(O)ccc(Cl)c1F)c1cn(-c2ccccc2)nn1 ZINC000191332724 1036368102 /nfs/dbraw/zinc/36/81/02/1036368102.db2.gz NHYPGTNTWYBEJC-NSHDSACASA-N 0 1 346.793 3.616 20 10 EHCDMN CCn1c(CN[C@H](C)c2cc(OC)ccc2O)nc2cc(F)ccc21 ZINC000182379894 1038590051 /nfs/dbraw/zinc/59/00/51/1038590051.db2.gz RIUJXKNQKYYHDR-GFCCVEGCSA-N 0 1 343.402 3.760 20 10 EHCDMN COc1cc(C)cc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c1O ZINC000164204734 1041219802 /nfs/dbraw/zinc/21/98/02/1041219802.db2.gz MPZZYCSCLLERPF-BEFAXECRSA-N 0 1 327.424 3.671 20 10 EHCDMN COc1cc(C)cc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1O ZINC000164191783 1041222794 /nfs/dbraw/zinc/22/27/94/1041222794.db2.gz DQWMNWFCXZYJRA-SFHVURJKSA-N 0 1 347.842 3.936 20 10 EHCDMN COc1cc(C)cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1O ZINC000164191913 1041222894 /nfs/dbraw/zinc/22/28/94/1041222894.db2.gz DQWMNWFCXZYJRA-GOSISDBHSA-N 0 1 347.842 3.936 20 10 EHCDMN CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756606244 1041229327 /nfs/dbraw/zinc/22/93/27/1041229327.db2.gz XACCMCFLMOFYRQ-WBMJQRKESA-N 0 1 344.293 3.993 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cc1Cl ZINC001658652552 1126262755 /nfs/dbraw/zinc/26/27/55/1126262755.db2.gz FPIBHAHQENPNAQ-GOSISDBHSA-N 0 1 337.822 3.576 20 10 EHCDMN Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000073007263 1126969533 /nfs/dbraw/zinc/96/95/33/1126969533.db2.gz JCYAPZKKTQPIIK-MRVPVSSYSA-N 0 1 325.206 3.610 20 10 EHCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C12CCC2 ZINC000763229836 1121915098 /nfs/dbraw/zinc/91/50/98/1121915098.db2.gz DGOVEXZWNGXODM-OALUTQOASA-N 0 1 326.440 3.720 20 10 EHCDMN CCO[C@H]1C[C@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C12CCC2 ZINC000763229836 1121915107 /nfs/dbraw/zinc/91/51/07/1121915107.db2.gz DGOVEXZWNGXODM-OALUTQOASA-N 0 1 326.440 3.720 20 10 EHCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C12CCC2 ZINC000763229836 1121915116 /nfs/dbraw/zinc/91/51/16/1121915116.db2.gz DGOVEXZWNGXODM-OALUTQOASA-N 0 1 326.440 3.720 20 10 EHCDMN COc1cc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)cc(OC)c1 ZINC000919956297 1123245888 /nfs/dbraw/zinc/24/58/88/1123245888.db2.gz IQWPBARKHGIYGD-UHFFFAOYSA-N 0 1 338.407 3.590 20 10 EHCDMN COc1cc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)cc(OC)c1 ZINC000919956297 1123245891 /nfs/dbraw/zinc/24/58/91/1123245891.db2.gz IQWPBARKHGIYGD-UHFFFAOYSA-N 0 1 338.407 3.590 20 10 EHCDMN O=C(C[NH2+]Cc1cc(Cl)ccc1[O-])Nc1cccc2ccccc21 ZINC000732230829 1130903328 /nfs/dbraw/zinc/90/33/28/1130903328.db2.gz BULYDFGGWJQTBA-UHFFFAOYSA-N 0 1 340.810 3.927 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000742716062 1131785074 /nfs/dbraw/zinc/78/50/74/1131785074.db2.gz VMKUTSUECIHCFT-RHSMWYFYSA-N 0 1 341.785 3.926 20 10 EHCDMN Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)c(C)n1-c1ccccn1 ZINC000743940234 1132000814 /nfs/dbraw/zinc/00/08/14/1132000814.db2.gz FMIJHHWJUUCQIQ-UHFFFAOYSA-N 0 1 331.379 3.618 20 10 EHCDMN CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001173655126 1132123263 /nfs/dbraw/zinc/12/32/63/1132123263.db2.gz XGAFLOVAUKMBKH-RDTXWAMCSA-N 0 1 327.424 3.757 20 10 EHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)C2CC2)C1 ZINC000766854027 1132872088 /nfs/dbraw/zinc/87/20/88/1132872088.db2.gz KEHYIUTWDNQVNQ-OAHLLOKOSA-N 0 1 340.467 3.750 20 10 EHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)C2CC2)C1 ZINC000766854027 1132872093 /nfs/dbraw/zinc/87/20/93/1132872093.db2.gz KEHYIUTWDNQVNQ-OAHLLOKOSA-N 0 1 340.467 3.750 20 10 EHCDMN Cc1cccn2c(CN(Cc3ccc(N(C)C)cc3)C3CC3)cnc12 ZINC000768256326 1133118060 /nfs/dbraw/zinc/11/80/60/1133118060.db2.gz CFDVIQNLYCXLSF-UHFFFAOYSA-N 0 1 334.467 3.873 20 10 EHCDMN CCOc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(O)c1 ZINC000768334800 1133126353 /nfs/dbraw/zinc/12/63/53/1133126353.db2.gz OVPFRXKJGOFVJT-UHFFFAOYSA-N 0 1 342.395 3.864 20 10 EHCDMN CCOCc1cc(CNCc2cc(F)cc(OC)c2)ccc1OC ZINC001178207489 1133142510 /nfs/dbraw/zinc/14/25/10/1133142510.db2.gz 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3.888 20 10 EHCDMN CCN(CC)c1ccc(CN2CC[C@@H](n3cc(C)cn3)C2)cc1F ZINC000811518145 1136098145 /nfs/dbraw/zinc/09/81/45/1136098145.db2.gz HWHIWIPPHQRTTD-QGZVFWFLSA-N 0 1 330.451 3.624 20 10 EHCDMN CO[C@@](C)(C[NH2+][C@H](C)c1cc(Br)ccc1[O-])C1CC1 ZINC000812734452 1136239323 /nfs/dbraw/zinc/23/93/23/1136239323.db2.gz MRJWYJZLJOCAEF-BMIGLBTASA-N 0 1 328.250 3.620 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cnc(C(F)(F)F)nc2)cc1 ZINC000850344956 1136238507 /nfs/dbraw/zinc/23/85/07/1136238507.db2.gz CXPWKSFLYQQEFP-UHFFFAOYSA-N 0 1 338.377 3.631 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000850482475 1136267742 /nfs/dbraw/zinc/26/77/42/1136267742.db2.gz SMERBOXBAFTQKC-WCQYABFASA-N 0 1 341.293 3.678 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(Br)ccc1[O-] ZINC000850533657 1136280539 /nfs/dbraw/zinc/28/05/39/1136280539.db2.gz ATXDZKNXTCJIPJ-MDZLAQPJSA-N 0 1 328.250 3.763 20 10 EHCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ncccc1F ZINC000813684647 1136356131 /nfs/dbraw/zinc/35/61/31/1136356131.db2.gz UCHXVIMMCMUAFL-MRVPVSSYSA-N 0 1 343.185 3.653 20 10 EHCDMN CCN(C)c1ccc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000851707246 1136400291 /nfs/dbraw/zinc/40/02/91/1136400291.db2.gz YBKRGDLQIYBESR-AZUAARDMSA-N 0 1 344.499 3.998 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])Cc2ccccc2O1 ZINC000814177896 1136411323 /nfs/dbraw/zinc/41/13/23/1136411323.db2.gz TYWRWPGNHYPKHU-GFCCVEGCSA-N 0 1 348.240 3.938 20 10 EHCDMN CCOc1cccc(CN[C@@H]2CCc3ccccc3-n3ccnc32)c1O ZINC000853093614 1136508559 /nfs/dbraw/zinc/50/85/59/1136508559.db2.gz HBZYCWJUFUOERD-QGZVFWFLSA-N 0 1 349.434 3.754 20 10 EHCDMN CCn1nccc1CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000853239322 1136520688 /nfs/dbraw/zinc/52/06/88/1136520688.db2.gz FHAHALQMYZEEIN-OAHLLOKOSA-N 0 1 330.451 3.883 20 10 EHCDMN COc1cc2c(cc1OC)CN(Cc1ccc(N(C)C)c(C)c1)CC2 ZINC000815013896 1136537660 /nfs/dbraw/zinc/53/76/60/1136537660.db2.gz YYNFFLHUAHCJJA-UHFFFAOYSA-N 0 1 340.467 3.637 20 10 EHCDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])n[nH]1 ZINC000815597049 1136616935 /nfs/dbraw/zinc/61/69/35/1136616935.db2.gz LJFLUYZPNSMSDG-GXSJLCMTSA-N 0 1 327.350 3.724 20 10 EHCDMN Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)c2n1 ZINC000776750861 1136632922 /nfs/dbraw/zinc/63/29/22/1136632922.db2.gz LZEOUPFWCOHMQN-UHFFFAOYSA-N 0 1 348.811 3.703 20 10 EHCDMN [O-]c1c(C[NH2+]CCOCC(F)(F)C(F)F)ccc2ccccc21 ZINC000816592324 1136735434 /nfs/dbraw/zinc/73/54/34/1136735434.db2.gz GXMNFMQWBLTCKB-UHFFFAOYSA-N 0 1 331.309 3.552 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@H](O)c2c(F)cccc2F)ccc2ccccc12 ZINC000816552696 1136735920 /nfs/dbraw/zinc/73/59/20/1136735920.db2.gz SXZSPJPGEYMZBU-KRWDZBQOSA-N 0 1 329.346 3.647 20 10 EHCDMN CO[C@@H](C)c1nc(CNCc2ccc3ccccc3c2O)cs1 ZINC000816555721 1136736341 /nfs/dbraw/zinc/73/63/41/1136736341.db2.gz OFEXORXAIBNREJ-LBPRGKRZSA-N 0 1 328.437 3.999 20 10 EHCDMN Cc1ccc2c(c1C)OC[C@H]2NCc1c(O)cccc1Br ZINC000858129510 1136942420 /nfs/dbraw/zinc/94/24/20/1136942420.db2.gz LYWXDEXYANDZEP-OAHLLOKOSA-N 0 1 348.240 3.995 20 10 EHCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Br)CC1(Cl)Cl ZINC000858172780 1136946451 /nfs/dbraw/zinc/94/64/51/1136946451.db2.gz GEWVLINWFVROFH-NSHDSACASA-N 0 1 339.060 3.828 20 10 EHCDMN CC(C)[C@@H](O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858193166 1136948866 /nfs/dbraw/zinc/94/88/66/1136948866.db2.gz VOSCOKUWDNJMHH-VQTJNVASSA-N 0 1 348.437 3.879 20 10 EHCDMN Cc1cc(CNCc2cnn(CC(F)F)c2)c(C)n1-c1ccccc1 ZINC000858294613 1136955964 /nfs/dbraw/zinc/95/59/64/1136955964.db2.gz KIHQVUJLULUSMB-UHFFFAOYSA-N 0 1 344.409 3.846 20 10 EHCDMN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnn3)C1)oc1ccccc12 ZINC000819898328 1136965581 /nfs/dbraw/zinc/96/55/81/1136965581.db2.gz WWVUPOZZYMBOOC-HNNXBMFYSA-N 0 1 348.406 3.720 20 10 EHCDMN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](n3ccnn3)C1)oc1ccccc12 ZINC000819898328 1136965584 /nfs/dbraw/zinc/96/55/84/1136965584.db2.gz WWVUPOZZYMBOOC-HNNXBMFYSA-N 0 1 348.406 3.720 20 10 EHCDMN Cc1cnc(CC[N@@H+](C)Cc2c([O-])cccc2Br)s1 ZINC000862249788 1137135066 /nfs/dbraw/zinc/13/50/66/1137135066.db2.gz COROLKVIYGZZTD-UHFFFAOYSA-N 0 1 341.274 3.594 20 10 EHCDMN Cc1cnc(CC[N@H+](C)Cc2c([O-])cccc2Br)s1 ZINC000862249788 1137135067 /nfs/dbraw/zinc/13/50/67/1137135067.db2.gz COROLKVIYGZZTD-UHFFFAOYSA-N 0 1 341.274 3.594 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CCCN(c3nccs3)CC2)cc1Cl ZINC000824621620 1137146825 /nfs/dbraw/zinc/14/68/25/1137146825.db2.gz UOHKJLREDYIFRG-UHFFFAOYSA-N 0 1 337.876 3.523 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CCCN(c3nccs3)CC2)cc1Cl ZINC000824621620 1137146826 /nfs/dbraw/zinc/14/68/26/1137146826.db2.gz UOHKJLREDYIFRG-UHFFFAOYSA-N 0 1 337.876 3.523 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824695945 1137148851 /nfs/dbraw/zinc/14/88/51/1137148851.db2.gz FEOBNIAEQCAEFU-NUEKZKHPSA-N 0 1 327.827 3.700 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000824877266 1137157036 /nfs/dbraw/zinc/15/70/36/1137157036.db2.gz LLHHOHSFVUVYQU-UHFFFAOYSA-N 0 1 340.261 3.546 20 10 EHCDMN c1coc([C@@H]2N(Cc3ccc(N4CCOCC4)cc3)CC23CCC3)c1 ZINC000825104373 1137163541 /nfs/dbraw/zinc/16/35/41/1137163541.db2.gz VJTBMPCMWLMLTI-FQEVSTJZSA-N 0 1 338.451 3.843 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(N3CCCC3=O)c2)cc1Cl ZINC000825108265 1137165711 /nfs/dbraw/zinc/16/57/11/1137165711.db2.gz SJHKNSUKVUPEIL-UHFFFAOYSA-N 0 1 344.842 3.771 20 10 EHCDMN C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825247857 1137170580 /nfs/dbraw/zinc/17/05/80/1137170580.db2.gz YEQPYFCOASAIDQ-LLVKDONJSA-N 0 1 336.229 3.581 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000825255007 1137170754 /nfs/dbraw/zinc/17/07/54/1137170754.db2.gz WTPBVTFLPQUGDP-AWEZNQCLSA-N 0 1 334.213 3.637 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1Cl ZINC000825405011 1137177025 /nfs/dbraw/zinc/17/70/25/1137177025.db2.gz ALTSRPPIOXEXBQ-HNNXBMFYSA-N 0 1 326.223 3.831 20 10 EHCDMN CC[C@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000794824185 1137267513 /nfs/dbraw/zinc/26/75/13/1137267513.db2.gz IMDSNTMFOPJGCS-FZMZJTMJSA-N 0 1 342.867 4.000 20 10 EHCDMN C[C@@H]1CCN(Cc2cc(Br)c(F)cc2O)CC1(F)F ZINC001144298483 1137268508 /nfs/dbraw/zinc/26/85/08/1137268508.db2.gz DPJNGHDSSQOIJL-MRVPVSSYSA-N 0 1 338.167 3.771 20 10 EHCDMN C[C@@]1(F)CCN(Cc2cc(Br)c(F)cc2O)C[C@@H]1F ZINC001144298508 1137268640 /nfs/dbraw/zinc/26/86/40/1137268640.db2.gz FAURMTWAKQPJPG-QWHCGFSZSA-N 0 1 338.167 3.566 20 10 EHCDMN CN(C)c1ccc(CN[C@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000865655062 1137302071 /nfs/dbraw/zinc/30/20/71/1137302071.db2.gz ZSVALTKLAXUOBD-QGZVFWFLSA-N 0 1 338.373 3.595 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866533793 1137362398 /nfs/dbraw/zinc/36/23/98/1137362398.db2.gz VWMHTEOKKRFWMD-ZBFHGGJFSA-N 0 1 339.863 3.672 20 10 EHCDMN CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nc(C(=O)[O-])cs2)cc1 ZINC000846778311 1137365048 /nfs/dbraw/zinc/36/50/48/1137365048.db2.gz HFNYERAMOKENKK-LBPRGKRZSA-N 0 1 333.457 3.538 20 10 EHCDMN CCOCc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000873183963 1137592878 /nfs/dbraw/zinc/59/28/78/1137592878.db2.gz TVJVCWLOTOWOLI-AWEZNQCLSA-N 0 1 344.411 3.991 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000825893423 1137659269 /nfs/dbraw/zinc/65/92/69/1137659269.db2.gz ZMDYEKHBWPUBQB-UHFFFAOYSA-N 0 1 347.256 3.761 20 10 EHCDMN C[C@H]1CN(c2ccc(NCc3ccc(F)c(F)c3O)cc2)C[C@H](C)O1 ZINC000876854368 1137663661 /nfs/dbraw/zinc/66/36/61/1137663661.db2.gz RQHRVKXOPIADIA-STQMWFEESA-N 0 1 348.393 3.896 20 10 EHCDMN CC(=O)N(Cc1ccc(NCc2ccc(F)c(F)c2O)cc1)C1CC1 ZINC000876862377 1137664076 /nfs/dbraw/zinc/66/40/76/1137664076.db2.gz MHMXXZVFWGGMLN-UHFFFAOYSA-N 0 1 346.377 3.793 20 10 EHCDMN CCCOc1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000877171855 1137672236 /nfs/dbraw/zinc/67/22/36/1137672236.db2.gz GSVZMHZOTMRWLL-NTKDMRAZSA-N 0 1 345.508 3.993 20 10 EHCDMN COC(=O)C(C)(C)c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877172346 1137672324 /nfs/dbraw/zinc/67/23/24/1137672324.db2.gz PDIPAMNDNORPGN-UHFFFAOYSA-N 0 1 335.350 3.733 20 10 EHCDMN C[C@]1(C[NH2+]Cc2ccc(Br)cc2[O-])CC1(Cl)Cl ZINC000826053885 1137721467 /nfs/dbraw/zinc/72/14/67/1137721467.db2.gz OMITYNKIXHZCBK-LLVKDONJSA-N 0 1 339.060 3.828 20 10 EHCDMN Oc1cc(Br)ccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000826099638 1137740772 /nfs/dbraw/zinc/74/07/72/1137740772.db2.gz FRLDWYTXQIKPEM-HNNXBMFYSA-N 0 1 342.302 3.874 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000826099638 1137740773 /nfs/dbraw/zinc/74/07/73/1137740773.db2.gz FRLDWYTXQIKPEM-HNNXBMFYSA-N 0 1 342.302 3.874 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000826099638 1137740774 /nfs/dbraw/zinc/74/07/74/1137740774.db2.gz FRLDWYTXQIKPEM-HNNXBMFYSA-N 0 1 342.302 3.874 20 10 EHCDMN C[C@@H](N[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccc1O ZINC000879648756 1137753564 /nfs/dbraw/zinc/75/35/64/1137753564.db2.gz CPDIPEPWFJDUKX-OXQOHEQNSA-N 0 1 338.451 3.797 20 10 EHCDMN C[C@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccc1O ZINC000879651594 1137753832 /nfs/dbraw/zinc/75/38/32/1137753832.db2.gz CPDIPEPWFJDUKX-JXFKEZNVSA-N 0 1 338.451 3.797 20 10 EHCDMN CSc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000882923382 1137838655 /nfs/dbraw/zinc/83/86/55/1137838655.db2.gz DMWXKUOOQLRRGY-AWEZNQCLSA-N 0 1 332.469 3.689 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(Cl)cc1[O-] ZINC000883263686 1137851374 /nfs/dbraw/zinc/85/13/74/1137851374.db2.gz CMJPHORJEXKYAK-UKRRQHHQSA-N 0 1 339.863 3.672 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cc(Cl)ccc1[O-] ZINC000883263569 1137851463 /nfs/dbraw/zinc/85/14/63/1137851463.db2.gz ZJAIIFWFZXKJJX-DZGCQCFKSA-N 0 1 339.863 3.672 20 10 EHCDMN Cc1coc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000885927713 1138025538 /nfs/dbraw/zinc/02/55/38/1138025538.db2.gz WDCOYYLGRNIXFV-HUUCEWRRSA-N 0 1 332.419 3.631 20 10 EHCDMN CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000886789346 1138140912 /nfs/dbraw/zinc/14/09/12/1138140912.db2.gz SMZXVMMCYKNAFX-RCBQFDQVSA-N 0 1 327.852 3.528 20 10 EHCDMN C[C@@H](NCc1cccc2c1OCCCO2)c1ccc(N(C)C)cc1 ZINC000090546744 1138211775 /nfs/dbraw/zinc/21/17/75/1138211775.db2.gz AENIHWLFKFVMQJ-OAHLLOKOSA-N 0 1 326.440 3.765 20 10 EHCDMN CCCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c(O)c1 ZINC000123068952 1138265960 /nfs/dbraw/zinc/26/59/60/1138265960.db2.gz XZVOYQYMPBSJGR-QGZVFWFLSA-N 0 1 329.444 3.523 20 10 EHCDMN COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000178316174 1139686956 /nfs/dbraw/zinc/68/69/56/1139686956.db2.gz WSMUKYBXOJTLIW-AWEZNQCLSA-N 0 1 344.455 3.629 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H](C)c2nccs2)c1[O-] ZINC000183994369 1140072528 /nfs/dbraw/zinc/07/25/28/1140072528.db2.gz HGFNHGDQELPTDZ-JTQLQIEISA-N 0 1 338.860 3.940 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1[O-] ZINC000185058960 1140134800 /nfs/dbraw/zinc/13/48/00/1140134800.db2.gz KJMMVEXVAJOPSB-WDEREUQCSA-N 0 1 336.785 3.580 20 10 EHCDMN CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185337960 1140145696 /nfs/dbraw/zinc/14/56/96/1140145696.db2.gz FLESDKSAYCIZQK-GFCCVEGCSA-N 0 1 332.831 3.897 20 10 EHCDMN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185825708 1140172367 /nfs/dbraw/zinc/17/23/67/1140172367.db2.gz HSSWMBVZAGVOAJ-PXAZEXFGSA-N 0 1 335.831 3.829 20 10 EHCDMN C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000186151583 1140188830 /nfs/dbraw/zinc/18/88/30/1140188830.db2.gz QVZSZHPOHRQPLL-MRVPVSSYSA-N 0 1 333.741 3.649 20 10 EHCDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n[nH]1 ZINC000271543414 1141393626 /nfs/dbraw/zinc/39/36/26/1141393626.db2.gz RDANAQPIIGXKDR-KBPBESRZSA-N 0 1 345.466 3.908 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CCCN1CC)c1cc(Br)ccc1[O-] ZINC000019960308 212090331 /nfs/dbraw/zinc/09/03/31/212090331.db2.gz AEARQNFXZGWVKQ-ZFWWWQNUSA-N 0 1 341.293 3.680 20 10 EHCDMN O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000739638888 599840395 /nfs/dbraw/zinc/84/03/95/599840395.db2.gz DKVLUSITXVEPMW-ZDUSSCGKSA-N 0 1 343.423 3.846 20 10 EHCDMN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000736293764 600077246 /nfs/dbraw/zinc/07/72/46/600077246.db2.gz GGNQETIIJZFTFB-UHFFFAOYSA-N 0 1 341.407 3.609 20 10 EHCDMN CC(C)(C)c1cc(O)c(O)c(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000736293764 600077247 /nfs/dbraw/zinc/07/72/47/600077247.db2.gz GGNQETIIJZFTFB-UHFFFAOYSA-N 0 1 341.407 3.609 20 10 EHCDMN CC(C)[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])CC1CC1 ZINC000728195694 1014940562 /nfs/dbraw/zinc/94/05/62/1014940562.db2.gz MNCAJAPUIXPIIW-UHFFFAOYSA-N 0 1 339.435 3.949 20 10 EHCDMN CC(C)[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])CC1CC1 ZINC000728195694 1014940569 /nfs/dbraw/zinc/94/05/69/1014940569.db2.gz MNCAJAPUIXPIIW-UHFFFAOYSA-N 0 1 339.435 3.949 20 10 EHCDMN CC[C@@H](N[C@@H](CC)c1nnc2n1CCCCC2)c1ccccc1O ZINC000274882392 1015566732 /nfs/dbraw/zinc/56/67/32/1015566732.db2.gz HTQCHLZHBYEUDN-CVEARBPZSA-N 0 1 328.460 3.902 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H]1c1cccnc1 ZINC000377088340 1017315276 /nfs/dbraw/zinc/31/52/76/1017315276.db2.gz IBZSPEITQXOJGA-QWHCGFSZSA-N 0 1 337.206 3.514 20 10 EHCDMN CC(C)CCO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707141366 1021258074 /nfs/dbraw/zinc/25/80/74/1021258074.db2.gz DDXGZMPNUPUOEQ-CYBMUJFWSA-N 0 1 342.277 3.792 20 10 EHCDMN CC(C)CCO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707141366 1021258086 /nfs/dbraw/zinc/25/80/86/1021258086.db2.gz DDXGZMPNUPUOEQ-CYBMUJFWSA-N 0 1 342.277 3.792 20 10 EHCDMN CC(C)n1cc(C2=CCC[N@@H+](Cc3cc(F)cc(F)c3[O-])CC2)nn1 ZINC000894895004 1021894099 /nfs/dbraw/zinc/89/40/99/1021894099.db2.gz MRYGKGKIHDOXAK-UHFFFAOYSA-N 0 1 348.397 3.522 20 10 EHCDMN Oc1c(F)cc(Br)cc1CN1CC(CC(F)(F)F)C1 ZINC000894977873 1022328736 /nfs/dbraw/zinc/32/87/36/1022328736.db2.gz YOUVMDLJFBQSGW-UHFFFAOYSA-N 0 1 342.130 3.678 20 10 EHCDMN [O-]c1c(F)cc(Br)cc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000894977873 1022328751 /nfs/dbraw/zinc/32/87/51/1022328751.db2.gz YOUVMDLJFBQSGW-UHFFFAOYSA-N 0 1 342.130 3.678 20 10 EHCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894621728 1022634304 /nfs/dbraw/zinc/63/43/04/1022634304.db2.gz JCTFXCPFXZEACB-OAHLLOKOSA-N 0 1 346.240 3.685 20 10 EHCDMN Cc1ncc(CNCc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000280803660 1022663970 /nfs/dbraw/zinc/66/39/70/1022663970.db2.gz HNZRSTKKKKJLKU-UHFFFAOYSA-N 0 1 329.391 3.826 20 10 EHCDMN CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Cl)ccc1[O-] ZINC000760039117 1024076840 /nfs/dbraw/zinc/07/68/40/1024076840.db2.gz PHCNZFJLVCGRIW-INIZCTEOSA-N 0 1 346.862 3.545 20 10 EHCDMN CCCOc1ccc(CN2CCCC[C@@H]2c2ccnn2C)c(O)c1 ZINC000281232422 1024793792 /nfs/dbraw/zinc/79/37/92/1024793792.db2.gz LCPFYWXRDSZOOV-GOSISDBHSA-N 0 1 329.444 3.642 20 10 EHCDMN CC(C)(C)OC(=O)Nc1ccnc(CNCc2cc(F)ccc2O)c1 ZINC000895761224 1024804916 /nfs/dbraw/zinc/80/49/16/1024804916.db2.gz OUZPHEYENFWJKP-UHFFFAOYSA-N 0 1 347.390 3.563 20 10 EHCDMN CCOC(=O)[C@](C)(NCc1cccc(Cl)c1O)c1ccccc1 ZINC000895894916 1024950871 /nfs/dbraw/zinc/95/08/71/1024950871.db2.gz RIDSHWIOKNMJRV-GOSISDBHSA-N 0 1 333.815 3.614 20 10 EHCDMN COc1cc(C)cc(CNCc2coc(-c3ccc(C)cc3)n2)c1O ZINC000894309921 1025156315 /nfs/dbraw/zinc/15/63/15/1025156315.db2.gz BZBLTFBOWBBNOO-UHFFFAOYSA-N 0 1 338.407 3.962 20 10 EHCDMN CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142527149 1033272931 /nfs/dbraw/zinc/27/29/31/1033272931.db2.gz MGBHTSYFCQUFTP-LLVKDONJSA-N 0 1 337.370 3.556 20 10 EHCDMN Cc1nc(CC2CC[NH+](Cc3cc(Cl)c(C)cc3[O-])CC2)no1 ZINC000896550434 1025593255 /nfs/dbraw/zinc/59/32/55/1025593255.db2.gz WACQTSMDDUQPSY-UHFFFAOYSA-N 0 1 335.835 3.500 20 10 EHCDMN CC[C@@H](N[C@@H](C)c1cc(C)ccc1O)c1nnc2n1CCCCC2 ZINC000273462970 1027442001 /nfs/dbraw/zinc/44/20/01/1027442001.db2.gz DDCDHUITVAKFCS-GOEBONIOSA-N 0 1 328.460 3.820 20 10 EHCDMN Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185348172 1028023684 /nfs/dbraw/zinc/02/36/84/1028023684.db2.gz VFTRUDJXYHEADF-VHSXEESVSA-N 0 1 338.249 3.608 20 10 EHCDMN Cc1cccc(N2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)c1 ZINC000021999632 1029367863 /nfs/dbraw/zinc/36/78/63/1029367863.db2.gz GRJFXIBLULWOJY-UHFFFAOYSA-N 0 1 333.435 3.571 20 10 EHCDMN C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000527933654 1031498739 /nfs/dbraw/zinc/49/87/39/1031498739.db2.gz PLFRWCTYJYLQJI-ZANVPECISA-N 0 1 333.741 3.696 20 10 EHCDMN CC[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1cc(Cl)ccc1[O-] ZINC000528000873 1031563107 /nfs/dbraw/zinc/56/31/07/1031563107.db2.gz SGSWLPIIOFBSAG-HOCLYGCPSA-N 0 1 330.815 3.650 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(Cl)cc1[O-] ZINC000528003674 1031569123 /nfs/dbraw/zinc/56/91/23/1031569123.db2.gz QIISKNINJVCYLL-BZNIZROVSA-N 0 1 330.815 3.523 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000170790666 1033611218 /nfs/dbraw/zinc/61/12/18/1033611218.db2.gz WDENJSRMKZIGNK-OAHLLOKOSA-N 0 1 345.748 3.585 20 10 EHCDMN C[C@H](Cc1cccs1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227436099 1034008600 /nfs/dbraw/zinc/00/86/00/1034008600.db2.gz ICMUCHDPHAHPJT-SNVBAGLBSA-N 0 1 326.259 3.937 20 10 EHCDMN C[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1O ZINC000186631785 1035676149 /nfs/dbraw/zinc/67/61/49/1035676149.db2.gz RWLPKWOKGULMFC-YJYMSZOUSA-N 0 1 325.387 3.705 20 10 EHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc2c(c1)CCO2 ZINC000897417975 1036319385 /nfs/dbraw/zinc/31/93/85/1036319385.db2.gz IOPZMGRSPTYUCE-LLVKDONJSA-N 0 1 348.240 3.940 20 10 EHCDMN CCOc1ccc(O)c(CN(C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000181013440 1038317256 /nfs/dbraw/zinc/31/72/56/1038317256.db2.gz CGPWJKCTWSKDAC-UHFFFAOYSA-N 0 1 325.330 3.840 20 10 EHCDMN CCOc1cccc(CN[C@@H](COCC(C)C)c2ccco2)c1O ZINC000236958190 1039284206 /nfs/dbraw/zinc/28/42/06/1039284206.db2.gz XQMUGYPEGVRUHI-INIZCTEOSA-N 0 1 333.428 3.887 20 10 EHCDMN COc1ccc(CNCc2cc(F)c(Cl)cc2F)c(O)c1OC ZINC000894118466 1040720912 /nfs/dbraw/zinc/72/09/12/1040720912.db2.gz YJXHUTWCQDQXHD-UHFFFAOYSA-N 0 1 343.757 3.631 20 10 EHCDMN CC[C@H](CCO)C[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000094949205 1044546540 /nfs/dbraw/zinc/54/65/40/1044546540.db2.gz MXUUYVKSQCJXIN-RISCZKNCSA-N 0 1 330.266 3.604 20 10 EHCDMN C[C@H]([NH2+]CCOCC1CCC1)c1cc(Br)ccc1[O-] ZINC000765806703 1128415466 /nfs/dbraw/zinc/41/54/66/1128415466.db2.gz CHNMDNGRMLLIGM-NSHDSACASA-N 0 1 328.250 3.622 20 10 EHCDMN COc1ccc(O)c([C@H](C)N[C@H]2CCCc3cn(C(C)C)nc32)c1 ZINC000765819903 1128475449 /nfs/dbraw/zinc/47/54/49/1128475449.db2.gz RPDWSKPBQWUSDB-GUYCJALGSA-N 0 1 329.444 3.906 20 10 EHCDMN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3cn(C(C)C)nc32)c1 ZINC000765819895 1128482834 /nfs/dbraw/zinc/48/28/34/1128482834.db2.gz RPDWSKPBQWUSDB-CXAGYDPISA-N 0 1 329.444 3.906 20 10 EHCDMN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c(C)s1 ZINC000761996808 1121043253 /nfs/dbraw/zinc/04/32/53/1121043253.db2.gz ZKSQNYDHFWCGNV-UHFFFAOYSA-N 0 1 341.454 3.659 20 10 EHCDMN Cc1csc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])n1 ZINC000756400160 1129052776 /nfs/dbraw/zinc/05/27/76/1129052776.db2.gz IQFNXYAUYXVNMZ-JTQLQIEISA-N 0 1 341.274 3.813 20 10 EHCDMN 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CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000817944061 1136849736 /nfs/dbraw/zinc/84/97/36/1136849736.db2.gz XCTFTAZJRDZMBG-MSOLQXFVSA-N 0 1 347.890 3.852 20 10 EHCDMN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000857864756 1136915319 /nfs/dbraw/zinc/91/53/19/1136915319.db2.gz HUTREUZMBBDBSF-YOEHRIQHSA-N 0 1 341.455 3.610 20 10 EHCDMN COCc1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858091598 1136938810 /nfs/dbraw/zinc/93/88/10/1136938810.db2.gz CKKSGYPSQUTOKB-UHFFFAOYSA-N 0 1 336.229 3.591 20 10 EHCDMN CCOc1ccccc1C[NH2+]Cc1c([O-])cccc1Br ZINC000858106439 1136940663 /nfs/dbraw/zinc/94/06/63/1136940663.db2.gz YKZSNLCMEDHMGJ-UHFFFAOYSA-N 0 1 336.229 3.843 20 10 EHCDMN CCOc1ccccc1CNCc1c(O)cccc1Br ZINC000858106439 1136940665 /nfs/dbraw/zinc/94/06/65/1136940665.db2.gz YKZSNLCMEDHMGJ-UHFFFAOYSA-N 0 1 336.229 3.843 20 10 EHCDMN CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000858484753 1136972240 /nfs/dbraw/zinc/97/22/40/1136972240.db2.gz 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1137132253 /nfs/dbraw/zinc/13/22/53/1137132253.db2.gz QGGWCKNMZDUODP-OAHLLOKOSA-N 0 1 335.245 3.830 20 10 EHCDMN CC(C)(C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1)C(N)=O ZINC000824608685 1137144811 /nfs/dbraw/zinc/14/48/11/1137144811.db2.gz MGCRLIRYDVKFKH-OAHLLOKOSA-N 0 1 340.467 3.659 20 10 EHCDMN CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1)C(N)=O ZINC000824608685 1137144813 /nfs/dbraw/zinc/14/48/13/1137144813.db2.gz MGCRLIRYDVKFKH-OAHLLOKOSA-N 0 1 340.467 3.659 20 10 EHCDMN Cc1cc(Cl)cc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636871 1137145656 /nfs/dbraw/zinc/14/56/56/1137145656.db2.gz UPDFFXOXVKBYMV-PKOBYXMFSA-N 0 1 349.833 3.654 20 10 EHCDMN Cc1cccn2c(C[N@H+](C)Cc3ccc(N4CCCC4)cc3)cnc12 ZINC001136964413 1137157763 /nfs/dbraw/zinc/15/77/63/1137157763.db2.gz PUPWDBHATPKXDX-UHFFFAOYSA-N 0 1 334.467 3.875 20 10 EHCDMN Cc1cccn2c(CN(C)Cc3ccc(N4CCCC4)cc3)cnc12 ZINC001136964413 1137157765 /nfs/dbraw/zinc/15/77/65/1137157765.db2.gz PUPWDBHATPKXDX-UHFFFAOYSA-N 0 1 334.467 3.875 20 10 EHCDMN COc1ccc(N2CCN(Cc3c[nH]c4cccc(F)c34)CC2)cc1 ZINC001136977315 1137161967 /nfs/dbraw/zinc/16/19/67/1137161967.db2.gz XZRAVWHKJNCIGH-UHFFFAOYSA-N 0 1 339.414 3.638 20 10 EHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1[N+](=O)[O-] ZINC000825160109 1137168512 /nfs/dbraw/zinc/16/85/12/1137168512.db2.gz NBKBBBYTLOHDOO-UHFFFAOYSA-N 0 1 336.775 3.561 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215576 1137168990 /nfs/dbraw/zinc/16/89/90/1137168990.db2.gz RCDHCABHQPANCG-HNNXBMFYSA-N 0 1 342.302 3.874 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc3c2OCCCO3)cc1Cl ZINC000825358490 1137174666 /nfs/dbraw/zinc/17/46/66/1137174666.db2.gz UCSNOYNHFKXKSY-UHFFFAOYSA-N 0 1 333.815 3.805 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1Cl ZINC000825385060 1137176139 /nfs/dbraw/zinc/17/61/39/1137176139.db2.gz PLBZOYKZYDWLPV-AMXDTQDGSA-N 0 1 337.872 3.942 20 10 EHCDMN CCCOc1ccccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000864023803 1137212250 /nfs/dbraw/zinc/21/22/50/1137212250.db2.gz 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/nfs/dbraw/zinc/33/72/10/1137337210.db2.gz CNRJIEDCEXHCMV-NSHDSACASA-N 0 1 345.830 3.792 20 10 EHCDMN CC[C@H](N[C@H](C)c1cccc(OC)c1O)c1nnc2n1CCCCC2 ZINC000846143408 1137338823 /nfs/dbraw/zinc/33/88/23/1137338823.db2.gz FKSRSYVYXQGXAL-HIFRSBDPSA-N 0 1 344.459 3.521 20 10 EHCDMN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000846184454 1137340194 /nfs/dbraw/zinc/34/01/94/1137340194.db2.gz PRFMMNXBMGEJJK-COPLHBTASA-N 0 1 330.266 3.602 20 10 EHCDMN C[C@H](NCc1nn(C)cc1C(F)F)c1cc2c(cc1O)CCCC2 ZINC000866566054 1137365157 /nfs/dbraw/zinc/36/51/57/1137365157.db2.gz WZMHGRDWNLXRBG-NSHDSACASA-N 0 1 335.398 3.793 20 10 EHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000872814232 1137584898 /nfs/dbraw/zinc/58/48/98/1137584898.db2.gz QIVGZJHMBBNOBP-CQSZACIVSA-N 0 1 347.377 3.549 20 10 EHCDMN COc1ccc(CN[C@H]2CCCc3occc32)cc1Cn1cccn1 ZINC000873012981 1137588054 /nfs/dbraw/zinc/58/80/54/1137588054.db2.gz PUDXEMHPRVIIPY-SFHVURJKSA-N 0 1 337.423 3.700 20 10 EHCDMN CCCOc1ccc(CN[C@@H](CO)c2ccccc2OC)cc1C ZINC000873051987 1137589015 /nfs/dbraw/zinc/58/90/15/1137589015.db2.gz JMXIOEBWKSIMNO-SFHVURJKSA-N 0 1 329.440 3.616 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000825910676 1137662712 /nfs/dbraw/zinc/66/27/12/1137662712.db2.gz ITXMWWUMYBZDLM-UHFFFAOYSA-N 0 1 347.256 3.929 20 10 EHCDMN Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000877056109 1137668857 /nfs/dbraw/zinc/66/88/57/1137668857.db2.gz YPPVDBRTOFLTKJ-LPHOPBHVSA-N 0 1 330.497 3.935 20 10 EHCDMN Cc1cccc(O)c1C[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000877565103 1137681389 /nfs/dbraw/zinc/68/13/89/1137681389.db2.gz SIJUWYNFIOMNHW-UHFFFAOYSA-N 0 1 326.444 3.552 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672671 1137685269 /nfs/dbraw/zinc/68/52/69/1137685269.db2.gz KDWTZJNXYCIELX-XJKSGUPXSA-N 0 1 335.806 3.883 20 10 EHCDMN COc1ccccc1[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000877754460 1137688175 /nfs/dbraw/zinc/68/81/75/1137688175.db2.gz HDKMXJQBAMTCFP-KRWDZBQOSA-N 0 1 333.815 3.628 20 10 EHCDMN COc1ccccc1[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000877754460 1137688176 /nfs/dbraw/zinc/68/81/76/1137688176.db2.gz HDKMXJQBAMTCFP-KRWDZBQOSA-N 0 1 333.815 3.628 20 10 EHCDMN COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000877754460 1137688177 /nfs/dbraw/zinc/68/81/77/1137688177.db2.gz HDKMXJQBAMTCFP-KRWDZBQOSA-N 0 1 333.815 3.628 20 10 EHCDMN CC1(C)N[C@@H](c2cc(Cl)cc(F)c2O)N(c2ccccc2)C1=O ZINC000877857559 1137693632 /nfs/dbraw/zinc/69/36/32/1137693632.db2.gz UMTPEQLYIODKBH-OAHLLOKOSA-N 0 1 334.778 3.598 20 10 EHCDMN Cc1cc(O)c(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1Cl ZINC000826043401 1137717136 /nfs/dbraw/zinc/71/71/36/1137717136.db2.gz IVSVZACLJLIBLQ-QFBILLFUSA-N 0 1 349.833 3.654 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1Cl ZINC000826064043 1137725608 /nfs/dbraw/zinc/72/56/08/1137725608.db2.gz COPPVVFIHZTRDL-YJBOKZPZSA-N 0 1 332.831 3.759 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1Cl ZINC000826064037 1137726190 /nfs/dbraw/zinc/72/61/90/1137726190.db2.gz COPPVVFIHZTRDL-CRAIPNDOSA-N 0 1 332.831 3.759 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(C3(C)OCCO3)c2)c(Cl)c1 ZINC000883128882 1137845605 /nfs/dbraw/zinc/84/56/05/1137845605.db2.gz YZQXEWCPVTZOIU-UHFFFAOYSA-N 0 1 347.842 3.863 20 10 EHCDMN O=C1CCCCN1c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113326732 1137912713 /nfs/dbraw/zinc/91/27/13/1137912713.db2.gz GYMUNLSKPZFMJQ-UHFFFAOYSA-N 0 1 344.842 3.852 20 10 EHCDMN COc1cc(C)cc(CNCc2ccc(N(C)C)c(F)c2)c1OC ZINC000885953872 1138028324 /nfs/dbraw/zinc/02/83/24/1138028324.db2.gz HWQIPMHZNHCVLS-UHFFFAOYSA-N 0 1 332.419 3.507 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc2ccccc2c1[O-] ZINC000886764208 1138135086 /nfs/dbraw/zinc/13/50/86/1138135086.db2.gz NPHAJARKRFDTCW-PWAOUJBFSA-N 0 1 341.451 3.923 20 10 EHCDMN CCCOc1ccc(CN(C)Cc2ccc([S@](C)=O)cc2)c(O)c1 ZINC000093712912 1138240379 /nfs/dbraw/zinc/24/03/79/1138240379.db2.gz OOQCIXCNMCVYNW-XMMPIXPASA-N 0 1 347.480 3.550 20 10 EHCDMN Cc1cnc(C(C)(C)NCc2cc(Br)ccc2O)s1 ZINC000175983016 1139532190 /nfs/dbraw/zinc/53/21/90/1139532190.db2.gz RPPRTVYMOOKCOU-UHFFFAOYSA-N 0 1 341.274 3.945 20 10 EHCDMN CCCN(CC(=O)Nc1ccccc1C)Cc1cc(OC)ccc1O ZINC000179566957 1139765283 /nfs/dbraw/zinc/76/52/83/1139765283.db2.gz KRGRQWROGMYOTD-UHFFFAOYSA-N 0 1 342.439 3.560 20 10 EHCDMN C[C@@H](NCc1ccc(Cl)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182112286 1139951528 /nfs/dbraw/zinc/95/15/28/1139951528.db2.gz MWJHIQCUJPVUHR-CYBMUJFWSA-N 0 1 349.837 3.562 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184997915 1140130744 /nfs/dbraw/zinc/13/07/44/1140130744.db2.gz HISYGRXWWTZMRS-QWRGUYRKSA-N 0 1 329.271 3.834 20 10 EHCDMN C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(Cl)ccc1[O-] ZINC000185321505 1140145194 /nfs/dbraw/zinc/14/51/94/1140145194.db2.gz SURWONOPMXHQMQ-ZDUSSCGKSA-N 0 1 348.878 3.647 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Br)ccc1[O-] ZINC000185771705 1140168459 /nfs/dbraw/zinc/16/84/59/1140168459.db2.gz QODYQPKYJQLVPI-NYDIPFLSSA-N 0 1 340.261 3.763 20 10 EHCDMN COCCn1nc(C)c(NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000186257677 1140194813 /nfs/dbraw/zinc/19/48/13/1140194813.db2.gz ZCCIKADQUICKSH-UHFFFAOYSA-N 0 1 344.242 3.771 20 10 EHCDMN COc1cc(OC)c(OC)cc1N[C@H](C)c1ccc(F)c(F)c1O ZINC000187905418 1140275858 /nfs/dbraw/zinc/27/58/58/1140275858.db2.gz BZBXKMVQBDFAAS-SECBINFHSA-N 0 1 339.338 3.869 20 10 EHCDMN C[C@@H](C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CC1)C(=O)[O-] ZINC000736585019 599933621 /nfs/dbraw/zinc/93/36/21/599933621.db2.gz RCVLQFZDABPKLE-LBPRGKRZSA-N 0 1 343.423 3.702 20 10 EHCDMN O=C([O-])Nc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000834258315 605594493 /nfs/dbraw/zinc/59/44/93/605594493.db2.gz DVAINGCUKOIUCY-UHFFFAOYSA-N 0 1 341.411 3.822 20 10 EHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595748049 982417293 /nfs/dbraw/zinc/41/72/93/982417293.db2.gz QNUJBTMIPFGRAC-IBGZPJMESA-N 0 1 343.423 3.829 20 10 EHCDMN C[C@H]1CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728194419 1014940972 /nfs/dbraw/zinc/94/09/72/1014940972.db2.gz PFUCJATXAITDED-AWEZNQCLSA-N 0 1 325.408 3.561 20 10 EHCDMN C[N@@H+](Cc1occc1C(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC001598519359 992660092 /nfs/dbraw/zinc/66/00/92/992660092.db2.gz UTWNNLQIXCOOPR-UHFFFAOYSA-N 0 1 328.412 3.600 20 10 EHCDMN Cc1cc(C(=O)Nc2nnc(C)[nH]2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000728703484 1017879534 /nfs/dbraw/zinc/87/95/34/1017879534.db2.gz ZBKZBODPCNTAAP-UHFFFAOYSA-N 0 1 337.427 3.896 20 10 EHCDMN Cc1n[nH]c(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n1 ZINC000728703484 1017879553 /nfs/dbraw/zinc/87/95/53/1017879553.db2.gz ZBKZBODPCNTAAP-UHFFFAOYSA-N 0 1 337.427 3.896 20 10 EHCDMN COc1ccc(CNC(C)(C)c2nc(C)c(C)s2)c(O)c1OC ZINC000892955838 1017971213 /nfs/dbraw/zinc/97/12/13/1017971213.db2.gz NBVNXUZQJWTBMP-UHFFFAOYSA-N 0 1 336.457 3.508 20 10 EHCDMN CC[C@H]([NH2+]CC(C)(C)COC)c1cc(Br)ccc1[O-] ZINC000311978920 1018248301 /nfs/dbraw/zinc/24/83/01/1018248301.db2.gz MJJRJWFQFUXCHC-ZDUSSCGKSA-N 0 1 330.266 3.868 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000377795600 1018381228 /nfs/dbraw/zinc/38/12/28/1018381228.db2.gz FYGQERHGIBQVMP-RKDXNWHRSA-N 0 1 326.227 3.630 20 10 EHCDMN CC[C@H]([NH2+][C@@H](COC)C(C)C)c1cc(Br)ccc1[O-] ZINC000086683255 1019260964 /nfs/dbraw/zinc/26/09/64/1019260964.db2.gz AKZLHGNFCKRFGM-KBPBESRZSA-N 0 1 330.266 3.866 20 10 EHCDMN Cc1cc[nH+]c2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc12 ZINC001167434094 1020004453 /nfs/dbraw/zinc/00/44/53/1020004453.db2.gz BFFQHPLQINORJH-UHFFFAOYSA-N 0 1 346.478 3.907 20 10 EHCDMN CCOc1c(F)cccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167437380 1020161834 /nfs/dbraw/zinc/16/18/34/1020161834.db2.gz SZGJUPFGISATTC-UHFFFAOYSA-N 0 1 343.446 3.588 20 10 EHCDMN O=C(C[C@H]1CCC2(CCC2)O1)NCc1cc(Cl)cc(Cl)c1O ZINC000897768730 1033158306 /nfs/dbraw/zinc/15/83/06/1033158306.db2.gz HUQPSIIALNCDLO-GFCCVEGCSA-N 0 1 344.238 3.807 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(C(F)(F)F)cc1[O-] ZINC000897813775 1033169283 /nfs/dbraw/zinc/16/92/83/1033169283.db2.gz DTCIMFAXDVOTEW-XDJSOMLNSA-N 0 1 327.346 3.628 20 10 EHCDMN COc1cccc(-c2cc(CNCc3ccc4c(c3)CCO4)on2)c1 ZINC000897841292 1033205216 /nfs/dbraw/zinc/20/52/16/1033205216.db2.gz MTTOFANGXQEGIB-UHFFFAOYSA-N 0 1 336.391 3.575 20 10 EHCDMN COC1(OC)CC2(C[N@H+](Cc3cc(Cl)ccc3[O-])[C@@H]2C(C)C)C1 ZINC000895996939 1025051479 /nfs/dbraw/zinc/05/14/79/1025051479.db2.gz VRXICYLPOHKGOZ-MRXNPFEDSA-N 0 1 339.863 3.655 20 10 EHCDMN COC1(OC)CC2(C[N@@H+](Cc3cc(Cl)ccc3[O-])[C@@H]2C(C)C)C1 ZINC000895996939 1025051490 /nfs/dbraw/zinc/05/14/90/1025051490.db2.gz VRXICYLPOHKGOZ-MRXNPFEDSA-N 0 1 339.863 3.655 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1Cl ZINC000896451901 1025443779 /nfs/dbraw/zinc/44/37/79/1025443779.db2.gz KEKMMFQBHDSNNK-RUCARUNLSA-N 0 1 331.843 3.536 20 10 EHCDMN CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000192842367 1026384564 /nfs/dbraw/zinc/38/45/64/1026384564.db2.gz KGRUINNCCJEQTH-OAHLLOKOSA-N 0 1 340.467 3.843 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1O ZINC000897269456 1026620734 /nfs/dbraw/zinc/62/07/34/1026620734.db2.gz GFKBPWFYHMCEHE-AWEZNQCLSA-N 0 1 339.863 3.693 20 10 EHCDMN C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000273598731 1027513908 /nfs/dbraw/zinc/51/39/08/1027513908.db2.gz RMVSFHPBEGIPQO-ABAIWWIYSA-N 0 1 336.229 3.539 20 10 EHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000728559776 1029522384 /nfs/dbraw/zinc/52/23/84/1029522384.db2.gz JHATXTOQBDTVHF-GOSISDBHSA-N 0 1 337.419 3.703 20 10 EHCDMN C[C@@H](c1ccccc1)N(CC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000176677157 1029656871 /nfs/dbraw/zinc/65/68/71/1029656871.db2.gz VWJKMSCIZTWHBR-INIZCTEOSA-N 0 1 340.467 3.870 20 10 EHCDMN COc1cc(O)c(CN(C)Cc2ccc(Cl)s2)cc1OC ZINC000159494153 1030234675 /nfs/dbraw/zinc/23/46/75/1030234675.db2.gz FERDVCKUMPCXOZ-UHFFFAOYSA-N 0 1 327.833 3.756 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071803 1033324983 /nfs/dbraw/zinc/32/49/83/1033324983.db2.gz TWUHPBPCVDTYQY-JTQLQIEISA-N 0 1 326.824 3.706 20 10 EHCDMN C[C@@H](COc1ccccc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000725849371 1035436700 /nfs/dbraw/zinc/43/67/00/1035436700.db2.gz LOYUYXVLUQKNHM-LBPRGKRZSA-N 0 1 336.229 3.712 20 10 EHCDMN C[C@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000363834259 1038637137 /nfs/dbraw/zinc/63/71/37/1038637137.db2.gz NIRMJOOGRPKRGM-KKSFZXQISA-N 0 1 334.467 3.926 20 10 EHCDMN Cc1nc2cc(NCc3c(O)cccc3Cl)ccc2n1[C@H](C)CO ZINC000842216643 1039913484 /nfs/dbraw/zinc/91/34/84/1039913484.db2.gz FLCVGDMKOLHSDF-LLVKDONJSA-N 0 1 345.830 3.869 20 10 EHCDMN Cc1cc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c(C)c1 ZINC000111235736 1040667595 /nfs/dbraw/zinc/66/75/95/1040667595.db2.gz IMMZNEWAMIZTPB-MRXNPFEDSA-N 0 1 326.440 3.776 20 10 EHCDMN Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1O ZINC000156399429 1041178455 /nfs/dbraw/zinc/17/84/55/1041178455.db2.gz PPKXFXNCDBHXAY-UHFFFAOYSA-N 0 1 331.315 3.520 20 10 EHCDMN C[C@H](NCc1ncnn1-c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000279504935 1044158925 /nfs/dbraw/zinc/15/89/25/1044158925.db2.gz MYUFWDUVCSWOMF-HNNXBMFYSA-N 0 1 348.450 3.703 20 10 EHCDMN C[C@@H](NCc1ncnn1-c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000279504938 1044159582 /nfs/dbraw/zinc/15/95/82/1044159582.db2.gz MYUFWDUVCSWOMF-OAHLLOKOSA-N 0 1 348.450 3.703 20 10 EHCDMN COc1cccc2c1OCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921739393 1128702680 /nfs/dbraw/zinc/70/26/80/1128702680.db2.gz RNDQOCDAFHYRQI-QGZVFWFLSA-N 0 1 325.408 3.634 20 10 EHCDMN CN(C)c1cc(F)c(CNCc2ccc3c(c2)CCCN3C)cc1F ZINC001648951398 1120252511 /nfs/dbraw/zinc/25/25/11/1120252511.db2.gz UWBGTLUTOWJHSW-UHFFFAOYSA-N 0 1 345.437 3.703 20 10 EHCDMN CCCn1ccnc1CCC[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000762076314 1121092671 /nfs/dbraw/zinc/09/26/71/1121092671.db2.gz MWVGYBOPAHQRDJ-UHFFFAOYSA-N 0 1 338.455 3.612 20 10 EHCDMN CCCn1ccnc1CCC[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000762076314 1121092681 /nfs/dbraw/zinc/09/26/81/1121092681.db2.gz MWVGYBOPAHQRDJ-UHFFFAOYSA-N 0 1 338.455 3.612 20 10 EHCDMN CC(C)N(CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1ccc(N(C)C)cc1 ZINC000917074908 1122471967 /nfs/dbraw/zinc/47/19/67/1122471967.db2.gz KTWRXBIWBRQKAB-ROUUACIJSA-N 0 1 345.531 3.753 20 10 EHCDMN COc1ccc(OC)c([C@@H](C)NCc2ccc3c(c2)CCCO3)c1 ZINC000921494817 1123547144 /nfs/dbraw/zinc/54/71/44/1123547144.db2.gz OWCJZVQBJCUBFV-CQSZACIVSA-N 0 1 327.424 3.880 20 10 EHCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C12CCC2 ZINC000763452833 1123571648 /nfs/dbraw/zinc/57/16/48/1123571648.db2.gz NAIFQLXSFWBCDW-SJORKVTESA-N 0 1 335.419 3.513 20 10 EHCDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)cc1OC ZINC000179903753 1123894846 /nfs/dbraw/zinc/89/48/46/1123894846.db2.gz JVMYYBRKTHIAFD-INIZCTEOSA-N 0 1 331.387 3.886 20 10 EHCDMN COc1ccc(O)c(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000180388582 1123999281 /nfs/dbraw/zinc/99/92/81/1123999281.db2.gz AEZDKOPKIRHMCE-QRWLVFNGSA-N 0 1 327.424 3.671 20 10 EHCDMN Oc1ccc(F)cc1CNCc1cc(F)ccc1Br ZINC000180492627 1124021870 /nfs/dbraw/zinc/02/18/70/1124021870.db2.gz KOMVNELFOYEIRE-UHFFFAOYSA-N 0 1 328.156 3.723 20 10 EHCDMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000180729346 1124058437 /nfs/dbraw/zinc/05/84/37/1124058437.db2.gz TTWBLUGWLCPQFG-WEVVVXLNSA-N 0 1 349.390 3.894 20 10 EHCDMN CC(C)Cc1noc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000731848095 1130850014 /nfs/dbraw/zinc/85/00/14/1130850014.db2.gz RHQKZYXDYDVXMI-UHFFFAOYSA-N 0 1 329.444 3.919 20 10 EHCDMN Oc1cc2c(cc1CN1CCC[C@H]1c1ccc(F)c(F)c1)OCO2 ZINC000732980076 1130978310 /nfs/dbraw/zinc/97/83/10/1130978310.db2.gz GUTPKGMIFGZNNY-HNNXBMFYSA-N 0 1 333.334 3.736 20 10 EHCDMN Cc1ccc([C@@H]2CSCCN2Cc2cc3c(cc2O)OCO3)cc1 ZINC000738245928 1131466395 /nfs/dbraw/zinc/46/63/95/1131466395.db2.gz OYPJJWOIHYQOTC-INIZCTEOSA-N 0 1 343.448 3.719 20 10 EHCDMN COc1ccc2c(c1)c1c(n2C)CCN([C@@H](C)CCOCC(C)C)C1 ZINC001172476790 1131736377 /nfs/dbraw/zinc/73/63/77/1131736377.db2.gz STFFAHBMZKRINJ-INIZCTEOSA-N 0 1 344.499 3.996 20 10 EHCDMN Oc1ccc(Br)cc1CN1CCC[C@H]1c1ccccn1 ZINC000768353812 1133128724 /nfs/dbraw/zinc/12/87/24/1133128724.db2.gz ABAPCTLUSCDIOQ-HNNXBMFYSA-N 0 1 333.229 3.887 20 10 EHCDMN CCCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768910872 1133201555 /nfs/dbraw/zinc/20/15/55/1133201555.db2.gz AUAMBZJOJNFNOC-INIZCTEOSA-N 0 1 338.879 3.707 20 10 EHCDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769211678 1133244929 /nfs/dbraw/zinc/24/49/29/1133244929.db2.gz ZFZUWKONRAJZSP-KGLIPLIRSA-N 0 1 338.879 3.562 20 10 EHCDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000769211678 1133244935 /nfs/dbraw/zinc/24/49/35/1133244935.db2.gz ZFZUWKONRAJZSP-KGLIPLIRSA-N 0 1 338.879 3.562 20 10 EHCDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000769211678 1133244937 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[O-]c1cccc(Br)c1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000858186198 1136947577 /nfs/dbraw/zinc/94/75/77/1136947577.db2.gz UGRQJMOIRSBIII-JKSUJKDBSA-N 0 1 340.261 3.592 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc2ccccc2c1[O-] ZINC000858478940 1136971842 /nfs/dbraw/zinc/97/18/42/1136971842.db2.gz FNCBTZZPSKIDTG-HIFRSBDPSA-N 0 1 334.410 3.926 20 10 EHCDMN Cc1nsc(C)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821390360 1137024938 /nfs/dbraw/zinc/02/49/38/1137024938.db2.gz AHQIEKQUNZTZLI-INIZCTEOSA-N 0 1 332.469 3.647 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529951 1137062600 /nfs/dbraw/zinc/06/26/00/1137062600.db2.gz LNSWPSOJPZKSDR-QGZVFWFLSA-N 0 1 339.838 3.966 20 10 EHCDMN CC(C)(C)OC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862232526 1137133672 /nfs/dbraw/zinc/13/36/72/1137133672.db2.gz AYTIQZARRARGBB-UHFFFAOYSA-N 0 1 342.277 3.934 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473176 1137145888 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Cc1cc([O-])c(C[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)cc1Cl ZINC000825354091 1137174769 /nfs/dbraw/zinc/17/47/69/1137174769.db2.gz RQCHOQXIZBADDK-GOEBONIOSA-N 0 1 333.859 3.998 20 10 EHCDMN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000825412400 1137177398 /nfs/dbraw/zinc/17/73/98/1137177398.db2.gz JDHDRJZWGKJKGF-GJZGRUSLSA-N 0 1 342.277 3.838 20 10 EHCDMN Cc1ccnc(C2CC[NH+](Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC000825504841 1137180233 /nfs/dbraw/zinc/18/02/33/1137180233.db2.gz KDOVXWSVUMJHGK-UHFFFAOYSA-N 0 1 331.847 3.832 20 10 EHCDMN Oc1cc(F)c(Br)cc1CN1CCc2ccsc2C1 ZINC001144299640 1137268517 /nfs/dbraw/zinc/26/85/17/1137268517.db2.gz DJEBKDIBYAJXTP-UHFFFAOYSA-N 0 1 342.233 3.914 20 10 EHCDMN Oc1ccc(Br)cc1CNc1cc(OCC2CC2)ccn1 ZINC001171175270 1137286202 /nfs/dbraw/zinc/28/62/02/1137286202.db2.gz IAHKVKDDQAUJCI-UHFFFAOYSA-N 0 1 349.228 3.951 20 10 EHCDMN Oc1ccc(Br)cc1CNc1ccncc1C(F)(F)F ZINC001171175383 1137286308 /nfs/dbraw/zinc/28/63/08/1137286308.db2.gz MVPLNRYJIUITES-UHFFFAOYSA-N 0 1 347.134 3.603 20 10 EHCDMN C[C@H](O)[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846012604 1137325864 /nfs/dbraw/zinc/32/58/64/1137325864.db2.gz GABNXVVHXHZKDE-WZHKBMRHSA-N 0 1 328.431 3.617 20 10 EHCDMN C[C@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1cc(F)ccc1O ZINC000846208201 1137339429 /nfs/dbraw/zinc/33/94/29/1137339429.db2.gz WVUJATXTCDXMAH-KSSFIOAISA-N 0 1 339.414 3.899 20 10 EHCDMN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000846184456 1137340245 /nfs/dbraw/zinc/34/02/45/1137340245.db2.gz PRFMMNXBMGEJJK-MJVIPROJSA-N 0 1 330.266 3.602 20 10 EHCDMN CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000846184457 1137340337 /nfs/dbraw/zinc/34/03/37/1137340337.db2.gz PRFMMNXBMGEJJK-WDMOLILDSA-N 0 1 330.266 3.602 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc2ccccc2c1[O-] ZINC000846216498 1137341815 /nfs/dbraw/zinc/34/18/15/1137341815.db2.gz RYVMLGOGBFQFLN-LIRRHRJNSA-N 0 1 348.446 3.972 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866533791 1137362443 /nfs/dbraw/zinc/36/24/43/1137362443.db2.gz VWMHTEOKKRFWMD-GOEBONIOSA-N 0 1 339.863 3.672 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cc(Br)ccc1[O-] ZINC000714702361 1137473663 /nfs/dbraw/zinc/47/36/63/1137473663.db2.gz FMXYDEACENANEM-JKOKRWQUSA-N 0 1 328.250 3.620 20 10 EHCDMN CCCOc1ccc(CNCc2c(C(F)(F)F)cnn2C)cc1C ZINC000873141550 1137591324 /nfs/dbraw/zinc/59/13/24/1137591324.db2.gz GOYJCJURAZQKAU-UHFFFAOYSA-N 0 1 341.377 3.826 20 10 EHCDMN COc1cccc(CNCc2cc(C(F)(F)F)cc(Cl)n2)c1O ZINC000873169398 1137592173 /nfs/dbraw/zinc/59/21/73/1137592173.db2.gz MWBGYXBOQLBCQD-UHFFFAOYSA-N 0 1 346.736 3.758 20 10 EHCDMN C[C@@H]1CC(CC[NH2+]Cc2ccc(Br)cc2[O-])C[C@@H](C)O1 ZINC000825803878 1137636330 /nfs/dbraw/zinc/63/63/30/1137636330.db2.gz LFJJJRMBCXADQQ-VXGBXAGGSA-N 0 1 342.277 3.838 20 10 EHCDMN CN(C)c1ccc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)cc1F ZINC000877674935 1137685323 /nfs/dbraw/zinc/68/53/23/1137685323.db2.gz XMUMMNHGGVXCEF-XLIONFOSSA-N 0 1 328.431 3.590 20 10 EHCDMN COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000826139840 1137763731 /nfs/dbraw/zinc/76/37/31/1137763731.db2.gz PYCDDXNAVNBCRC-CYBMUJFWSA-N 0 1 335.831 3.749 20 10 EHCDMN COCCc1ccc(OC[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000826139482 1137763772 /nfs/dbraw/zinc/76/37/72/1137763772.db2.gz CZGFAIZVMCYZHA-CQSZACIVSA-N 0 1 349.858 3.792 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000113337161 1137912730 /nfs/dbraw/zinc/91/27/30/1137912730.db2.gz HIFNSRHGGSETER-UHFFFAOYSA-N 0 1 327.758 3.979 20 10 EHCDMN CC[C@H]([NH2+][C@H](COC)[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000886789348 1138140952 /nfs/dbraw/zinc/14/09/52/1138140952.db2.gz SMZXVMMCYKNAFX-VBNZEHGJSA-N 0 1 327.852 3.528 20 10 EHCDMN CCOc1ccc(O)c(CN(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000092437262 1138228294 /nfs/dbraw/zinc/22/82/94/1138228294.db2.gz BZKQLFHMWDUWEC-GOSISDBHSA-N 0 1 331.412 3.565 20 10 EHCDMN COc1ccc([C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C2CC2)cc1 ZINC000175568186 1139501401 /nfs/dbraw/zinc/50/14/01/1139501401.db2.gz COQDWKNELFIDIZ-LJQANCHMSA-N 0 1 343.398 3.983 20 10 EHCDMN CCOc1ccc(O)c(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000180285860 1139824264 /nfs/dbraw/zinc/82/42/64/1139824264.db2.gz YWFCTQMUHCCBSM-SHACYNPGSA-N 0 1 347.480 3.721 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000182347156 1139966682 /nfs/dbraw/zinc/96/66/82/1139966682.db2.gz WLBQJBFRYUAWNU-JTQLQIEISA-N 0 1 336.775 3.813 20 10 EHCDMN CC1([C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)OCCO1 ZINC000182829269 1139995559 /nfs/dbraw/zinc/99/55/59/1139995559.db2.gz OEEZXJYPPWYGFO-INIZCTEOSA-N 0 1 327.424 3.520 20 10 EHCDMN CC1([C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)OCCO1 ZINC000182829269 1139995563 /nfs/dbraw/zinc/99/55/63/1139995563.db2.gz OEEZXJYPPWYGFO-INIZCTEOSA-N 0 1 327.424 3.520 20 10 EHCDMN C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cc(Br)ccc1[O-] ZINC000185534183 1140154299 /nfs/dbraw/zinc/15/42/99/1140154299.db2.gz RLUYLMUXDOAGKA-YIVQXAGMSA-N 0 1 340.261 3.619 20 10 EHCDMN CCn1cc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000271435416 1141365330 /nfs/dbraw/zinc/36/53/30/1141365330.db2.gz CMHWGQHRBKLHRM-OAHLLOKOSA-N 0 1 330.451 3.883 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C2CC2)cc1 ZINC000737378640 600119314 /nfs/dbraw/zinc/11/93/14/600119314.db2.gz SZRJRGQAZYKMAA-UHFFFAOYSA-N 0 1 342.414 3.755 20 10 EHCDMN O=C([O-])[C@@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000739583531 600419993 /nfs/dbraw/zinc/41/99/93/600419993.db2.gz RLRXOPCGILPAGX-GFCCVEGCSA-N 0 1 325.364 3.588 20 10 EHCDMN CC(C)[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000826951521 601546481 /nfs/dbraw/zinc/54/64/81/601546481.db2.gz LKIVZLPBVXHXHP-UHFFFAOYSA-N 0 1 332.469 3.923 20 10 EHCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000833695320 605041610 /nfs/dbraw/zinc/04/16/10/605041610.db2.gz LQIMDYVDUCHSPI-FQEVSTJZSA-N 0 1 338.451 3.935 20 10 EHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000843305936 979336241 /nfs/dbraw/zinc/33/62/41/979336241.db2.gz JJIBZEUNZPQEFS-CYBMUJFWSA-N 0 1 345.468 3.682 20 10 EHCDMN CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001596289078 983709010 /nfs/dbraw/zinc/70/90/10/983709010.db2.gz DKKJTIHNDIQYBL-UHFFFAOYSA-N 0 1 343.471 3.510 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1[O-] ZINC000528658376 1032542758 /nfs/dbraw/zinc/54/27/58/1032542758.db2.gz MQFQWUBDHCLHQH-SFHVURJKSA-N 0 1 328.387 3.760 20 10 EHCDMN CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc2c(cc1O)CCCC2 ZINC000160364073 1018616872 /nfs/dbraw/zinc/61/68/72/1018616872.db2.gz YSSVFXJEHXVBMY-DEOSSOPVSA-N 0 1 343.492 3.640 20 10 EHCDMN CN1CCN(c2ccc(CNc3cc(Cl)ccc3F)cc2)CC1 ZINC001167431123 1019881340 /nfs/dbraw/zinc/88/13/40/1019881340.db2.gz IDLGFUTUISGMKS-UHFFFAOYSA-N 0 1 333.838 3.843 20 10 EHCDMN CN1CCN(c2ccc(CNc3ccc(-c4ccno4)cc3)cc2)CC1 ZINC001167431266 1019896592 /nfs/dbraw/zinc/89/65/92/1019896592.db2.gz OSPXADHVZVNAOJ-UHFFFAOYSA-N 0 1 348.450 3.706 20 10 EHCDMN CN1CCN(c2ccc(CNc3ccccc3-c3cnco3)cc2)CC1 ZINC001167434133 1020006502 /nfs/dbraw/zinc/00/65/02/1020006502.db2.gz DDVVTSPJQKMAAT-UHFFFAOYSA-N 0 1 348.450 3.706 20 10 EHCDMN COc1ccc(CN2CCSC[C@H]2c2ccccc2)c(O)c1OC ZINC000891580702 1021990092 /nfs/dbraw/zinc/99/00/92/1021990092.db2.gz BVDNKFLGDJODEU-INIZCTEOSA-N 0 1 345.464 3.700 20 10 EHCDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894450343 1022298692 /nfs/dbraw/zinc/29/86/92/1022298692.db2.gz YZLHQNCQJHKQQS-JTQLQIEISA-N 0 1 339.208 3.882 20 10 EHCDMN Cc1nc([C@@H](C)NCc2ccc(N(C)Cc3cccs3)cc2)n[nH]1 ZINC000894774103 1022871220 /nfs/dbraw/zinc/87/12/20/1022871220.db2.gz OEBUCWYSZMQSLT-CYBMUJFWSA-N 0 1 341.484 3.662 20 10 EHCDMN O=C1CCC[C@@H](c2cccc(NCc3ccc(F)c(F)c3O)c2)N1 ZINC000895895119 1024940404 /nfs/dbraw/zinc/94/04/04/1024940404.db2.gz SWMRGQUOROUMMI-HNNXBMFYSA-N 0 1 332.350 3.624 20 10 EHCDMN C[C@@H]1CCCN(c2ccc(CNCc3cncnc3)cc2Cl)C1 ZINC000282071859 1029728721 /nfs/dbraw/zinc/72/87/21/1029728721.db2.gz QPQGNZIGZJEGDJ-CQSZACIVSA-N 0 1 330.863 3.656 20 10 EHCDMN Cc1ncc(C[N@H+](C)Cc2cccc(Br)c2[O-])s1 ZINC000179382736 1034266554 /nfs/dbraw/zinc/26/65/54/1034266554.db2.gz CVZMEUKZTSEDDM-UHFFFAOYSA-N 0 1 327.247 3.552 20 10 EHCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C[C@H](O)c1ccc(C)cc1 ZINC000761203706 1034414512 /nfs/dbraw/zinc/41/45/12/1034414512.db2.gz XUOLJCCXNJATSU-KRWDZBQOSA-N 0 1 349.858 3.918 20 10 EHCDMN COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c1O ZINC000164405855 1037494116 /nfs/dbraw/zinc/49/41/16/1037494116.db2.gz GGQBSBCYAHRCOR-LJQANCHMSA-N 0 1 327.424 3.591 20 10 EHCDMN COc1cc(C)cc(CN2CCO[C@@H](c3ccccc3C)C2)c1O ZINC000164405855 1037494124 /nfs/dbraw/zinc/49/41/24/1037494124.db2.gz GGQBSBCYAHRCOR-LJQANCHMSA-N 0 1 327.424 3.591 20 10 EHCDMN C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)Cc1ccccc1O ZINC000111235465 1037730852 /nfs/dbraw/zinc/73/08/52/1037730852.db2.gz QCYCUUXABADUIZ-HOCLYGCPSA-N 0 1 344.480 3.638 20 10 EHCDMN COc1cccc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1OC ZINC000756422145 1038667886 /nfs/dbraw/zinc/66/78/86/1038667886.db2.gz LEYRYKVHDOISPP-LBPRGKRZSA-N 0 1 335.831 3.956 20 10 EHCDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccns1 ZINC000924713567 1039809658 /nfs/dbraw/zinc/80/96/58/1039809658.db2.gz GDDNJPYCPSABSE-MJBXVCDLSA-N 0 1 349.475 3.747 20 10 EHCDMN CCOC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C(C)C ZINC000788986234 1134200748 /nfs/dbraw/zinc/20/07/48/1134200748.db2.gz WAAFPYZVJJNFFF-BXUZGUMPSA-N 0 1 330.266 3.866 20 10 EHCDMN CCOc1ccc(O)c(CN2CCN([C@@H](C)c3ccsc3)CC2)c1 ZINC000765721458 1127736546 /nfs/dbraw/zinc/73/65/46/1127736546.db2.gz ZVJWMPWJJLORMX-HNNXBMFYSA-N 0 1 346.496 3.731 20 10 EHCDMN CCN(CC)c1ccc(CNCc2c(C)cc(C)nc2OC)cc1 ZINC001649060407 1128077208 /nfs/dbraw/zinc/07/72/08/1128077208.db2.gz NDNFOAIIHVCUEQ-UHFFFAOYSA-N 0 1 327.472 3.843 20 10 EHCDMN CC1=C(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000761982373 1121030002 /nfs/dbraw/zinc/03/00/02/1121030002.db2.gz KSTXZGRIGBQYCO-MRXNPFEDSA-N 0 1 348.874 3.627 20 10 EHCDMN 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ZINC000862221955 1137133022 /nfs/dbraw/zinc/13/30/22/1137133022.db2.gz LAAUINZZGRVHLR-HNNXBMFYSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000862221955 1137133024 /nfs/dbraw/zinc/13/30/24/1137133024.db2.gz LAAUINZZGRVHLR-HNNXBMFYSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC000862233170 1137133504 /nfs/dbraw/zinc/13/35/04/1137133504.db2.gz RXCXBKLHTCFVON-UHFFFAOYSA-N 0 1 347.256 3.929 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000862336450 1137138675 /nfs/dbraw/zinc/13/86/75/1137138675.db2.gz DZTVMXIIZNLFNE-INIZCTEOSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000862353971 1137139916 /nfs/dbraw/zinc/13/99/16/1137139916.db2.gz HFSOWAXTOXHUQW-GFCCVEGCSA-N 0 1 333.229 3.539 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000862353971 1137139917 /nfs/dbraw/zinc/13/99/17/1137139917.db2.gz HFSOWAXTOXHUQW-GFCCVEGCSA-N 0 1 333.229 3.539 20 10 EHCDMN CN(C)c1cc(F)c(CN2CCC(c3cccnc3)CC2)cc1F ZINC000862366606 1137140598 /nfs/dbraw/zinc/14/05/98/1137140598.db2.gz LFSDTPDFTCMRKV-UHFFFAOYSA-N 0 1 331.410 3.805 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862541627 1137149307 /nfs/dbraw/zinc/14/93/07/1137149307.db2.gz XZJAOBUXRHLKPK-ZDUSSCGKSA-N 0 1 348.240 3.850 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862541627 1137149309 /nfs/dbraw/zinc/14/93/09/1137149309.db2.gz XZJAOBUXRHLKPK-ZDUSSCGKSA-N 0 1 348.240 3.850 20 10 EHCDMN CCOc1cccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000825045614 1137163173 /nfs/dbraw/zinc/16/31/73/1137163173.db2.gz IBKGDAOWXMSDSC-CYBMUJFWSA-N 0 1 337.341 3.985 20 10 EHCDMN COC(=O)c1oc(CNCc2ccc(N3CCCCC3)cc2)cc1C ZINC000825168175 1137167828 /nfs/dbraw/zinc/16/78/28/1137167828.db2.gz VCAJLBXAYDEEHJ-UHFFFAOYSA-N 0 1 342.439 3.655 20 10 EHCDMN C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825247858 1137170593 /nfs/dbraw/zinc/17/05/93/1137170593.db2.gz YEQPYFCOASAIDQ-NSHDSACASA-N 0 1 336.229 3.581 20 10 EHCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000825293809 1137171756 /nfs/dbraw/zinc/17/17/56/1137171756.db2.gz BKOXBSPNILXDCD-UHFFFAOYSA-N 0 1 336.785 3.504 20 10 EHCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000825293809 1137171757 /nfs/dbraw/zinc/17/17/57/1137171757.db2.gz BKOXBSPNILXDCD-UHFFFAOYSA-N 0 1 336.785 3.504 20 10 EHCDMN CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825406270 1137177123 /nfs/dbraw/zinc/17/71/23/1137177123.db2.gz QILBJUKUVLUQBQ-LLVKDONJSA-N 0 1 335.245 3.963 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1Cl ZINC000825450362 1137178139 /nfs/dbraw/zinc/17/81/39/1137178139.db2.gz DZLLCRSTISVRAJ-AOMKIAJQSA-N 0 1 337.872 3.563 20 10 EHCDMN CC(C)N(Cc1cc2n(n1)CCCC2)Cc1ccc(N(C)C)cc1 ZINC000844278099 1137207914 /nfs/dbraw/zinc/20/79/14/1137207914.db2.gz KEKHIPVSGSSWCQ-UHFFFAOYSA-N 0 1 326.488 3.696 20 10 EHCDMN CC(C)[N@@H+](Cc1cc(Br)c(F)cc1[O-])C1CCOCC1 ZINC001144308290 1137271141 /nfs/dbraw/zinc/27/11/41/1137271141.db2.gz KXEBSKDALRXFFI-UHFFFAOYSA-N 0 1 346.240 3.683 20 10 EHCDMN Cc1ccc(C[N@H+](C)Cc2cc(Br)c(F)cc2[O-])cn1 ZINC001144307804 1137271261 /nfs/dbraw/zinc/27/12/61/1137271261.db2.gz IBUHCJZJKHIIGU-UHFFFAOYSA-N 0 1 339.208 3.629 20 10 EHCDMN Cc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)c1 ZINC000865426946 1137282832 /nfs/dbraw/zinc/28/28/32/1137282832.db2.gz JEWSRZHMCCFSJE-UHFFFAOYSA-N 0 1 346.421 3.524 20 10 EHCDMN Cc1cc2nccn2cc1NCc1cc(Br)ccc1O ZINC001171177773 1137288004 /nfs/dbraw/zinc/28/80/04/1137288004.db2.gz JJZXDNZECCFKHN-UHFFFAOYSA-N 0 1 332.201 3.723 20 10 EHCDMN CC[C@H](NCc1ccc2c(c1)CCO2)c1cccc(OC)c1OC ZINC000865758321 1137309078 /nfs/dbraw/zinc/30/90/78/1137309078.db2.gz CZINUFSGCLONTI-KRWDZBQOSA-N 0 1 327.424 3.880 20 10 EHCDMN Cc1cc(N(C)C)ccc1CN[C@H](Cc1ccccc1)c1nccn1C ZINC000846056128 1137327683 /nfs/dbraw/zinc/32/76/83/1137327683.db2.gz FPCNSZBAPLMGLW-OAQYLSRUSA-N 0 1 348.494 3.868 20 10 EHCDMN CN(C)c1ccc(CN[C@@H](Cc2ccccc2)c2nccn2C)cc1 ZINC000846056874 1137331256 /nfs/dbraw/zinc/33/12/56/1137331256.db2.gz IPXYXTCISBFXCQ-FQEVSTJZSA-N 0 1 334.467 3.560 20 10 EHCDMN C[C@@H](N[C@H](Cc1ccccc1)c1nccn1C)c1cc(F)ccc1O ZINC000846208203 1137339467 /nfs/dbraw/zinc/33/94/67/1137339467.db2.gz WVUJATXTCDXMAH-RDTXWAMCSA-N 0 1 339.414 3.899 20 10 EHCDMN C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000846178361 1137339843 /nfs/dbraw/zinc/33/98/43/1137339843.db2.gz IFJDVIVJVLONOO-DJJJIMSYSA-N 0 1 331.843 3.573 20 10 EHCDMN CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000846185061 1137340101 /nfs/dbraw/zinc/34/01/01/1137340101.db2.gz UPVQFIDMUIURFF-MISXGVKJSA-N 0 1 330.266 3.602 20 10 EHCDMN COc1ccc(OC)c([C@@H](C)NCc2ccc(N(C)C)c(C)c2)c1 ZINC000773002755 1137458016 /nfs/dbraw/zinc/45/80/16/1137458016.db2.gz YBMVNPOKMVMQIU-OAHLLOKOSA-N 0 1 328.456 3.929 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cc(Br)ccc1[O-] ZINC000714702362 1137473470 /nfs/dbraw/zinc/47/34/70/1137473470.db2.gz FMXYDEACENANEM-MPKXVKKWSA-N 0 1 328.250 3.620 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672670 1137685240 /nfs/dbraw/zinc/68/52/40/1137685240.db2.gz KDWTZJNXYCIELX-CZUORRHYSA-N 0 1 335.806 3.883 20 10 EHCDMN Cc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)nc1Cl ZINC000878240174 1137708230 /nfs/dbraw/zinc/70/82/30/1137708230.db2.gz DGVMDLKXVZVSHI-QGZVFWFLSA-N 0 1 346.858 3.930 20 10 EHCDMN Cc1cc(O)c(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1Cl ZINC000826043399 1137717097 /nfs/dbraw/zinc/71/70/97/1137717097.db2.gz IVSVZACLJLIBLQ-APWZRJJASA-N 0 1 349.833 3.654 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1[O-] ZINC000879669668 1137754652 /nfs/dbraw/zinc/75/46/52/1137754652.db2.gz UHQGKXXJUIDKML-ZIAGYGMSSA-N 0 1 331.309 3.721 20 10 EHCDMN CCCCN(Cc1ccccc1O)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879888460 1137761935 /nfs/dbraw/zinc/76/19/35/1137761935.db2.gz LKJQPVSOUUTLFO-AUUYWEPGSA-N 0 1 341.455 3.610 20 10 EHCDMN CCCN(CC(=O)Nc1cccc(SC)c1)Cc1ccccc1O ZINC000130724543 1137841518 /nfs/dbraw/zinc/84/15/18/1137841518.db2.gz RIZDLXPKARGLEW-UHFFFAOYSA-N 0 1 344.480 3.965 20 10 EHCDMN CC1(c2cccc(C[NH2+]Cc3c([O-])cccc3Cl)c2)OCCO1 ZINC000883127718 1137845643 /nfs/dbraw/zinc/84/56/43/1137845643.db2.gz DZYCGGNWFXDVEI-UHFFFAOYSA-N 0 1 333.815 3.555 20 10 EHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1nc2ccccc2n1C ZINC000091312986 1138218528 /nfs/dbraw/zinc/21/85/28/1138218528.db2.gz QBJOGDWOMVGLKX-ZDUSSCGKSA-N 0 1 326.419 3.629 20 10 EHCDMN COC[C@H](NCc1cc(Br)cc(C)c1O)c1ccco1 ZINC000182530849 1139978722 /nfs/dbraw/zinc/97/87/22/1139978722.db2.gz PDPGDZVGZAIJIC-ZDUSSCGKSA-N 0 1 340.217 3.533 20 10 EHCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C)c1cnccn1 ZINC000184591024 1140110514 /nfs/dbraw/zinc/11/05/14/1140110514.db2.gz DWPIYDSTPNAGEQ-LLVKDONJSA-N 0 1 336.233 3.528 20 10 EHCDMN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186075688 1140185585 /nfs/dbraw/zinc/18/55/85/1140185585.db2.gz KXMFNNUMVTVXQP-MNOVXSKESA-N 0 1 330.266 3.602 20 10 EHCDMN C[C@@H]([NH2+]CCCc1ccccn1)c1cc(Br)ccc1[O-] ZINC000186140435 1140188278 /nfs/dbraw/zinc/18/82/78/1140188278.db2.gz YSEPZOCIIZNVFA-GFCCVEGCSA-N 0 1 335.245 3.833 20 10 EHCDMN Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2O)cc1C(=O)N(C)C ZINC000187905965 1140276582 /nfs/dbraw/zinc/27/65/82/1140276582.db2.gz QBTBHTSYZZYMAE-LLVKDONJSA-N 0 1 334.366 3.854 20 10 EHCDMN COc1cc(C[N@@H+](Cc2cccc(Cl)c2[O-])C2CC2)ccc1O ZINC000191510324 1140469640 /nfs/dbraw/zinc/46/96/40/1140469640.db2.gz WLMHXLXBJLMFTB-UHFFFAOYSA-N 0 1 333.815 3.924 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1F ZINC000268798312 1140994521 /nfs/dbraw/zinc/99/45/21/1140994521.db2.gz AEWIPUIAKIQVAV-MRXNPFEDSA-N 0 1 342.458 3.885 20 10 EHCDMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccn1 ZINC000270881316 1141279046 /nfs/dbraw/zinc/27/90/46/1141279046.db2.gz FLRIVFUEWKEILJ-OWCLPIDISA-N 0 1 343.446 3.685 20 10 EHCDMN CN(C)c1ccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1F ZINC000271181869 1141319901 /nfs/dbraw/zinc/31/99/01/1141319901.db2.gz CQPKWAWNHMBPIJ-HNNXBMFYSA-N 0 1 344.434 3.532 20 10 EHCDMN CN(C)c1ccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)cc1F ZINC000271181869 1141319906 /nfs/dbraw/zinc/31/99/06/1141319906.db2.gz CQPKWAWNHMBPIJ-HNNXBMFYSA-N 0 1 344.434 3.532 20 10 EHCDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n[nH]1 ZINC000271543421 1141394220 /nfs/dbraw/zinc/39/42/20/1141394220.db2.gz RDANAQPIIGXKDR-UONOGXRCSA-N 0 1 345.466 3.908 20 10 EHCDMN C[C@@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H](C)S1 ZINC000828455775 600713615 /nfs/dbraw/zinc/71/36/15/600713615.db2.gz GMSSWODUQYPYKI-TXEJJXNPSA-N 0 1 331.437 3.569 20 10 EHCDMN C/C(=C\C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000833382230 605077053 /nfs/dbraw/zinc/07/70/53/605077053.db2.gz IANFDQJBKANCNS-ASNKMWSDSA-N 0 1 325.408 3.986 20 10 EHCDMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)ccc1N(C)C ZINC000849345755 979497673 /nfs/dbraw/zinc/49/76/73/979497673.db2.gz 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COc1ccccc1C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000160420537 1018764853 /nfs/dbraw/zinc/76/48/53/1018764853.db2.gz PEXHTIKKGAAAIQ-UHFFFAOYSA-N 0 1 336.229 3.795 20 10 EHCDMN CN1CCN(c2ccc(CNc3cccc(C(F)F)c3)cc2)CC1 ZINC001167434549 1020017737 /nfs/dbraw/zinc/01/77/37/1020017737.db2.gz PUTQVHPZBMWOKI-UHFFFAOYSA-N 0 1 331.410 3.988 20 10 EHCDMN [O-]c1c(F)cccc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000277074192 1023745563 /nfs/dbraw/zinc/74/55/63/1023745563.db2.gz RMZLOPZYWNLKRJ-UHFFFAOYSA-N 0 1 333.378 3.852 20 10 EHCDMN C[C@@H](NC1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000760041101 1024216216 /nfs/dbraw/zinc/21/62/16/1024216216.db2.gz VTUPUKYBNAZZQI-LLVKDONJSA-N 0 1 330.806 3.625 20 10 EHCDMN Cc1ccc(N2CCOCC2)cc1N[C@@H](C)c1ccc(F)c(F)c1O ZINC000281264294 1024819236 /nfs/dbraw/zinc/81/92/36/1024819236.db2.gz YCDKATRBKKXANE-ZDUSSCGKSA-N 0 1 348.393 3.989 20 10 EHCDMN Cc1c2ccccc2n(C)c1CNCc1ccc(Br)cn1 ZINC000475194385 1026359701 /nfs/dbraw/zinc/35/97/01/1026359701.db2.gz DXHJNWHGRFAPJT-UHFFFAOYSA-N 0 1 344.256 3.934 20 10 EHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000728559777 1029522829 /nfs/dbraw/zinc/52/28/29/1029522829.db2.gz JHATXTOQBDTVHF-SFHVURJKSA-N 0 1 337.419 3.703 20 10 EHCDMN Cc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)o1 ZINC000278325923 1030186253 /nfs/dbraw/zinc/18/62/53/1030186253.db2.gz VPRYFPJXDNINHB-CQSZACIVSA-N 0 1 346.446 3.847 20 10 EHCDMN C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc2ccccc2c1[O-] ZINC000528015444 1031632734 /nfs/dbraw/zinc/63/27/34/1031632734.db2.gz LZDHQUSPNQSJOC-OAHLLOKOSA-N 0 1 340.467 3.845 20 10 EHCDMN CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C12CCC2 ZINC000761202519 1034411287 /nfs/dbraw/zinc/41/12/87/1034411287.db2.gz FQWUMLSICLHVJB-HOTGVXAUSA-N 0 1 339.863 3.834 20 10 EHCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C12CCC2 ZINC000761202519 1034411298 /nfs/dbraw/zinc/41/12/98/1034411298.db2.gz FQWUMLSICLHVJB-HOTGVXAUSA-N 0 1 339.863 3.834 20 10 EHCDMN CC[N@H+](Cc1ccccc1O)Cc1cc(Br)ccc1[O-] ZINC000179584497 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CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756606242 1041228263 /nfs/dbraw/zinc/22/82/63/1041228263.db2.gz XACCMCFLMOFYRQ-LRDDRELGSA-N 0 1 344.293 3.993 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000311340881 1041274878 /nfs/dbraw/zinc/27/48/78/1041274878.db2.gz OZQGRCLNRJXHPG-BPNCWPANSA-N 0 1 328.250 3.620 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)c2ccc(C)nc2)c1[O-] ZINC000759910731 1041422165 /nfs/dbraw/zinc/42/21/65/1041422165.db2.gz MIKUAPWJAITQDY-UHFFFAOYSA-N 0 1 332.831 3.977 20 10 EHCDMN COc1ccc(C[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1OC ZINC000106481600 1042987415 /nfs/dbraw/zinc/98/74/15/1042987415.db2.gz KSDZFLHBYGLZLI-LBPRGKRZSA-N 0 1 335.831 3.784 20 10 EHCDMN C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000184914491 1126712340 /nfs/dbraw/zinc/71/23/40/1126712340.db2.gz JZXVSDGFMFMQHQ-ZACQAIPSSA-N 0 1 342.483 3.695 20 10 EHCDMN CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185522417 1126916154 /nfs/dbraw/zinc/91/61/54/1126916154.db2.gz PBDIHIJPWARFBC-HNNXBMFYSA-N 0 1 348.446 3.798 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000765005208 1127564284 /nfs/dbraw/zinc/56/42/84/1127564284.db2.gz HREWZNZKJYHSGM-OAHLLOKOSA-N 0 1 344.842 3.708 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000765005208 1127564286 /nfs/dbraw/zinc/56/42/86/1127564286.db2.gz HREWZNZKJYHSGM-OAHLLOKOSA-N 0 1 344.842 3.708 20 10 EHCDMN Oc1ccc2ccncc2c1CN1CCc2c(F)cc(F)cc2C1 ZINC000765147076 1127579133 /nfs/dbraw/zinc/57/91/33/1127579133.db2.gz VUIURNRONYBQNF-UHFFFAOYSA-N 0 1 326.346 3.777 20 10 EHCDMN COc1cc2c(cc1CNCc1ccc(N(C)C)cc1C)O[C@H](C)C2 ZINC000734509214 1131243094 /nfs/dbraw/zinc/24/30/94/1131243094.db2.gz IXBOAQZANVSEAO-OAHLLOKOSA-N 0 1 340.467 3.683 20 10 EHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000763332941 1121962711 /nfs/dbraw/zinc/96/27/11/1121962711.db2.gz QFLWDUVKUUKWJI-MRXNPFEDSA-N 0 1 337.419 3.561 20 10 EHCDMN O=C1N=C(NC2CCCCC2)SC1=Cc1cc(F)c(O)c(F)c1 ZINC000175320585 1123655488 /nfs/dbraw/zinc/65/54/88/1123655488.db2.gz ZBNWQOSFPKYDCS-MDWZMJQESA-N 0 1 338.379 3.563 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000732230037 1130902560 /nfs/dbraw/zinc/90/25/60/1130902560.db2.gz WHSIFMJTSKGDGN-CYBMUJFWSA-N 0 1 332.241 3.974 20 10 EHCDMN CCC1(O)CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000742175582 1131697440 /nfs/dbraw/zinc/69/74/40/1131697440.db2.gz IDXBKCGMRZZPTC-UHFFFAOYSA-N 0 1 329.440 3.754 20 10 EHCDMN CCN(CC)c1ccc(CNCc2ccc(C(=O)OC)cc2F)cc1 ZINC001177327995 1133055441 /nfs/dbraw/zinc/05/54/41/1133055441.db2.gz APYDBWJUNZYSNH-UHFFFAOYSA-N 0 1 344.430 3.748 20 10 EHCDMN CCN(C)c1ccc(CN(C)Cc2ccc(OC)cc2OC)cc1 ZINC000773732479 1133147434 /nfs/dbraw/zinc/14/74/34/1133147434.db2.gz BKVGSOJKYUEQSC-UHFFFAOYSA-N 0 1 328.456 3.792 20 10 EHCDMN COc1cc(Br)cc(C[N@H+]([C@H](C)C2CC2)C2CC2)c1[O-] ZINC000768532526 1133150983 /nfs/dbraw/zinc/15/09/83/1133150983.db2.gz MPGXMGQCVJLFPP-SNVBAGLBSA-N 0 1 340.261 3.926 20 10 EHCDMN COc1cc(Br)cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1[O-] ZINC000768532526 1133150985 /nfs/dbraw/zinc/15/09/85/1133150985.db2.gz MPGXMGQCVJLFPP-SNVBAGLBSA-N 0 1 340.261 3.926 20 10 EHCDMN CCOc1ccc(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(O)c1 ZINC000769108034 1133227952 /nfs/dbraw/zinc/22/79/52/1133227952.db2.gz XFFFAPGMGODFRG-FOIQADDNSA-N 0 1 327.424 3.753 20 10 EHCDMN CCC[N@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCCCO1 ZINC000769340866 1133266403 /nfs/dbraw/zinc/26/64/03/1133266403.db2.gz YENQYCHAQDKKJE-CQSZACIVSA-N 0 1 342.277 3.936 20 10 EHCDMN CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC001181390889 1133487147 /nfs/dbraw/zinc/48/71/47/1133487147.db2.gz NHVIGLJFPKIFOD-MRXNPFEDSA-N 0 1 342.277 3.528 20 10 EHCDMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC001181390889 1133487150 /nfs/dbraw/zinc/48/71/50/1133487150.db2.gz NHVIGLJFPKIFOD-MRXNPFEDSA-N 0 1 342.277 3.528 20 10 EHCDMN COC(=O)c1cc(CN(C)Cc2ccc(N3CCCC3)cc2)c(C)o1 ZINC001181554900 1133500053 /nfs/dbraw/zinc/50/00/53/1133500053.db2.gz HHQZOUWXRTUMJS-UHFFFAOYSA-N 0 1 342.439 3.607 20 10 EHCDMN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000771267546 1133533742 /nfs/dbraw/zinc/53/37/42/1133533742.db2.gz VVGCCENBVDIYCU-UHFFFAOYSA-N 0 1 347.422 3.714 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001183960134 1133881669 /nfs/dbraw/zinc/88/16/69/1133881669.db2.gz WDQHVNNIYXZJKX-CYBMUJFWSA-N 0 1 327.827 3.823 20 10 EHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787290095 1133985296 /nfs/dbraw/zinc/98/52/96/1133985296.db2.gz MDOADWBLFGPKJR-LBPRGKRZSA-N 0 1 336.794 3.623 20 10 EHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787290095 1133985302 /nfs/dbraw/zinc/98/53/02/1133985302.db2.gz MDOADWBLFGPKJR-LBPRGKRZSA-N 0 1 336.794 3.623 20 10 EHCDMN Oc1cccc(Cl)c1CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000787290095 1133985309 /nfs/dbraw/zinc/98/53/09/1133985309.db2.gz MDOADWBLFGPKJR-LBPRGKRZSA-N 0 1 336.794 3.623 20 10 EHCDMN CCN(Cc1ccc(N2CCN(C)CC2)cc1)c1ccc2[nH]ccc2c1 ZINC000788269230 1134106370 /nfs/dbraw/zinc/10/63/70/1134106370.db2.gz NUTHAVMVEXWRQO-UHFFFAOYSA-N 0 1 348.494 3.946 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000790947810 1134483853 /nfs/dbraw/zinc/48/38/53/1134483853.db2.gz BRIJHFRWAMPLRZ-SECBINFHSA-N 0 1 341.732 3.728 20 10 EHCDMN C[C@@H](O)[C@](C)(C[NH2+]Cc1cc(Cl)ccc1[O-])Cc1ccccc1 ZINC000791005174 1134492593 /nfs/dbraw/zinc/49/25/93/1134492593.db2.gz YMYCPYNQOGJIOJ-KUHUBIRLSA-N 0 1 333.859 3.765 20 10 EHCDMN COc1ccc(-c2ccncc2)cc1CNCc1ccc2c(c1)CCO2 ZINC000775307261 1134623220 /nfs/dbraw/zinc/62/32/20/1134623220.db2.gz FWDUBAJDBULDAQ-UHFFFAOYSA-N 0 1 346.430 3.982 20 10 EHCDMN Cc1ccccc1-c1nc(CNCc2cc(Cl)cc(F)c2O)no1 ZINC000792173787 1134662366 /nfs/dbraw/zinc/66/23/66/1134662366.db2.gz CLKGEPLKCXPTTD-UHFFFAOYSA-N 0 1 347.777 3.833 20 10 EHCDMN Clc1ccc2c(c1)CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000792178422 1134663413 /nfs/dbraw/zinc/66/34/13/1134663413.db2.gz CBGNQALRJUADON-UHFFFAOYSA-N 0 1 342.870 3.735 20 10 EHCDMN C[C@H](NCc1cnc([C@H]2CCCO2)s1)c1ccc(N(C)C)cc1 ZINC000775362492 1134667136 /nfs/dbraw/zinc/66/71/36/1134667136.db2.gz HKORPRPYNQWPIK-SUMWQHHRSA-N 0 1 331.485 3.911 20 10 EHCDMN CCCN(Cc1ccccc1O)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000772797640 1134698802 /nfs/dbraw/zinc/69/88/02/1134698802.db2.gz HQNJAMAJGVXSIU-HXUWFJFHSA-N 0 1 338.451 3.624 20 10 EHCDMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(O)c(C)c2C)c1 ZINC001191185811 1134822230 /nfs/dbraw/zinc/82/22/30/1134822230.db2.gz CAMSAMDBWLPSCL-UHFFFAOYSA-N 0 1 342.420 3.666 20 10 EHCDMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc(Br)ccc1O ZINC000793230318 1134880065 /nfs/dbraw/zinc/88/00/65/1134880065.db2.gz FWCWPGADICJRNB-LDYMZIIASA-N 0 1 338.167 3.927 20 10 EHCDMN CC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(Cl)ccc1[O-] ZINC000775489696 1134940964 /nfs/dbraw/zinc/94/09/64/1134940964.db2.gz XRIZKJIMAVSUPV-OAHLLOKOSA-N 0 1 325.836 3.772 20 10 EHCDMN CC[C@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1cc(Cl)ccc1[O-] ZINC000775493887 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20 10 EHCDMN N=C(NC(=O)c1cc(O)c(O)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC001193625550 1135161382 /nfs/dbraw/zinc/16/13/82/1135161382.db2.gz KEJIIHOZXYOHOF-UHFFFAOYSA-N 0 1 348.830 3.675 20 10 EHCDMN CC(C)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805179059 1135243159 /nfs/dbraw/zinc/24/31/59/1135243159.db2.gz PKFDNZPBROQUOB-UHFFFAOYSA-N 0 1 331.243 3.934 20 10 EHCDMN COc1cc2c(cc1OC)CN(Cc1cc(Cl)cc(C)c1O)CC2 ZINC000775642773 1135382095 /nfs/dbraw/zinc/38/20/95/1135382095.db2.gz HMCUXHHTUAOVLP-UHFFFAOYSA-N 0 1 347.842 3.930 20 10 EHCDMN COCC[N@@H+](Cc1cccs1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644563 1135394325 /nfs/dbraw/zinc/39/43/25/1135394325.db2.gz OLOQCTQELCRTJX-UHFFFAOYSA-N 0 1 329.824 3.895 20 10 EHCDMN C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775698384 1135532072 /nfs/dbraw/zinc/53/20/72/1135532072.db2.gz QPNAUHLTVALBHM-SNVBAGLBSA-N 0 1 346.830 3.530 20 10 EHCDMN COc1ccc(O)c(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)c1 ZINC000775701580 1135540154 /nfs/dbraw/zinc/54/01/54/1135540154.db2.gz SYPFBDLNKYIRRS-SFHVURJKSA-N 0 1 329.465 3.999 20 10 EHCDMN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)cc(C)c1O ZINC000775720542 1135575548 /nfs/dbraw/zinc/57/55/48/1135575548.db2.gz LASVYVBLRAZOEJ-IRXDYDNUSA-N 0 1 338.879 3.575 20 10 EHCDMN Cc1noc(Cl)c1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836171 1135580349 /nfs/dbraw/zinc/58/03/49/1135580349.db2.gz QCLWNBDJBSFBNL-UHFFFAOYSA-N 0 1 349.601 3.508 20 10 EHCDMN CC(C)(C)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)no1 ZINC000807839190 1135581771 /nfs/dbraw/zinc/58/17/71/1135581771.db2.gz JTGOZBIXUJIXQX-UHFFFAOYSA-N 0 1 343.210 3.915 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(C2(O)COC2)cc1 ZINC000808433017 1135675081 /nfs/dbraw/zinc/67/50/81/1135675081.db2.gz ADZJEGJBTRLWNI-UHFFFAOYSA-N 0 1 340.206 3.529 20 10 EHCDMN CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000808725183 1135722709 /nfs/dbraw/zinc/72/27/09/1135722709.db2.gz PIKISJUPRSSZDP-NSHDSACASA-N 0 1 330.266 3.868 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC000808696331 1135725184 /nfs/dbraw/zinc/72/51/84/1135725184.db2.gz PIHKIFBEYOPMOE-GUTXKFCHSA-N 0 1 338.879 3.652 20 10 EHCDMN C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc(Cl)c1[O-] ZINC000809702768 1135874301 /nfs/dbraw/zinc/87/43/01/1135874301.db2.gz YDZIJRKVSMLYSO-UHFFFAOYSA-N 0 1 343.814 3.770 20 10 EHCDMN COc1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1F ZINC000809713655 1135876423 /nfs/dbraw/zinc/87/64/23/1135876423.db2.gz WMZIYINRBJBBQM-UHFFFAOYSA-N 0 1 340.192 3.592 20 10 EHCDMN CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809720626 1135878306 /nfs/dbraw/zinc/87/83/06/1135878306.db2.gz JZPSBEBSVAZUAC-OAHLLOKOSA-N 0 1 340.851 3.535 20 10 EHCDMN CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809720626 1135878308 /nfs/dbraw/zinc/87/83/08/1135878308.db2.gz JZPSBEBSVAZUAC-OAHLLOKOSA-N 0 1 340.851 3.535 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220093 1135939614 /nfs/dbraw/zinc/93/96/14/1135939614.db2.gz PHJSTHVABPTHMZ-WCQYABFASA-N 0 1 337.407 3.566 20 10 EHCDMN CC[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224234 1135940641 /nfs/dbraw/zinc/94/06/41/1135940641.db2.gz SRSFOZYHGNCCDT-UKRRQHHQSA-N 0 1 347.377 3.647 20 10 EHCDMN CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228726 1135941657 /nfs/dbraw/zinc/94/16/57/1135941657.db2.gz KDXHUFWOPZPRRN-KOLCDFICSA-N 0 1 345.283 3.765 20 10 EHCDMN CC[C@H]([NH2+]CCc1nnc(C)s1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810243344 1135947184 /nfs/dbraw/zinc/94/71/84/1135947184.db2.gz NLFZHTQPRVKRAL-LBPRGKRZSA-N 0 1 345.390 3.854 20 10 EHCDMN CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000810244879 1135947188 /nfs/dbraw/zinc/94/71/88/1135947188.db2.gz JIICHNXTFDFZQT-RYUDHWBXSA-N 0 1 329.282 3.534 20 10 EHCDMN CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000810244492 1135947616 /nfs/dbraw/zinc/94/76/16/1135947616.db2.gz FOJGPFPAFXJXFD-RYUDHWBXSA-N 0 1 329.282 3.534 20 10 EHCDMN COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])CCO2 ZINC000825530545 1135954159 /nfs/dbraw/zinc/95/41/59/1135954159.db2.gz ONWFUBFSGFKOLQ-INIZCTEOSA-N 0 1 333.815 3.976 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000776150998 1136003613 /nfs/dbraw/zinc/00/36/13/1136003613.db2.gz DEVBRVINBMCICV-UHFFFAOYSA-N 0 1 327.815 3.564 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1Cc2ccccc2C1 ZINC000776174473 1136021635 /nfs/dbraw/zinc/02/16/35/1136021635.db2.gz AVPOWMDYGKXCMA-UHFFFAOYSA-N 0 1 332.241 3.659 20 10 EHCDMN CC(C)(C)OC(=O)N1CCCN1Cc1cc(Cl)cc(F)c1O ZINC000811502590 1136100964 /nfs/dbraw/zinc/10/09/64/1136100964.db2.gz BHGGFPWFVFDBGE-UHFFFAOYSA-N 0 1 330.787 3.543 20 10 EHCDMN COc1ccc(O)c(CNc2ccnc3cc(F)c(OC)cc32)c1 ZINC000811806368 1136139259 /nfs/dbraw/zinc/13/92/59/1136139259.db2.gz SRTAVVBXDSBSIU-UHFFFAOYSA-N 0 1 328.343 3.709 20 10 EHCDMN COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000850488818 1136270128 /nfs/dbraw/zinc/27/01/28/1136270128.db2.gz UKVQXKAJCRRYKJ-UKRRQHHQSA-N 0 1 346.858 3.984 20 10 EHCDMN COC[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000850494712 1136271110 /nfs/dbraw/zinc/27/11/10/1136271110.db2.gz WYWWHTBZFZPZOJ-IFXJQAMLSA-N 0 1 329.440 3.638 20 10 EHCDMN Cc1ccncc1CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000850506292 1136273746 /nfs/dbraw/zinc/27/37/46/1136273746.db2.gz ICAQAGXNMGIYGI-LBPRGKRZSA-N 0 1 335.245 3.751 20 10 EHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000747832236 1136279836 /nfs/dbraw/zinc/27/98/36/1136279836.db2.gz OOEDVVPRLNXBGG-IAGOWNOFSA-N 0 1 341.451 3.803 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000747832236 1136279838 /nfs/dbraw/zinc/27/98/38/1136279838.db2.gz OOEDVVPRLNXBGG-IAGOWNOFSA-N 0 1 341.451 3.803 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000747832236 1136279841 /nfs/dbraw/zinc/27/98/41/1136279841.db2.gz OOEDVVPRLNXBGG-IAGOWNOFSA-N 0 1 341.451 3.803 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000850558680 1136285313 /nfs/dbraw/zinc/28/53/13/1136285313.db2.gz STBYXGMKXZSMBX-QWHCGFSZSA-N 0 1 338.879 3.652 20 10 EHCDMN CCc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000850566754 1136287425 /nfs/dbraw/zinc/28/74/25/1136287425.db2.gz RZUZHCXZGACRKT-OAHLLOKOSA-N 0 1 328.456 3.654 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccncc1Cl ZINC000850568089 1136287803 /nfs/dbraw/zinc/28/78/03/1136287803.db2.gz OYRFCNMFIPEQSF-CQSZACIVSA-N 0 1 345.874 3.547 20 10 EHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1c(OC)cccc1OC ZINC000813334517 1136319666 /nfs/dbraw/zinc/31/96/66/1136319666.db2.gz NMTKQRAGNKPVAJ-UHFFFAOYSA-N 0 1 328.456 3.792 20 10 EHCDMN CC(C)c1ncncc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682870 1136356246 /nfs/dbraw/zinc/35/62/46/1136356246.db2.gz MAWAYFBMJKKLJT-UHFFFAOYSA-N 0 1 340.210 3.542 20 10 EHCDMN CSC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000814178848 1136411799 /nfs/dbraw/zinc/41/17/99/1136411799.db2.gz GBCLXTUTRGVOLJ-JTQLQIEISA-N 0 1 330.837 3.529 20 10 EHCDMN CC(C)N(Cc1n[nH]c(C(C)(C)C)n1)Cc1ccc(N(C)C)cc1 ZINC000814618657 1136481265 /nfs/dbraw/zinc/48/12/65/1136481265.db2.gz GBZLIFXVLRRJGE-UHFFFAOYSA-N 0 1 329.492 3.579 20 10 EHCDMN COc1ccc(F)c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000815119452 1136552020 /nfs/dbraw/zinc/55/20/20/1136552020.db2.gz YFKRIKUJVFKPIV-HNNXBMFYSA-N 0 1 344.430 3.522 20 10 EHCDMN CO[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCC1 ZINC000854473635 1136619125 /nfs/dbraw/zinc/61/91/25/1136619125.db2.gz CCMSYPUQRPANEE-AWEZNQCLSA-N 0 1 332.227 3.520 20 10 EHCDMN CN(C(=O)C[N@@H+](C)Cc1ccc2ccccc2c1O)C1CCCCC1 ZINC000816486198 1136723571 /nfs/dbraw/zinc/72/35/71/1136723571.db2.gz STUOGLUFYSAZNP-UHFFFAOYSA-N 0 1 340.467 3.768 20 10 EHCDMN CN(CC(=O)N(C)C1CCCCC1)Cc1ccc2ccccc2c1O ZINC000816486198 1136723574 /nfs/dbraw/zinc/72/35/74/1136723574.db2.gz STUOGLUFYSAZNP-UHFFFAOYSA-N 0 1 340.467 3.768 20 10 EHCDMN CC[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCN1CC(F)F ZINC000816516656 1136730076 /nfs/dbraw/zinc/73/00/76/1136730076.db2.gz MHMGXMPSAIONHP-INIZCTEOSA-N 0 1 334.410 3.707 20 10 EHCDMN CC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCN1CC(F)F ZINC000816516656 1136730079 /nfs/dbraw/zinc/73/00/79/1136730079.db2.gz MHMGXMPSAIONHP-INIZCTEOSA-N 0 1 334.410 3.707 20 10 EHCDMN COc1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])c(OC)c1 ZINC000816544038 1136731784 /nfs/dbraw/zinc/73/17/84/1136731784.db2.gz VYEVOSGYNLJZMB-UHFFFAOYSA-N 0 1 337.419 3.895 20 10 EHCDMN [O-]c1c(C[NH2+]Cc2ccccc2N2CCOCC2)ccc2ccccc21 ZINC000816541068 1136731807 /nfs/dbraw/zinc/73/18/07/1136731807.db2.gz BPOKBBDYMPGKCS-UHFFFAOYSA-N 0 1 348.446 3.672 20 10 EHCDMN Cn1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])c(C(F)(F)F)n1 ZINC000816557892 1136736746 /nfs/dbraw/zinc/73/67/46/1136736746.db2.gz FTVOAFUCNOJRIQ-UHFFFAOYSA-N 0 1 335.329 3.588 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000816615993 1136741555 /nfs/dbraw/zinc/74/15/55/1136741555.db2.gz LNOYLYMJVOTOOW-HOTGVXAUSA-N 0 1 325.811 3.718 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](CC(F)(F)F)C2)c1O ZINC000817281708 1136791294 /nfs/dbraw/zinc/79/12/94/1136791294.db2.gz NTGUQESQUBBGRE-LLVKDONJSA-N 0 1 333.325 3.898 20 10 EHCDMN CC[C@@H](N[C@@H](C)c1ncc(C(=O)OC)s1)c1ccc(C)cc1O ZINC000818355905 1136875715 /nfs/dbraw/zinc/87/57/15/1136875715.db2.gz KZRNNWLMDXLTDY-WCQYABFASA-N 0 1 334.441 3.746 20 10 EHCDMN CN(C)c1cc(F)c(CNC[C@@H](O)c2ccccc2Cl)cc1F ZINC000858143460 1136943534 /nfs/dbraw/zinc/94/35/34/1136943534.db2.gz ZCMCVBOEHBAGBL-QGZVFWFLSA-N 0 1 340.801 3.507 20 10 EHCDMN COc1cccc2c1CC[C@@H]2NCc1cc(F)c(N(C)C)cc1F ZINC000858149985 1136944167 /nfs/dbraw/zinc/94/41/67/1136944167.db2.gz BXZGEXSJXHWWMQ-KRWDZBQOSA-N 0 1 332.394 3.817 20 10 EHCDMN COCC[C@H](NCc1c(O)cccc1Br)c1ccco1 ZINC000858157858 1136945194 /nfs/dbraw/zinc/94/51/94/1136945194.db2.gz RQZBHTYFDRVOKJ-ZDUSSCGKSA-N 0 1 340.217 3.615 20 10 EHCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)c1ccccn1 ZINC000858171190 1136945883 /nfs/dbraw/zinc/94/58/83/1136945883.db2.gz TZYMMGOVZKMVJS-UHFFFAOYSA-N 0 1 335.245 3.617 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(Cl)ccc1[O-] ZINC000858538436 1136977135 /nfs/dbraw/zinc/97/71/35/1136977135.db2.gz WBMPJSHUNAAETE-DAYGRLMNSA-N 0 1 348.830 3.717 20 10 EHCDMN C[C@H](NCc1cc(O)ccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000859230194 1137008930 /nfs/dbraw/zinc/00/89/30/1137008930.db2.gz SYGQLMIJFXEIFG-AWEZNQCLSA-N 0 1 346.858 3.733 20 10 EHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862351390 1137139480 /nfs/dbraw/zinc/13/94/80/1137139480.db2.gz OKHWLBDFRVOBGL-PSASIEDQSA-N 0 1 338.167 3.927 20 10 EHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])cccc1Br ZINC000862351390 1137139482 /nfs/dbraw/zinc/13/94/82/1137139482.db2.gz OKHWLBDFRVOBGL-PSASIEDQSA-N 0 1 338.167 3.927 20 10 EHCDMN CC1(C)CN(Cc2c(O)cccc2Br)[C@@H]1[C@H]1CCCO1 ZINC000862371905 1137141100 /nfs/dbraw/zinc/14/11/00/1137141100.db2.gz NSHMPTKDVDKKNU-HUUCEWRRSA-N 0 1 340.261 3.544 20 10 EHCDMN CC(C)COC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824601345 1137144556 /nfs/dbraw/zinc/14/45/56/1137144556.db2.gz IJLVECFGCNCPRZ-UHFFFAOYSA-N 0 1 342.277 3.792 20 10 EHCDMN CC(C)OCCOC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000825207854 1137168855 /nfs/dbraw/zinc/16/88/55/1137168855.db2.gz OQCFZURVOFMBFC-UHFFFAOYSA-N 0 1 343.467 3.951 20 10 EHCDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])C1(O)CCCC1 ZINC000825232062 1137170151 /nfs/dbraw/zinc/17/01/51/1137170151.db2.gz NDPJLNYMTMFPBM-UHFFFAOYSA-N 0 1 342.277 3.576 20 10 EHCDMN CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cn1 ZINC000825253950 1137170805 /nfs/dbraw/zinc/17/08/05/1137170805.db2.gz KKVAWICZSNALNB-NSHDSACASA-N 0 1 338.249 3.783 20 10 EHCDMN CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000825299861 1137172014 /nfs/dbraw/zinc/17/20/14/1137172014.db2.gz QHKOAICVBREMLL-UKRRQHHQSA-N 0 1 328.250 3.592 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1Cl ZINC000825277849 1137172674 /nfs/dbraw/zinc/17/26/74/1137172674.db2.gz GSZPRIDLYCIBQF-OAHLLOKOSA-N 0 1 344.842 3.529 20 10 EHCDMN CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])c2ccccc21 ZINC000825385113 1137175931 /nfs/dbraw/zinc/17/59/31/1137175931.db2.gz RBJUOSVZUHOGDT-QGZVFWFLSA-N 0 1 344.842 3.942 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000825515142 1137180597 /nfs/dbraw/zinc/18/05/97/1137180597.db2.gz XVXRGRIJLNHKSK-AWEZNQCLSA-N 0 1 328.250 3.594 20 10 EHCDMN C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000863547897 1137191868 /nfs/dbraw/zinc/19/18/68/1137191868.db2.gz SCBXMHZEYKNMDS-FXPVBKGRSA-N 0 1 347.684 3.599 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000794827085 1137267687 /nfs/dbraw/zinc/26/76/87/1137267687.db2.gz HAXZLXWCCKLFQL-ZBFHGGJFSA-N 0 1 346.421 3.843 20 10 EHCDMN CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000794834187 1137271393 /nfs/dbraw/zinc/27/13/93/1137271393.db2.gz XUDUFWZNQFGMNG-VXGBXAGGSA-N 0 1 329.282 3.536 20 10 EHCDMN COc1cccc([C@@H](C)NCc2nc3cccc(Cl)c3n2C)c1O ZINC000846162267 1137337161 /nfs/dbraw/zinc/33/71/61/1137337161.db2.gz CNRJIEDCEXHCMV-LLVKDONJSA-N 0 1 345.830 3.792 20 10 EHCDMN COc1cccc([C@H](C)N[C@@H]2CCCc3cn(C(C)C)nc32)c1O ZINC000846164241 1137337496 /nfs/dbraw/zinc/33/74/96/1137337496.db2.gz NGVRUUMLRGPKLJ-XJKSGUPXSA-N 0 1 329.444 3.906 20 10 EHCDMN C[C@H](NCC(=O)NC1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000772982429 1137409856 /nfs/dbraw/zinc/40/98/56/1137409856.db2.gz VMVCNOKVQMDTID-HNNXBMFYSA-N 0 1 347.478 3.525 20 10 EHCDMN CCN(C)c1ccc([C@H](C)NCc2cccc3c2OCCO3)cc1 ZINC000772983352 1137410752 /nfs/dbraw/zinc/41/07/52/1137410752.db2.gz LJOKRJCSILKPMS-HNNXBMFYSA-N 0 1 326.440 3.765 20 10 EHCDMN CCCCN(Cc1c(C(F)(F)F)cnn1C)Cc1ccccc1O ZINC000825790097 1137633193 /nfs/dbraw/zinc/63/31/93/1137633193.db2.gz YUQVDSIDVOYXDK-UHFFFAOYSA-N 0 1 341.377 3.947 20 10 EHCDMN CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(C)cc1O ZINC000876767682 1137660831 /nfs/dbraw/zinc/66/08/31/1137660831.db2.gz BUUPXKXEUOZBPC-UHFFFAOYSA-N 0 1 326.440 3.778 20 10 EHCDMN C[C@H]1CN(c2ccccc2NCc2ccc(F)c(F)c2O)C[C@H](C)O1 ZINC000876817799 1137662415 /nfs/dbraw/zinc/66/24/15/1137662415.db2.gz GRWICAPGTNCUCA-STQMWFEESA-N 0 1 348.393 3.896 20 10 EHCDMN Cc1cccc(O)c1CNc1ccccc1CN1CCSCC1 ZINC000876853154 1137663743 /nfs/dbraw/zinc/66/37/43/1137663743.db2.gz FWVFARVZEFQORI-UHFFFAOYSA-N 0 1 328.481 3.862 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)cc1Cl ZINC000877645482 1137684228 /nfs/dbraw/zinc/68/42/28/1137684228.db2.gz MOGJUKSNYDXQHR-MRXNPFEDSA-N 0 1 332.831 3.540 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)cc1Cl ZINC000877645482 1137684229 /nfs/dbraw/zinc/68/42/29/1137684229.db2.gz MOGJUKSNYDXQHR-MRXNPFEDSA-N 0 1 332.831 3.540 20 10 EHCDMN CC(=O)Nc1cccc2c1C[N@@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC000877681651 1137685619 /nfs/dbraw/zinc/68/56/19/1137685619.db2.gz RHTRNRGLWMIMDX-UHFFFAOYSA-N 0 1 330.815 3.562 20 10 EHCDMN Cc1cccc(O)c1CNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000877733078 1137687107 /nfs/dbraw/zinc/68/71/07/1137687107.db2.gz QLLBPMJXEIDCIF-UHFFFAOYSA-N 0 1 339.361 3.542 20 10 EHCDMN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826029279 1137706952 /nfs/dbraw/zinc/70/69/52/1137706952.db2.gz CANRYNSZPNFZJV-NSHDSACASA-N 0 1 325.758 3.801 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1Cl ZINC000826064039 1137725520 /nfs/dbraw/zinc/72/55/20/1137725520.db2.gz COPPVVFIHZTRDL-MAUKXSAKSA-N 0 1 332.831 3.759 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000826130741 1137762124 /nfs/dbraw/zinc/76/21/24/1137762124.db2.gz MAPMGZGUMDHYJZ-LBPRGKRZSA-N 0 1 342.302 3.778 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Br)ccc1[O-] ZINC000379986550 1137936328 /nfs/dbraw/zinc/93/63/28/1137936328.db2.gz LJPIZZBINKHHDD-GXTWGEPZSA-N 0 1 326.234 3.888 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886300408 1138065604 /nfs/dbraw/zinc/06/56/04/1138065604.db2.gz HJWRTXVLDPBBIB-MRXNPFEDSA-N 0 1 339.863 3.501 20 10 EHCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)c1cnccn1 ZINC000184591003 1140110356 /nfs/dbraw/zinc/11/03/56/1140110356.db2.gz DWPIYDSTPNAGEQ-NSHDSACASA-N 0 1 336.233 3.528 20 10 EHCDMN COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185012133 1140131473 /nfs/dbraw/zinc/13/14/73/1140131473.db2.gz DRNAMFHZBVMPAS-ZDUSSCGKSA-N 0 1 335.831 3.922 20 10 EHCDMN CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185214897 1140139953 /nfs/dbraw/zinc/13/99/53/1140139953.db2.gz COWZDCDNDNYXQH-ZDUSSCGKSA-N 0 1 338.879 3.733 20 10 EHCDMN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000186074723 1140185766 /nfs/dbraw/zinc/18/57/66/1140185766.db2.gz SZZPSMHRCUOMPB-QWRGUYRKSA-N 0 1 330.266 3.602 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc2ccccc2c1[O-] ZINC000186171707 1140190257 /nfs/dbraw/zinc/19/02/57/1140190257.db2.gz KXEOWPHMKAPUJC-RDJZCZTQSA-N 0 1 333.435 3.870 20 10 EHCDMN Oc1c(Cl)cccc1CN1CCSC[C@H]1c1nccs1 ZINC000186642800 1140214614 /nfs/dbraw/zinc/21/46/14/1140214614.db2.gz RMRCEUYRDVVZLO-LBPRGKRZSA-N 0 1 326.874 3.792 20 10 EHCDMN COc1cc(F)c(N[C@H](C)c2ccc(F)c(F)c2O)cc1OC ZINC000187876970 1140275136 /nfs/dbraw/zinc/27/51/36/1140275136.db2.gz MZDSIKIMRIRDOV-MRVPVSSYSA-N 0 1 327.302 4.000 20 10 EHCDMN CCOCc1cc(CN[C@H]2CCOc3c(F)cccc32)ccc1OC ZINC000191119446 1140437203 /nfs/dbraw/zinc/43/72/03/1140437203.db2.gz KWCRBEFJEBEKIT-SFHVURJKSA-N 0 1 345.414 3.984 20 10 EHCDMN Cc1ccc(C)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000738573715 600143977 /nfs/dbraw/zinc/14/39/77/600143977.db2.gz HDRWPQFPWLMDID-UHFFFAOYSA-N 0 1 333.815 3.749 20 10 EHCDMN Cc1cc(O)c(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594326335 958176481 /nfs/dbraw/zinc/17/64/81/958176481.db2.gz BKLYZFVWDHGTAV-AWEZNQCLSA-N 0 1 331.799 3.538 20 10 EHCDMN CCc1[nH]c(C[N@H+](C)Cc2ccc(N(CC)CC)cc2)cc1C(=O)[O-] ZINC001597380568 987576637 /nfs/dbraw/zinc/57/66/37/987576637.db2.gz QKOFPJPIMHZAEU-UHFFFAOYSA-N 0 1 343.471 3.754 20 10 EHCDMN C[C@@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)[C@@H](C)CO1 ZINC001204432517 1015566300 /nfs/dbraw/zinc/56/63/00/1015566300.db2.gz TWNNAJFRJWPXPJ-JKSUJKDBSA-N 0 1 330.497 3.994 20 10 EHCDMN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000183381575 1032165128 /nfs/dbraw/zinc/16/51/28/1032165128.db2.gz GDLHTQZIWXJLBY-CYBMUJFWSA-N 0 1 342.830 3.819 20 10 EHCDMN C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000185025962 1032338848 /nfs/dbraw/zinc/33/88/48/1032338848.db2.gz RKHKZNSAHFFJHX-ZDUSSCGKSA-N 0 1 331.847 3.760 20 10 EHCDMN C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc2ccccc2c1[O-] ZINC000184989517 1032350516 /nfs/dbraw/zinc/35/05/16/1032350516.db2.gz JUULVEWWXQJHHA-HNNXBMFYSA-N 0 1 344.418 3.977 20 10 EHCDMN CC(C)Oc1ncccc1CNCc1ccc(N2CCCC2)cc1 ZINC000378956627 1017516887 /nfs/dbraw/zinc/51/68/87/1017516887.db2.gz MLYUQUQXDKANNM-UHFFFAOYSA-N 0 1 325.456 3.759 20 10 EHCDMN COc1cc(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(O)cc1C ZINC000160406112 1018735464 /nfs/dbraw/zinc/73/54/64/1018735464.db2.gz JDAUUORGPPDJIS-UGSOOPFHSA-N 0 1 333.453 3.733 20 10 EHCDMN CCc1cc(OC)ccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167431369 1019898338 /nfs/dbraw/zinc/89/83/38/1019898338.db2.gz VUGJECPJZIVOQI-UHFFFAOYSA-N 0 1 339.483 3.622 20 10 EHCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000280333521 1020314030 /nfs/dbraw/zinc/31/40/30/1020314030.db2.gz HWESFJDGIVPXPO-QGZVFWFLSA-N 0 1 325.836 3.639 20 10 EHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(C3CC3)no2)C1 ZINC000345882245 1020571201 /nfs/dbraw/zinc/57/12/01/1020571201.db2.gz MDICPBHRJDEWBQ-UHFFFAOYSA-N 0 1 336.439 3.717 20 10 EHCDMN Cc1cncc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000760440895 1032958090 /nfs/dbraw/zinc/95/80/90/1032958090.db2.gz LBGJSWCKIIUVEN-UHFFFAOYSA-N 0 1 340.427 3.578 20 10 EHCDMN CC1(C)CC2(CC([NH2+]Cc3cc(Br)ccc3[O-])C2)CO1 ZINC000894431752 1022272728 /nfs/dbraw/zinc/27/27/28/1022272728.db2.gz JVLMHYZXCAVARP-UHFFFAOYSA-N 0 1 340.261 3.592 20 10 EHCDMN C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc2ccccc2c1[O-] ZINC000277067953 1023733890 /nfs/dbraw/zinc/73/38/90/1023733890.db2.gz IPMACXCESYVNDL-OAHLLOKOSA-N 0 1 348.450 3.655 20 10 EHCDMN O=C1CCC[C@H](c2cccc(NCc3ccc(F)c(F)c3O)c2)N1 ZINC000895895120 1024940715 /nfs/dbraw/zinc/94/07/15/1024940715.db2.gz SWMRGQUOROUMMI-OAHLLOKOSA-N 0 1 332.350 3.624 20 10 EHCDMN CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000192882367 1026572559 /nfs/dbraw/zinc/57/25/59/1026572559.db2.gz XYHUIUMZBILQOY-AWEZNQCLSA-N 0 1 342.439 3.817 20 10 EHCDMN CC(C)c1nnc([C@@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000273494820 1027457021 /nfs/dbraw/zinc/45/70/21/1027457021.db2.gz OZCFWYVZSIMGLT-QWHCGFSZSA-N 0 1 328.460 3.924 20 10 EHCDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)nc1 ZINC000179108580 1027838399 /nfs/dbraw/zinc/83/83/99/1027838399.db2.gz SRGWICUUHWIDAE-ZDUSSCGKSA-N 0 1 349.837 3.562 20 10 EHCDMN CCCN(CCC)C(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000759693720 1030930088 /nfs/dbraw/zinc/93/00/88/1030930088.db2.gz JCQGIZWCKMQIKD-UHFFFAOYSA-N 0 1 345.531 3.757 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000527933646 1031498939 /nfs/dbraw/zinc/49/89/39/1031498939.db2.gz PLFRWCTYJYLQJI-NOZJJQNGSA-N 0 1 333.741 3.696 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(Cl)ccc1[O-] ZINC000527999526 1031559936 /nfs/dbraw/zinc/55/99/36/1031559936.db2.gz BKMOOBZUIXXBEQ-BDJLRTHQSA-N 0 1 330.815 3.523 20 10 EHCDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cnn(CC2CCC2)c1 ZINC000898184149 1033383532 /nfs/dbraw/zinc/38/35/32/1033383532.db2.gz RBYKEJGVAIREAC-OAHLLOKOSA-N 0 1 325.456 3.859 20 10 EHCDMN CC(C)(C)c1ncc2c(n1)CCN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000529641268 1034333088 /nfs/dbraw/zinc/33/30/88/1034333088.db2.gz KXXCOVYASKIYIP-UHFFFAOYSA-N 0 1 349.837 3.831 20 10 EHCDMN COc1cc(Br)cc(CNCc2ccc(Cl)o2)c1O ZINC000725841592 1034689291 /nfs/dbraw/zinc/68/92/91/1034689291.db2.gz IJQDYASXEZVJFM-UHFFFAOYSA-N 0 1 346.608 3.700 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000761225686 1034806074 /nfs/dbraw/zinc/80/60/74/1034806074.db2.gz HCOPPQPIYRQFSK-GOSISDBHSA-N 0 1 331.843 3.819 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000761225686 1034806088 /nfs/dbraw/zinc/80/60/88/1034806088.db2.gz HCOPPQPIYRQFSK-GOSISDBHSA-N 0 1 331.843 3.819 20 10 EHCDMN CC(C)C[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])N(C)C ZINC000756398418 1038517770 /nfs/dbraw/zinc/51/77/70/1038517770.db2.gz FSPXESUAYKTUNJ-OCCSQVGLSA-N 0 1 343.309 3.782 20 10 EHCDMN C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc2ccccc2c1[O-] ZINC000363859358 1038704201 /nfs/dbraw/zinc/70/42/01/1038704201.db2.gz FRWOKOVSIUICLJ-HNNXBMFYSA-N 0 1 344.418 3.977 20 10 EHCDMN Cc1noc2ncc(CN(Cc3ccc(N(C)C)cc3)C3CC3)cc12 ZINC000893929589 1039841768 /nfs/dbraw/zinc/84/17/68/1039841768.db2.gz UXHHXCJNVQARTF-UHFFFAOYSA-N 0 1 336.439 3.762 20 10 EHCDMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894083780 1040041620 /nfs/dbraw/zinc/04/16/20/1040041620.db2.gz FOEYCUIJQCLQHZ-QVQLBTGDSA-N 0 1 339.407 3.601 20 10 EHCDMN Cc1cc(C)c(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c(C)c1 ZINC000111235738 1040668510 /nfs/dbraw/zinc/66/85/10/1040668510.db2.gz IMMZNEWAMIZTPB-INIZCTEOSA-N 0 1 326.440 3.776 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000311340884 1041275611 /nfs/dbraw/zinc/27/56/11/1041275611.db2.gz OZQGRCLNRJXHPG-SWHYSGLUSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Br)ccc1[O-] ZINC000769983999 1133371948 /nfs/dbraw/zinc/37/19/48/1133371948.db2.gz CDKBICZCZIXTTF-NOZJJQNGSA-N 0 1 342.258 3.600 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCCOCC1)c1cc(Br)ccc1[O-] ZINC000186310131 1042657038 /nfs/dbraw/zinc/65/70/38/1042657038.db2.gz WWFNHUANDTUPCN-JSGCOSHPSA-N 0 1 328.250 3.765 20 10 EHCDMN C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367485 1042657690 /nfs/dbraw/zinc/65/76/90/1042657690.db2.gz BWVGJXJNODYHGP-KWQFWETISA-N 0 1 336.632 3.988 20 10 EHCDMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367485 1042657692 /nfs/dbraw/zinc/65/76/92/1042657692.db2.gz BWVGJXJNODYHGP-KWQFWETISA-N 0 1 336.632 3.988 20 10 EHCDMN CC[N@H+](CCCCCOC)Cc1cc(Br)ccc1[O-] ZINC000076118426 1044172588 /nfs/dbraw/zinc/17/25/88/1044172588.db2.gz AZRWGICZPFACEF-UHFFFAOYSA-N 0 1 330.266 3.793 20 10 EHCDMN CC[N@@H+](CCCCCOC)Cc1cc(Br)ccc1[O-] ZINC000076118426 1044172594 /nfs/dbraw/zinc/17/25/94/1044172594.db2.gz AZRWGICZPFACEF-UHFFFAOYSA-N 0 1 330.266 3.793 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(Cl)c1 ZINC001560330338 1126210166 /nfs/dbraw/zinc/21/01/66/1126210166.db2.gz LVAYYHBFTKJGNK-AWEZNQCLSA-N 0 1 344.842 3.529 20 10 EHCDMN C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc2ccccc2c1[O-] ZINC000185444139 1126903236 /nfs/dbraw/zinc/90/32/36/1126903236.db2.gz ARVRUFRPEMNSQT-HNNXBMFYSA-N 0 1 340.467 3.845 20 10 EHCDMN Cc1occc1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765394989 1127605953 /nfs/dbraw/zinc/60/59/53/1127605953.db2.gz DQOCFEQEXUMIEM-CYBMUJFWSA-N 0 1 334.847 3.929 20 10 EHCDMN COc1ccc(CNCc2ccc(F)cc2F)cc1Cn1cccn1 ZINC001648960598 1120280958 /nfs/dbraw/zinc/28/09/58/1120280958.db2.gz RWSZIBAGZJPWSC-UHFFFAOYSA-N 0 1 343.377 3.508 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1cccc2cccnc21 ZINC001648973326 1120293434 /nfs/dbraw/zinc/29/34/34/1120293434.db2.gz JJABUJJPFVCOCE-UHFFFAOYSA-N 0 1 343.224 3.993 20 10 EHCDMN CCN(CC)c1ccc(CN(C)Cc2cc(C)c(C(=O)OC)o2)cc1 ZINC000914796130 1120989328 /nfs/dbraw/zinc/98/93/28/1120989328.db2.gz DABKFPJOVKALDG-UHFFFAOYSA-N 0 1 344.455 3.853 20 10 EHCDMN Cc1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c(C)n1-c1ccccn1 ZINC000914849743 1121005207 /nfs/dbraw/zinc/00/52/07/1121005207.db2.gz USUIAALDRNWOKM-UHFFFAOYSA-N 0 1 345.406 3.926 20 10 EHCDMN Cc1cc([C@H]2CN(Cc3cc4c(cc3O)CCC4)CCO2)ccc1F ZINC000763335129 1121967758 /nfs/dbraw/zinc/96/77/58/1121967758.db2.gz YHMZWLDJRONPPF-OAQYLSRUSA-N 0 1 341.426 3.902 20 10 EHCDMN CC[C@@H]1CCCCN1C(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075249 1122472076 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CCN(CC)c1ccc(CN2CC[C@H](n3cc(C)cn3)C2)cc1F ZINC000811518144 1136098272 /nfs/dbraw/zinc/09/82/72/1136098272.db2.gz HWHIWIPPHQRTTD-KRWDZBQOSA-N 0 1 330.451 3.624 20 10 EHCDMN Oc1ccc(Br)cc1CNCc1c(F)cccc1F ZINC000776249248 1136107738 /nfs/dbraw/zinc/10/77/38/1136107738.db2.gz VPXOWZJBHPAJHW-UHFFFAOYSA-N 0 1 328.156 3.723 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811782327 1136134946 /nfs/dbraw/zinc/13/49/46/1136134946.db2.gz DCOSQTFWPFOFCK-QFIPXVFZSA-N 0 1 346.430 3.910 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811782327 1136134950 /nfs/dbraw/zinc/13/49/50/1136134950.db2.gz DCOSQTFWPFOFCK-QFIPXVFZSA-N 0 1 346.430 3.910 20 10 EHCDMN CCN(CC)c1ccc(CNCc2c(C3CC3)cnn2C)cc1F ZINC000850129637 1136212809 /nfs/dbraw/zinc/21/28/09/1136212809.db2.gz WBHATRNLHIQWLK-UHFFFAOYSA-N 0 1 330.451 3.573 20 10 EHCDMN CC[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cc(Cl)ccc1[O-] ZINC000812737602 1136239801 /nfs/dbraw/zinc/23/98/01/1136239801.db2.gz QCZZBORYITXZTC-OAHLLOKOSA-N 0 1 333.863 3.899 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000812773154 1136245361 /nfs/dbraw/zinc/24/53/61/1136245361.db2.gz YZFBUSBUNKZJSI-CYBMUJFWSA-N 0 1 334.822 3.801 20 10 EHCDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000850435216 1136258770 /nfs/dbraw/zinc/25/87/70/1136258770.db2.gz JZOMGUWTTHCCDG-AWEZNQCLSA-N 0 1 343.427 3.829 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000850482472 1136267490 /nfs/dbraw/zinc/26/74/90/1136267490.db2.gz SMERBOXBAFTQKC-AAEUAGOBSA-N 0 1 341.293 3.678 20 10 EHCDMN CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000850520703 1136276313 /nfs/dbraw/zinc/27/63/13/1136276313.db2.gz GNYIYVHEHCYQAX-AAEUAGOBSA-N 0 1 339.304 3.876 20 10 EHCDMN C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cc(Br)ccc1[O-] ZINC000850530478 1136279556 /nfs/dbraw/zinc/27/95/56/1136279556.db2.gz ZBMWLBQQCKEKMC-UDTVLSCZSA-N 0 1 348.240 3.984 20 10 EHCDMN CNC(=O)CC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCCCC1 ZINC000850554872 1136284658 /nfs/dbraw/zinc/28/46/58/1136284658.db2.gz GYJKNXAFGWJMKN-HIFRSBDPSA-N 0 1 348.462 3.756 20 10 EHCDMN CC[C@H](C)CC[C@H](O)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684964 1136356485 /nfs/dbraw/zinc/35/64/85/1136356485.db2.gz ZENCFNUVARBTFJ-GWCFXTLKSA-N 0 1 348.270 3.893 20 10 EHCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccn1 ZINC000813686304 1136356841 /nfs/dbraw/zinc/35/68/41/1136356841.db2.gz YHHDFLGBTXRCMV-SECBINFHSA-N 0 1 325.195 3.514 20 10 EHCDMN CN(C)c1ccc(CN[C@H]2CCc3ccccc3-n3ccnc32)cc1 ZINC000853093845 1136508681 /nfs/dbraw/zinc/50/86/81/1136508681.db2.gz LQAHNZCUUYZGFX-IBGZPJMESA-N 0 1 332.451 3.715 20 10 EHCDMN CCS[C@@H]1CCCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000748049498 1136682940 /nfs/dbraw/zinc/68/29/40/1136682940.db2.gz DJQVJCWHVDVUAF-OAHLLOKOSA-N 0 1 325.449 3.842 20 10 EHCDMN CCS[C@@H]1CCCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000748049498 1136682942 /nfs/dbraw/zinc/68/29/42/1136682942.db2.gz DJQVJCWHVDVUAF-OAHLLOKOSA-N 0 1 325.449 3.842 20 10 EHCDMN [O-]c1c(C[NH+]2CCN(c3ccc(O)cc3)CC2)ccc2ccccc21 ZINC000816480353 1136723198 /nfs/dbraw/zinc/72/31/98/1136723198.db2.gz LCIJRJHBMAKCIL-UHFFFAOYSA-N 0 1 334.419 3.573 20 10 EHCDMN COc1cc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc(OC)c1 ZINC000816489058 1136724284 /nfs/dbraw/zinc/72/42/84/1136724284.db2.gz KSVXFRUPXMAEGM-UHFFFAOYSA-N 0 1 339.794 3.834 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](c2cccs2)C1 ZINC000816498043 1136727353 /nfs/dbraw/zinc/72/73/53/1136727353.db2.gz DLJMVMGZGNAXQH-CQSZACIVSA-N 0 1 327.808 3.820 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H](c2ccsc2)C1 ZINC000816516282 1136729192 /nfs/dbraw/zinc/72/91/92/1136729192.db2.gz AALPNFIQWYLNNO-HNNXBMFYSA-N 0 1 327.808 3.820 20 10 EHCDMN [O-]c1c(C[NH2+]Cc2cnn(CC(F)(F)F)c2)ccc2ccccc12 ZINC000816557240 1136736156 /nfs/dbraw/zinc/73/61/56/1136736156.db2.gz IXNSJJOVNDARKU-UHFFFAOYSA-N 0 1 335.329 3.594 20 10 EHCDMN O=C1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CN1C1CCCCC1 ZINC000816568211 1136738015 /nfs/dbraw/zinc/73/80/15/1136738015.db2.gz AJQJHIPODRQVPY-QGZVFWFLSA-N 0 1 338.451 3.569 20 10 EHCDMN [O-]c1c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc2ccccc12 ZINC000816607665 1136740966 /nfs/dbraw/zinc/74/09/66/1136740966.db2.gz BHORWTOLGBERIK-GOEBONIOSA-N 0 1 339.357 3.538 20 10 EHCDMN [O-]c1c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc2ccccc12 ZINC000816607665 1136740968 /nfs/dbraw/zinc/74/09/68/1136740968.db2.gz BHORWTOLGBERIK-GOEBONIOSA-N 0 1 339.357 3.538 20 10 EHCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cccc2c1OCC2 ZINC000817356444 1136798519 /nfs/dbraw/zinc/79/85/19/1136798519.db2.gz LLFXTZBTTQRYEV-UHFFFAOYSA-N 0 1 347.436 3.560 20 10 EHCDMN CN(C)c1ccccc1C[NH2+]Cc1c([O-])cccc1Br ZINC000858140959 1136943127 /nfs/dbraw/zinc/94/31/27/1136943127.db2.gz KJUDXLNSBYXFSP-UHFFFAOYSA-N 0 1 335.245 3.511 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000858150669 1136944534 /nfs/dbraw/zinc/94/45/34/1136944534.db2.gz DXFGMVWXNIIZGE-WFASDCNBSA-N 0 1 342.277 3.576 20 10 EHCDMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)n[nH]1 ZINC000858160264 1136945283 /nfs/dbraw/zinc/94/52/83/1136945283.db2.gz GKGJAXHYLLRHHU-GHMZBOCLSA-N 0 1 337.418 3.513 20 10 EHCDMN COCc1csc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858193712 1136948844 /nfs/dbraw/zinc/94/88/44/1136948844.db2.gz HLVAAVUYEOAYNC-UHFFFAOYSA-N 0 1 342.258 3.652 20 10 EHCDMN O=C(Nc1ccc(N2CCCCCC2)cc1)c1c(F)ccc(O)c1O ZINC000823979825 1137121390 /nfs/dbraw/zinc/12/13/90/1137121390.db2.gz RGYQAKDRBGBENO-UHFFFAOYSA-N 0 1 344.386 3.870 20 10 EHCDMN Cc1cc(CNCc2ccc(N(C)Cc3cccs3)cc2)ncn1 ZINC000824050420 1137122620 /nfs/dbraw/zinc/12/26/20/1137122620.db2.gz FHANYIXQMVAMQB-UHFFFAOYSA-N 0 1 338.480 3.773 20 10 EHCDMN CC[N@H+](CCc1ccccn1)Cc1c([O-])cccc1Br ZINC000862232279 1137133550 /nfs/dbraw/zinc/13/35/50/1137133550.db2.gz VNRHBPDTXOXJBO-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN CC[N@@H+](CCc1ccccn1)Cc1c([O-])cccc1Br ZINC000862232279 1137133551 /nfs/dbraw/zinc/13/35/51/1137133551.db2.gz VNRHBPDTXOXJBO-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN CN(C)c1cc(F)c(CN2CCC(c3ccccn3)CC2)cc1F ZINC000862232579 1137133559 /nfs/dbraw/zinc/13/35/59/1137133559.db2.gz CNWVHCSKVROBJN-UHFFFAOYSA-N 0 1 331.410 3.805 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000862398600 1137142754 /nfs/dbraw/zinc/14/27/54/1137142754.db2.gz MTBOOEFKFWCCSE-WFASDCNBSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000862398600 1137142755 /nfs/dbraw/zinc/14/27/55/1137142755.db2.gz MTBOOEFKFWCCSE-WFASDCNBSA-N 0 1 340.261 3.546 20 10 EHCDMN CCOC(=O)CC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824575528 1137143139 /nfs/dbraw/zinc/14/31/39/1137143139.db2.gz HNGMSIAOEPYPNE-UHFFFAOYSA-N 0 1 325.836 3.519 20 10 EHCDMN CC(C)(C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1)C(N)=O ZINC000824608239 1137144910 /nfs/dbraw/zinc/14/49/10/1137144910.db2.gz DOMKLPFECQLAKZ-OAHLLOKOSA-N 0 1 340.467 3.659 20 10 EHCDMN CC(C)(C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)C(N)=O ZINC000824608239 1137144911 /nfs/dbraw/zinc/14/49/11/1137144911.db2.gz DOMKLPFECQLAKZ-OAHLLOKOSA-N 0 1 340.467 3.659 20 10 EHCDMN Oc1ccccc1CN(Cc1cn(C2CCC2)nn1)C1CCCC1 ZINC000824777180 1137151458 /nfs/dbraw/zinc/15/14/58/1137151458.db2.gz LPBVALJUWPLUJY-UHFFFAOYSA-N 0 1 326.444 3.654 20 10 EHCDMN [O-]c1c(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)ccc2ccccc21 ZINC000824955735 1137159117 /nfs/dbraw/zinc/15/91/17/1137159117.db2.gz YUZBQLGQFICJFQ-QUCCMNQESA-N 0 1 334.419 3.950 20 10 EHCDMN CO[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825131954 1137167016 /nfs/dbraw/zinc/16/70/16/1137167016.db2.gz VISIMKDOTLHHNW-INIZCTEOSA-N 0 1 336.229 3.632 20 10 EHCDMN CN(C)c1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825240748 1137170141 /nfs/dbraw/zinc/17/01/41/1137170141.db2.gz JEHGMMXMFGFTAE-UHFFFAOYSA-N 0 1 335.245 3.511 20 10 EHCDMN COc1cc(C)cc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825371534 1137175579 /nfs/dbraw/zinc/17/55/79/1137175579.db2.gz YPKBGHJUXJFNHT-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000794824188 1137267404 /nfs/dbraw/zinc/26/74/04/1137267404.db2.gz IMDSNTMFOPJGCS-RISCZKNCSA-N 0 1 342.867 4.000 20 10 EHCDMN Oc1cc(F)c(Br)cc1CN1Cc2cccc(F)c2C1 ZINC001144306843 1137270621 /nfs/dbraw/zinc/27/06/21/1137270621.db2.gz TWNOGYSUSPVBQW-UHFFFAOYSA-N 0 1 340.167 3.949 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Br)ccc1[O-] ZINC000794834645 1137276366 /nfs/dbraw/zinc/27/63/66/1137276366.db2.gz OJEKOSXWUHNLRT-UKRRQHHQSA-N 0 1 342.277 3.747 20 10 EHCDMN CC[C@H]([NH2+]Cc1cccnc1F)c1cc(Br)ccc1[O-] ZINC000794836886 1137283620 /nfs/dbraw/zinc/28/36/20/1137283620.db2.gz RSOJTCDAKQOXRD-ZDUSSCGKSA-N 0 1 339.208 3.930 20 10 EHCDMN Fc1ccccc1CN(Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000120565145 1137286303 /nfs/dbraw/zinc/28/63/03/1137286303.db2.gz HYQMFTMZFVCKKW-UHFFFAOYSA-N 0 1 340.442 3.827 20 10 EHCDMN COc1cc(F)c(CNCc2ccc(N(C)C)cc2C)cc1OC ZINC000845937940 1137321536 /nfs/dbraw/zinc/32/15/36/1137321536.db2.gz RRRPAPCAKLNWPX-UHFFFAOYSA-N 0 1 332.419 3.507 20 10 EHCDMN C[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000846205827 1137339159 /nfs/dbraw/zinc/33/91/59/1137339159.db2.gz RNBHFFIVELUXCS-GHMZBOCLSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@@H](NCc1cnc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000846846914 1137371820 /nfs/dbraw/zinc/37/18/20/1137371820.db2.gz YQWSOCFKTLFJRR-CYBMUJFWSA-N 0 1 349.837 3.562 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773256565 1137481770 /nfs/dbraw/zinc/48/17/70/1137481770.db2.gz COWFZTGSRSADTH-CVEARBPZSA-N 0 1 326.440 3.579 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773256565 1137481772 /nfs/dbraw/zinc/48/17/72/1137481772.db2.gz COWFZTGSRSADTH-CVEARBPZSA-N 0 1 326.440 3.579 20 10 EHCDMN CC[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000872113202 1137571893 /nfs/dbraw/zinc/57/18/93/1137571893.db2.gz NJKGDXMUEDCQBB-SMDDNHRTSA-N 0 1 345.361 3.795 20 10 EHCDMN Cc1csc([C@@H]2CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)n1 ZINC000872807531 1137584894 /nfs/dbraw/zinc/58/48/94/1137584894.db2.gz UBVKWDZTCXGOJZ-CQSZACIVSA-N 0 1 325.437 3.695 20 10 EHCDMN Cc1csc([C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)n1 ZINC000872807531 1137584895 /nfs/dbraw/zinc/58/48/95/1137584895.db2.gz UBVKWDZTCXGOJZ-CQSZACIVSA-N 0 1 325.437 3.695 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000825634683 1137586043 /nfs/dbraw/zinc/58/60/43/1137586043.db2.gz PXRFCYAVBOKAGK-INIZCTEOSA-N 0 1 340.261 3.546 20 10 EHCDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000125723342 1137643235 /nfs/dbraw/zinc/64/32/35/1137643235.db2.gz KYXQNHRZOIBHIV-UHFFFAOYSA-N 0 1 342.182 3.634 20 10 EHCDMN Oc1c(CNc2cccc(OC[C@@H]3CCCO3)c2)ccc(F)c1F ZINC000876827391 1137662956 /nfs/dbraw/zinc/66/29/56/1137662956.db2.gz PFDXQUNCUVYUJH-HNNXBMFYSA-N 0 1 335.350 3.840 20 10 EHCDMN Oc1c(CNc2cccc(OC[C@H]3CCCO3)c2)ccc(F)c1F ZINC000876827392 1137663002 /nfs/dbraw/zinc/66/30/02/1137663002.db2.gz PFDXQUNCUVYUJH-OAHLLOKOSA-N 0 1 335.350 3.840 20 10 EHCDMN Oc1c(CNc2ccc(O[C@H]3CCCC[C@H]3O)cc2)ccc(F)c1F ZINC000876838956 1137663368 /nfs/dbraw/zinc/66/33/68/1137663368.db2.gz WWDFETZQIYRQIS-SJORKVTESA-N 0 1 349.377 3.965 20 10 EHCDMN C[C@H]1COCCN1c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000876866387 1137664187 /nfs/dbraw/zinc/66/41/87/1137664187.db2.gz SKOXJGKQQPRJSZ-LBPRGKRZSA-N 0 1 334.366 3.508 20 10 EHCDMN Cc1ccc(CN[C@H](c2nc(-c3ccncc3)no2)C(C)C)c(O)c1 ZINC000877148910 1137671561 /nfs/dbraw/zinc/67/15/61/1137671561.db2.gz YRSUXSFGNZTTPR-KRWDZBQOSA-N 0 1 338.411 3.633 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1Cl ZINC000825944495 1137671958 /nfs/dbraw/zinc/67/19/58/1137671958.db2.gz XALFFABRKTWIMB-QFBILLFUSA-N 0 1 331.843 3.610 20 10 EHCDMN CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)c(F)c1O ZINC000877843435 1137692988 /nfs/dbraw/zinc/69/29/88/1137692988.db2.gz MGPUQMKUVTZFOW-KRWDZBQOSA-N 0 1 332.350 3.893 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)cc1Cl ZINC000826120250 1137758455 /nfs/dbraw/zinc/75/84/55/1137758455.db2.gz ABZWHNMYAIDLQZ-HNNXBMFYSA-N 0 1 348.830 3.564 20 10 EHCDMN CN(C)c1ccc(CNC2(c3ccc(F)cc3F)CCOCC2)cc1 ZINC000089803229 1138205586 /nfs/dbraw/zinc/20/55/86/1138205586.db2.gz ZGRHUPUFWDLADN-UHFFFAOYSA-N 0 1 346.421 3.826 20 10 EHCDMN C[C@H](NCc1cccc(N(C)C)n1)c1ccc(N2CCCCC2)cc1 ZINC000090851656 1138213760 /nfs/dbraw/zinc/21/37/60/1138213760.db2.gz XJCCVNBUAUVHBC-KRWDZBQOSA-N 0 1 338.499 3.989 20 10 EHCDMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000264596424 1138570791 /nfs/dbraw/zinc/57/07/91/1138570791.db2.gz IGXXQBUGEKUJLZ-LBPRGKRZSA-N 0 1 348.830 3.513 20 10 EHCDMN COCCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000183933662 1140067090 /nfs/dbraw/zinc/06/70/90/1140067090.db2.gz NOYYIPOEYUJUCA-NSHDSACASA-N 0 1 330.266 3.868 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184997981 1140130406 /nfs/dbraw/zinc/13/04/06/1140130406.db2.gz HISYGRXWWTZMRS-GHMZBOCLSA-N 0 1 329.271 3.834 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000185319610 1140144535 /nfs/dbraw/zinc/14/45/35/1140144535.db2.gz JUWZTBLBGBMELE-HICWGWBUSA-N 0 1 340.261 3.763 20 10 EHCDMN COCCC1(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000186133754 1140188423 /nfs/dbraw/zinc/18/84/23/1140188423.db2.gz YVZMNIIFJCEHPR-LLVKDONJSA-N 0 1 328.250 3.622 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc2ccccc2c1[O-] ZINC000186171728 1140190429 /nfs/dbraw/zinc/19/04/29/1140190429.db2.gz KXEOWPHMKAPUJC-WBVHZDCISA-N 0 1 333.435 3.870 20 10 EHCDMN C[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(F)c(F)c1O ZINC000187837569 1140273541 /nfs/dbraw/zinc/27/35/41/1140273541.db2.gz BFMVQWWVBFOFEF-NSHDSACASA-N 0 1 332.350 3.970 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(Br)ccc1[O-] ZINC000188017690 1140280170 /nfs/dbraw/zinc/28/01/70/1140280170.db2.gz SAJRJAMKPICYGG-UGFHNGPFSA-N 0 1 342.277 3.747 20 10 EHCDMN CN(C)c1ccc(CN2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000190024942 1140381162 /nfs/dbraw/zinc/38/11/62/1140381162.db2.gz CGUQLBJLASGEJG-UHFFFAOYSA-N 0 1 346.421 3.514 20 10 EHCDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000271599156 1141404598 /nfs/dbraw/zinc/40/45/98/1141404598.db2.gz ZLHABCWOHBAKLH-GJZGRUSLSA-N 0 1 327.476 3.769 20 10 EHCDMN CC[C@H]([NH2+]CCN(CC)CC)c1cc(Br)ccc1[O-] ZINC000019919473 212083379 /nfs/dbraw/zinc/08/33/79/212083379.db2.gz BKMLVSHXDYZXQN-AWEZNQCLSA-N 0 1 329.282 3.537 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1O ZINC000825942396 601418975 /nfs/dbraw/zinc/41/89/75/601418975.db2.gz WTYXYDILJVVBDO-MRXNPFEDSA-N 0 1 347.798 3.506 20 10 EHCDMN CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000840998625 955586777 /nfs/dbraw/zinc/58/67/77/955586777.db2.gz LCEKLWJDLTYSCF-LJQANCHMSA-N 0 1 344.480 3.681 20 10 EHCDMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)ccc1N(C)C ZINC000849345508 979496413 /nfs/dbraw/zinc/49/64/13/979496413.db2.gz KFBABQBKRWEQBY-AOIWGVFYSA-N 0 1 330.472 3.526 20 10 EHCDMN Cc1cc(C(=O)NCc2cn[nH]c2C)c(C)n1-c1cccc(Cl)c1 ZINC000728191581 1014933777 /nfs/dbraw/zinc/93/37/77/1014933777.db2.gz ZYARPOIYTKRPDX-UHFFFAOYSA-N 0 1 342.830 3.709 20 10 EHCDMN CC[C@@H](CCO)C[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000094949204 1044545170 /nfs/dbraw/zinc/54/51/70/1044545170.db2.gz MXUUYVKSQCJXIN-FZMZJTMJSA-N 0 1 330.266 3.604 20 10 EHCDMN CCC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000683437210 1017078877 /nfs/dbraw/zinc/07/88/77/1017078877.db2.gz HSBSIXXXUMQGPI-MRXNPFEDSA-N 0 1 341.499 3.713 20 10 EHCDMN C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000309839885 1018378091 /nfs/dbraw/zinc/37/80/91/1018378091.db2.gz VOPYEGXYZGHACA-KSSFIOAISA-N 0 1 330.859 3.798 20 10 EHCDMN Cc1cc(Cl)nc(C)c1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434348 1020009891 /nfs/dbraw/zinc/00/98/91/1020009891.db2.gz KIYZTDBGRLBZBI-UHFFFAOYSA-N 0 1 344.890 3.716 20 10 EHCDMN Cc1cc2ncccc2cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167437126 1020159917 /nfs/dbraw/zinc/15/99/17/1020159917.db2.gz LYYJGKNGJUYAKN-UHFFFAOYSA-N 0 1 346.478 3.907 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1cc(Br)ccc1[O-] ZINC000155962078 1020349214 /nfs/dbraw/zinc/34/92/14/1020349214.db2.gz JNPCDGXLXNPNFK-MISXGVKJSA-N 0 1 330.266 3.602 20 10 EHCDMN CC(C)N(CCO)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255356465 1021413692 /nfs/dbraw/zinc/41/36/92/1021413692.db2.gz TVEGMMXMJJAEJY-UHFFFAOYSA-N 0 1 340.427 3.743 20 10 EHCDMN COc1cc(C)cc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000894914183 1022242652 /nfs/dbraw/zinc/24/26/52/1022242652.db2.gz KUTYDHGLYZLKIC-ZDUSSCGKSA-N 0 1 337.341 3.904 20 10 EHCDMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1C ZINC000170268021 1033066861 /nfs/dbraw/zinc/06/68/61/1033066861.db2.gz CCKJTDYFXSZEIH-UHFFFAOYSA-N 0 1 329.780 3.602 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000276764413 1022730207 /nfs/dbraw/zinc/73/02/07/1022730207.db2.gz HJVWUUHSTNZTGF-UHFFFAOYSA-N 0 1 336.794 3.623 20 10 EHCDMN COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c(O)c1OC ZINC000894706939 1022778256 /nfs/dbraw/zinc/77/82/56/1022778256.db2.gz IWGKLUFUSADKFL-ZYHUDNBSSA-N 0 1 333.350 3.572 20 10 EHCDMN CC1(CC(F)F)CN(Cc2cc(Br)cc(F)c2O)C1 ZINC000895078962 1024038091 /nfs/dbraw/zinc/03/80/91/1024038091.db2.gz UFIMKLQPRSQWNJ-UHFFFAOYSA-N 0 1 338.167 3.771 20 10 EHCDMN CN(Cc1ccccc1O)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000119529196 1024418180 /nfs/dbraw/zinc/41/81/80/1024418180.db2.gz SHQHUNXSXQTHJH-KRWDZBQOSA-N 0 1 344.842 3.673 20 10 EHCDMN CCN(CC)c1ccc(CN(C)CC[S@@](=O)c2ccccc2)cc1 ZINC000729542900 1024596617 /nfs/dbraw/zinc/59/66/17/1024596617.db2.gz RWIMEDSXBZHKEO-XMMPIXPASA-N 0 1 344.524 3.772 20 10 EHCDMN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(OC)c(C)c2)cc1 ZINC000159295556 1026603839 /nfs/dbraw/zinc/60/38/39/1026603839.db2.gz YUTLVYDFILKWBA-HNNXBMFYSA-N 0 1 347.480 3.648 20 10 EHCDMN C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(Br)cc1[O-] ZINC000273464502 1027440742 /nfs/dbraw/zinc/44/07/42/1027440742.db2.gz ITLNIZBEFOZYRU-NSHDSACASA-N 0 1 328.250 3.622 20 10 EHCDMN Cc1cnccc1CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000273498438 1027459868 /nfs/dbraw/zinc/45/98/68/1027459868.db2.gz PQGZLYURFVYVNM-GFCCVEGCSA-N 0 1 335.245 3.751 20 10 EHCDMN COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278316846 1030129354 /nfs/dbraw/zinc/12/93/54/1030129354.db2.gz XOTTVWKOZFBHPD-GFCCVEGCSA-N 0 1 346.383 3.511 20 10 EHCDMN COc1ccc([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278316846 1030129358 /nfs/dbraw/zinc/12/93/58/1030129358.db2.gz XOTTVWKOZFBHPD-GFCCVEGCSA-N 0 1 346.383 3.511 20 10 EHCDMN COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278316846 1030129368 /nfs/dbraw/zinc/12/93/68/1030129368.db2.gz XOTTVWKOZFBHPD-GFCCVEGCSA-N 0 1 346.383 3.511 20 10 EHCDMN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000527923796 1031414364 /nfs/dbraw/zinc/41/43/64/1031414364.db2.gz FGVIQBFVFYXPTF-RYUDHWBXSA-N 0 1 328.250 3.622 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000527939061 1031464604 /nfs/dbraw/zinc/46/46/04/1031464604.db2.gz MPSFATYOAWGOAD-TVQRCGJNSA-N 0 1 333.741 3.696 20 10 EHCDMN C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000527933648 1031498778 /nfs/dbraw/zinc/49/87/78/1031498778.db2.gz PLFRWCTYJYLQJI-RNCFNFMXSA-N 0 1 333.741 3.696 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(Cl)ccc1[O-] ZINC000527999533 1031560041 /nfs/dbraw/zinc/56/00/41/1031560041.db2.gz BKMOOBZUIXXBEQ-MEDUHNTESA-N 0 1 330.815 3.523 20 10 EHCDMN CC[C@@](C)(NCc1ccc(N2CCOCC2)cc1)c1nc(C)cs1 ZINC000174498118 1033959742 /nfs/dbraw/zinc/95/97/42/1033959742.db2.gz HTGKSIAVEYQSKK-LJQANCHMSA-N 0 1 345.512 3.703 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)C2(C)C)c1O ZINC000323929861 1033982405 /nfs/dbraw/zinc/98/24/05/1033982405.db2.gz QGMGYOSIWZDGGZ-ZDUSSCGKSA-N 0 1 333.325 3.897 20 10 EHCDMN CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000229555547 1034248166 /nfs/dbraw/zinc/24/81/66/1034248166.db2.gz UOSBHZWMXIRFOW-OCCSQVGLSA-N 0 1 344.293 3.993 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121232691 1034577078 /nfs/dbraw/zinc/57/70/78/1034577078.db2.gz NDHYNAMMDXQWPQ-SNVBAGLBSA-N 0 1 326.227 3.802 20 10 EHCDMN CN(Cc1cccc(Cl)c1[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000761221487 1034734851 /nfs/dbraw/zinc/73/48/51/1034734851.db2.gz OIBAKMQLJRIELY-UHFFFAOYSA-N 0 1 334.847 3.622 20 10 EHCDMN C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000756414195 1038638059 /nfs/dbraw/zinc/63/80/59/1038638059.db2.gz HZJFWQQKNYZATN-OLZOCXBDSA-N 0 1 341.293 3.680 20 10 EHCDMN CCc1nn(C)cc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000183376665 1038703032 /nfs/dbraw/zinc/70/30/32/1038703032.db2.gz JEPKNEXKJFVCMY-UHFFFAOYSA-N 0 1 326.488 3.605 20 10 EHCDMN CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(Br)ccc1[O-] ZINC000156658360 1040134423 /nfs/dbraw/zinc/13/44/23/1040134423.db2.gz XLCNIIPEAAYYEO-SMDDNHRTSA-N 0 1 344.293 3.993 20 10 EHCDMN CC[C@@H]([NH2+]CCCCCCO)c1cc(Br)ccc1[O-] ZINC000157042584 1040567444 /nfs/dbraw/zinc/56/74/44/1040567444.db2.gz OKUPCLDZMNRDDW-CQSZACIVSA-N 0 1 330.266 3.748 20 10 EHCDMN CCCN(Cc1csc(N(C)C2CC2)n1)Cc1ccccc1O ZINC000151158479 1040629510 /nfs/dbraw/zinc/62/95/10/1040629510.db2.gz RUDZRXKMDPAQOO-UHFFFAOYSA-N 0 1 331.485 3.860 20 10 EHCDMN C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000756661172 1041762360 /nfs/dbraw/zinc/76/23/60/1041762360.db2.gz ZBSDQDGWVRTDGB-SECBINFHSA-N 0 1 333.741 3.655 20 10 EHCDMN CC[C@H](N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccccc1O ZINC000279473947 1044116816 /nfs/dbraw/zinc/11/68/16/1044116816.db2.gz KEHFSZAKEPHMPT-ZFWWWQNUSA-N 0 1 337.427 3.683 20 10 EHCDMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)c(F)c1)CCO2 ZINC000765475309 1127616329 /nfs/dbraw/zinc/61/63/29/1127616329.db2.gz KYLMSZDNYRBMBW-SFHVURJKSA-N 0 1 344.430 3.904 20 10 EHCDMN CN1CCCc2cc(CNCc3ccc(Br)cn3)ccc21 ZINC001648950551 1120252158 /nfs/dbraw/zinc/25/21/58/1120252158.db2.gz BEVRWVOVRGVART-UHFFFAOYSA-N 0 1 346.272 3.516 20 10 EHCDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)cc(Br)c1[O-] ZINC001235297668 1121454815 /nfs/dbraw/zinc/45/48/15/1121454815.db2.gz OYEPSZFZXRSXOP-UHFFFAOYSA-N 0 1 340.192 3.631 20 10 EHCDMN COc1ccc(N2CCCN(Cc3cc(F)ccc3OC)CC2)cc1 ZINC000917207923 1122550847 /nfs/dbraw/zinc/55/08/47/1122550847.db2.gz PWFFUKAVHFHPIZ-UHFFFAOYSA-N 0 1 344.430 3.555 20 10 EHCDMN Cc1cc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)n[nH]1 ZINC000181581023 1124948719 /nfs/dbraw/zinc/94/87/19/1124948719.db2.gz VPQTYCHABGDUSP-OAHLLOKOSA-N 0 1 335.407 3.827 20 10 EHCDMN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3c([O-])cc(C)cc3Cl)C2)n1 ZINC000922869101 1129695496 /nfs/dbraw/zinc/69/54/96/1129695496.db2.gz NWSAPILJYNBAHY-RYUDHWBXSA-N 0 1 335.835 3.725 20 10 EHCDMN CO[C@](C)(C[NH2+]Cc1cc(Cl)ccc1[O-])COCc1ccccc1 ZINC000702764296 1130247701 /nfs/dbraw/zinc/24/77/01/1130247701.db2.gz BGAGVRZRCYNAOU-LJQANCHMSA-N 0 1 349.858 3.757 20 10 EHCDMN CCCCCCC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730194712 1130686880 /nfs/dbraw/zinc/68/68/80/1130686880.db2.gz NIZUVNWEDQCEEQ-UHFFFAOYSA-N 0 1 349.494 3.554 20 10 EHCDMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)C1=CC(=O)CS1 ZINC000732266205 1130906854 /nfs/dbraw/zinc/90/68/54/1130906854.db2.gz WFYAYFLGYXDTFC-GOSISDBHSA-N 0 1 349.415 3.849 20 10 EHCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccc2c(c1)OCO2 ZINC000733326118 1131025409 /nfs/dbraw/zinc/02/54/09/1131025409.db2.gz JYPKWNWNICMUGC-UHFFFAOYSA-N 0 1 333.815 3.842 20 10 EHCDMN CC[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCc2ccccc2C1 ZINC000733324350 1131025770 /nfs/dbraw/zinc/02/57/70/1131025770.db2.gz RGKOTFMHUZKWJD-KRWDZBQOSA-N 0 1 344.886 3.972 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000733327362 1131027865 /nfs/dbraw/zinc/02/78/65/1131027865.db2.gz UCJRMSTXONOVHH-OAHLLOKOSA-N 0 1 345.748 3.585 20 10 EHCDMN CCC[N@@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740858958 1131549019 /nfs/dbraw/zinc/54/90/19/1131549019.db2.gz MSPAYDAZIQZBCS-DFQSSKMNSA-N 0 1 329.484 3.906 20 10 EHCDMN Cc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cnc1Cl ZINC000768163164 1133103345 /nfs/dbraw/zinc/10/33/45/1133103345.db2.gz VXYLBOJRMOMZPA-QGZVFWFLSA-N 0 1 346.858 3.930 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H](Nc3ccccc3)C2)c1O ZINC000768554237 1133155255 /nfs/dbraw/zinc/15/52/55/1133155255.db2.gz FQLJVUXWSYMCPY-GOSISDBHSA-N 0 1 342.414 3.810 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000768554237 1133155258 /nfs/dbraw/zinc/15/52/58/1133155258.db2.gz FQLJVUXWSYMCPY-GOSISDBHSA-N 0 1 342.414 3.810 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000768554237 1133155262 /nfs/dbraw/zinc/15/52/62/1133155262.db2.gz FQLJVUXWSYMCPY-GOSISDBHSA-N 0 1 342.414 3.810 20 10 EHCDMN COc1cc(Br)cc(C[N@H+](C)CC2CCCC2)c1[O-] ZINC000769191914 1133233672 /nfs/dbraw/zinc/23/36/72/1133233672.db2.gz LHYIXLKZMZTOLW-UHFFFAOYSA-N 0 1 328.250 3.785 20 10 EHCDMN COc1cc(Br)cc(C[N@@H+](C)CC2CCCC2)c1[O-] ZINC000769191914 1133233679 /nfs/dbraw/zinc/23/36/79/1133233679.db2.gz LHYIXLKZMZTOLW-UHFFFAOYSA-N 0 1 328.250 3.785 20 10 EHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769211676 1133245121 /nfs/dbraw/zinc/24/51/21/1133245121.db2.gz ZFZUWKONRAJZSP-KBPBESRZSA-N 0 1 338.879 3.562 20 10 EHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000769211676 1133245126 /nfs/dbraw/zinc/24/51/26/1133245126.db2.gz ZFZUWKONRAJZSP-KBPBESRZSA-N 0 1 338.879 3.562 20 10 EHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000769211676 1133245133 /nfs/dbraw/zinc/24/51/33/1133245133.db2.gz ZFZUWKONRAJZSP-KBPBESRZSA-N 0 1 338.879 3.562 20 10 EHCDMN CC[C@H](c1ccccc1)[NH+]1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001179877603 1133298512 /nfs/dbraw/zinc/29/85/12/1133298512.db2.gz IBBBNRDSIHODNI-LJQANCHMSA-N 0 1 328.431 3.800 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000769493844 1133300159 /nfs/dbraw/zinc/30/01/59/1133300159.db2.gz WXDSIXZHJMHVIH-UHFFFAOYSA-N 0 1 340.261 3.690 20 10 EHCDMN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](C)C(C)(C)C ZINC001180262172 1133352777 /nfs/dbraw/zinc/35/27/77/1133352777.db2.gz LQOCCWGNQYGPTF-GFCCVEGCSA-N 0 1 327.852 3.703 20 10 EHCDMN CCN(CC)c1ccc(CN(C)Cc2cn(C)nc2C(F)F)cc1 ZINC000770645213 1133454486 /nfs/dbraw/zinc/45/44/86/1133454486.db2.gz IMJYCFPWDMYZQT-UHFFFAOYSA-N 0 1 336.430 3.836 20 10 EHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC001181267945 1133475126 /nfs/dbraw/zinc/47/51/26/1133475126.db2.gz XHEXBTGEDDTWJP-UHFFFAOYSA-N 0 1 345.870 3.863 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccnn1-c1ccncc1 ZINC001182196112 1133590161 /nfs/dbraw/zinc/59/01/61/1133590161.db2.gz MVKJKIROXRYUFV-UHFFFAOYSA-N 0 1 349.221 3.570 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-] ZINC000787010168 1133933685 /nfs/dbraw/zinc/93/36/85/1133933685.db2.gz LFODQFZFQSGDFW-DDBGAENHSA-N 0 1 349.814 3.547 20 10 EHCDMN CCOC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C(C)C ZINC000788986235 1134200823 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CCO[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792761404 1134786999 /nfs/dbraw/zinc/78/69/99/1134786999.db2.gz MKECWNVVHCUEGY-HNNXBMFYSA-N 0 1 330.394 3.772 20 10 EHCDMN C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000793220313 1134876504 /nfs/dbraw/zinc/87/65/04/1134876504.db2.gz NECGMQQZXOCIFT-HTQZYQBOSA-N 0 1 349.066 3.900 20 10 EHCDMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(Br)ccc1O ZINC000793230314 1134880113 /nfs/dbraw/zinc/88/01/13/1134880113.db2.gz FWCWPGADICJRNB-KCJUWKMLSA-N 0 1 338.167 3.927 20 10 EHCDMN CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775484796 1134918063 /nfs/dbraw/zinc/91/80/63/1134918063.db2.gz JBDUZUPLCXRZTP-CPUCHLNUSA-N 0 1 340.895 3.586 20 10 EHCDMN CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000775503239 1134966255 /nfs/dbraw/zinc/96/62/55/1134966255.db2.gz DSYFQLQPEXNLPQ-WPGHFRTFSA-N 0 1 344.293 3.993 20 10 EHCDMN CC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775512941 1134983066 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ZINC000775658802 1135431963 /nfs/dbraw/zinc/43/19/63/1135431963.db2.gz CDAAJYWBCFDALA-ZDUSSCGKSA-N 0 1 339.798 3.857 20 10 EHCDMN CN(C)c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807838831 1135575343 /nfs/dbraw/zinc/57/53/43/1135575343.db2.gz RUTZKQOHNSAGEM-UHFFFAOYSA-N 0 1 339.222 3.695 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc2ccncc21 ZINC000807841329 1135576085 /nfs/dbraw/zinc/57/60/85/1135576085.db2.gz XXSBZHXXRPCEEL-UHFFFAOYSA-N 0 1 348.189 3.572 20 10 EHCDMN CC(C)Cc1ccc([C@@H](CNC(=O)C2=CC(=O)CS2)N(C)C)cc1 ZINC000807859317 1135578151 /nfs/dbraw/zinc/57/81/51/1135578151.db2.gz VZCUBGCDHLSMNH-QGZVFWFLSA-N 0 1 346.496 3.685 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2occc2[nH]1 ZINC000807836104 1135580671 /nfs/dbraw/zinc/58/06/71/1135580671.db2.gz PCPICXLEXXNRKG-UHFFFAOYSA-N 0 1 325.151 3.703 20 10 EHCDMN C[C@@H]1CCCC[C@H]1OCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838657 1135581036 /nfs/dbraw/zinc/58/10/36/1135581036.db2.gz MZYSFDOJUWPOEG-QMTHXVAHSA-N 0 1 346.254 3.911 20 10 EHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)CN1CC2(CCCC2)CC1=O ZINC000747451271 1135609135 /nfs/dbraw/zinc/60/91/35/1135609135.db2.gz CBKVHLBLIPJGPG-UHFFFAOYSA-N 0 1 343.515 3.713 20 10 EHCDMN Nc1ccc(NCc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 ZINC000808089150 1135616175 /nfs/dbraw/zinc/61/61/75/1135616175.db2.gz INNKREYTFVVIOJ-UHFFFAOYSA-N 0 1 328.155 3.802 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808425608 1135660456 /nfs/dbraw/zinc/66/04/56/1135660456.db2.gz FCKDRZOGHAUPFG-OAHLLOKOSA-N 0 1 345.748 3.888 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)c1O ZINC001198685309 1135847095 /nfs/dbraw/zinc/84/70/95/1135847095.db2.gz IVEITPHYZNVYJI-DLBZAZTESA-N 0 1 337.847 3.782 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC001198685309 1135847104 /nfs/dbraw/zinc/84/71/04/1135847104.db2.gz IVEITPHYZNVYJI-DLBZAZTESA-N 0 1 337.847 3.782 20 10 EHCDMN CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C12CCCC2 ZINC000809560929 1135850304 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[O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809790922 1135893189 /nfs/dbraw/zinc/89/31/89/1135893189.db2.gz SGJBASAFHICONT-LJQANCHMSA-N 0 1 349.833 3.612 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809790922 1135893193 /nfs/dbraw/zinc/89/31/93/1135893193.db2.gz SGJBASAFHICONT-LJQANCHMSA-N 0 1 349.833 3.612 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213980 1135937823 /nfs/dbraw/zinc/93/78/23/1135937823.db2.gz KNJHEMIWPHVBDB-MFKMUULPSA-N 0 1 346.393 3.755 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226923 1135941260 /nfs/dbraw/zinc/94/12/60/1135941260.db2.gz NZMDAUIYKQLCSD-OCCSQVGLSA-N 0 1 339.361 3.732 20 10 EHCDMN CC[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238928 1135946489 /nfs/dbraw/zinc/94/64/89/1135946489.db2.gz PKKJHTITJRBFIX-CYBMUJFWSA-N 0 1 333.350 3.605 20 10 EHCDMN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000810246261 1135947823 /nfs/dbraw/zinc/94/78/23/1135947823.db2.gz LULVSNKUBGLPDH-SOVGHPHASA-N 0 1 331.843 3.862 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518086 1136098366 /nfs/dbraw/zinc/09/83/66/1136098366.db2.gz GJDUANFPMCOCMS-HOCLYGCPSA-N 0 1 325.811 3.718 20 10 EHCDMN Cc1cc(Cl)cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000811519678 1136098530 /nfs/dbraw/zinc/09/85/30/1136098530.db2.gz BOENMKFZSJHZGK-CQSZACIVSA-N 0 1 326.227 3.651 20 10 EHCDMN CC(C)(C)c1nnc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])s1 ZINC000776248755 1136105614 /nfs/dbraw/zinc/10/56/14/1136105614.db2.gz OBQNLEZLZOHMLH-UHFFFAOYSA-N 0 1 329.828 3.624 20 10 EHCDMN COc1cc(CN[C@H](C)c2n[nH]c(C(C)C)n2)c(O)c(C(C)(C)C)c1 ZINC000850228068 1136224185 /nfs/dbraw/zinc/22/41/85/1136224185.db2.gz JKEKPJXKAKRMNF-GFCCVEGCSA-N 0 1 346.475 3.791 20 10 EHCDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000850430270 1136257685 /nfs/dbraw/zinc/25/76/85/1136257685.db2.gz KMNBNUQXTXUMPB-GFCCVEGCSA-N 0 1 347.390 3.659 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000850500979 1136272799 /nfs/dbraw/zinc/27/27/99/1136272799.db2.gz LONCSVOXZBYKJW-CVEARBPZSA-N 0 1 344.842 3.674 20 10 EHCDMN Cc1ccncc1CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000850506291 1136274077 /nfs/dbraw/zinc/27/40/77/1136274077.db2.gz ICAQAGXNMGIYGI-GFCCVEGCSA-N 0 1 335.245 3.751 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]c2cccnc12 ZINC000813684362 1136356287 /nfs/dbraw/zinc/35/62/87/1136356287.db2.gz OWENDKUXERKCDO-UHFFFAOYSA-N 0 1 336.178 3.505 20 10 EHCDMN Cc1cncc(/C=C/C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000813682319 1136356299 /nfs/dbraw/zinc/35/62/99/1136356299.db2.gz BSCXJFDDTRUEIC-NSCUHMNNSA-N 0 1 337.206 3.732 20 10 EHCDMN C[C@H](NCc1cccc(N)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000854219069 1136599090 /nfs/dbraw/zinc/59/90/90/1136599090.db2.gz ZHRMJCQFQMKQRZ-AWEZNQCLSA-N 0 1 345.874 3.610 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3C3CCOCC3)c2c1 ZINC000776772183 1136659277 /nfs/dbraw/zinc/65/92/77/1136659277.db2.gz MNRRBDDIXPVEIC-HXUWFJFHSA-N 0 1 341.451 3.945 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3C3CCOCC3)c2c1 ZINC000776772183 1136659278 /nfs/dbraw/zinc/65/92/78/1136659278.db2.gz MNRRBDDIXPVEIC-HXUWFJFHSA-N 0 1 341.451 3.945 20 10 EHCDMN CCc1nc([C@H]2CCCCN2Cc2cc(Cl)c(F)cc2O)no1 ZINC000816494562 1136724767 /nfs/dbraw/zinc/72/47/67/1136724767.db2.gz QXCOOLKQJYNRHG-CYBMUJFWSA-N 0 1 339.798 3.857 20 10 EHCDMN Cc1nc([C@H]2CCCCN2Cc2cc(Cl)c(F)cc2O)no1 ZINC000816494447 1136724880 /nfs/dbraw/zinc/72/48/80/1136724880.db2.gz MCPUCGQNNXKTFY-CYBMUJFWSA-N 0 1 325.771 3.603 20 10 EHCDMN O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816505232 1136728359 /nfs/dbraw/zinc/72/83/59/1136728359.db2.gz QQQYVCGMIVHNIN-GOSISDBHSA-N 0 1 338.451 3.522 20 10 EHCDMN O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816505232 1136728361 /nfs/dbraw/zinc/72/83/61/1136728361.db2.gz QQQYVCGMIVHNIN-GOSISDBHSA-N 0 1 338.451 3.522 20 10 EHCDMN C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816509349 1136728811 /nfs/dbraw/zinc/72/88/11/1136728811.db2.gz NKVMAIDOMUWOAV-AWEZNQCLSA-N 0 1 344.455 3.890 20 10 EHCDMN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816509349 1136728812 /nfs/dbraw/zinc/72/88/12/1136728812.db2.gz NKVMAIDOMUWOAV-AWEZNQCLSA-N 0 1 344.455 3.890 20 10 EHCDMN O=C1CCCCN1C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816516763 1136730167 /nfs/dbraw/zinc/73/01/67/1136730167.db2.gz PKRAQZWNBVHSKJ-UHFFFAOYSA-N 0 1 338.451 3.522 20 10 EHCDMN Cn1cc([C@H]2CSCCN2Cc2ccc3ccccc3c2O)cn1 ZINC000816591277 1136735064 /nfs/dbraw/zinc/73/50/64/1136735064.db2.gz ZJJYKGQWCWYMLN-GOSISDBHSA-N 0 1 339.464 3.569 20 10 EHCDMN COc1ccc(F)c(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000816608950 1136740804 /nfs/dbraw/zinc/74/08/04/1136740804.db2.gz ODTHBCNIJOVEJW-UHFFFAOYSA-N 0 1 340.192 3.592 20 10 EHCDMN CC[C@H]([NH2+]CCCC1(O)CCC1)c1cc(Br)ccc1[O-] ZINC000817584968 1136825483 /nfs/dbraw/zinc/82/54/83/1136825483.db2.gz BPKXLDGVXWINKT-AWEZNQCLSA-N 0 1 342.277 3.891 20 10 EHCDMN CC[C@H](N[C@H](C)c1ncc(C(=O)OC)s1)c1ccc(C)cc1O ZINC000818355906 1136875752 /nfs/dbraw/zinc/87/57/52/1136875752.db2.gz KZRNNWLMDXLTDY-YPMHNXCESA-N 0 1 334.441 3.746 20 10 EHCDMN CC(C)c1ncc2c(n1)CCN(C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000857876661 1136916565 /nfs/dbraw/zinc/91/65/65/1136916565.db2.gz IUCQLGQNNHBSFV-WAYWQWQTSA-N 0 1 336.483 3.738 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015857 1136931300 /nfs/dbraw/zinc/93/13/00/1136931300.db2.gz DHIZAAILQVWYLB-INIZCTEOSA-N 0 1 344.842 3.971 20 10 EHCDMN Cc1cc(N(C)C)ccc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858139769 1136943336 /nfs/dbraw/zinc/94/33/36/1136943336.db2.gz YQSODPOXCOAZBI-UHFFFAOYSA-N 0 1 333.426 3.695 20 10 EHCDMN COCCC1(C[NH2+]Cc2c([O-])cccc2Br)CCCC1 ZINC000858150318 1136944482 /nfs/dbraw/zinc/94/44/82/1136944482.db2.gz RVCWLEQHMNEOSI-UHFFFAOYSA-N 0 1 342.277 3.841 20 10 EHCDMN CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000858173000 1136946414 /nfs/dbraw/zinc/94/64/14/1136946414.db2.gz NNRPILGNFRMUPX-LRDDRELGSA-N 0 1 342.277 3.696 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000858196829 1136948703 /nfs/dbraw/zinc/94/87/03/1136948703.db2.gz ZLVUDVGPXBGQAX-QMMMGPOBSA-N 0 1 339.060 3.828 20 10 EHCDMN C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccns1 ZINC000858317079 1136958182 /nfs/dbraw/zinc/95/81/82/1136958182.db2.gz GTHVTPUZLWSLTK-ZDUSSCGKSA-N 0 1 346.456 3.892 20 10 EHCDMN C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(Cl)cc1[O-] ZINC000858452915 1136968968 /nfs/dbraw/zinc/96/89/68/1136968968.db2.gz PKDKNPVVAHTUHG-QMMMGPOBSA-N 0 1 333.741 3.649 20 10 EHCDMN CCC(F)(F)CN[C@@H](C)c1cc(Br)cc(F)c1O ZINC000858506365 1136974593 /nfs/dbraw/zinc/97/45/93/1136974593.db2.gz HLEVZESJXVCCEB-ZETCQYMHSA-N 0 1 326.156 3.990 20 10 EHCDMN Cc1ccc(NC(=O)CNCc2ccc(N(C)C)c(F)c2)c(Cl)c1 ZINC000822490054 1137059983 /nfs/dbraw/zinc/05/99/83/1137059983.db2.gz OMHIYLWYTINERT-UHFFFAOYSA-N 0 1 349.837 3.582 20 10 EHCDMN CCCCCNC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000862023453 1137127154 /nfs/dbraw/zinc/12/71/54/1137127154.db2.gz FJZKEHIJZDBCEV-SFHVURJKSA-N 0 1 345.531 3.804 20 10 EHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862351393 1137139553 /nfs/dbraw/zinc/13/95/53/1137139553.db2.gz OKHWLBDFRVOBGL-WPRPVWTQSA-N 0 1 338.167 3.927 20 10 EHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])cccc1Br ZINC000862351393 1137139554 /nfs/dbraw/zinc/13/95/54/1137139554.db2.gz OKHWLBDFRVOBGL-WPRPVWTQSA-N 0 1 338.167 3.927 20 10 EHCDMN Fc1ccc(C2CC2)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000824548322 1137143925 /nfs/dbraw/zinc/14/39/25/1137143925.db2.gz FTQWFAIZOIQAMI-UHFFFAOYSA-N 0 1 340.442 3.830 20 10 EHCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000824635554 1137145463 /nfs/dbraw/zinc/14/54/63/1137145463.db2.gz HRCPPVZOVJYNEF-QUCCMNQESA-N 0 1 341.451 3.564 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1Cl ZINC000825072325 1137164534 /nfs/dbraw/zinc/16/45/34/1137164534.db2.gz YRDNIRZOBPBRRN-LBPRGKRZSA-N 0 1 333.815 3.976 20 10 EHCDMN CCc1ncc(CNCc2ccc(OCc3ccccc3)cc2O)o1 ZINC000825079593 1137164790 /nfs/dbraw/zinc/16/47/90/1137164790.db2.gz WBACGBNBYZUHEY-UHFFFAOYSA-N 0 1 338.407 3.811 20 10 EHCDMN [O-]c1c(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)ccc2ccccc21 ZINC000825090841 1137165205 /nfs/dbraw/zinc/16/52/05/1137165205.db2.gz JWROZZMRDIHYFY-YLJYHZDGSA-N 0 1 334.419 3.950 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCOC1CCCC1 ZINC000825173962 1137167852 /nfs/dbraw/zinc/16/78/52/1137167852.db2.gz WKORJDSPVLXKQB-UHFFFAOYSA-N 0 1 328.250 3.594 20 10 EHCDMN Cc1nc(C)c(CC[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000825259481 1137170836 /nfs/dbraw/zinc/17/08/36/1137170836.db2.gz IDYWOGPYFLWNLO-UHFFFAOYSA-N 0 1 341.274 3.560 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000825357671 1137174674 /nfs/dbraw/zinc/17/46/74/1137174674.db2.gz JIPFKWHALOXARQ-IUODEOHRSA-N 0 1 342.277 3.576 20 10 EHCDMN CCOCCC1(C[NH2+]Cc2ccc(Br)cc2[O-])CCC1 ZINC000825366120 1137174908 /nfs/dbraw/zinc/17/49/08/1137174908.db2.gz SKTBSIQZZPEFMK-UHFFFAOYSA-N 0 1 342.277 3.841 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000825412359 1137176964 /nfs/dbraw/zinc/17/69/64/1137176964.db2.gz HMAZOUVZRXYRLT-HNNXBMFYSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000825412359 1137176966 /nfs/dbraw/zinc/17/69/66/1137176966.db2.gz HMAZOUVZRXYRLT-HNNXBMFYSA-N 0 1 340.261 3.546 20 10 EHCDMN COc1cc(NCc2ccc(F)c(F)c2O)cc(Cl)c1OC ZINC000864042103 1137212949 /nfs/dbraw/zinc/21/29/49/1137212949.db2.gz WDALFBYMOLJQIQ-UHFFFAOYSA-N 0 1 329.730 3.953 20 10 EHCDMN CN(Cc1[nH]nc2ccc(F)cc21)Cc1ccc(N2CCCC2)cc1 ZINC001144199666 1137250541 /nfs/dbraw/zinc/25/05/41/1137250541.db2.gz QDNOCUZTCSDXCJ-UHFFFAOYSA-N 0 1 338.430 3.934 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(Br)cc1[O-] ZINC000844919850 1137262809 /nfs/dbraw/zinc/26/28/09/1137262809.db2.gz HJSKICSQWRDADZ-BXUZGUMPSA-N 0 1 347.256 3.842 20 10 EHCDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298661 1137268570 /nfs/dbraw/zinc/26/85/70/1137268570.db2.gz IAPOVYXNQPLDST-UHFFFAOYSA-N 0 1 340.192 3.631 20 10 EHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001144306648 1137270765 /nfs/dbraw/zinc/27/07/65/1137270765.db2.gz KVFMTHZBEDNZLO-QMMMGPOBSA-N 0 1 342.130 3.678 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC2(CCC2)C1 ZINC000845726364 1137306955 /nfs/dbraw/zinc/30/69/55/1137306955.db2.gz CPPQDTIVQBBUHA-UHFFFAOYSA-N 0 1 329.227 3.831 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846110071 1137333111 /nfs/dbraw/zinc/33/31/11/1137333111.db2.gz YUHFJPPEBDSHMA-CYBMUJFWSA-N 0 1 332.734 3.575 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC000846905618 1137373517 /nfs/dbraw/zinc/37/35/17/1137373517.db2.gz JWQIFLDYTICQRF-AWEZNQCLSA-N 0 1 330.815 3.633 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1[O-] ZINC000846905618 1137373518 /nfs/dbraw/zinc/37/35/18/1137373518.db2.gz JWQIFLDYTICQRF-AWEZNQCLSA-N 0 1 330.815 3.633 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1[O-] ZINC000846905618 1137373519 /nfs/dbraw/zinc/37/35/19/1137373519.db2.gz JWQIFLDYTICQRF-AWEZNQCLSA-N 0 1 330.815 3.633 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171783199 1137512207 /nfs/dbraw/zinc/51/22/07/1137512207.db2.gz LPPGHEUJCNEQHH-CYBMUJFWSA-N 0 1 336.204 3.551 20 10 EHCDMN FC(F)(F)c1cc(Cl)nc(CNCc2ccc3c(c2)CCO3)c1 ZINC000873169922 1137592145 /nfs/dbraw/zinc/59/21/45/1137592145.db2.gz PPBNJWXTZWSYNV-UHFFFAOYSA-N 0 1 342.748 3.979 20 10 EHCDMN CN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1Cl ZINC000876536322 1137654884 /nfs/dbraw/zinc/65/48/84/1137654884.db2.gz YETDZHLSWDGRRD-UHFFFAOYSA-N 0 1 344.886 3.933 20 10 EHCDMN Cc1cccc(O)c1C[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000876558087 1137655360 /nfs/dbraw/zinc/65/53/60/1137655360.db2.gz LBWLWIWFINDKDO-UHFFFAOYSA-N 0 1 325.408 3.501 20 10 EHCDMN CCCOc1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000877171849 1137672241 /nfs/dbraw/zinc/67/22/41/1137672241.db2.gz GSVZMHZOTMRWLL-CYFREDJKSA-N 0 1 345.508 3.993 20 10 EHCDMN Cc1ccc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c(O)c1 ZINC000877565462 1137681346 /nfs/dbraw/zinc/68/13/46/1137681346.db2.gz ZWGUIIKBGMLSGO-UHFFFAOYSA-N 0 1 326.444 3.552 20 10 EHCDMN O=C1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3[O-])C2)Oc2ccccc21 ZINC000877589210 1137682201 /nfs/dbraw/zinc/68/22/01/1137682201.db2.gz JIGGDCOOTOOOTH-IBGZPJMESA-N 0 1 343.810 3.656 20 10 EHCDMN [O-]c1c(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)ccc(F)c1F ZINC000877634792 1137683792 /nfs/dbraw/zinc/68/37/92/1137683792.db2.gz WETFSKLRHHTKEC-QGZVFWFLSA-N 0 1 335.350 3.617 20 10 EHCDMN [O-]c1c(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)ccc(F)c1F ZINC000877634792 1137683793 /nfs/dbraw/zinc/68/37/93/1137683793.db2.gz WETFSKLRHHTKEC-QGZVFWFLSA-N 0 1 335.350 3.617 20 10 EHCDMN Cc1ccc(CN[C@@H](CO)c2cccc(Cl)c2Cl)c(O)c1 ZINC000877638862 1137683967 /nfs/dbraw/zinc/68/39/67/1137683967.db2.gz QGYMXFVFUUNENO-AWEZNQCLSA-N 0 1 326.223 3.831 20 10 EHCDMN COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877693428 1137685948 /nfs/dbraw/zinc/68/59/48/1137685948.db2.gz ZREUUOKDSPKWQX-UONOGXRCSA-N 0 1 333.334 3.559 20 10 EHCDMN CC1(C)COc2ccc(NCc3ccc(F)c(F)c3O)cc2NC1=O ZINC000877771984 1137689100 /nfs/dbraw/zinc/68/91/00/1137689100.db2.gz IKJMWBPZPKIPNU-UHFFFAOYSA-N 0 1 348.349 3.640 20 10 EHCDMN c1c[nH]c([C@@H](NCCCSc2nccs2)c2ccccc2)n1 ZINC000127110082 1137715248 /nfs/dbraw/zinc/71/52/48/1137715248.db2.gz PVJBZFMXXDSXBQ-AWEZNQCLSA-N 0 1 330.482 3.728 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cc1Cl ZINC000826120251 1137758413 /nfs/dbraw/zinc/75/84/13/1137758413.db2.gz ABZWHNMYAIDLQZ-OAHLLOKOSA-N 0 1 348.830 3.564 20 10 EHCDMN CCC(CC)[N@@H+](CCOC)Cc1cccc(Br)c1[O-] ZINC000133487797 1137894295 /nfs/dbraw/zinc/89/42/95/1137894295.db2.gz MDICRQQWDZECFM-UHFFFAOYSA-N 0 1 330.266 3.792 20 10 EHCDMN Oc1ccccc1CN(Cc1cccc(Cl)n1)C[C@H]1CCCO1 ZINC000072629266 1138106733 /nfs/dbraw/zinc/10/67/33/1138106733.db2.gz HHHNBRFVWUCHCD-MRXNPFEDSA-N 0 1 332.831 3.622 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ncccc2C)C(C)C)c1[O-] ZINC000175678744 1139509697 /nfs/dbraw/zinc/50/96/97/1139509697.db2.gz ZDBFYEYMBKYULE-KRWDZBQOSA-N 0 1 330.403 3.924 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ncccc2C)C(C)C)c1[O-] ZINC000175678722 1139510292 /nfs/dbraw/zinc/51/02/92/1139510292.db2.gz ZDBFYEYMBKYULE-QGZVFWFLSA-N 0 1 330.403 3.924 20 10 EHCDMN C[C@@H](c1ccccc1)N(CC(=O)N1CCCC1)Cc1ccccc1O ZINC000176674264 1139572500 /nfs/dbraw/zinc/57/25/00/1139572500.db2.gz IYXICFBGOODKCC-KRWDZBQOSA-N 0 1 338.451 3.578 20 10 EHCDMN COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000179958876 1139796853 /nfs/dbraw/zinc/79/68/53/1139796853.db2.gz GNJZJDOILMDTJX-JTQLQIEISA-N 0 1 335.350 3.732 20 10 EHCDMN COc1ccc(F)cc1[C@H](C)NCc1cc(F)cc(C(C)=O)c1O ZINC000179958876 1139796856 /nfs/dbraw/zinc/79/68/56/1139796856.db2.gz GNJZJDOILMDTJX-JTQLQIEISA-N 0 1 335.350 3.732 20 10 EHCDMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(Cl)c1[O-] ZINC000180049873 1139804456 /nfs/dbraw/zinc/80/44/56/1139804456.db2.gz CIBNGPFRBOFNOK-UHFFFAOYSA-N 0 1 346.858 3.770 20 10 EHCDMN CSCC[C@H](N[C@H](C)c1ccccc1O)c1nnc2ccccn21 ZINC000183392194 1140034347 /nfs/dbraw/zinc/03/43/47/1140034347.db2.gz XVIHFQPMNJRQJA-HIFRSBDPSA-N 0 1 342.468 3.580 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cc(F)ccc1[O-] ZINC000186148716 1140188918 /nfs/dbraw/zinc/18/89/18/1140188918.db2.gz TZDVUWPLEXANNO-KSSFIOAISA-N 0 1 331.431 3.984 20 10 EHCDMN COc1cc(OC)c(OC)cc1N[C@@H](C)c1ccc(F)c(F)c1O ZINC000187905389 1140275772 /nfs/dbraw/zinc/27/57/72/1140275772.db2.gz BZBXKMVQBDFAAS-VIFPVBQESA-N 0 1 339.338 3.869 20 10 EHCDMN Cc1cc(N[C@@H](C)c2ccc(F)c(F)c2O)ccc1N1CCOCC1 ZINC000187911877 1140276215 /nfs/dbraw/zinc/27/62/15/1140276215.db2.gz JZANEVIWOJZHGQ-ZDUSSCGKSA-N 0 1 348.393 3.989 20 10 EHCDMN COc1ccc(O)c(CNCc2cc(F)ccc2Br)c1 ZINC000038039031 213195461 /nfs/dbraw/zinc/19/54/61/213195461.db2.gz JQOGULYZTZYJJB-UHFFFAOYSA-N 0 1 340.192 3.592 20 10 EHCDMN Cc1oc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1C(=O)[O-] ZINC000738980245 600318637 /nfs/dbraw/zinc/31/86/37/600318637.db2.gz QGGOUWFLGFRMSS-UHFFFAOYSA-N 0 1 329.396 3.937 20 10 EHCDMN CCC[N@@H+](Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccccc1O ZINC001595890766 982922365 /nfs/dbraw/zinc/92/23/65/982922365.db2.gz CTWGFSURTPHDNP-UHFFFAOYSA-N 0 1 328.412 3.708 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](CCC(=O)[O-])Cc2cccc(F)c2F)cc1 ZINC001598317899 991308411 /nfs/dbraw/zinc/30/84/11/991308411.db2.gz QWMDMCUBLVGJGA-UHFFFAOYSA-N 0 1 348.393 3.508 20 10 EHCDMN CC(C)(C)OC(=O)NC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000154868831 1015877898 /nfs/dbraw/zinc/87/78/98/1015877898.db2.gz FICRIMLBHAPOLV-UHFFFAOYSA-N 0 1 340.851 3.535 20 10 EHCDMN CC1=CCC[C@@H](C)[C@H]1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001594113638 998227992 /nfs/dbraw/zinc/22/79/92/998227992.db2.gz OQHYMBKQOBYSFS-CJNGLKHVSA-N 0 1 337.847 3.925 20 10 EHCDMN C[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000309839884 1018378133 /nfs/dbraw/zinc/37/81/33/1018378133.db2.gz VOPYEGXYZGHACA-KDOFPFPSSA-N 0 1 330.859 3.798 20 10 EHCDMN COc1cc(C)cc(CN[C@@H](COCC(C)C)c2ccco2)c1O ZINC000894210784 1019333102 /nfs/dbraw/zinc/33/31/02/1019333102.db2.gz GXHVWIHEFJJZII-INIZCTEOSA-N 0 1 333.428 3.806 20 10 EHCDMN C[C@H](NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ncnn1C ZINC000276682645 1022241524 /nfs/dbraw/zinc/24/15/24/1022241524.db2.gz LVNIVLMJPSZVQH-ZDUSSCGKSA-N 0 1 344.503 3.967 20 10 EHCDMN CCOCc1cc(CNCc2cc(C)cc(Cl)n2)ccc1OC ZINC000281923600 1025707534 /nfs/dbraw/zinc/70/75/34/1025707534.db2.gz GWVVKDPPHIWLDR-UHFFFAOYSA-N 0 1 334.847 3.878 20 10 EHCDMN C[NH+](C)Cc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048797072 1026267511 /nfs/dbraw/zinc/26/75/11/1026267511.db2.gz VSZIEMSTZOUBIU-UHFFFAOYSA-N 0 1 335.245 3.828 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(Br)ccc1[O-] ZINC000273455167 1027437305 /nfs/dbraw/zinc/43/73/05/1027437305.db2.gz GWEZVTWNZZTBRC-DGCLKSJQSA-N 0 1 340.261 3.907 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1[O-] ZINC000273500944 1027462655 /nfs/dbraw/zinc/46/26/55/1027462655.db2.gz QCBOZNIIJVSEAG-NOZJJQNGSA-N 0 1 336.233 3.606 20 10 EHCDMN C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(Br)cc1[O-] ZINC000273526035 1027475654 /nfs/dbraw/zinc/47/56/54/1027475654.db2.gz VIZDGIHCYXOSEE-NSHDSACASA-N 0 1 330.266 3.604 20 10 EHCDMN Cc1cc([O-])c(C[NH+]2CCC(N(C)CC(F)F)CC2)c(Cl)c1 ZINC000840917940 1027732878 /nfs/dbraw/zinc/73/28/78/1027732878.db2.gz WFDVTYKOGGKORA-UHFFFAOYSA-N 0 1 332.822 3.515 20 10 EHCDMN CC[C@H]([NH2+]CCC1(O)CCC1)c1cc(Br)ccc1[O-] ZINC000284521096 1029132290 /nfs/dbraw/zinc/13/22/90/1029132290.db2.gz ZBWHCNXQZOLSJH-ZDUSSCGKSA-N 0 1 328.250 3.501 20 10 EHCDMN CC1(C)CCC[C@@](O)(C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000782535708 1033709304 /nfs/dbraw/zinc/70/93/04/1033709304.db2.gz UIYXTJVTRDRMTJ-INIZCTEOSA-N 0 1 342.277 3.576 20 10 EHCDMN CC(C)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)NC(=O)OC(C)(C)C ZINC000227121635 1033716445 /nfs/dbraw/zinc/71/64/45/1033716445.db2.gz GEAIWQTXEXKUPB-AWEZNQCLSA-N 0 1 342.867 3.685 20 10 EHCDMN CN(c1ccc(CNc2ncnc3[nH]cnc32)cc1)C1CCCCC1 ZINC000064114880 1033995554 /nfs/dbraw/zinc/99/55/54/1033995554.db2.gz DEDPULVCQJLRCU-UHFFFAOYSA-N 0 1 336.443 3.734 20 10 EHCDMN CC[N@@H+](CCC1CC1)Cc1cc(Br)cc(OC)c1[O-] ZINC000761226303 1034822824 /nfs/dbraw/zinc/82/28/24/1034822824.db2.gz OHMQFEOELVNVAB-UHFFFAOYSA-N 0 1 328.250 3.785 20 10 EHCDMN CC[N@H+](CCC1CC1)Cc1cc(Br)cc(OC)c1[O-] ZINC000761226303 1034822813 /nfs/dbraw/zinc/82/28/13/1034822813.db2.gz OHMQFEOELVNVAB-UHFFFAOYSA-N 0 1 328.250 3.785 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072700 1035263313 /nfs/dbraw/zinc/26/33/13/1035263313.db2.gz NPJOVTQZRWNNQS-SNVBAGLBSA-N 0 1 326.227 3.802 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000185686487 1035511834 /nfs/dbraw/zinc/51/18/34/1035511834.db2.gz BAAJTGSWTZOOMR-DGCLKSJQSA-N 0 1 335.810 3.509 20 10 EHCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(Br)n1 ZINC000924574856 1035798830 /nfs/dbraw/zinc/79/88/30/1035798830.db2.gz QBRDWIJJKIWBLG-GFCCVEGCSA-N 0 1 334.261 3.761 20 10 EHCDMN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc3ccccc3c1[O-])C2 ZINC000363858570 1038706648 /nfs/dbraw/zinc/70/66/48/1038706648.db2.gz DXYNOHUSMRPLNQ-SUMWQHHRSA-N 0 1 333.435 3.852 20 10 EHCDMN CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000156004684 1039453405 /nfs/dbraw/zinc/45/34/05/1039453405.db2.gz GPIQCBSCDTYBHK-QMTHXVAHSA-N 0 1 338.249 3.690 20 10 EHCDMN Cc1cc(Cl)cc([C@@H](C)NCc2nc3c(s2)COCC3)c1O ZINC000927119668 1040612750 /nfs/dbraw/zinc/61/27/50/1040612750.db2.gz YJVFRSMYYLBSTN-SNVBAGLBSA-N 0 1 338.860 3.734 20 10 EHCDMN CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756606241 1041226417 /nfs/dbraw/zinc/22/64/17/1041226417.db2.gz XACCMCFLMOFYRQ-BLLLJJGKSA-N 0 1 344.293 3.993 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000124604043 1041723618 /nfs/dbraw/zinc/72/36/18/1041723618.db2.gz SATPJENGGQWLSG-LJQANCHMSA-N 0 1 331.843 3.991 20 10 EHCDMN COc1cc(OC)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000164404404 1042178585 /nfs/dbraw/zinc/17/85/85/1042178585.db2.gz SFTHPRAOWSCFAK-AWEZNQCLSA-N 0 1 344.455 3.629 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000756737908 1042204940 /nfs/dbraw/zinc/20/49/40/1042204940.db2.gz HYKHABPPTFSJMU-BJOHPYRUSA-N 0 1 327.758 3.708 20 10 EHCDMN CC[C@H]([NH2+]CC(C)(C)CCO)c1cc(Br)ccc1[O-] ZINC000186225073 1042650046 /nfs/dbraw/zinc/65/00/46/1042650046.db2.gz MIBXCZXDHWKWTB-ZDUSSCGKSA-N 0 1 330.266 3.604 20 10 EHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F ZINC000264527907 1125660619 /nfs/dbraw/zinc/66/06/19/1125660619.db2.gz FYDXZLUVCXVAKC-AWEZNQCLSA-N 0 1 332.394 3.652 20 10 EHCDMN Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc3ccccc3c2[O-])cc1C ZINC001659389426 1126263322 /nfs/dbraw/zinc/26/33/22/1126263322.db2.gz OYEYQQIAKLXLKD-FQEVSTJZSA-N 0 1 335.447 3.855 20 10 EHCDMN CCOc1cccc(CN2CCN([C@H](C)c3ccsc3)CC2)c1O ZINC000184971808 1126724425 /nfs/dbraw/zinc/72/44/25/1126724425.db2.gz TUAWWSOLYWFSPE-OAHLLOKOSA-N 0 1 346.496 3.731 20 10 EHCDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C12CCC2 ZINC000763452830 1123571608 /nfs/dbraw/zinc/57/16/08/1123571608.db2.gz NAIFQLXSFWBCDW-DLBZAZTESA-N 0 1 335.419 3.513 20 10 EHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCOC[C@@H]1C1CC1 ZINC000183096649 1125443508 /nfs/dbraw/zinc/44/35/08/1125443508.db2.gz MUAVZKKMZMPGLK-HXUWFJFHSA-N 0 1 339.435 3.582 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000922465431 1129542593 /nfs/dbraw/zinc/54/25/93/1129542593.db2.gz CNSOBWSZMOFVDO-UHFFFAOYSA-N 0 1 347.256 3.718 20 10 EHCDMN COc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1Cn1cccn1 ZINC000922582653 1129582146 /nfs/dbraw/zinc/58/21/46/1129582146.db2.gz PDNDCWYVZZNDDP-NRFANRHFSA-N 0 1 348.450 3.576 20 10 EHCDMN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000700641869 1130053600 /nfs/dbraw/zinc/05/36/00/1130053600.db2.gz SIEDOIINHYBFPI-WMLDXEAASA-N 0 1 346.421 3.671 20 10 EHCDMN CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000731842827 1130850884 /nfs/dbraw/zinc/85/08/84/1130850884.db2.gz HUJMCCHEHUFSMY-VQIMIIECSA-N 0 1 340.467 3.870 20 10 EHCDMN CCC[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1O)c1ccccc1 ZINC000731842827 1130850892 /nfs/dbraw/zinc/85/08/92/1130850892.db2.gz HUJMCCHEHUFSMY-VQIMIIECSA-N 0 1 340.467 3.870 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000733322960 1131024808 /nfs/dbraw/zinc/02/48/08/1131024808.db2.gz GUNJBUOHXKKNAZ-MRXNPFEDSA-N 0 1 334.847 3.955 20 10 EHCDMN C[C@H](C(=O)NC1CCCC1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741711659 1131635935 /nfs/dbraw/zinc/63/59/35/1131635935.db2.gz MMXJYNURDPNXFZ-QGZVFWFLSA-N 0 1 343.515 3.556 20 10 EHCDMN CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001173655124 1132123783 /nfs/dbraw/zinc/12/37/83/1132123783.db2.gz XGAFLOVAUKMBKH-KDOFPFPSSA-N 0 1 327.424 3.757 20 10 EHCDMN Oc1c(Br)cccc1CN1CCO[C@H](c2ccccc2)C1 ZINC000768237721 1133116057 /nfs/dbraw/zinc/11/60/57/1133116057.db2.gz NNBKKFINKUTIBC-INIZCTEOSA-N 0 1 348.240 3.728 20 10 EHCDMN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCC(C(C)(C)C)CC1 ZINC000768440091 1133138271 /nfs/dbraw/zinc/13/82/71/1133138271.db2.gz NTLFQXBMCBCASI-JMLCCBQJSA-N 0 1 333.472 3.855 20 10 EHCDMN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCC(C(C)(C)C)CC1 ZINC000768440091 1133138272 /nfs/dbraw/zinc/13/82/72/1133138272.db2.gz NTLFQXBMCBCASI-JMLCCBQJSA-N 0 1 333.472 3.855 20 10 EHCDMN COc1cc(O)c(CN2CC(C)(C)[C@@H]2c2ccccc2)cc1OC ZINC000768441534 1133139251 /nfs/dbraw/zinc/13/92/51/1133139251.db2.gz DFPBTPHJSZUGKU-IBGZPJMESA-N 0 1 327.424 3.993 20 10 EHCDMN C[C@H](NCc1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000068478401 1133210348 /nfs/dbraw/zinc/21/03/48/1133210348.db2.gz RFFUVZKNPUEUNW-AWEZNQCLSA-N 0 1 332.394 3.652 20 10 EHCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)cc1F ZINC000769350875 1133268598 /nfs/dbraw/zinc/26/85/98/1133268598.db2.gz JCEOUTJVEWEWKP-UHFFFAOYSA-N 0 1 348.849 3.948 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc3c2OCC3)cc1 ZINC001179845115 1133290374 /nfs/dbraw/zinc/29/03/74/1133290374.db2.gz LMGSOXQHYLVTAV-UHFFFAOYSA-N 0 1 330.859 3.973 20 10 EHCDMN CN(C)c1ccc(CN(C)Cc2cc(Cl)cc3c2OCC3)cc1 ZINC001179845115 1133290381 /nfs/dbraw/zinc/29/03/81/1133290381.db2.gz LMGSOXQHYLVTAV-UHFFFAOYSA-N 0 1 330.859 3.973 20 10 EHCDMN CCOc1ccc(O)c(CN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000769476783 1133299626 /nfs/dbraw/zinc/29/96/26/1133299626.db2.gz ZPMLTSPLJSMMBV-JLTOFOAXSA-N 0 1 345.414 3.892 20 10 EHCDMN CC[C@@H]1CN(Cc2cc(F)c(F)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001180688048 1133406876 /nfs/dbraw/zinc/40/68/76/1133406876.db2.gz UBWKEWBYZYTPSM-QGZVFWFLSA-N 0 1 346.421 3.767 20 10 EHCDMN CC[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[N@@H+]1Cc1ccccc1 ZINC001180688048 1133406881 /nfs/dbraw/zinc/40/68/81/1133406881.db2.gz UBWKEWBYZYTPSM-QGZVFWFLSA-N 0 1 346.421 3.767 20 10 EHCDMN CC[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC001180688048 1133406884 /nfs/dbraw/zinc/40/68/84/1133406884.db2.gz UBWKEWBYZYTPSM-QGZVFWFLSA-N 0 1 346.421 3.767 20 10 EHCDMN CN(C)c1ccc(CN(Cc2ccco2)Cc2cc[nH]c(=O)c2)cc1 ZINC001181566662 1133503832 /nfs/dbraw/zinc/50/38/32/1133503832.db2.gz ZDERRJXNBROOSI-UHFFFAOYSA-N 0 1 337.423 3.649 20 10 EHCDMN Fc1cc(CN2CC[C@H]2c2ccccc2)ccc1N1CCOCC1 ZINC000771940816 1133618157 /nfs/dbraw/zinc/61/81/57/1133618157.db2.gz WUKQCGXMDMABEZ-IBGZPJMESA-N 0 1 326.415 3.609 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC001182463205 1133681630 /nfs/dbraw/zinc/68/16/30/1133681630.db2.gz UOWNVAUAVKLGOG-CQSZACIVSA-N 0 1 342.302 3.872 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC001182463205 1133681634 /nfs/dbraw/zinc/68/16/34/1133681634.db2.gz UOWNVAUAVKLGOG-CQSZACIVSA-N 0 1 342.302 3.872 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000785614251 1133731432 /nfs/dbraw/zinc/73/14/32/1133731432.db2.gz GELXKWJKZNMPRT-OAHLLOKOSA-N 0 1 330.186 3.661 20 10 EHCDMN 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CC[C@H]([NH2+]CC[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000229574544 1034267034 /nfs/dbraw/zinc/26/70/34/1034267034.db2.gz DVNKTDGXWOFTEC-FZMZJTMJSA-N 0 1 328.250 3.622 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCSCC(F)(F)F ZINC000698948153 1037428557 /nfs/dbraw/zinc/42/85/57/1037428557.db2.gz WGPQSYZAAXYXDZ-UHFFFAOYSA-N 0 1 344.196 3.540 20 10 EHCDMN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)Cc1ccccc1O ZINC000111235466 1037728929 /nfs/dbraw/zinc/72/89/29/1037728929.db2.gz QCYCUUXABADUIZ-ZBFHGGJFSA-N 0 1 344.480 3.638 20 10 EHCDMN Oc1c(Br)cc(Cl)cc1CNc1nc(C2CC2)no1 ZINC000905411291 1038866871 /nfs/dbraw/zinc/86/68/71/1038866871.db2.gz GSVFIVYUXTYTLT-UHFFFAOYSA-N 0 1 344.596 3.681 20 10 EHCDMN CCOc1ccc(O)c(CN[C@@H](COCC(C)C)c2ccco2)c1 ZINC000236847919 1039269969 /nfs/dbraw/zinc/26/99/69/1039269969.db2.gz BDKLSEBNDZCCIS-KRWDZBQOSA-N 0 1 333.428 3.887 20 10 EHCDMN C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000756661173 1041762933 /nfs/dbraw/zinc/76/29/33/1041762933.db2.gz 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[O-]c1cc2c(cc1C[N@H+]1CC[C@H](N3CC=CC3)C1)oc1ccccc12 ZINC000742163140 1131692031 /nfs/dbraw/zinc/69/20/31/1131692031.db2.gz QIWZRTYGDIYUKA-INIZCTEOSA-N 0 1 334.419 3.738 20 10 EHCDMN Cc1csc([C@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)n1 ZINC000742376781 1131717657 /nfs/dbraw/zinc/71/76/57/1131717657.db2.gz HEVBTCDONYTVSJ-GOSISDBHSA-N 0 1 343.496 3.529 20 10 EHCDMN CCN(C)c1ccc(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001175883014 1132781033 /nfs/dbraw/zinc/78/10/33/1132781033.db2.gz ODIUFWXFXAHXFB-XJKSGUPXSA-N 0 1 330.394 3.684 20 10 EHCDMN Cc1cc(CN2CCN(c3ccccc3F)C[C@H]2C)ccc1N(C)C ZINC001169929192 1132900910 /nfs/dbraw/zinc/90/09/10/1132900910.db2.gz UFWDOFMSMLQZOC-QGZVFWFLSA-N 0 1 341.474 3.911 20 10 EHCDMN Cc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)o1 ZINC000767359701 1132989162 /nfs/dbraw/zinc/98/91/62/1132989162.db2.gz JERQAXDNTFUUJC-GJZGRUSLSA-N 0 1 346.446 3.939 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1CN[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001179193961 1133237294 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Cc1csc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])n1 ZINC000691502516 1133559807 /nfs/dbraw/zinc/55/98/07/1133559807.db2.gz UHWSJCCGHSBLRC-SECBINFHSA-N 0 1 327.247 3.770 20 10 EHCDMN Cc1csc([C@@H](C)NCc2ccc(Br)cc2O)n1 ZINC000691502516 1133559808 /nfs/dbraw/zinc/55/98/08/1133559808.db2.gz UHWSJCCGHSBLRC-SECBINFHSA-N 0 1 327.247 3.770 20 10 EHCDMN C[N@@H+](CCC1CC1)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000746628493 1133942061 /nfs/dbraw/zinc/94/20/61/1133942061.db2.gz VVQZIUPRZCGUIO-UHFFFAOYSA-N 0 1 325.408 3.561 20 10 EHCDMN Oc1ccccc1CNCc1cnn(Cc2ccccc2)c1Cl ZINC000790532385 1134432242 /nfs/dbraw/zinc/43/22/42/1134432242.db2.gz HFXRZZSGHINBSV-UHFFFAOYSA-N 0 1 327.815 3.580 20 10 EHCDMN CCOc1ccc(O)c(CN2CCO[C@@H](c3ccc(CC)cc3)C2)c1 ZINC000792190835 1134666504 /nfs/dbraw/zinc/66/65/04/1134666504.db2.gz VHOULALMOQMYDQ-OAQYLSRUSA-N 0 1 341.451 3.927 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCSCC[C@@H]2C)c1 ZINC000792195069 1134667298 /nfs/dbraw/zinc/66/72/98/1134667298.db2.gz CGBRMCPYSFUVJN-NSHDSACASA-N 0 1 330.291 3.791 20 10 EHCDMN C[C@H](NCc1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000775365157 1134668051 /nfs/dbraw/zinc/66/80/51/1134668051.db2.gz VCKJRQJYHUEAJR-LBPRGKRZSA-N 0 1 334.261 3.761 20 10 EHCDMN CC[C@H]1C[C@@H](N2CCc3c(c4cc(OC)ccc4n3C)C2)CCO1 ZINC001170227993 1134723616 /nfs/dbraw/zinc/72/36/16/1134723616.db2.gz RIBICLMPUSDLMC-GJZGRUSLSA-N 0 1 328.456 3.503 20 10 EHCDMN CCCN(CCC)c1ccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000793363393 1134910363 /nfs/dbraw/zinc/91/03/63/1134910363.db2.gz UDECBDHATUBOMM-GHTZIAJQSA-N 0 1 346.515 3.693 20 10 EHCDMN CC[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000775485158 1134926361 /nfs/dbraw/zinc/92/63/61/1134926361.db2.gz OFIBYYHJHDKJQR-GDBMZVCRSA-N 0 1 327.852 3.672 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1[O-] ZINC000775491276 1134936564 /nfs/dbraw/zinc/93/65/64/1134936564.db2.gz HIHUELBZKPVBGZ-HOCLYGCPSA-N 0 1 346.862 3.545 20 10 EHCDMN CC[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775491932 1134944436 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Cc1nc([C@@H]2CCCCN2Cc2cc(Cl)cc(F)c2O)no1 ZINC000775659820 1135434092 /nfs/dbraw/zinc/43/40/92/1135434092.db2.gz ORMAJLPNXZQCNQ-ZDUSSCGKSA-N 0 1 325.771 3.603 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CCCSC1 ZINC000807595465 1135557752 /nfs/dbraw/zinc/55/77/52/1135557752.db2.gz UJCZFZBLSZXDJQ-SECBINFHSA-N 0 1 349.283 3.641 20 10 EHCDMN COc1ccccc1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838946 1135575239 /nfs/dbraw/zinc/57/52/39/1135575239.db2.gz UFPFNOLWPPVUBQ-UHFFFAOYSA-N 0 1 340.206 3.567 20 10 EHCDMN CSc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000807840392 1135576131 /nfs/dbraw/zinc/57/61/31/1135576131.db2.gz BHSLGAAMIBQSFZ-UHFFFAOYSA-N 0 1 332.208 3.944 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(Cl)ccn1 ZINC000807834361 1135579738 /nfs/dbraw/zinc/57/97/38/1135579738.db2.gz LIRZZRDYGYTYGE-UHFFFAOYSA-N 0 1 331.586 3.677 20 10 EHCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1cccnc1 ZINC000807837250 1135580375 /nfs/dbraw/zinc/58/03/75/1135580375.db2.gz IRVNLSVYPHMQBI-SECBINFHSA-N 0 1 325.195 3.514 20 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DYRNGVKQZFFFKN-GFCCVEGCSA-N 0 1 325.836 3.690 20 10 EHCDMN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)c1c[nH]c2ncccc12 ZINC000775834490 1135788958 /nfs/dbraw/zinc/78/89/58/1135788958.db2.gz SYLIOLVXUZYRFB-ZIAGYGMSSA-N 0 1 336.439 3.551 20 10 EHCDMN C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000809701548 1135869994 /nfs/dbraw/zinc/86/99/94/1135869994.db2.gz GQXBJRNIRRIQAW-IUODEOHRSA-N 0 1 342.277 3.670 20 10 EHCDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000809701548 1135869997 /nfs/dbraw/zinc/86/99/97/1135869997.db2.gz GQXBJRNIRRIQAW-IUODEOHRSA-N 0 1 342.277 3.670 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2cccnc2)c1[O-] ZINC000809729452 1135872786 /nfs/dbraw/zinc/87/27/86/1135872786.db2.gz SWJMPOQUSSAAIR-AWEZNQCLSA-N 0 1 333.775 3.686 20 10 EHCDMN Cc1ccncc1CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809713620 1135876331 /nfs/dbraw/zinc/87/63/31/1135876331.db2.gz USSFYDYNFAKDGZ-UHFFFAOYSA-N 0 1 335.245 3.581 20 10 EHCDMN COC1(C[C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])CCC1 ZINC000809713393 1135876493 /nfs/dbraw/zinc/87/64/93/1135876493.db2.gz OKIJUNRPVHLOPP-LLVKDONJSA-N 0 1 328.250 3.592 20 10 EHCDMN CC(C)OC(=O)C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000809763205 1135888416 /nfs/dbraw/zinc/88/84/16/1135888416.db2.gz LRRDHHAKUJPBBL-IBGZPJMESA-N 0 1 339.435 3.794 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215858 1135938440 /nfs/dbraw/zinc/93/84/40/1135938440.db2.gz NOBULTWMXJEYIW-SWLSCSKDSA-N 0 1 328.378 3.688 20 10 EHCDMN CCc1cc(C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2[O-])[nH]n1 ZINC000810217364 1135938754 /nfs/dbraw/zinc/93/87/54/1135938754.db2.gz BUTTVVNKHFVOGN-CQSZACIVSA-N 0 1 327.350 3.937 20 10 EHCDMN CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224082 1135940078 /nfs/dbraw/zinc/94/00/78/1135940078.db2.gz TWORKAFLVZJLTQ-BXUZGUMPSA-N 0 1 327.350 3.737 20 10 EHCDMN Clc1cnn([C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC000811520748 1136098242 /nfs/dbraw/zinc/09/82/42/1136098242.db2.gz UJOCCNVBUROGGY-IBGZPJMESA-N 0 1 344.890 3.974 20 10 EHCDMN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000811511727 1136102773 /nfs/dbraw/zinc/10/27/73/1136102773.db2.gz SDHAWDCHDALVND-CYBMUJFWSA-N 0 1 342.823 3.733 20 10 EHCDMN CO[C@](C)(C[NH2+][C@H](C)c1cc(Br)ccc1[O-])C1CC1 ZINC000812734454 1136239439 /nfs/dbraw/zinc/23/94/39/1136239439.db2.gz MRJWYJZLJOCAEF-MEBBXXQBSA-N 0 1 328.250 3.620 20 10 EHCDMN OC1CCN(c2ccc(CNCc3sccc3Cl)cc2)CC1 ZINC000850406686 1136250935 /nfs/dbraw/zinc/25/09/35/1136250935.db2.gz QAECOBQHALHHFX-UHFFFAOYSA-N 0 1 336.888 3.652 20 10 EHCDMN COC1CC(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000850480967 1136266963 /nfs/dbraw/zinc/26/69/63/1136266963.db2.gz DBGLIXZZYCOUDP-ZBOXLXRLSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000850494788 1136271263 /nfs/dbraw/zinc/27/12/63/1136271263.db2.gz RYGYRGWBKKIVQL-WCQYABFASA-N 0 1 341.293 3.678 20 10 EHCDMN CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Cl)ccc1[O-] ZINC000850561878 1136286499 /nfs/dbraw/zinc/28/64/99/1136286499.db2.gz LFNUJQFMGNGEMT-YJBOKZPZSA-N 0 1 341.879 3.654 20 10 EHCDMN CSc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109770215 1136339588 /nfs/dbraw/zinc/33/95/88/1136339588.db2.gz LNYHEFUWWFEBAP-ZDUSSCGKSA-N 0 1 330.453 3.573 20 10 EHCDMN Cc1cccnc1/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682677 1136355993 /nfs/dbraw/zinc/35/59/93/1136355993.db2.gz HBJAMSKNNSYJEL-PLNGDYQASA-N 0 1 337.206 3.732 20 10 EHCDMN CCN(C)c1ccc(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000851707248 1136400630 /nfs/dbraw/zinc/40/06/30/1136400630.db2.gz YBKRGDLQIYBESR-QUCCMNQESA-N 0 1 344.499 3.998 20 10 EHCDMN Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853610951 1136549115 /nfs/dbraw/zinc/54/91/15/1136549115.db2.gz VULJAFCKXTXDNT-BEFAXECRSA-N 0 1 331.456 3.610 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1cc[nH]c(=O)c1 ZINC000815642703 1136625143 /nfs/dbraw/zinc/62/51/43/1136625143.db2.gz JYWXIFCQQGVBCY-ZJUUUORDSA-N 0 1 337.217 3.667 20 10 EHCDMN [O-]c1c(C[NH2+]CCOc2ccc(F)c(F)c2)ccc2ccccc21 ZINC000816547572 1136732135 /nfs/dbraw/zinc/73/21/35/1136732135.db2.gz ARIBCVDQAGUUJN-UHFFFAOYSA-N 0 1 329.346 3.992 20 10 EHCDMN C[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])c1ccc(NC(N)=O)cc1 ZINC000816549421 1136732532 /nfs/dbraw/zinc/73/25/32/1136732532.db2.gz NJIFELNDXSQEPK-ZDUSSCGKSA-N 0 1 335.407 3.887 20 10 EHCDMN [O-]c1c(C[NH2+]CC[C@H]2COc3ccccc3O2)ccc2ccccc21 ZINC000816558056 1136736740 /nfs/dbraw/zinc/73/67/40/1136736740.db2.gz LQBLIARFOIUAND-KRWDZBQOSA-N 0 1 335.403 3.865 20 10 EHCDMN [O-]c1c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)ccc2ccccc21 ZINC000816566866 1136738141 /nfs/dbraw/zinc/73/81/41/1136738141.db2.gz JNNCAKGDBNKAKK-MRXNPFEDSA-N 0 1 341.451 3.563 20 10 EHCDMN CCCc1nc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000816682087 1136748376 /nfs/dbraw/zinc/74/83/76/1136748376.db2.gz OPPMSQLIKXPYDL-UHFFFAOYSA-N 0 1 343.210 3.878 20 10 EHCDMN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])CCO1 ZINC000817587497 1136825929 /nfs/dbraw/zinc/82/59/29/1136825929.db2.gz YPZXMFLVGSLQLZ-KGYLQXTDSA-N 0 1 328.250 3.763 20 10 EHCDMN CC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](CC)O1 ZINC000817280364 1136790913 /nfs/dbraw/zinc/79/09/13/1136790913.db2.gz DEZUMMCAJMURRA-BGYRXZFFSA-N 0 1 346.515 3.691 20 10 EHCDMN C[C@@H](N[C@@H](C)c1ccncc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000817574507 1136821414 /nfs/dbraw/zinc/82/14/14/1136821414.db2.gz PDORRVXRULTPKN-CABCVRRESA-N 0 1 345.874 3.983 20 10 EHCDMN C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817950836 1136850523 /nfs/dbraw/zinc/85/05/23/1136850523.db2.gz ZWYLMXIGDRYSBN-ONGXEEELSA-N 0 1 347.684 3.601 20 10 EHCDMN COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc([O-])c3Cl)C2)cc1 ZINC000818219905 1136867280 /nfs/dbraw/zinc/86/72/80/1136867280.db2.gz FCAGAFIKJFCVEM-AWEZNQCLSA-N 0 1 346.858 3.670 20 10 EHCDMN CC[C@@H](NCc1nn(CC)nc1C)c1ccc(C(F)(F)F)cc1O ZINC000818344267 1136873350 /nfs/dbraw/zinc/87/33/50/1136873350.db2.gz BCVMVTWZZORVGI-CYBMUJFWSA-N 0 1 342.365 3.572 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015858 1136931594 /nfs/dbraw/zinc/93/15/94/1136931594.db2.gz DHIZAAILQVWYLB-MRXNPFEDSA-N 0 1 344.842 3.971 20 10 EHCDMN CO[C@H](C[NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000858106095 1136940842 /nfs/dbraw/zinc/94/08/42/1136940842.db2.gz YWDOMOMCTQGBEM-MRXNPFEDSA-N 0 1 336.229 3.632 20 10 EHCDMN CN(Cc1cn[nH]c1)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823452556 1137100301 /nfs/dbraw/zinc/10/03/01/1137100301.db2.gz CFPWYHNBNRXKSK-UHFFFAOYSA-N 0 1 326.469 3.740 20 10 EHCDMN CCCO[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862242926 1137134579 /nfs/dbraw/zinc/13/45/79/1137134579.db2.gz UQDLFTMBAYHGIO-ZDUSSCGKSA-N 0 1 342.277 3.936 20 10 EHCDMN CCCO[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862242926 1137134581 /nfs/dbraw/zinc/13/45/81/1137134581.db2.gz UQDLFTMBAYHGIO-ZDUSSCGKSA-N 0 1 342.277 3.936 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824695943 1137148677 /nfs/dbraw/zinc/14/86/77/1137148677.db2.gz FEOBNIAEQCAEFU-FVQBIDKESA-N 0 1 327.827 3.700 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000824825955 1137155411 /nfs/dbraw/zinc/15/54/11/1137155411.db2.gz UPRUFZGMMXKMSM-UHFFFAOYSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000824825955 1137155412 /nfs/dbraw/zinc/15/54/12/1137155412.db2.gz UPRUFZGMMXKMSM-UHFFFAOYSA-N 0 1 340.261 3.547 20 10 EHCDMN C[C@H]1C[C@@H](NCc2ccc(OCc3ccccc3)cc2O)c2nccn21 ZINC000825016909 1137161855 /nfs/dbraw/zinc/16/18/55/1137161855.db2.gz IWYCDXXFSSWIGZ-HNAYVOBHSA-N 0 1 349.434 3.963 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1Cl ZINC000825101485 1137163657 /nfs/dbraw/zinc/16/36/57/1137163657.db2.gz DBHXALGTHYXQAS-UHFFFAOYSA-N 0 1 331.847 3.639 20 10 EHCDMN CCCc1ncc(CNCc2cc(Br)cc(C)c2O)o1 ZINC000825084325 1137164806 /nfs/dbraw/zinc/16/48/06/1137164806.db2.gz DRWOMWCOVPTXOW-UHFFFAOYSA-N 0 1 339.233 3.693 20 10 EHCDMN CCN(CC)c1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000825113452 1137165974 /nfs/dbraw/zinc/16/59/74/1137165974.db2.gz DCHNHUWVCCEJQD-UHFFFAOYSA-N 0 1 333.863 3.885 20 10 EHCDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)[C@@H]1n1cccn1 ZINC000825118558 1137166321 /nfs/dbraw/zinc/16/63/21/1137166321.db2.gz ULYXPBFSDVWXFK-OIISXLGYSA-N 0 1 349.862 3.529 20 10 EHCDMN CCc1nc(CC[NH2+]Cc2ccc(Br)cc2[O-])cs1 ZINC000825184904 1137167973 /nfs/dbraw/zinc/16/79/73/1137167973.db2.gz CEVZDVSKQIPOMC-UHFFFAOYSA-N 0 1 341.274 3.506 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1[O-] ZINC000825215795 1137169064 /nfs/dbraw/zinc/16/90/64/1137169064.db2.gz WJURTEQOCBCEBY-OAHLLOKOSA-N 0 1 342.848 3.673 20 10 EHCDMN COC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825278667 1137171339 /nfs/dbraw/zinc/17/13/39/1137171339.db2.gz NMPVUKLHUOVMOE-HNNXBMFYSA-N 0 1 336.229 3.632 20 10 EHCDMN COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825352921 1137174487 /nfs/dbraw/zinc/17/44/87/1137174487.db2.gz KHCNZPCVVWURKC-HNNXBMFYSA-N 0 1 348.240 3.940 20 10 EHCDMN Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825365651 1137174991 /nfs/dbraw/zinc/17/49/91/1137174991.db2.gz KEEDYSIZRNGMLG-SECBINFHSA-N 0 1 339.233 3.653 20 10 EHCDMN COc1ccc([C@@H](CCO)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825396284 1137176602 /nfs/dbraw/zinc/17/66/02/1137176602.db2.gz QYBVZKWLIKQYMF-QGZVFWFLSA-N 0 1 335.831 3.576 20 10 EHCDMN Cc1csc([C@@H](C)C[NH2+]Cc2ccc(Br)cc2[O-])n1 ZINC000825509170 1137180481 /nfs/dbraw/zinc/18/04/81/1137180481.db2.gz GTXLOASGFMBCRY-VIFPVBQESA-N 0 1 341.274 3.813 20 10 EHCDMN Oc1ccc2oc3c(c2c1CN1CCO[C@@H](CCF)C1)CCCC3 ZINC000863316430 1137180760 /nfs/dbraw/zinc/18/07/60/1137180760.db2.gz DSOFILCLKGZJPA-ZDUSSCGKSA-N 0 1 333.403 3.578 20 10 EHCDMN CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Br)ccc1[O-] ZINC000794834648 1137276460 /nfs/dbraw/zinc/27/64/60/1137276460.db2.gz OJEKOSXWUHNLRT-ZFWWWQNUSA-N 0 1 342.277 3.747 20 10 EHCDMN COc1cc(Cl)c(CNCc2ccc3c(c2)CCO3)cc1OC ZINC000865440859 1137283981 /nfs/dbraw/zinc/28/39/81/1137283981.db2.gz OKISJNVPWCWURQ-UHFFFAOYSA-N 0 1 333.815 3.582 20 10 EHCDMN Cc1cc(C[N@H+](C)[C@H](CC(C)C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846275168 1137344744 /nfs/dbraw/zinc/34/47/44/1137344744.db2.gz QRWSIPPVATXERA-LJQANCHMSA-N 0 1 332.488 3.916 20 10 EHCDMN CC(C)(CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825628801 1137584621 /nfs/dbraw/zinc/58/46/21/1137584621.db2.gz JFPNDBQIMFUKDO-UHFFFAOYSA-N 0 1 326.156 3.975 20 10 EHCDMN COCCN(Cc1scnc1C)Cc1cc(Cl)c(C)cc1O ZINC000825720264 1137612664 /nfs/dbraw/zinc/61/26/64/1137612664.db2.gz CVZSAXJLCXJDNQ-UHFFFAOYSA-N 0 1 340.876 3.768 20 10 EHCDMN COc1cc(CN(CCO)Cc2ccc(C)o2)c(O)c(C(C)(C)C)c1 ZINC000825752966 1137626099 /nfs/dbraw/zinc/62/60/99/1137626099.db2.gz KXIFRICWEDOLOH-UHFFFAOYSA-N 0 1 347.455 3.594 20 10 EHCDMN Cc1ccc(C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)c(O)c1 ZINC000876557913 1137655417 /nfs/dbraw/zinc/65/54/17/1137655417.db2.gz ITSKZZHSSFFSLW-UHFFFAOYSA-N 0 1 325.408 3.501 20 10 EHCDMN COCCOc1ccc(NCc2ccc(F)c(F)c2O)cc1Cl ZINC000876824300 1137662847 /nfs/dbraw/zinc/66/28/47/1137662847.db2.gz JOFSAWNSCHEPGA-UHFFFAOYSA-N 0 1 343.757 3.961 20 10 EHCDMN Oc1c(CNc2ccc(OC[C@H]3CCCO3)cc2)ccc(F)c1F ZINC000876827177 1137663045 /nfs/dbraw/zinc/66/30/45/1137663045.db2.gz MGSFMFTZPHZQQZ-OAHLLOKOSA-N 0 1 335.350 3.840 20 10 EHCDMN CC[C@@](C)(NCc1ccc(N2CCC(O)CC2)cc1)c1nccs1 ZINC000877047853 1137668638 /nfs/dbraw/zinc/66/86/38/1137668638.db2.gz FIGNTOSMPQAGED-LJQANCHMSA-N 0 1 345.512 3.519 20 10 EHCDMN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(Cl)c(F)cc1O ZINC000877851784 1137693334 /nfs/dbraw/zinc/69/33/34/1137693334.db2.gz MKDZDCTWWDOHNG-HNNXBMFYSA-N 0 1 340.826 3.728 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1Cl ZINC000826011837 1137701168 /nfs/dbraw/zinc/70/11/68/1137701168.db2.gz JIQPUWBDMLAUJK-QGZVFWFLSA-N 0 1 334.847 3.598 20 10 EHCDMN CCN(CC)C(=O)[C@@H](N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000879649264 1137753723 /nfs/dbraw/zinc/75/37/23/1137753723.db2.gz OOPVWICULGKEDC-BEFAXECRSA-N 0 1 326.440 3.653 20 10 EHCDMN CSc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000882923383 1137838708 /nfs/dbraw/zinc/83/87/08/1137838708.db2.gz DMWXKUOOQLRRGY-CQSZACIVSA-N 0 1 332.469 3.689 20 10 EHCDMN C[C@H](NCc1cc(C2CC2)no1)c1cc(Br)ccc1O ZINC000886684064 1138114714 /nfs/dbraw/zinc/11/47/14/1138114714.db2.gz DHPSOUSGKIYPFW-VIFPVBQESA-N 0 1 337.217 3.871 20 10 EHCDMN C[C@H](NCc1cccc2c1OCCCO2)c1ccc(N(C)C)cc1 ZINC000090546743 1138211770 /nfs/dbraw/zinc/21/17/70/1138211770.db2.gz AENIHWLFKFVMQJ-HNNXBMFYSA-N 0 1 326.440 3.765 20 10 EHCDMN COc1cc(O)c(CN(C)[C@@H](C)c2cc(F)ccc2F)cc1OC ZINC000179683225 1139775215 /nfs/dbraw/zinc/77/52/15/1139775215.db2.gz LNGMQFXPGKERSS-NSHDSACASA-N 0 1 337.366 3.881 20 10 EHCDMN CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185030264 1140132626 /nfs/dbraw/zinc/13/26/26/1140132626.db2.gz DZWYQDWFRAKXEC-HNNXBMFYSA-N 0 1 328.456 3.845 20 10 EHCDMN CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185214915 1140140019 /nfs/dbraw/zinc/14/00/19/1140140019.db2.gz COWZDCDNDNYXQH-CYBMUJFWSA-N 0 1 338.879 3.733 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Br)ccc1[O-] ZINC000185771667 1140168323 /nfs/dbraw/zinc/16/83/23/1140168323.db2.gz QODYQPKYJQLVPI-UOJODKQESA-N 0 1 340.261 3.763 20 10 EHCDMN C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(Br)ccc1[O-] ZINC000186558534 1140210127 /nfs/dbraw/zinc/21/01/27/1140210127.db2.gz FWSKMOLVQUGPEN-GWCFXTLKSA-N 0 1 340.217 3.522 20 10 EHCDMN CCCOc1ccc(CN2CCC(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC000187659936 1140266115 /nfs/dbraw/zinc/26/61/15/1140266115.db2.gz OVDRUSUKHZDFPK-UHFFFAOYSA-N 0 1 345.361 3.524 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1[O-] ZINC000189241410 1140329249 /nfs/dbraw/zinc/32/92/49/1140329249.db2.gz HGNIXXTVEVOFMF-QGZVFWFLSA-N 0 1 337.847 3.639 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1cc(Br)ccc1[O-] ZINC000019960312 212090484 /nfs/dbraw/zinc/09/04/84/212090484.db2.gz AEARQNFXZGWVKQ-UKRRQHHQSA-N 0 1 341.293 3.680 20 10 EHCDMN COC1CCC([N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737732833 600623262 /nfs/dbraw/zinc/62/32/62/600623262.db2.gz FPSULVDNIBRBGK-UHFFFAOYSA-N 0 1 343.423 3.633 20 10 EHCDMN C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830859845 602042056 /nfs/dbraw/zinc/04/20/56/602042056.db2.gz MHCPIRIGDUZJAJ-OAHLLOKOSA-N 0 1 340.206 3.957 20 10 EHCDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000840998193 955587283 /nfs/dbraw/zinc/58/72/83/955587283.db2.gz UHQYYGUVPINKHU-UHFFFAOYSA-N 0 1 338.451 3.544 20 10 EHCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000844936575 955683277 /nfs/dbraw/zinc/68/32/77/955683277.db2.gz JHHGJGVLRVCBKM-KRWDZBQOSA-N 0 1 332.469 3.680 20 10 EHCDMN Cc1cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC001594303176 957930233 /nfs/dbraw/zinc/93/02/33/957930233.db2.gz MDABVAXRUNNWSL-YJBOKZPZSA-N 0 1 330.472 3.528 20 10 EHCDMN CCN(CC)c1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000274965689 1015689572 /nfs/dbraw/zinc/68/95/72/1015689572.db2.gz VIRZWDSVQPOWJU-LJQANCHMSA-N 0 1 335.455 3.530 20 10 EHCDMN C[C@H]1CC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1(C)C ZINC001594423123 999578148 /nfs/dbraw/zinc/57/81/48/999578148.db2.gz MEUAPLLJFFDBSU-LBPRGKRZSA-N 0 1 332.419 3.884 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000328461131 1017924994 /nfs/dbraw/zinc/92/49/94/1017924994.db2.gz USYJHZYHFGULNZ-JSGCOSHPSA-N 0 1 328.250 3.763 20 10 EHCDMN CC[C@](C)(NCc1ccc(OC)c(OC)c1O)c1nc(C)cs1 ZINC000892964760 1017997641 /nfs/dbraw/zinc/99/76/41/1017997641.db2.gz AIZCLNBZKBGGKD-KRWDZBQOSA-N 0 1 336.457 3.589 20 10 EHCDMN COc1cc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c(O)cc1C ZINC000160406268 1018734394 /nfs/dbraw/zinc/73/43/94/1018734394.db2.gz JDAUUORGPPDJIS-ACJLOTCBSA-N 0 1 333.453 3.733 20 10 EHCDMN CN1CCN(c2ccc(CNc3ccc4ccncc4c3)cc2)CC1 ZINC001167430988 1019881121 /nfs/dbraw/zinc/88/11/21/1019881121.db2.gz AJGBTFBMZVLATA-UHFFFAOYSA-N 0 1 332.451 3.599 20 10 EHCDMN CN1CCN(c2ccc(CNc3ccccc3-c3ncco3)cc2)CC1 ZINC001167434157 1020006197 /nfs/dbraw/zinc/00/61/97/1020006197.db2.gz DSQGOMGFRBFPMS-UHFFFAOYSA-N 0 1 348.450 3.706 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000128440462 1022434824 /nfs/dbraw/zinc/43/48/24/1022434824.db2.gz XJEFHVVRCZFPPA-WDMOLILDSA-N 0 1 328.250 3.620 20 10 EHCDMN CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(Br)ccc1[O-] ZINC000156658282 1022960202 /nfs/dbraw/zinc/96/02/02/1022960202.db2.gz XLCNIIPEAAYYEO-FZMZJTMJSA-N 0 1 344.293 3.993 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895582759 1024644279 /nfs/dbraw/zinc/64/42/79/1024644279.db2.gz LUBRGFBSCFTJHT-SNVBAGLBSA-N 0 1 339.258 3.601 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895582759 1024644286 /nfs/dbraw/zinc/64/42/86/1024644286.db2.gz LUBRGFBSCFTJHT-SNVBAGLBSA-N 0 1 339.258 3.601 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000895155731 1025248478 /nfs/dbraw/zinc/24/84/78/1025248478.db2.gz LVNXGCOWIMRYOY-UHFFFAOYSA-N 0 1 336.766 3.897 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000896424084 1025436397 /nfs/dbraw/zinc/43/63/97/1025436397.db2.gz XRLSLCHEESLEOA-BBRMVZONSA-N 0 1 325.742 3.746 20 10 EHCDMN CCCN(Cc1nc(-c2ccsc2)no1)Cc1ccccc1O ZINC000109327311 1025705199 /nfs/dbraw/zinc/70/51/99/1025705199.db2.gz UMQMADGEFMYBQL-UHFFFAOYSA-N 0 1 329.425 3.916 20 10 EHCDMN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000897045586 1026264495 /nfs/dbraw/zinc/26/44/95/1026264495.db2.gz SVAJHDJOFWOHLO-GOEBONIOSA-N 0 1 337.423 3.917 20 10 EHCDMN COCC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])c1ccco1 ZINC000273288215 1027356998 /nfs/dbraw/zinc/35/69/98/1027356998.db2.gz PCGIBPYBCSSMPX-OAHLLOKOSA-N 0 1 337.803 3.709 20 10 EHCDMN CC[C@@H](N[C@H](C)c1ccc(C)cc1O)c1nnc2n1CCCCC2 ZINC000273552547 1027488947 /nfs/dbraw/zinc/48/89/47/1027488947.db2.gz GEFWKRIFEDYAKN-GDBMZVCRSA-N 0 1 328.460 3.820 20 10 EHCDMN CC[C@H](N[C@H](C)c1ccc(C)cc1O)c1nnc2n1CCCCC2 ZINC000273552560 1027489449 /nfs/dbraw/zinc/48/94/49/1027489449.db2.gz GEFWKRIFEDYAKN-ZBFHGGJFSA-N 0 1 328.460 3.820 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000273586987 1027507831 /nfs/dbraw/zinc/50/78/31/1027507831.db2.gz OAUJDMFVCCWZJO-USXIJHARSA-N 0 1 340.467 3.843 20 10 EHCDMN C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000273613444 1027517885 /nfs/dbraw/zinc/51/78/85/1027517885.db2.gz WUNFQBHCBJBGFV-LBPRGKRZSA-N 0 1 326.362 3.690 20 10 EHCDMN COc1ccc(N2CCN(Cc3ccc(C)c(C)c3)CC2)cc1F ZINC001168069451 1027531762 /nfs/dbraw/zinc/53/17/62/1027531762.db2.gz WYPBBLPSJYZQLM-UHFFFAOYSA-N 0 1 328.431 3.773 20 10 EHCDMN Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185396167 1028079955 /nfs/dbraw/zinc/07/99/55/1028079955.db2.gz YIHVUIXYVASYGZ-VIFPVBQESA-N 0 1 339.233 3.653 20 10 EHCDMN COc1cccc(CN[C@@H]2COc3c2ccc(Cl)c3Cl)c1O ZINC000360020759 1030717381 /nfs/dbraw/zinc/71/73/81/1030717381.db2.gz MFJSCZRFLJOUKC-GFCCVEGCSA-N 0 1 340.206 3.931 20 10 EHCDMN CC(=O)Nc1cccc2c1CCN(Cc1cc(Cl)ccc1O)C2 ZINC000179530566 1031784355 /nfs/dbraw/zinc/78/43/55/1031784355.db2.gz GBKCJNYNKCSNFR-UHFFFAOYSA-N 0 1 330.815 3.562 20 10 EHCDMN Cc1cccc(CC[NH2+][C@H](C)c2ccc(Br)cc2[O-])n1 ZINC000280134134 1033569399 /nfs/dbraw/zinc/56/93/99/1033569399.db2.gz PFQXVZBMEPBJTP-GFCCVEGCSA-N 0 1 335.245 3.751 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCOC1CCCCC1 ZINC000227441588 1034011026 /nfs/dbraw/zinc/01/10/26/1034011026.db2.gz KWZWTCQQXAWNBS-UHFFFAOYSA-N 0 1 328.250 3.594 20 10 EHCDMN CC[C@H]([NH2+]CCN(CC)C1CC1)c1cc(Br)ccc1[O-] ZINC000229552727 1034245656 /nfs/dbraw/zinc/24/56/56/1034245656.db2.gz CSBKNPRFBKNUGU-HNNXBMFYSA-N 0 1 341.293 3.680 20 10 EHCDMN C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000228183235 1034636896 /nfs/dbraw/zinc/63/68/96/1034636896.db2.gz QNAVUQFBUXIXJC-XHDPSFHLSA-N 0 1 329.271 3.615 20 10 EHCDMN C[N@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000228183235 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0 1 336.479 3.880 20 10 EHCDMN CCOc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CCO2 ZINC000178403718 1041977820 /nfs/dbraw/zinc/97/78/20/1041977820.db2.gz DAYATUUXDKYVPX-GOSISDBHSA-N 0 1 325.408 3.634 20 10 EHCDMN CCc1cc(NCc2cc(Cl)cc(Br)c2O)nn1C ZINC000883147456 1137846308 /nfs/dbraw/zinc/84/63/08/1137846308.db2.gz VZNAQKCRSVDELB-UHFFFAOYSA-N 0 1 344.640 3.716 20 10 EHCDMN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185419211 1126889788 /nfs/dbraw/zinc/88/97/88/1126889788.db2.gz REKXFCSPVSXFCK-XOBRGWDASA-N 0 1 337.419 3.938 20 10 EHCDMN C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc2ccccc2c1[O-] ZINC000185444161 1126902985 /nfs/dbraw/zinc/90/29/85/1126902985.db2.gz ARVRUFRPEMNSQT-OAHLLOKOSA-N 0 1 340.467 3.845 20 10 EHCDMN CCc1nc2ccc(NC(=O)c3c(F)ccc(O)c3O)cc2s1 ZINC001648863027 1120057195 /nfs/dbraw/zinc/05/71/95/1120057195.db2.gz ZXRXOSDORLJLFJ-UHFFFAOYSA-N 0 1 332.356 3.661 20 10 EHCDMN CN(C)c1ccc(CNCc2c(Cl)cccc2N(C)C)cc1F ZINC001648965458 1120283780 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3.720 20 10 EHCDMN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C12CCC2 ZINC000763229839 1121915030 /nfs/dbraw/zinc/91/50/30/1121915030.db2.gz DGOVEXZWNGXODM-RTBURBONSA-N 0 1 326.440 3.720 20 10 EHCDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C12CCC2 ZINC000763229839 1121915040 /nfs/dbraw/zinc/91/50/40/1121915040.db2.gz DGOVEXZWNGXODM-RTBURBONSA-N 0 1 326.440 3.720 20 10 EHCDMN CC(C)CCOC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000917464543 1122614875 /nfs/dbraw/zinc/61/48/75/1122614875.db2.gz AAFGCZWWCXWDJD-UHFFFAOYSA-N 0 1 328.456 3.968 20 10 EHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c[nH]nc21 ZINC000918657391 1122876524 /nfs/dbraw/zinc/87/65/24/1122876524.db2.gz BJTPMYRHCZRVBR-UHFFFAOYSA-N 0 1 336.439 3.680 20 10 EHCDMN C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000179764088 1123851264 /nfs/dbraw/zinc/85/12/64/1123851264.db2.gz LXXUIHIBHHIZQY-OXQOHEQNSA-N 0 1 340.467 3.872 20 10 EHCDMN C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1O ZINC000731842833 1130851037 /nfs/dbraw/zinc/85/10/37/1130851037.db2.gz IPUMFRMDQANDGR-UHFFFAOYSA-N 0 1 325.330 3.922 20 10 EHCDMN CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000731842824 1130851477 /nfs/dbraw/zinc/85/14/77/1130851477.db2.gz HUJMCCHEHUFSMY-APWZRJJASA-N 0 1 340.467 3.870 20 10 EHCDMN CCC[C@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1O)c1ccccc1 ZINC000731842824 1130851482 /nfs/dbraw/zinc/85/14/82/1130851482.db2.gz HUJMCCHEHUFSMY-APWZRJJASA-N 0 1 340.467 3.870 20 10 EHCDMN CC[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])CC1CC1 ZINC000732662866 1130946514 /nfs/dbraw/zinc/94/65/14/1130946514.db2.gz AYQZAXSRWWGWTL-UHFFFAOYSA-N 0 1 325.408 3.561 20 10 EHCDMN COc1ccccc1[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738284896 1131465676 /nfs/dbraw/zinc/46/56/76/1131465676.db2.gz IZYIQCMPBBTVJC-MRXNPFEDSA-N 0 1 334.419 3.939 20 10 EHCDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738284896 1131465678 /nfs/dbraw/zinc/46/56/78/1131465678.db2.gz IZYIQCMPBBTVJC-MRXNPFEDSA-N 0 1 334.419 3.939 20 10 EHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCOC3(CCCCC3)C2)c1 ZINC000742165601 1131691796 /nfs/dbraw/zinc/69/17/96/1131691796.db2.gz IFEARNXELLBTGX-UHFFFAOYSA-N 0 1 333.472 3.930 20 10 EHCDMN CN(C)c1ccc(CNCc2cccc(OC(C)(C)C)n2)cc1F ZINC000767418296 1132998567 /nfs/dbraw/zinc/99/85/67/1132998567.db2.gz WPHLFZFEWFRGBO-UHFFFAOYSA-N 0 1 331.435 3.754 20 10 EHCDMN CCOC(=O)C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC1 ZINC000768531513 1133151599 /nfs/dbraw/zinc/15/15/99/1133151599.db2.gz YRUGWFCKHGONNN-UHFFFAOYSA-N 0 1 332.227 3.617 20 10 EHCDMN CCOC(=O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC1 ZINC000768531513 1133151600 /nfs/dbraw/zinc/15/16/00/1133151600.db2.gz YRUGWFCKHGONNN-UHFFFAOYSA-N 0 1 332.227 3.617 20 10 EHCDMN CN(C)c1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000768902500 1133198971 /nfs/dbraw/zinc/19/89/71/1133198971.db2.gz VASKSISEBBJJLE-UHFFFAOYSA-N 0 1 346.478 3.623 20 10 EHCDMN COc1ccc(N2CCCN(Cc3cc(F)cc(F)c3)CC2)cc1 ZINC000768998987 1133219095 /nfs/dbraw/zinc/21/90/95/1133219095.db2.gz RONHTOQZXNECKA-UHFFFAOYSA-N 0 1 332.394 3.686 20 10 EHCDMN CCN(C)c1ccc(CN[C@H](COC)c2ccc(F)c(F)c2)cc1 ZINC000773813516 1133244506 /nfs/dbraw/zinc/24/45/06/1133244506.db2.gz ULINBSTUWKXLFG-LJQANCHMSA-N 0 1 334.410 3.898 20 10 EHCDMN Cc1ccc(O)c(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000769332158 1133265017 /nfs/dbraw/zinc/26/50/17/1133265017.db2.gz JYSCBQPZMQZKGS-GOSISDBHSA-N 0 1 349.377 3.876 20 10 EHCDMN CCN(CC)c1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1F ZINC000769380572 1133273082 /nfs/dbraw/zinc/27/30/82/1133273082.db2.gz GQHHKMMCHVWSEO-HZPDHXFCSA-N 0 1 348.384 3.560 20 10 EHCDMN C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000769426101 1133282721 /nfs/dbraw/zinc/28/27/21/1133282721.db2.gz SFOBZGPVYXRJOA-MRXNPFEDSA-N 0 1 340.442 3.782 20 10 EHCDMN CCN(C)c1ccc(CN[C@H](c2nnc3ccccn32)C(C)C)cc1 ZINC000773830241 1133285128 /nfs/dbraw/zinc/28/51/28/1133285128.db2.gz FKKSJPOKYJEJDL-IBGZPJMESA-N 0 1 337.471 3.672 20 10 EHCDMN CCN(CC)c1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)cc1F ZINC000769538739 1133311709 /nfs/dbraw/zinc/31/17/09/1133311709.db2.gz VXISRCGBHHEJKL-GOSISDBHSA-N 0 1 344.478 3.915 20 10 EHCDMN CCN(C)c1ccc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)cc1 ZINC000773843382 1133346328 /nfs/dbraw/zinc/34/63/28/1133346328.db2.gz AXUHSTMTVXMXMI-KRWDZBQOSA-N 0 1 344.421 3.668 20 10 EHCDMN C[C@](O)(C[NH2+]Cc1ccc(Cl)cc1[O-])c1cccc(Cl)c1 ZINC001180585883 1133395633 /nfs/dbraw/zinc/39/56/33/1133395633.db2.gz PGWVCDJMWCBEOY-INIZCTEOSA-N 0 1 326.223 3.696 20 10 EHCDMN CCN(C)c1ccc(CN2CCC[C@](OC)(C(F)(F)F)C2)cc1 ZINC000773889517 1133438962 /nfs/dbraw/zinc/43/89/62/1133438962.db2.gz WLVGTTZQSWNZEO-MRXNPFEDSA-N 0 1 330.394 3.686 20 10 EHCDMN COC(=O)[C@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C1CCCCC1 ZINC001183742156 1133852117 /nfs/dbraw/zinc/85/21/17/1133852117.db2.gz YCNLFNVZZKXIAW-OAHLLOKOSA-N 0 1 325.836 3.505 20 10 EHCDMN Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@@H](C)c3ccc(C)cc3O)n2)c1 ZINC000787010977 1133934959 /nfs/dbraw/zinc/93/49/59/1133934959.db2.gz GWVBPDBIMBFXFN-UONOGXRCSA-N 0 1 337.427 3.601 20 10 EHCDMN COC(=O)[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])[C@@H]1C ZINC000787239738 1133983118 /nfs/dbraw/zinc/98/31/18/1133983118.db2.gz CBDSZXKJQUAFKT-OCCSQVGLSA-N 0 1 339.391 3.675 20 10 EHCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])[C@@H]1C ZINC000787239738 1133983123 /nfs/dbraw/zinc/98/31/23/1133983123.db2.gz CBDSZXKJQUAFKT-OCCSQVGLSA-N 0 1 339.391 3.675 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCC[C@]3(CC=CCC3)C2)ccc1[N+](=O)[O-] ZINC000774884265 1134091793 /nfs/dbraw/zinc/09/17/93/1134091793.db2.gz JMBWFJJOLKBGBI-GOSISDBHSA-N 0 1 332.400 3.631 20 10 EHCDMN COc1c([O-])c(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774884314 1134092539 /nfs/dbraw/zinc/09/25/39/1134092539.db2.gz KJVCCHPSFONVGR-BBRMVZONSA-N 0 1 342.395 3.687 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C(F)(F)F)c1[O-] ZINC000788671664 1134159850 /nfs/dbraw/zinc/15/98/50/1134159850.db2.gz YMANOSJMYKIDBI-TVQRCGJNSA-N 0 1 325.334 3.862 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@H](c3cccc(C)c3)C2)ccc1[N+](=O)[O-] ZINC000775061104 1134274943 /nfs/dbraw/zinc/27/49/43/1134274943.db2.gz RWNKLABSFYBXKP-HNNXBMFYSA-N 0 1 342.395 3.607 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC000775061095 1134274991 /nfs/dbraw/zinc/27/49/91/1134274991.db2.gz RUCWWWGGUVAFAQ-OAHLLOKOSA-N 0 1 342.395 3.607 20 10 EHCDMN O=C([O-])C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccs1 ZINC000789897930 1134347223 /nfs/dbraw/zinc/34/72/23/1134347223.db2.gz PRYBQJGZXIYGLH-SNVBAGLBSA-N 0 1 329.780 3.552 20 10 EHCDMN O=C(Nc1cccc(Oc2ccccn2)c1)c1c(F)ccc(O)c1O ZINC000789986735 1134355609 /nfs/dbraw/zinc/35/56/09/1134355609.db2.gz NTPJIJWNWHSGIP-UHFFFAOYSA-N 0 1 340.310 3.677 20 10 EHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000790409007 1134411991 /nfs/dbraw/zinc/41/19/91/1134411991.db2.gz KFVTYVNZJZUDCH-UHFFFAOYSA-N 0 1 341.816 3.554 20 10 EHCDMN Oc1ccc2ccccc2c1CN1CCO[C@H](COc2ccccc2)C1 ZINC000790467310 1134427063 /nfs/dbraw/zinc/42/70/63/1134427063.db2.gz OARFJWFKASOBCY-IBGZPJMESA-N 0 1 349.430 3.825 20 10 EHCDMN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)COc1ccccc1 ZINC000775201609 1134511182 /nfs/dbraw/zinc/51/11/82/1134511182.db2.gz WBNXLJACONWATP-INIZCTEOSA-N 0 1 349.858 3.696 20 10 EHCDMN COCOc1ccc(OC)cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775361692 1134666243 /nfs/dbraw/zinc/66/62/43/1134666243.db2.gz DMMKNJIHCVGQLP-OAHLLOKOSA-N 0 1 344.455 3.595 20 10 EHCDMN CCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(O)c2O)cc1 ZINC001190445021 1134694999 /nfs/dbraw/zinc/69/49/99/1134694999.db2.gz MHDMZYUDQPKAFT-UHFFFAOYSA-N 0 1 335.425 3.586 20 10 EHCDMN CCO[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792761405 1134786737 /nfs/dbraw/zinc/78/67/37/1134786737.db2.gz MKECWNVVHCUEGY-OAHLLOKOSA-N 0 1 330.394 3.772 20 10 EHCDMN CC[C@@H](NCc1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000775485020 1134917886 /nfs/dbraw/zinc/91/78/86/1134917886.db2.gz MSCDWIMKVUPZIA-CQSZACIVSA-N 0 1 334.851 3.604 20 10 EHCDMN CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775493248 1134945735 /nfs/dbraw/zinc/94/57/35/1134945735.db2.gz WEFYGALQWPUYMS-CQSZACIVSA-N 0 1 349.302 3.708 20 10 EHCDMN CC[C@@H]([NH2+]CCCN(C)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775493248 1134945741 /nfs/dbraw/zinc/94/57/41/1134945741.db2.gz WEFYGALQWPUYMS-CQSZACIVSA-N 0 1 349.302 3.708 20 10 EHCDMN CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(Cl)ccc1[O-] ZINC000775504203 1134973484 /nfs/dbraw/zinc/97/34/84/1134973484.db2.gz VPHDUHHUXFWITE-OAHLLOKOSA-N 0 1 338.879 3.735 20 10 EHCDMN COc1ccc([C@H](C)N(C)C(=O)c2cc(O)c(O)c(Cl)c2)cc1 ZINC001193613007 1135158354 /nfs/dbraw/zinc/15/83/54/1135158354.db2.gz WTZKKRJHJCBWLN-JTQLQIEISA-N 0 1 335.787 3.593 20 10 EHCDMN CC1(C)CN(C(=O)c2cc(O)c(O)c(Cl)c2)Cc2ccccc21 ZINC001193612988 1135158456 /nfs/dbraw/zinc/15/84/56/1135158456.db2.gz WKNHGFPHKBGANB-UHFFFAOYSA-N 0 1 331.799 3.685 20 10 EHCDMN CC(C)OCc1cccc(NC(=O)c2cc(O)c(O)c(Cl)c2)c1 ZINC001193626170 1135161561 /nfs/dbraw/zinc/16/15/61/1135161561.db2.gz WOTSPILQWCBZJH-UHFFFAOYSA-N 0 1 335.787 3.929 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCC(F)(F)C1 ZINC000805213427 1135250120 /nfs/dbraw/zinc/25/01/20/1135250120.db2.gz DFDNIIAPYUFZMH-SECBINFHSA-N 0 1 339.169 3.686 20 10 EHCDMN COc1ccccc1OCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775655076 1135420551 /nfs/dbraw/zinc/42/05/51/1135420551.db2.gz UNXPNVPERZZCBN-UHFFFAOYSA-N 0 1 339.794 3.704 20 10 EHCDMN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775723062 1135573802 /nfs/dbraw/zinc/57/38/02/1135573802.db2.gz CBXPYGATUCEJLD-INIZCTEOSA-N 0 1 337.822 3.958 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])cc1 ZINC000807838957 1135575308 /nfs/dbraw/zinc/57/53/08/1135575308.db2.gz UIJGVLOXMUXDGE-UHFFFAOYSA-N 0 1 341.150 3.537 20 10 EHCDMN Cc1noc(C)c1[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840395 1135576074 /nfs/dbraw/zinc/57/60/74/1135576074.db2.gz BOZMCJWGWAWBKK-SSDOTTSWSA-N 0 1 343.210 3.724 20 10 EHCDMN O=S(=O)(Nc1ccc(O)cc1)c1ccccc1Oc1ccccc1 ZINC001198432189 1135813792 /nfs/dbraw/zinc/81/37/92/1135813792.db2.gz BIAXLKWAQCLMKZ-UHFFFAOYSA-N 0 1 341.388 3.985 20 10 EHCDMN CCn1c(CN[C@H](C)c2cc(OC)ccc2O)nc2ccccc21 ZINC000809638952 1135864228 /nfs/dbraw/zinc/86/42/28/1135864228.db2.gz GNZONGYVEYTDHV-CYBMUJFWSA-N 0 1 325.412 3.621 20 10 EHCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC(F)(F)CC1 ZINC000809782577 1135891118 /nfs/dbraw/zinc/89/11/18/1135891118.db2.gz ZFPYMEHAYZUSLI-UHFFFAOYSA-N 0 1 334.750 3.964 20 10 EHCDMN COc1ccccc1N(CCO)Cc1cc(Cl)cc(Cl)c1O ZINC000809792838 1135893276 /nfs/dbraw/zinc/89/32/76/1135893276.db2.gz JAJULNSDCCADKZ-UHFFFAOYSA-N 0 1 342.222 3.707 20 10 EHCDMN CCNC(=O)C(C)(C)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810232208 1135942080 /nfs/dbraw/zinc/94/20/80/1135942080.db2.gz BIYJTCDMQRZCHL-ZDUSSCGKSA-N 0 1 346.393 3.614 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccc(OC)nc1OC)c1cc(Cl)ccc1[O-] ZINC000810260423 1135944619 /nfs/dbraw/zinc/94/46/19/1135944619.db2.gz KOUXEEHHJDUZEJ-AWEZNQCLSA-N 0 1 336.819 3.699 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001201379495 1136014202 /nfs/dbraw/zinc/01/42/02/1136014202.db2.gz FSXNMCKIRMWVJF-HBUWYVDXSA-N 0 1 344.252 3.830 20 10 EHCDMN CN1CCN(c2ccc(CNc3ccc4ncsc4c3)cc2)CC1 ZINC001201749874 1136058447 /nfs/dbraw/zinc/05/84/47/1136058447.db2.gz BRYOOINCFZBCFY-UHFFFAOYSA-N 0 1 338.480 3.660 20 10 EHCDMN CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])C1CC1 ZINC000812734826 1136239296 /nfs/dbraw/zinc/23/92/96/1136239296.db2.gz RRLBRROZELQDRT-BONVTDFDSA-N 0 1 328.250 3.620 20 10 EHCDMN COc1cccc(CN[C@@H](CO)c2cccc(Cl)c2Cl)c1O ZINC000850402597 1136250035 /nfs/dbraw/zinc/25/00/35/1136250035.db2.gz PJMWYIDAKVCCHY-ZDUSSCGKSA-N 0 1 342.222 3.531 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850484638 1136268263 /nfs/dbraw/zinc/26/82/63/1136268263.db2.gz NJVONWRANMNRPX-HZUKXOBISA-N 0 1 347.377 3.503 20 10 EHCDMN CC[C@H]([NH2+]CC[C@H](COC)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000850486406 1136268526 /nfs/dbraw/zinc/26/85/26/1136268526.db2.gz SYCNCGWBZLAPHN-OCCSQVGLSA-N 0 1 335.366 3.503 20 10 EHCDMN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000850501192 1136272508 /nfs/dbraw/zinc/27/25/08/1136272508.db2.gz KNGRXYUJAPFYHK-REGYPHIPSA-N 0 1 343.467 3.762 20 10 EHCDMN C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc(Cl)ccc1[O-] ZINC000850501682 1136272527 /nfs/dbraw/zinc/27/25/27/1136272527.db2.gz PKCKYVYRTKQPFS-ZDUSSCGKSA-N 0 1 331.847 3.892 20 10 EHCDMN C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(Br)cc1[O-] ZINC000850528922 1136279067 /nfs/dbraw/zinc/27/90/67/1136279067.db2.gz OELRUESLWWACOL-UDTVLSCZSA-N 0 1 348.240 3.984 20 10 EHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1F ZINC000850565096 1136287033 /nfs/dbraw/zinc/28/70/33/1136287033.db2.gz ACFJPCBUSPSQAF-AWEZNQCLSA-N 0 1 346.421 3.777 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(Br)cc1[O-] ZINC000850572004 1136289221 /nfs/dbraw/zinc/28/92/21/1136289221.db2.gz XTSKVEXLLVJBMS-GHMZBOCLSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000850581159 1136292761 /nfs/dbraw/zinc/29/27/61/1136292761.db2.gz UUYXWHFSDARSOF-GLEZIHRCSA-N 0 1 345.748 3.847 20 10 EHCDMN Cc1ncc(/C=C/C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000813684865 1136356680 /nfs/dbraw/zinc/35/66/80/1136356680.db2.gz YHEJHHVLSGZDML-NSCUHMNNSA-N 0 1 343.235 3.794 20 10 EHCDMN C[C@H](C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-])CN(C)C ZINC000813877437 1136371561 /nfs/dbraw/zinc/37/15/61/1136371561.db2.gz WCLPAWWYYYDTOX-NXEZZACHSA-N 0 1 349.700 3.656 20 10 EHCDMN COc1cc(Br)cc(CN(C)Cc2occc2C)c1O ZINC000814174277 1136410534 /nfs/dbraw/zinc/41/05/34/1136410534.db2.gz BQTJMYBHMYYBNU-UHFFFAOYSA-N 0 1 340.217 3.697 20 10 EHCDMN NC(=O)Nc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1F ZINC000814300781 1136437865 /nfs/dbraw/zinc/43/78/65/1136437865.db2.gz QRDNNMAGQZIHAF-UHFFFAOYSA-N 0 1 344.173 3.941 20 10 EHCDMN Oc1ccc2ccccc2c1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000853611866 1136549613 /nfs/dbraw/zinc/54/96/13/1136549613.db2.gz YTVHOXXNBFGHCJ-ZDUSSCGKSA-N 0 1 325.330 3.699 20 10 EHCDMN CO[C@]1(C(F)(F)F)CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815099208 1136556309 /nfs/dbraw/zinc/55/63/09/1136556309.db2.gz RWQWTOGUNRCBNU-MRXNPFEDSA-N 0 1 330.394 3.604 20 10 EHCDMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])n[nH]1 ZINC000815597050 1136616906 /nfs/dbraw/zinc/61/69/06/1136616906.db2.gz LJFLUYZPNSMSDG-KOLCDFICSA-N 0 1 327.350 3.724 20 10 EHCDMN COC1(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCC1 ZINC000815642216 1136625157 /nfs/dbraw/zinc/62/51/57/1136625157.db2.gz VWWDLQNUKSPVKL-NSHDSACASA-N 0 1 328.250 3.765 20 10 EHCDMN CCOC(=O)CC[N@@H+](Cc1ccc2ccccc2c1[O-])CC1CC1 ZINC000816497158 1136725484 /nfs/dbraw/zinc/72/54/84/1136725484.db2.gz OOBFLUWQTWIFAK-UHFFFAOYSA-N 0 1 327.424 3.711 20 10 EHCDMN CCOC(=O)CC[N@H+](Cc1ccc2ccccc2c1[O-])CC1CC1 ZINC000816497158 1136725485 /nfs/dbraw/zinc/72/54/85/1136725485.db2.gz 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COc1cc(CN[C@@H](C)c2nccnc2C)c(O)c(C(C)(C)C)c1 ZINC000873186030 1137593116 /nfs/dbraw/zinc/59/31/16/1137593116.db2.gz CEKINJLFIZYDAN-ZDUSSCGKSA-N 0 1 329.444 3.648 20 10 EHCDMN Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1Cl ZINC000825752450 1137624923 /nfs/dbraw/zinc/62/49/23/1137624923.db2.gz AWLOQQVQACJIEM-GLJUWKHASA-N 0 1 339.863 3.512 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C2CCN(c3nccs3)CC2)cc1Cl ZINC000825768291 1137629335 /nfs/dbraw/zinc/62/93/35/1137629335.db2.gz GTAKBOSRIMAWLG-UHFFFAOYSA-N 0 1 337.876 3.569 20 10 EHCDMN C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876795609 1137661552 /nfs/dbraw/zinc/66/15/52/1137661552.db2.gz RYJASQQTMVSNEU-RULNZOCKSA-N 0 1 339.407 3.601 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CCC(c3ccc(F)cn3)CC2)c1O ZINC000879004017 1137735019 /nfs/dbraw/zinc/73/50/19/1137735019.db2.gz DIDWGHNFXBRTBU-UHFFFAOYSA-N 0 1 346.377 3.648 20 10 EHCDMN Cc1cc([O-])c(C[NH+]2CCC(OCCOC(C)C)CC2)cc1Cl ZINC000826099700 1137740999 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[O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000826534449 1138195436 /nfs/dbraw/zinc/19/54/36/1138195436.db2.gz GLGKTBKDRVZWTI-OAHLLOKOSA-N 0 1 340.261 3.688 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000826534449 1138195437 /nfs/dbraw/zinc/19/54/37/1138195437.db2.gz GLGKTBKDRVZWTI-OAHLLOKOSA-N 0 1 340.261 3.688 20 10 EHCDMN C[C@@H](NCc1cccc(N(C)C)n1)c1ccc(N2CCCCC2)cc1 ZINC000090851660 1138213785 /nfs/dbraw/zinc/21/37/85/1138213785.db2.gz XJCCVNBUAUVHBC-QGZVFWFLSA-N 0 1 338.499 3.989 20 10 EHCDMN CCOc1cccc(CN(Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000092436664 1138228039 /nfs/dbraw/zinc/22/80/39/1138228039.db2.gz AAJLWANVVJOEQT-QGZVFWFLSA-N 0 1 331.412 3.565 20 10 EHCDMN COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000151057790 1139005326 /nfs/dbraw/zinc/00/53/26/1139005326.db2.gz MARYOBWLEXKEML-OAHLLOKOSA-N 0 1 344.430 3.522 20 10 EHCDMN CSCC[C@@H](N[C@H](C)c1ccccc1O)c1nnc2ccccn21 ZINC000183392228 1140034644 /nfs/dbraw/zinc/03/46/44/1140034644.db2.gz 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C[C@@H]([NH2+]Cc1c([O-])cccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000896639547 1025792548 /nfs/dbraw/zinc/79/25/48/1025792548.db2.gz VXELNWKVHBKSGK-WBVHZDCISA-N 0 1 328.431 3.532 20 10 EHCDMN CCN1CCN(c2ccc(CNc3ccncc3Cl)cc2F)CC1 ZINC000301508730 1026832317 /nfs/dbraw/zinc/83/23/17/1026832317.db2.gz JWGRULOHHBRKMK-UHFFFAOYSA-N 0 1 348.853 3.628 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1[O-] ZINC000273500886 1027462516 /nfs/dbraw/zinc/46/25/16/1027462516.db2.gz QAUAMLNXUOMISZ-DGCLKSJQSA-N 0 1 340.261 3.907 20 10 EHCDMN CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1c([O-])cccc1Cl ZINC000897522080 1028216500 /nfs/dbraw/zinc/21/65/00/1028216500.db2.gz KZFQAJVFQWKSBM-CYBMUJFWSA-N 0 1 325.758 3.619 20 10 EHCDMN Cc1cccc(CNCc2nn(-c3ccccc3)c3c2CCC3)c1O ZINC000272145596 1029330367 /nfs/dbraw/zinc/33/03/67/1029330367.db2.gz ZCWNSUBSAKJRQF-UHFFFAOYSA-N 0 1 333.435 3.665 20 10 EHCDMN CC[N@H+](Cc1ccnc(C)c1)Cc1cc(Br)ccc1[O-] ZINC000527533567 1030954696 /nfs/dbraw/zinc/95/46/96/1030954696.db2.gz IEFUMEMFUHEVMU-UHFFFAOYSA-N 0 1 335.245 3.880 20 10 EHCDMN CC[N@@H+](Cc1ccnc(C)c1)Cc1cc(Br)ccc1[O-] ZINC000527533567 1030954708 /nfs/dbraw/zinc/95/47/08/1030954708.db2.gz IEFUMEMFUHEVMU-UHFFFAOYSA-N 0 1 335.245 3.880 20 10 EHCDMN C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(Br)cc1[O-] ZINC000528000602 1031563844 /nfs/dbraw/zinc/56/38/44/1031563844.db2.gz GZEXDZYVDNVNJG-AOVQSLKQSA-N 0 1 328.250 3.617 20 10 EHCDMN COc1cc(Cl)cc(C[N@@H+](C)CCOc2ccccc2F)c1O ZINC000761184118 1034299061 /nfs/dbraw/zinc/29/90/61/1034299061.db2.gz QGVRGNOUSQGJMB-UHFFFAOYSA-N 0 1 339.794 3.704 20 10 EHCDMN CCOc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(F)cc1OC ZINC000529616601 1034302585 /nfs/dbraw/zinc/30/25/85/1034302585.db2.gz IZBOHLMHSOEGEN-UHFFFAOYSA-N 0 1 339.794 3.882 20 10 EHCDMN COc1cc(C)cc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1O ZINC000164406149 1035604938 /nfs/dbraw/zinc/60/49/38/1035604938.db2.gz AZAVICOERHATRN-KUHUBIRLSA-N 0 1 345.414 3.810 20 10 EHCDMN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])[C@@]12CCCO2 ZINC000760880339 1037550284 /nfs/dbraw/zinc/55/02/84/1037550284.db2.gz HQMRFXGFVDFHPH-WBHLOVLFSA-N 0 1 341.451 3.923 20 10 EHCDMN C[N@H+](Cc1ccccc1O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167733774 1038367895 /nfs/dbraw/zinc/36/78/95/1038367895.db2.gz CZXMUYDPJSAIRU-GOEBONIOSA-N 0 1 334.460 3.517 20 10 EHCDMN CC[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])N1CCCC1 ZINC000756399688 1038521747 /nfs/dbraw/zinc/52/17/47/1038521747.db2.gz FGPDIYRXSGYWOX-TZMCWYRMSA-N 0 1 341.293 3.680 20 10 EHCDMN CSc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000893879039 1039784947 /nfs/dbraw/zinc/78/49/47/1039784947.db2.gz CGIRUBCVEYJQIA-OAHLLOKOSA-N 0 1 333.453 3.888 20 10 EHCDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(N(C)C)cc1 ZINC000178729513 1040773885 /nfs/dbraw/zinc/77/38/85/1040773885.db2.gz FMZBRALKKAGTDL-GOSISDBHSA-N 0 1 343.427 3.910 20 10 EHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCC=CO1 ZINC000194052436 1041201405 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Cc1n[nH]c(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1C ZINC000734427703 1131233438 /nfs/dbraw/zinc/23/34/38/1131233438.db2.gz VXPSYRLFURFFQG-UHFFFAOYSA-N 0 1 340.471 3.725 20 10 EHCDMN C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308908071 1126168800 /nfs/dbraw/zinc/16/88/00/1126168800.db2.gz VSIFBZLFUXICEL-QGZVFWFLSA-N 0 1 340.250 3.782 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c(Cl)c1 ZINC001658073376 1126261758 /nfs/dbraw/zinc/26/17/58/1126261758.db2.gz XKDMOCZSAPCERZ-INIZCTEOSA-N 0 1 333.859 3.664 20 10 EHCDMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccoc1 ZINC000765124271 1127578300 /nfs/dbraw/zinc/57/83/00/1127578300.db2.gz AEMFTRGUEACLIN-RBSFLKMASA-N 0 1 332.419 3.883 20 10 EHCDMN Cc1cc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)oc1C ZINC000282198937 1128062856 /nfs/dbraw/zinc/06/28/56/1128062856.db2.gz NUMFRPOYKWBUHZ-AWEZNQCLSA-N 0 1 332.419 3.723 20 10 EHCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C12CCC2 ZINC000763229835 1121914708 /nfs/dbraw/zinc/91/47/08/1121914708.db2.gz DGOVEXZWNGXODM-MOPGFXCFSA-N 0 1 326.440 3.720 20 10 EHCDMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C12CCC2 ZINC000763229835 1121914714 /nfs/dbraw/zinc/91/47/14/1121914714.db2.gz DGOVEXZWNGXODM-MOPGFXCFSA-N 0 1 326.440 3.720 20 10 EHCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C12CCC2 ZINC000763229835 1121914721 /nfs/dbraw/zinc/91/47/21/1121914721.db2.gz DGOVEXZWNGXODM-MOPGFXCFSA-N 0 1 326.440 3.720 20 10 EHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000763332939 1121962248 /nfs/dbraw/zinc/96/22/48/1121962248.db2.gz QFLWDUVKUUKWJI-INIZCTEOSA-N 0 1 337.419 3.561 20 10 EHCDMN CN(Cc1nnc[nH]1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000179798381 1123861247 /nfs/dbraw/zinc/86/12/47/1123861247.db2.gz BCHKLNGKJQUUQB-UHFFFAOYSA-N 0 1 330.476 3.737 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2nc3ccccc3n2C(F)F)c1 ZINC000182319592 1125252800 /nfs/dbraw/zinc/25/28/00/1125252800.db2.gz QUJWXWNRPDMWPI-LLVKDONJSA-N 0 1 347.365 3.996 20 10 EHCDMN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000700641865 1130053472 /nfs/dbraw/zinc/05/34/72/1130053472.db2.gz SIEDOIINHYBFPI-PBHICJAKSA-N 0 1 346.421 3.671 20 10 EHCDMN CC(C)(NC(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC001119388263 1130649785 /nfs/dbraw/zinc/64/97/85/1130649785.db2.gz ABAKHTNWQWZKGW-UHFFFAOYSA-N 0 1 345.148 3.839 20 10 EHCDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000732190068 1130891626 /nfs/dbraw/zinc/89/16/26/1130891626.db2.gz WIXRJCGVSOXXFV-OAHLLOKOSA-N 0 1 340.467 3.686 20 10 EHCDMN C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000732190068 1130891632 /nfs/dbraw/zinc/89/16/32/1130891632.db2.gz WIXRJCGVSOXXFV-OAHLLOKOSA-N 0 1 340.467 3.686 20 10 EHCDMN CN(c1ccc(CNC(=O)[C@@H]2CCCCN2C)cc1)C1CCCCC1 ZINC000732279682 1130906101 /nfs/dbraw/zinc/90/61/01/1130906101.db2.gz NBTPIGKRKXSHJN-FQEVSTJZSA-N 0 1 343.515 3.556 20 10 EHCDMN Cc1cc(CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)n[nH]1 ZINC000733287456 1131018104 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COCC[C@H]1CCCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000768540470 1133153328 /nfs/dbraw/zinc/15/33/28/1133153328.db2.gz HWZCCZWDSMGTJI-CYBMUJFWSA-N 0 1 342.277 3.793 20 10 EHCDMN COCC[C@H]1CCCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000768540470 1133153330 /nfs/dbraw/zinc/15/33/30/1133153330.db2.gz HWZCCZWDSMGTJI-CYBMUJFWSA-N 0 1 342.277 3.793 20 10 EHCDMN CCN(C)c1ccc(CN2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000773751928 1133181034 /nfs/dbraw/zinc/18/10/34/1133181034.db2.gz HGPDHHVKGCHYHB-MRXNPFEDSA-N 0 1 330.394 3.686 20 10 EHCDMN Cc1cc(Br)c(O)c(CNc2ccc3c(n2)CCC3)c1 ZINC001178742328 1133194868 /nfs/dbraw/zinc/19/48/68/1133194868.db2.gz RBRGVTWGDQOUDE-UHFFFAOYSA-N 0 1 333.229 3.959 20 10 EHCDMN Cc1cc(CNCc2cc(C(N)=O)cs2)c(C)n1-c1ccccc1 ZINC001203357599 1133205566 /nfs/dbraw/zinc/20/55/66/1133205566.db2.gz LSWJDNAGVDXDAK-UHFFFAOYSA-N 0 1 339.464 3.544 20 10 EHCDMN O=C(/C=C/c1ccc(O)c(O)c1)Nc1c(Cl)ccc(O)c1Cl ZINC001179687795 1133270717 /nfs/dbraw/zinc/27/07/17/1133270717.db2.gz ZLENAYVIFHAECX-QHHAFSJGSA-N 0 1 340.162 3.762 20 10 EHCDMN CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001180112165 1133333357 /nfs/dbraw/zinc/33/33/57/1133333357.db2.gz IEEGQLIRCUVAFK-GFCCVEGCSA-N 0 1 341.398 3.614 20 10 EHCDMN Cc1cccc(CN2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)c1 ZINC001180413398 1133372465 /nfs/dbraw/zinc/37/24/65/1133372465.db2.gz ULXWKXVYRKOWSY-VMPITWQZSA-N 0 1 349.522 3.892 20 10 EHCDMN COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622124 1133507007 /nfs/dbraw/zinc/50/70/07/1133507007.db2.gz PNFJKCKPPNXADK-AWEZNQCLSA-N 0 1 349.377 3.722 20 10 EHCDMN CC[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])NC(=O)OC(C)(C)C ZINC001181901408 1133549157 /nfs/dbraw/zinc/54/91/57/1133549157.db2.gz SVLZOFMLCKMVDW-ZDUSSCGKSA-N 0 1 342.867 3.747 20 10 EHCDMN [O-]c1c(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)ccc(F)c1F ZINC001182126348 1133574756 /nfs/dbraw/zinc/57/47/56/1133574756.db2.gz HPALHPRNWQSIJR-LJQANCHMSA-N 0 1 331.362 3.640 20 10 EHCDMN COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000771877627 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C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1ccccc1O ZINC000775203112 1134516680 /nfs/dbraw/zinc/51/66/80/1134516680.db2.gz JVZDKTXSWQUZPS-MRXNPFEDSA-N 0 1 333.435 3.651 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000775206477 1134521275 /nfs/dbraw/zinc/52/12/75/1134521275.db2.gz PIQWJDYISATWNK-UHFFFAOYSA-N 0 1 336.794 3.623 20 10 EHCDMN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H]1OCCc2ccccc21 ZINC000792167381 1134661104 /nfs/dbraw/zinc/66/11/04/1134661104.db2.gz RGRXSVCDFCHTHV-QGZVFWFLSA-N 0 1 335.806 3.931 20 10 EHCDMN Cc1nc2sccn2c1CN(C)Cc1c(O)ccc(Cl)c1F ZINC000792164487 1134661829 /nfs/dbraw/zinc/66/18/29/1134661829.db2.gz IYFWTCVWLLEZBK-UHFFFAOYSA-N 0 1 339.823 3.834 20 10 EHCDMN COc1cc2c(c(CN[C@@H](C)c3ccc(N(C)C)cc3)c1)O[C@H](C)C2 ZINC000775365094 1134667039 /nfs/dbraw/zinc/66/70/39/1134667039.db2.gz SMMMYDGABIPOMH-CABCVRRESA-N 0 1 340.467 3.935 20 10 EHCDMN COC[C@H](NCc1ccc(N(C)C)cc1C)c1ccc(F)c(F)c1 ZINC000775392099 1134714667 /nfs/dbraw/zinc/71/46/67/1134714667.db2.gz 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Cc1cc([O-])c(C[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)cc1Cl ZINC000825354093 1137174641 /nfs/dbraw/zinc/17/46/41/1137174641.db2.gz RQCHOQXIZBADDK-HOCLYGCPSA-N 0 1 333.859 3.998 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1Cl ZINC000825399854 1137176851 /nfs/dbraw/zinc/17/68/51/1137176851.db2.gz DEFQWLOFCKNWQC-VHDGCEQUSA-N 0 1 329.918 3.823 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000844440770 1137224083 /nfs/dbraw/zinc/22/40/83/1137224083.db2.gz UAGNEOOASWLSMM-OAHLLOKOSA-N 0 1 329.774 3.869 20 10 EHCDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844440770 1137224084 /nfs/dbraw/zinc/22/40/84/1137224084.db2.gz UAGNEOOASWLSMM-OAHLLOKOSA-N 0 1 329.774 3.869 20 10 EHCDMN COc1ccc(CN(C)Cc2ccccc2O)c(OC(F)(F)F)c1 ZINC001144055576 1137235486 /nfs/dbraw/zinc/23/54/86/1137235486.db2.gz GDSSTAGTYXFOBV-UHFFFAOYSA-N 0 1 341.329 3.931 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(F)c1F ZINC000121942527 1137391162 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CCCOc1ccc(CNCc2cnn(CC(F)(F)F)c2)cc1C ZINC000873080423 1137589559 /nfs/dbraw/zinc/58/95/59/1137589559.db2.gz ONVXSZXQZLGMCN-UHFFFAOYSA-N 0 1 341.377 3.832 20 10 EHCDMN CCN(Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(N(C)C)cc1 ZINC000876521985 1137654511 /nfs/dbraw/zinc/65/45/11/1137654511.db2.gz DAFQEHLRJCGHAZ-UHFFFAOYSA-N 0 1 325.412 3.622 20 10 EHCDMN CCN(CC(=O)Nc1c(C)cccc1C)Cc1c(C)cccc1O ZINC000876767831 1137660826 /nfs/dbraw/zinc/66/08/26/1137660826.db2.gz CWTWFYQLCYBZQK-UHFFFAOYSA-N 0 1 326.440 3.778 20 10 EHCDMN Oc1c(CNc2ccc(N3CCSCC3)cc2)ccc(F)c1F ZINC000876864554 1137664043 /nfs/dbraw/zinc/66/40/43/1137664043.db2.gz UFURQLFLNPPRQH-UHFFFAOYSA-N 0 1 336.407 3.836 20 10 EHCDMN Cc1cccc(O)c1CNCc1nn(-c2ccccc2)c2c1CCC2 ZINC000876962143 1137666356 /nfs/dbraw/zinc/66/63/56/1137666356.db2.gz MYDBINTVKIOWRK-UHFFFAOYSA-N 0 1 333.435 3.665 20 10 EHCDMN COc1cc(CNCc2ccc(N3CCC(C)CC3)cc2)sn1 ZINC000877024473 1137667758 /nfs/dbraw/zinc/66/77/58/1137667758.db2.gz FJPCHQISXGAZNB-UHFFFAOYSA-N 0 1 331.485 3.678 20 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CCOc1cccc(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1O ZINC000093768901 1138240866 /nfs/dbraw/zinc/24/08/66/1138240866.db2.gz XOMOSLRVTQXHCE-GUYCJALGSA-N 0 1 333.453 3.814 20 10 EHCDMN OC[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000265267605 1138788996 /nfs/dbraw/zinc/78/89/96/1138788996.db2.gz SLBJJGZWPXCKMH-HXUWFJFHSA-N 0 1 328.431 3.639 20 10 EHCDMN C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180678264 1139854617 /nfs/dbraw/zinc/85/46/17/1139854617.db2.gz QIHDNHWLPGHADR-YTEVENLXSA-N 0 1 337.872 3.976 20 10 EHCDMN CC(=O)c1cc(F)cc(CN[C@@H](c2nc(C)cs2)C2CC2)c1O ZINC000181604267 1139918816 /nfs/dbraw/zinc/91/88/16/1139918816.db2.gz KQDMGMVITXSSSA-OAHLLOKOSA-N 0 1 334.416 3.740 20 10 EHCDMN C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(Br)cc1[O-] ZINC000185537667 1140154873 /nfs/dbraw/zinc/15/48/73/1140154873.db2.gz VWHYVWVHMHEBFO-LLVKDONJSA-N 0 1 330.266 3.604 20 10 EHCDMN C[C@@H](NCc1nccn1CCc1ccccc1)c1cc(F)ccc1O ZINC000185661882 1140161571 /nfs/dbraw/zinc/16/15/71/1140161571.db2.gz 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CC(C)[N@H+](CCC(=O)[O-])Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000736469110 600608875 /nfs/dbraw/zinc/60/88/75/600608875.db2.gz ZSBHACZPULUWDR-UHFFFAOYSA-N 0 1 331.412 3.702 20 10 EHCDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000736469110 600608876 /nfs/dbraw/zinc/60/88/76/600608876.db2.gz ZSBHACZPULUWDR-UHFFFAOYSA-N 0 1 331.412 3.702 20 10 EHCDMN CSCC[C@H](C)[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001599795133 988084334 /nfs/dbraw/zinc/08/43/34/988084334.db2.gz GBNZGFDDZQJJNM-NSHDSACASA-N 0 1 338.448 3.589 20 10 EHCDMN C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593256823 994523175 /nfs/dbraw/zinc/52/31/75/994523175.db2.gz JNDFNPQOTARVNY-YOEHRIQHSA-N 0 1 346.471 3.538 20 10 EHCDMN C[C@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593256823 994523184 /nfs/dbraw/zinc/52/31/84/994523184.db2.gz JNDFNPQOTARVNY-YOEHRIQHSA-N 0 1 346.471 3.538 20 10 EHCDMN CN1CCN(c2ccc(CNc3ccc(OC4CC4)cc3)cc2)CC1 ZINC001167434727 1020020102 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1135236910 /nfs/dbraw/zinc/23/69/10/1135236910.db2.gz GGWPQIFUZNRUKP-UHFFFAOYSA-N 0 1 340.272 3.555 20 10 EHCDMN CC1CC[NH+](C[C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000775664928 1135439438 /nfs/dbraw/zinc/43/94/38/1135439438.db2.gz SBADTQYCRJUWAP-MRXNPFEDSA-N 0 1 336.907 3.990 20 10 EHCDMN Cc1nc2sccn2c1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775679173 1135503800 /nfs/dbraw/zinc/50/38/00/1135503800.db2.gz POUQCFIUUZSMQO-UHFFFAOYSA-N 0 1 339.823 3.834 20 10 EHCDMN C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)n1cccc1 ZINC000807841001 1135576298 /nfs/dbraw/zinc/57/62/98/1135576298.db2.gz PLALHTMMFKXILP-JTQLQIEISA-N 0 1 327.211 3.768 20 10 EHCDMN CO[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000807839992 1135576332 /nfs/dbraw/zinc/57/63/32/1135576332.db2.gz OVXUIPDGWXYEPH-HNNXBMFYSA-N 0 1 340.206 3.703 20 10 EHCDMN CC(=O)C(C)(C)CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807841389 1135576371 /nfs/dbraw/zinc/57/63/71/1135576371.db2.gz ZUCFCNPXBPOSIH-UHFFFAOYSA-N 0 1 332.227 3.711 20 10 EHCDMN O=C(CCc1ccccc1O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836723 1135580740 /nfs/dbraw/zinc/58/07/40/1135580740.db2.gz LVPSRVNAEFGWRO-UHFFFAOYSA-N 0 1 340.206 3.654 20 10 EHCDMN Cc1nc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 ZINC000807835270 1135580808 /nfs/dbraw/zinc/58/08/08/1135580808.db2.gz CILJUALICOYDDE-UHFFFAOYSA-N 0 1 345.251 3.713 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncc(Br)cn1 ZINC000808090006 1135616326 /nfs/dbraw/zinc/61/63/26/1135616326.db2.gz OQCYRKARQMABFH-UHFFFAOYSA-N 0 1 349.015 3.864 20 10 EHCDMN O=S(=O)(/C=C\c1ccccc1F)Nc1cc(Cl)c(O)cc1F ZINC000808113890 1135618595 /nfs/dbraw/zinc/61/85/95/1135618595.db2.gz KPVXMTSKOIDZMX-WAYWQWQTSA-N 0 1 345.754 3.736 20 10 EHCDMN COc1ccc(N2CCN(Cc3cc(C)ccc3C)CC2)c(OC)c1 ZINC001197104669 1135649992 /nfs/dbraw/zinc/64/99/92/1135649992.db2.gz JWAQDIJJYHNHKM-UHFFFAOYSA-N 0 1 340.467 3.643 20 10 EHCDMN O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3c([O-])cccc3Cl)c2c1 ZINC000808452205 1135669875 /nfs/dbraw/zinc/66/98/75/1135669875.db2.gz BQMSZLDKFDYPMR-UHFFFAOYSA-N 0 1 345.786 3.767 20 10 EHCDMN COc1cccc(O)c1CNCc1cc(F)c(C(F)(F)F)cc1F ZINC000808428626 1135674325 /nfs/dbraw/zinc/67/43/25/1135674325.db2.gz IVTGGLFXQHKNPS-UHFFFAOYSA-N 0 1 347.283 3.988 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1[O-] ZINC000808677704 1135715359 /nfs/dbraw/zinc/71/53/59/1135715359.db2.gz DYRNGVKQZFFFKN-LBPRGKRZSA-N 0 1 325.836 3.690 20 10 EHCDMN CC[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000808729638 1135723696 /nfs/dbraw/zinc/72/36/96/1135723696.db2.gz NBZWNDAYCLNJHE-RLFYNMQTSA-N 0 1 333.815 3.581 20 10 EHCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C12CCCC2 ZINC000809560928 1135850849 /nfs/dbraw/zinc/85/08/49/1135850849.db2.gz UGRJMRJQCPPWPM-IAGOWNOFSA-N 0 1 335.419 3.561 20 10 EHCDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809700835 1135869971 /nfs/dbraw/zinc/86/99/71/1135869971.db2.gz PEQMJWJARBJPCG-JSGCOSHPSA-N 0 1 342.277 3.670 20 10 EHCDMN COC1(C[C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])CCC1 ZINC000809713394 1135876454 /nfs/dbraw/zinc/87/64/54/1135876454.db2.gz OKIJUNRPVHLOPP-NSHDSACASA-N 0 1 328.250 3.592 20 10 EHCDMN CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000809726656 1135879428 /nfs/dbraw/zinc/87/94/28/1135879428.db2.gz RRSXFVJYBOZDKB-AWEZNQCLSA-N 0 1 340.851 3.536 20 10 EHCDMN COc1ccc(O)c(CNCc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000809769670 1135880850 /nfs/dbraw/zinc/88/08/50/1135880850.db2.gz JGJQVBUUOSOIHY-UHFFFAOYSA-N 0 1 347.283 3.988 20 10 EHCDMN Cc1cccc2c1OC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000810177725 1135934506 /nfs/dbraw/zinc/93/45/06/1135934506.db2.gz DAZTYGQDVBNMFL-OAHLLOKOSA-N 0 1 348.240 3.556 20 10 EHCDMN CC[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215622 1135938597 /nfs/dbraw/zinc/93/85/97/1135938597.db2.gz IIXHXGXAIMEJGV-HNNXBMFYSA-N 0 1 341.377 3.818 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217040 1135938608 /nfs/dbraw/zinc/93/86/08/1135938608.db2.gz VGNLXAYXZHSWOI-GOEBONIOSA-N 0 1 342.405 3.936 20 10 EHCDMN CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209120 1135943217 /nfs/dbraw/zinc/94/32/17/1135943217.db2.gz MFHKHGOXUXESJG-BXUZGUMPSA-N 0 1 327.350 3.737 20 10 EHCDMN CC[C@@H]([NH2+]CCCn1cccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209513 1135943304 /nfs/dbraw/zinc/94/33/04/1135943304.db2.gz GMUYFYYWJZWAQZ-CQSZACIVSA-N 0 1 327.350 3.739 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209904 1135943444 /nfs/dbraw/zinc/94/34/44/1135943444.db2.gz LGTGCGKBGSCHCL-GXTWGEPZSA-N 0 1 329.318 3.778 20 10 EHCDMN CC[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209905 1135943485 /nfs/dbraw/zinc/94/34/85/1135943485.db2.gz LGTGCGKBGSCHCL-JSGCOSHPSA-N 0 1 329.318 3.778 20 10 EHCDMN CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239230 1135946771 /nfs/dbraw/zinc/94/67/71/1135946771.db2.gz YAMJYBJODFLOJG-LZWOXQAQSA-N 0 1 347.377 3.646 20 10 EHCDMN CC[C@H]([NH2+][C@H](CCOC)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810258124 1135949262 /nfs/dbraw/zinc/94/92/62/1135949262.db2.gz ZUTBSRLRJSXICO-OCCSQVGLSA-N 0 1 335.366 3.503 20 10 EHCDMN CCc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1C ZINC000811528446 1136099180 /nfs/dbraw/zinc/09/91/80/1136099180.db2.gz CWYYFPPMKCBLFS-UHFFFAOYSA-N 0 1 327.211 3.530 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811781520 1136134760 /nfs/dbraw/zinc/13/47/60/1136134760.db2.gz CZIKASCPWMLRJX-GOSISDBHSA-N 0 1 345.446 3.577 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811781520 1136134764 /nfs/dbraw/zinc/13/47/64/1136134764.db2.gz CZIKASCPWMLRJX-GOSISDBHSA-N 0 1 345.446 3.577 20 10 EHCDMN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](n3cccn3)C1)oc1ccccc12 ZINC000812295167 1136195926 /nfs/dbraw/zinc/19/59/26/1136195926.db2.gz XGTXGNZMNRAILL-HNNXBMFYSA-N 0 1 333.391 3.935 20 10 EHCDMN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](n3cccn3)C1)oc1ccccc12 ZINC000812295167 1136195927 /nfs/dbraw/zinc/19/59/27/1136195927.db2.gz XGTXGNZMNRAILL-HNNXBMFYSA-N 0 1 333.391 3.935 20 10 EHCDMN COC(=O)c1ccc(O)c([C@H](C)Nc2cc3c(cn2)CCCC3)c1 ZINC000812738983 1136240431 /nfs/dbraw/zinc/24/04/31/1136240431.db2.gz GMTGPXZRVMCVOY-LBPRGKRZSA-N 0 1 326.396 3.626 20 10 EHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000850406765 1136251161 /nfs/dbraw/zinc/25/11/61/1136251161.db2.gz SPZRUQHKQNTCMV-HNNXBMFYSA-N 0 1 328.431 3.638 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850492315 1136270988 /nfs/dbraw/zinc/27/09/88/1136270988.db2.gz DCWBODOLGBEHLQ-AAEUAGOBSA-N 0 1 341.293 3.678 20 10 EHCDMN CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1)c1cc(Cl)ccc1[O-] ZINC000850501039 1136272495 /nfs/dbraw/zinc/27/24/95/1136272495.db2.gz JCZFKOSTWCJAQF-ZFZWDLNGSA-N 0 1 341.879 3.652 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Br)cc1[O-] ZINC000850525469 1136277845 /nfs/dbraw/zinc/27/78/45/1136277845.db2.gz NZBRNEJCUHPLFF-PWSUYJOCSA-N 0 1 326.234 3.517 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000850581155 1136292783 /nfs/dbraw/zinc/29/27/83/1136292783.db2.gz UUYXWHFSDARSOF-ANRSDYALSA-N 0 1 345.748 3.847 20 10 EHCDMN CC(C)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)no1 ZINC000813684756 1136356937 /nfs/dbraw/zinc/35/69/37/1136356937.db2.gz WBVLWGCRTRYWIW-UHFFFAOYSA-N 0 1 329.183 3.740 20 10 EHCDMN CN(C)c1ccc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000851708382 1136400543 /nfs/dbraw/zinc/40/05/43/1136400543.db2.gz VIHWJFBPPRLRIA-HKUYNNGSSA-N 0 1 330.472 3.608 20 10 EHCDMN OC[C@H]1Cc2ccccc2N(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000814169553 1136415014 /nfs/dbraw/zinc/41/50/14/1136415014.db2.gz JEFGGBFPCWIVSQ-NSHDSACASA-N 0 1 338.234 3.870 20 10 EHCDMN CCN(C)c1ccc(CN[C@H](COC)c2cccc(OC)c2)cc1 ZINC000852442994 1136456547 /nfs/dbraw/zinc/45/65/47/1136456547.db2.gz GVPPYOFUOZUFIX-HXUWFJFHSA-N 0 1 328.456 3.629 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000852594308 1136469296 /nfs/dbraw/zinc/46/92/96/1136469296.db2.gz BGHDJTRXNZFKTI-KSSFIOAISA-N 0 1 335.419 3.515 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000852594308 1136469298 /nfs/dbraw/zinc/46/92/98/1136469298.db2.gz BGHDJTRXNZFKTI-KSSFIOAISA-N 0 1 335.419 3.515 20 10 EHCDMN COc1ccc(CN[C@H]2CCc3ccccc3-n3ccnc32)cc1C ZINC000853093925 1136508290 /nfs/dbraw/zinc/50/82/90/1136508290.db2.gz MVMYUPIZMJWALS-SFHVURJKSA-N 0 1 333.435 3.966 20 10 EHCDMN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)Cc1ccccc1O ZINC000111236033 1136524800 /nfs/dbraw/zinc/52/48/00/1136524800.db2.gz GMXQBOJXPPHOOV-UONOGXRCSA-N 0 1 346.858 3.743 20 10 EHCDMN COc1cc(C)cc(CN(C)Cc2cnn(-c3ccccc3)c2)c1O ZINC000111996229 1136595413 /nfs/dbraw/zinc/59/54/13/1136595413.db2.gz RNJIMPWOPKMMOO-UHFFFAOYSA-N 0 1 337.423 3.527 20 10 EHCDMN CC[C@H]([NH2+]Cc1cccc(N)c1)c1cc(Br)ccc1[O-] ZINC000854217032 1136599172 /nfs/dbraw/zinc/59/91/72/1136599172.db2.gz HRNFJCONZXUVQL-HNNXBMFYSA-N 0 1 335.245 3.978 20 10 EHCDMN Cc1csc([C@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000854475409 1136618987 /nfs/dbraw/zinc/61/89/87/1136618987.db2.gz UBIMKZYOCZAHCG-MRVPVSSYSA-N 0 1 345.251 3.884 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cc(Br)ccc1[O-] ZINC000815642464 1136625126 /nfs/dbraw/zinc/62/51/26/1136625126.db2.gz CCXQJDWWGPRJBI-VHSXEESVSA-N 0 1 337.217 3.667 20 10 EHCDMN C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1c([O-])ccc2ccncc21 ZINC000776777099 1136664304 /nfs/dbraw/zinc/66/43/04/1136664304.db2.gz QCQKWKYLWMKUIW-UHFFFAOYSA-N 0 1 332.325 3.990 20 10 EHCDMN C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1c([O-])ccc2ccncc21 ZINC000776777099 1136664306 /nfs/dbraw/zinc/66/43/06/1136664306.db2.gz QCQKWKYLWMKUIW-UHFFFAOYSA-N 0 1 332.325 3.990 20 10 EHCDMN COCCCOC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816514292 1136729695 /nfs/dbraw/zinc/72/96/95/1136729695.db2.gz SKGGYFZVZYKZLS-UHFFFAOYSA-N 0 1 329.440 3.563 20 10 EHCDMN CC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCN1CC(F)F ZINC000816516657 1136730333 /nfs/dbraw/zinc/73/03/33/1136730333.db2.gz MHMGXMPSAIONHP-MRXNPFEDSA-N 0 1 334.410 3.707 20 10 EHCDMN CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCN1CC(F)F ZINC000816516657 1136730334 /nfs/dbraw/zinc/73/03/34/1136730334.db2.gz MHMGXMPSAIONHP-MRXNPFEDSA-N 0 1 334.410 3.707 20 10 EHCDMN COc1cccc2c1OC[C@H]([NH2+]Cc1ccc3ccccc3c1[O-])C2 ZINC000816546414 1136732358 /nfs/dbraw/zinc/73/23/58/1136732358.db2.gz JLKMKSNAXKCSDK-QGZVFWFLSA-N 0 1 335.403 3.647 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000816594483 1136735566 /nfs/dbraw/zinc/73/55/66/1136735566.db2.gz FKEJHCBUDJBDJW-OAHLLOKOSA-N 0 1 348.849 3.796 20 10 EHCDMN CC(=O)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 ZINC000816681647 1136747597 /nfs/dbraw/zinc/74/75/97/1136747597.db2.gz COUVYBSEJDPFIN-UHFFFAOYSA-N 0 1 344.219 3.893 20 10 EHCDMN Oc1ccccc1CN(Cc1cncc(Cl)c1)C[C@@H]1CCCO1 ZINC000856730480 1136803961 /nfs/dbraw/zinc/80/39/61/1136803961.db2.gz CYYLKCPOIDPQKW-KRWDZBQOSA-N 0 1 332.831 3.622 20 10 EHCDMN COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)cc1 ZINC000818341822 1136872614 /nfs/dbraw/zinc/87/26/14/1136872614.db2.gz HFFYXAALOIJZKI-LSDHHAIUSA-N 0 1 344.430 3.717 20 10 EHCDMN CN(C)c1cc(F)c(CN[C@H](CCCO)c2ccccc2)cc1F ZINC000858144828 1136943620 /nfs/dbraw/zinc/94/36/20/1136943620.db2.gz VOIGQSNCUBLFNZ-GOSISDBHSA-N 0 1 334.410 3.634 20 10 EHCDMN Cc1cc(CNCc2ccnn2CC2CC2)c(C)n1-c1ccccc1 ZINC000858294372 1136955669 /nfs/dbraw/zinc/95/56/69/1136955669.db2.gz HCYXGFGYGBBXKM-UHFFFAOYSA-N 0 1 334.467 3.990 20 10 EHCDMN CCC(F)(F)CN[C@H](C)c1cc(Br)cc(F)c1O ZINC000858506363 1136974591 /nfs/dbraw/zinc/97/45/91/1136974591.db2.gz HLEVZESJXVCCEB-SSDOTTSWSA-N 0 1 326.156 3.990 20 10 EHCDMN Oc1c(Br)cc(Br)cc1CN1CC2(CC2)C1 ZINC000824533556 1137141780 /nfs/dbraw/zinc/14/17/80/1137141780.db2.gz HXOXARUTEYGYAV-UHFFFAOYSA-N 0 1 347.050 3.513 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000862398594 1137142815 /nfs/dbraw/zinc/14/28/15/1137142815.db2.gz MTBOOEFKFWCCSE-DOMZBBRYSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000862398594 1137142816 /nfs/dbraw/zinc/14/28/16/1137142816.db2.gz MTBOOEFKFWCCSE-DOMZBBRYSA-N 0 1 340.261 3.546 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485575 1137146539 /nfs/dbraw/zinc/14/65/39/1137146539.db2.gz PSDKDLCYMLIVKU-OCCSQVGLSA-N 0 1 339.863 3.845 20 10 EHCDMN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824696981 1137147316 /nfs/dbraw/zinc/14/73/16/1137147316.db2.gz WXJVMCKVEGRIOB-ARFHVFGLSA-N 0 1 339.863 3.570 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824696981 1137147317 /nfs/dbraw/zinc/14/73/17/1137147317.db2.gz WXJVMCKVEGRIOB-ARFHVFGLSA-N 0 1 339.863 3.570 20 10 EHCDMN Oc1c(CN2CCc3nc(C4CC4)ncc3C2)ccc2ccccc21 ZINC000862507345 1137147515 /nfs/dbraw/zinc/14/75/15/1137147515.db2.gz ARAQELIHCSGSQN-UHFFFAOYSA-N 0 1 331.419 3.771 20 10 EHCDMN C[C@]1(C[NH2+]Cc2cc(Br)ccc2[O-])CC1(Cl)Cl ZINC000824766560 1137150783 /nfs/dbraw/zinc/15/07/83/1137150783.db2.gz VRDKNVXGRTWXPO-LLVKDONJSA-N 0 1 339.060 3.828 20 10 EHCDMN C[C@@]1(C[NH2+]Cc2cc(Br)ccc2[O-])CC1(Cl)Cl ZINC000824766565 1137150867 /nfs/dbraw/zinc/15/08/67/1137150867.db2.gz VRDKNVXGRTWXPO-NSHDSACASA-N 0 1 339.060 3.828 20 10 EHCDMN COC[C@@H](NCc1ccc(Br)cc1O)c1ccc(C)o1 ZINC000825325812 1137172841 /nfs/dbraw/zinc/17/28/41/1137172841.db2.gz KOYKUHXVJZJCEW-CYBMUJFWSA-N 0 1 340.217 3.533 20 10 EHCDMN Oc1ccc2oc3c(c2c1CN1CCO[C@H](CCF)C1)CCCC3 ZINC000863316423 1137180669 /nfs/dbraw/zinc/18/06/69/1137180669.db2.gz DSOFILCLKGZJPA-CYBMUJFWSA-N 0 1 333.403 3.578 20 10 EHCDMN COc1cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794653247 1137223706 /nfs/dbraw/zinc/22/37/06/1137223706.db2.gz LKEOOJVHTFQAQS-ACJLOTCBSA-N 0 1 333.472 3.698 20 10 EHCDMN Cc1cc(O)c(CN[C@H](Cc2ccccc2)c2nccn2C)cc1C ZINC000846059706 1137327588 /nfs/dbraw/zinc/32/75/88/1137327588.db2.gz ZMYCLCHYAXSEQW-LJQANCHMSA-N 0 1 335.451 3.816 20 10 EHCDMN C[C@H](NCc1nc2cc(F)ccc2n1C)c1ccc(N(C)C)cc1 ZINC000773000317 1137457753 /nfs/dbraw/zinc/45/77/53/1137457753.db2.gz MAOWUKKBYFMEOF-ZDUSSCGKSA-N 0 1 326.419 3.629 20 10 EHCDMN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000773105668 1137465699 /nfs/dbraw/zinc/46/56/99/1137465699.db2.gz ILAWMAGKDHFWLV-JSGCOSHPSA-N 0 1 348.384 3.780 20 10 EHCDMN Oc1cc2ccccc2cc1CNc1cc(O[C@@H]2CCOC2)ccn1 ZINC001171407599 1137474233 /nfs/dbraw/zinc/47/42/33/1137474233.db2.gz QCCCJXXEOGKVHI-GOSISDBHSA-N 0 1 336.391 3.720 20 10 EHCDMN CCCOc1ccc(C[NH2+]Cc2nc(C)c(C(=O)[O-])s2)cc1C ZINC000871877390 1137561846 /nfs/dbraw/zinc/56/18/46/1137561846.db2.gz HZFZBYUDAMACMB-UHFFFAOYSA-N 0 1 334.441 3.537 20 10 EHCDMN COc1ccc(CN[C@@H](C)c2cnc(C)s2)cc1Cn1cccn1 ZINC000873150743 1137591435 /nfs/dbraw/zinc/59/14/35/1137591435.db2.gz PFOYCJIKGSAUJC-ZDUSSCGKSA-N 0 1 342.468 3.556 20 10 EHCDMN CCN(CC[NH2+]Cc1cc(Cl)c(C)cc1[O-])CCC(F)(F)F ZINC000825692788 1137606539 /nfs/dbraw/zinc/60/65/39/1137606539.db2.gz MXRPNIUAWACLGT-UHFFFAOYSA-N 0 1 338.801 3.718 20 10 EHCDMN Cc1ccc(NCc2ccc(F)c(F)c2O)cc1C(=O)NC(C)C ZINC000876860641 1137663965 /nfs/dbraw/zinc/66/39/65/1137663965.db2.gz GMGBSZXTRCFRCR-UHFFFAOYSA-N 0 1 334.366 3.729 20 10 EHCDMN COCCC[N@H+](Cc1ccncc1)Cc1cc(Cl)c(C)cc1[O-] ZINC000825915910 1137664207 /nfs/dbraw/zinc/66/42/07/1137664207.db2.gz DJOLXVWUFWZCOQ-UHFFFAOYSA-N 0 1 334.847 3.788 20 10 EHCDMN COCCC[N@@H+](Cc1ccncc1)Cc1cc(Cl)c(C)cc1[O-] ZINC000825915910 1137664208 /nfs/dbraw/zinc/66/42/08/1137664208.db2.gz DJOLXVWUFWZCOQ-UHFFFAOYSA-N 0 1 334.847 3.788 20 10 EHCDMN CC[C@H](C)NC(=O)c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877496853 1137678466 /nfs/dbraw/zinc/67/84/66/1137678466.db2.gz XCLJXYHQXQPIBA-NSHDSACASA-N 0 1 334.366 3.811 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000877521024 1137679342 /nfs/dbraw/zinc/67/93/42/1137679342.db2.gz OFKRPXMRWUQACA-OAHLLOKOSA-N 0 1 347.256 3.587 20 10 EHCDMN COc1ccc(OC)c([C@H](C)NCc2ccc3c(c2)CCCN3C)c1 ZINC000126676104 1137686410 /nfs/dbraw/zinc/68/64/10/1137686410.db2.gz XHBKQVPIUARMLS-HNNXBMFYSA-N 0 1 340.467 3.937 20 10 EHCDMN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000101904743 1137871931 /nfs/dbraw/zinc/87/19/31/1137871931.db2.gz DKLRYVOHNMWPEU-MRXNPFEDSA-N 0 1 340.467 3.530 20 10 EHCDMN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000101904743 1137871932 /nfs/dbraw/zinc/87/19/32/1137871932.db2.gz DKLRYVOHNMWPEU-MRXNPFEDSA-N 0 1 340.467 3.530 20 10 EHCDMN Oc1ccccc1CN(Cc1cccc(Cl)n1)C[C@@H]1CCCO1 ZINC000072629265 1138106670 /nfs/dbraw/zinc/10/66/70/1138106670.db2.gz HHHNBRFVWUCHCD-INIZCTEOSA-N 0 1 332.831 3.622 20 10 EHCDMN CC(=O)c1cc(F)cc(CNC2(c3nccs3)CCCC2)c1O ZINC000083215196 1138175104 /nfs/dbraw/zinc/17/51/04/1138175104.db2.gz VRWJNIFODXQGHQ-UHFFFAOYSA-N 0 1 334.416 3.750 20 10 EHCDMN Cc1c(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cnn1C ZINC000090887965 1138213728 /nfs/dbraw/zinc/21/37/28/1138213728.db2.gz AOHIOYJKFTVITL-CQSZACIVSA-N 0 1 330.451 3.709 20 10 EHCDMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180678302 1139855396 /nfs/dbraw/zinc/85/53/96/1139855396.db2.gz QIHDNHWLPGHADR-AMXDTQDGSA-N 0 1 337.872 3.976 20 10 EHCDMN C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000184854744 1140122794 /nfs/dbraw/zinc/12/27/94/1140122794.db2.gz JAFWQGOXCSABCZ-BZNIZROVSA-N 0 1 336.229 3.539 20 10 EHCDMN Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cnn1C ZINC000185002182 1140130573 /nfs/dbraw/zinc/13/05/73/1140130573.db2.gz FUKJFQIUKKVKQJ-UWVGGRQHSA-N 0 1 338.249 3.608 20 10 EHCDMN Cc1noc(C)c1CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185395623 1140148597 /nfs/dbraw/zinc/14/85/97/1140148597.db2.gz FWEGRALXJLPORH-SECBINFHSA-N 0 1 339.233 3.653 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C1CCOCC1 ZINC000185783397 1140169421 /nfs/dbraw/zinc/16/94/21/1140169421.db2.gz GNYXBVOEJFCEFK-MNOVXSKESA-N 0 1 328.250 3.620 20 10 EHCDMN CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000185966300 1140179660 /nfs/dbraw/zinc/17/96/60/1140179660.db2.gz CFFVBJURBKLECF-GFCCVEGCSA-N 0 1 348.830 3.734 20 10 EHCDMN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(Br)ccc1[O-] ZINC000186074759 1140185794 /nfs/dbraw/zinc/18/57/94/1140185794.db2.gz SZZPSMHRCUOMPB-WDEREUQCSA-N 0 1 330.266 3.602 20 10 EHCDMN Cc1cc(CN[C@H](C)c2cc(Br)cc(C)c2O)on1 ZINC000187166382 1140243046 /nfs/dbraw/zinc/24/30/46/1140243046.db2.gz BZCBEMVVSMNHEV-SNVBAGLBSA-N 0 1 325.206 3.610 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000271171140 1141317207 /nfs/dbraw/zinc/31/72/07/1141317207.db2.gz FEKKKSNFDRAUOE-HNNXBMFYSA-N 0 1 339.863 3.596 20 10 EHCDMN Cc1cc(O)c(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C ZINC000738463832 600280643 /nfs/dbraw/zinc/28/06/43/600280643.db2.gz PNBXQTOSDOKKQZ-UHFFFAOYSA-N 0 1 349.377 3.764 20 10 EHCDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000840997820 955584677 /nfs/dbraw/zinc/58/46/77/955584677.db2.gz PHKZSMDEXQKSEN-UHFFFAOYSA-N 0 1 338.451 3.546 20 10 EHCDMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1N1CCCCC1 ZINC000851709675 969288206 /nfs/dbraw/zinc/28/82/06/969288206.db2.gz VWVFFDQQODWHKV-AEFFLSMTSA-N 0 1 330.472 3.528 20 10 EHCDMN CCCC[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1O ZINC001595749260 982422497 /nfs/dbraw/zinc/42/24/97/982422497.db2.gz UWYRQCBBDDXDNV-KHPPLWFESA-N 0 1 329.396 3.885 20 10 EHCDMN CC[N@@H+](Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccc(N(C)C)cc1 ZINC001596364739 983852788 /nfs/dbraw/zinc/85/27/88/983852788.db2.gz BILUMTSWKPCPTC-UHFFFAOYSA-N 0 1 341.455 3.678 20 10 EHCDMN CC(C)[N@@H+](Cc1csc(C(=O)[O-])c1)Cc1ccc(N(C)C)cc1 ZINC001591596873 992826086 /nfs/dbraw/zinc/82/60/86/992826086.db2.gz SDIBFRMAAWPFSG-UHFFFAOYSA-N 0 1 332.469 3.923 20 10 EHCDMN COc1cc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)c(O)c(C(C)(C)C)c1 ZINC001599404917 997280339 /nfs/dbraw/zinc/28/03/39/997280339.db2.gz GLAXSQORCIKJAG-LBPRGKRZSA-N 0 1 335.444 3.526 20 10 EHCDMN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000185083603 1032361574 /nfs/dbraw/zinc/36/15/74/1032361574.db2.gz ZKIHGIWJWOYAFP-LBPRGKRZSA-N 0 1 342.830 3.786 20 10 EHCDMN COc1ccc(CN[C@H](COCC(C)C)c2ccco2)c(O)c1OC ZINC000892781629 1017401299 /nfs/dbraw/zinc/40/12/99/1017401299.db2.gz CFOZUOQOGVOFFU-OAHLLOKOSA-N 0 1 349.427 3.506 20 10 EHCDMN CC[C@H]([NH2+]CCOC1CCC1)c1cc(Br)ccc1[O-] ZINC000690699767 1017637973 /nfs/dbraw/zinc/63/79/73/1017637973.db2.gz ASAQKMBPWZKZMN-AWEZNQCLSA-N 0 1 328.250 3.765 20 10 EHCDMN Oc1cc2c(cc1CN1CCO[C@H](c3cccs3)C1)CCCC2 ZINC000160413256 1018755225 /nfs/dbraw/zinc/75/52/25/1018755225.db2.gz WJKNUEWPWPORCO-SFHVURJKSA-N 0 1 329.465 3.906 20 10 EHCDMN CC[C@@H]([NH2+]Cc1snnc1C)c1cc(Br)ccc1[O-] ZINC000293774904 1020778931 /nfs/dbraw/zinc/77/89/31/1020778931.db2.gz SWNZKPIXJCAMDA-LLVKDONJSA-N 0 1 342.262 3.556 20 10 EHCDMN COC(=O)c1c(CNCc2cc(C)cs2)c2cc(F)ccc2n1C ZINC000894896867 1021933640 /nfs/dbraw/zinc/93/36/40/1021933640.db2.gz ZKIMHIUDSATKTD-UHFFFAOYSA-N 0 1 346.427 3.764 20 10 EHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc(Cl)cc1 ZINC000170265397 1033086084 /nfs/dbraw/zinc/08/60/84/1033086084.db2.gz CTYSGTAGVLXSGK-UHFFFAOYSA-N 0 1 336.171 3.639 20 10 EHCDMN COc1cc(C)cc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1O ZINC000164497607 1022928749 /nfs/dbraw/zinc/92/87/49/1022928749.db2.gz JLSNHNVSAGRJSH-DYVFJYSZSA-N 0 1 333.453 3.733 20 10 EHCDMN CC[C@H](C)c1nc([C@@H](C)NCc2cc(Cl)cc(OC)c2O)n[nH]1 ZINC000277069135 1023735678 /nfs/dbraw/zinc/73/56/78/1023735678.db2.gz DUUAJJYNPQVQJA-VHSXEESVSA-N 0 1 338.839 3.537 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(C(F)(F)F)cc1[O-] ZINC000897813773 1033169360 /nfs/dbraw/zinc/16/93/60/1033169360.db2.gz DTCIMFAXDVOTEW-GNIGRLLJSA-N 0 1 327.346 3.628 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)ccc2ccccc21 ZINC000895536333 1024595156 /nfs/dbraw/zinc/59/51/56/1024595156.db2.gz KMJZNSDTONXPGO-GOSISDBHSA-N 0 1 341.451 3.611 20 10 EHCDMN Cc1cc(Br)cc(CNCc2cc(C3CC3)no2)c1O ZINC000895763986 1024806468 /nfs/dbraw/zinc/80/64/68/1024806468.db2.gz DSPMBEYTMMLBHI-UHFFFAOYSA-N 0 1 337.217 3.618 20 10 EHCDMN C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000192938681 1026647998 /nfs/dbraw/zinc/64/79/98/1026647998.db2.gz KSBKWACUPAINHK-RDJZCZTQSA-N 0 1 329.440 3.782 20 10 EHCDMN CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000708075100 1026699493 /nfs/dbraw/zinc/69/94/93/1026699493.db2.gz JAYWYLGAFAKVGT-GFCCVEGCSA-N 0 1 348.668 3.809 20 10 EHCDMN C[C@H]1CCCN(c2ccc(CNCc3cncnc3)cc2Cl)C1 ZINC000282071856 1029728351 /nfs/dbraw/zinc/72/83/51/1029728351.db2.gz QPQGNZIGZJEGDJ-AWEZNQCLSA-N 0 1 330.863 3.656 20 10 EHCDMN COCc1ccc(CNCc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000127599050 1029928964 /nfs/dbraw/zinc/92/89/64/1029928964.db2.gz NVMMZGMMFAJEAV-UHFFFAOYSA-N 0 1 328.456 3.952 20 10 EHCDMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C12CCC2 ZINC000761202517 1034410824 /nfs/dbraw/zinc/41/08/24/1034410824.db2.gz FQWUMLSICLHVJB-CVEARBPZSA-N 0 1 339.863 3.834 20 10 EHCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C12CCC2 ZINC000761202517 1034410835 /nfs/dbraw/zinc/41/08/35/1034410835.db2.gz FQWUMLSICLHVJB-CVEARBPZSA-N 0 1 339.863 3.834 20 10 EHCDMN Cc1cc(CCNCc2nnc(C)s2)c(C)n1-c1ccccc1 ZINC000892472500 1034451968 /nfs/dbraw/zinc/45/19/68/1034451968.db2.gz YMSZXKYYKSOHRL-UHFFFAOYSA-N 0 1 326.469 3.586 20 10 EHCDMN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000171936976 1034723887 /nfs/dbraw/zinc/72/38/87/1034723887.db2.gz CQZTZJRIADRIIE-QGZVFWFLSA-N 0 1 340.467 3.650 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000185686505 1035512126 /nfs/dbraw/zinc/51/21/26/1035512126.db2.gz BAAJTGSWTZOOMR-AAEUAGOBSA-N 0 1 335.810 3.509 20 10 EHCDMN [O-]c1cc(Br)cc(F)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001233032243 1036285605 /nfs/dbraw/zinc/28/56/05/1036285605.db2.gz WZKWHDSNVGSMIE-LBPRGKRZSA-N 0 1 336.151 3.525 20 10 EHCDMN Cc1nc([C@H]2CC[N@H+](Cc3cc4oc5ccccc5c4cc3[O-])C2)no1 ZINC000905685718 1039039695 /nfs/dbraw/zinc/03/96/95/1039039695.db2.gz UXXXDXZKJJZZBK-ZDUSSCGKSA-N 0 1 349.390 3.973 20 10 EHCDMN Cc1nc([C@H]2CC[N@@H+](Cc3cc4oc5ccccc5c4cc3[O-])C2)no1 ZINC000905685718 1039039715 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COc1cc(CN2CCN([C@@H](C)c3ccsc3)CC2)c(O)cc1C ZINC000764956219 1127557679 /nfs/dbraw/zinc/55/76/79/1127557679.db2.gz RLANGHALSRPIPU-HNNXBMFYSA-N 0 1 346.496 3.650 20 10 EHCDMN Oc1cccc(Cl)c1CNCc1ccncc1OCC(F)(F)F ZINC000282197376 1128060773 /nfs/dbraw/zinc/06/07/73/1128060773.db2.gz LCGOJQKQXBSPCU-UHFFFAOYSA-N 0 1 346.736 3.672 20 10 EHCDMN CCN(Cc1cc(Br)cc(F)c1O)CC(F)(F)F ZINC000715727349 1128966944 /nfs/dbraw/zinc/96/69/44/1128966944.db2.gz YHRMBNCFYRFAEC-UHFFFAOYSA-N 0 1 330.119 3.678 20 10 EHCDMN COC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(F)c(F)c1 ZINC000921964847 1128979029 /nfs/dbraw/zinc/97/90/29/1128979029.db2.gz QENXFJMCWNAIQK-GOSISDBHSA-N 0 1 333.378 3.767 20 10 EHCDMN Oc1c(Br)cc(F)cc1CN1CCCCC(F)(F)C1 ZINC001235293905 1121448229 /nfs/dbraw/zinc/44/82/29/1121448229.db2.gz CWZYRVUXWBKVJO-UHFFFAOYSA-N 0 1 338.167 3.915 20 10 EHCDMN O=C1N[C@H](c2cc(Cl)cc(Cl)c2O)Nc2cc(F)ccc21 ZINC000917502807 1122617974 /nfs/dbraw/zinc/61/79/74/1122617974.db2.gz UULOIVATGWKCGR-CYBMUJFWSA-N 0 1 327.142 3.692 20 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[O-]c1c(F)cc(F)cc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC001181575069 1133501593 /nfs/dbraw/zinc/50/15/93/1133501593.db2.gz FDDSJVPDWFISSY-UHFFFAOYSA-N 0 1 336.357 3.522 20 10 EHCDMN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1c([O-])ccc(Cl)c1F ZINC001182908867 1133748650 /nfs/dbraw/zinc/74/86/50/1133748650.db2.gz CFSLSVCLOROGTB-UHFFFAOYSA-N 0 1 346.830 3.531 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)ccc2ccccc21 ZINC001183728237 1133846894 /nfs/dbraw/zinc/84/68/94/1133846894.db2.gz QOEKTFCDYXTPTC-HNNXBMFYSA-N 0 1 338.373 3.662 20 10 EHCDMN [O-]c1c(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)ccc(F)c1F ZINC001183779523 1133854705 /nfs/dbraw/zinc/85/47/05/1133854705.db2.gz OGSXKFYNIKLNMP-JTQLQIEISA-N 0 1 325.305 3.938 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000774841267 1134049407 /nfs/dbraw/zinc/04/94/07/1134049407.db2.gz SZAQOELCZCJMLQ-NWANDNLSSA-N 0 1 334.416 3.710 20 10 EHCDMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774908615 1134116277 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CC[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000775486370 1134929070 /nfs/dbraw/zinc/92/90/70/1134929070.db2.gz FSPUZHSDDLPXCJ-KRWDZBQOSA-N 0 1 346.858 3.988 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775488863 1134935627 /nfs/dbraw/zinc/93/56/27/1134935627.db2.gz VTOBYLHVMVLNLS-AEFFLSMTSA-N 0 1 335.831 3.829 20 10 EHCDMN CC[C@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1cc(Cl)ccc1[O-] ZINC000775489348 1134941995 /nfs/dbraw/zinc/94/19/95/1134941995.db2.gz NNOFSXAIMWWYJS-YJBOKZPZSA-N 0 1 349.858 3.835 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1cc(Cl)ccc1[O-] ZINC000775493882 1134951243 /nfs/dbraw/zinc/95/12/43/1134951243.db2.gz VZMWDMQGNNYUBH-NVXWUHKLSA-N 0 1 335.831 3.829 20 10 EHCDMN CC[C@@H]([NH2+]CCCOC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775525973 1135010919 /nfs/dbraw/zinc/01/09/19/1135010919.db2.gz HKCLCWBSKUCQBH-MRXNPFEDSA-N 0 1 327.852 3.672 20 10 EHCDMN O=C(Nc1ccc2[nH]nc(Cl)c2c1)c1cc(O)c(O)c(Cl)c1 ZINC001193611977 1135158832 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O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc(Cl)c1F ZINC000807835930 1135580246 /nfs/dbraw/zinc/58/02/46/1135580246.db2.gz CCNXTWFTWLBUQH-UHFFFAOYSA-N 0 1 349.576 3.817 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc[nH]c1C1CC1 ZINC000807836927 1135580565 /nfs/dbraw/zinc/58/05/65/1135580565.db2.gz UPADNKUCMIYAPZ-UHFFFAOYSA-N 0 1 325.195 3.835 20 10 EHCDMN COc1ccc(F)cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838317 1135581813 /nfs/dbraw/zinc/58/18/13/1135581813.db2.gz OUNGGWJMMONDEE-UHFFFAOYSA-N 0 1 344.169 3.777 20 10 EHCDMN CSc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808113778 1135619037 /nfs/dbraw/zinc/61/90/37/1135619037.db2.gz JARQVYVZFZPHOL-UHFFFAOYSA-N 0 1 347.820 3.707 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(Br)ccc1[O-] ZINC000808728030 1135724528 /nfs/dbraw/zinc/72/45/28/1135724528.db2.gz NLLKDTBBEZBDFL-NWDGAFQWSA-N 0 1 348.240 3.982 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC000808696333 1135725421 /nfs/dbraw/zinc/72/54/21/1135725421.db2.gz PIHKIFBEYOPMOE-KCQAQPDRSA-N 0 1 338.879 3.652 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000809730261 1135873386 /nfs/dbraw/zinc/87/33/86/1135873386.db2.gz HJJRVQIWFGNFLK-UHFFFAOYSA-N 0 1 347.256 3.929 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H]1CCCN1CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207168 1135942809 /nfs/dbraw/zinc/94/28/09/1135942809.db2.gz DSLHEJBYCLMQCO-DZGCQCFKSA-N 0 1 330.394 3.936 20 10 EHCDMN CC[C@H]([NH2+]CCCn1ccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207210 1135943681 /nfs/dbraw/zinc/94/36/81/1135943681.db2.gz FWUWRGVVLATXIL-AWEZNQCLSA-N 0 1 327.350 3.739 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512588 1136104075 /nfs/dbraw/zinc/10/40/75/1136104075.db2.gz FUPZBQPPUFAAKR-MRXNPFEDSA-N 0 1 346.833 3.822 20 10 EHCDMN COCC[C@H]1CCCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825537309 1136165277 /nfs/dbraw/zinc/16/52/77/1136165277.db2.gz VBQMMJJCOWUKBZ-CYBMUJFWSA-N 0 1 342.277 3.793 20 10 EHCDMN COCC[C@H]1CCCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825537309 1136165280 /nfs/dbraw/zinc/16/52/80/1136165280.db2.gz VBQMMJJCOWUKBZ-CYBMUJFWSA-N 0 1 342.277 3.793 20 10 EHCDMN CCn1ccnc1[C@@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850314899 1136234234 /nfs/dbraw/zinc/23/42/34/1136234234.db2.gz HNKWSBMDTQBFPL-CYBMUJFWSA-N 0 1 331.460 3.766 20 10 EHCDMN C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc(Cl)cc1[O-] ZINC000850485690 1136268359 /nfs/dbraw/zinc/26/83/59/1136268359.db2.gz MNEIEIMIRNTZJH-QMMMGPOBSA-N 0 1 331.725 3.705 20 10 EHCDMN C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Br)ccc1[O-] ZINC000850523462 1136277576 /nfs/dbraw/zinc/27/75/76/1136277576.db2.gz AISDTJBYFFLCKA-ZYHUDNBSSA-N 0 1 326.234 3.517 20 10 EHCDMN CC[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Br)ccc1[O-] ZINC000850545169 1136282584 /nfs/dbraw/zinc/28/25/84/1136282584.db2.gz MMYZAWZBFIASHL-DOMZBBRYSA-N 0 1 342.277 3.604 20 10 EHCDMN CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Cl)ccc1[O-] ZINC000850561871 1136286519 /nfs/dbraw/zinc/28/65/19/1136286519.db2.gz LFNUJQFMGNGEMT-CRAIPNDOSA-N 0 1 341.879 3.654 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCCCC(=O)C1 ZINC000813682882 1136356474 /nfs/dbraw/zinc/35/64/74/1136356474.db2.gz MIRLEMBDBMJZNE-JTQLQIEISA-N 0 1 344.238 3.855 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CC(F)(F)C1 ZINC000813771617 1136360884 /nfs/dbraw/zinc/36/08/84/1136360884.db2.gz YKCKDICAGFGBCJ-UHFFFAOYSA-N 0 1 339.169 3.544 20 10 EHCDMN CCc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nc1 ZINC000815069899 1136546446 /nfs/dbraw/zinc/54/64/46/1136546446.db2.gz HYKHXIRQRRWVCJ-IBGZPJMESA-N 0 1 326.440 3.531 20 10 EHCDMN COC[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000112960337 1136665210 /nfs/dbraw/zinc/66/52/10/1136665210.db2.gz FKRVBUPTJIBXKX-AWEZNQCLSA-N 0 1 329.440 3.876 20 10 EHCDMN COC[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000112960337 1136665212 /nfs/dbraw/zinc/66/52/12/1136665212.db2.gz FKRVBUPTJIBXKX-AWEZNQCLSA-N 0 1 329.440 3.876 20 10 EHCDMN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816483780 1136723699 /nfs/dbraw/zinc/72/36/99/1136723699.db2.gz DRRKMUYBFWXWKE-MRXNPFEDSA-N 0 1 342.439 3.644 20 10 EHCDMN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816483780 1136723703 /nfs/dbraw/zinc/72/37/03/1136723703.db2.gz DRRKMUYBFWXWKE-MRXNPFEDSA-N 0 1 342.439 3.644 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H](c2cccs2)C1 ZINC000816498042 1136726955 /nfs/dbraw/zinc/72/69/55/1136726955.db2.gz DLJMVMGZGNAXQH-AWEZNQCLSA-N 0 1 327.808 3.820 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H](c2ccccc2F)C1 ZINC000816502179 1136727634 /nfs/dbraw/zinc/72/76/34/1136727634.db2.gz QKZCXNRCWDSJDR-KRWDZBQOSA-N 0 1 339.769 3.897 20 10 EHCDMN C[C@@H]1CN(C(C)(C)C[NH2+]Cc2ccc3ccccc3c2[O-])C[C@@H](C)O1 ZINC000816530992 1136730588 /nfs/dbraw/zinc/73/05/88/1136730588.db2.gz CNDJUVXYUXOBBO-HZPDHXFCSA-N 0 1 342.483 3.523 20 10 EHCDMN [O-]c1c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc2ccccc12 ZINC000816607664 1136740491 /nfs/dbraw/zinc/74/04/91/1136740491.db2.gz BHORWTOLGBERIK-GDBMZVCRSA-N 0 1 339.357 3.538 20 10 EHCDMN [O-]c1c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc2ccccc12 ZINC000816607664 1136740494 /nfs/dbraw/zinc/74/04/94/1136740494.db2.gz BHORWTOLGBERIK-GDBMZVCRSA-N 0 1 339.357 3.538 20 10 EHCDMN CCCn1ccnc1CCC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816611625 1136740792 /nfs/dbraw/zinc/74/07/92/1136740792.db2.gz UEJURJKPVLHOJY-UHFFFAOYSA-N 0 1 339.842 3.856 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000816614847 1136741665 /nfs/dbraw/zinc/74/16/65/1136741665.db2.gz HDMRVQKHTVLZRB-OAHLLOKOSA-N 0 1 346.833 3.822 20 10 EHCDMN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])CCO1 ZINC000817587498 1136826306 /nfs/dbraw/zinc/82/63/06/1136826306.db2.gz YPZXMFLVGSLQLZ-RAIGVLPGSA-N 0 1 328.250 3.763 20 10 EHCDMN CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000858173329 1136946660 /nfs/dbraw/zinc/94/66/60/1136946660.db2.gz AGOXWLRVUBXKLL-UKRRQHHQSA-N 0 1 328.250 3.592 20 10 EHCDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Br)[C@H]1CCCCO1 ZINC000858185596 1136947761 /nfs/dbraw/zinc/94/77/61/1136947761.db2.gz FMLFAHYKUWOUQH-DZGCQCFKSA-N 0 1 328.250 3.592 20 10 EHCDMN CSCC1(CC[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858187994 1136948125 /nfs/dbraw/zinc/94/81/25/1136948125.db2.gz ONUKBHCOMPQYJC-UHFFFAOYSA-N 0 1 330.291 3.778 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000862247864 1137134940 /nfs/dbraw/zinc/13/49/40/1137134940.db2.gz CVPLNCBRUNZJLA-MRXNPFEDSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000862247864 1137134943 /nfs/dbraw/zinc/13/49/43/1137134943.db2.gz CVPLNCBRUNZJLA-MRXNPFEDSA-N 0 1 340.261 3.547 20 10 EHCDMN COc1ccc(N2CCN(Cc3ccc4cc[nH]c4c3)CC2)cc1F ZINC000862251720 1137135466 /nfs/dbraw/zinc/13/54/66/1137135466.db2.gz LSFNLZKKPJFSNW-UHFFFAOYSA-N 0 1 339.414 3.638 20 10 EHCDMN CN(C)c1ccc(CN(Cc2c(C3CCC3)cnn2C)C2CC2)cc1 ZINC000824555139 1137142522 /nfs/dbraw/zinc/14/25/22/1137142522.db2.gz BXFCAWFUKVGMQN-UHFFFAOYSA-N 0 1 338.499 3.918 20 10 EHCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1O ZINC000824602281 1137144549 /nfs/dbraw/zinc/14/45/49/1137144549.db2.gz UESXFORMYVLWNH-UHFFFAOYSA-N 0 1 335.245 3.960 20 10 EHCDMN CC(C)[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1[O-] ZINC000824602281 1137144550 /nfs/dbraw/zinc/14/45/50/1137144550.db2.gz UESXFORMYVLWNH-UHFFFAOYSA-N 0 1 335.245 3.960 20 10 EHCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1[O-] ZINC000824602281 1137144552 /nfs/dbraw/zinc/14/45/52/1137144552.db2.gz UESXFORMYVLWNH-UHFFFAOYSA-N 0 1 335.245 3.960 20 10 EHCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000824635553 1137145318 /nfs/dbraw/zinc/14/53/18/1137145318.db2.gz HRCPPVZOVJYNEF-ICSRJNTNSA-N 0 1 341.451 3.564 20 10 EHCDMN Cc1cc(Cl)cc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824636870 1137145568 /nfs/dbraw/zinc/14/55/68/1137145568.db2.gz UPDFFXOXVKBYMV-MJGOQNOKSA-N 0 1 349.833 3.654 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862540715 1137149152 /nfs/dbraw/zinc/14/91/52/1137149152.db2.gz KMQNMEWTGNRIRG-CYBMUJFWSA-N 0 1 348.240 3.850 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862540715 1137149153 /nfs/dbraw/zinc/14/91/53/1137149153.db2.gz KMQNMEWTGNRIRG-CYBMUJFWSA-N 0 1 348.240 3.850 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892915 1137155856 /nfs/dbraw/zinc/15/58/56/1137155856.db2.gz FNUMIQSHFOKDBQ-CJNGLKHVSA-N 0 1 339.838 3.966 20 10 EHCDMN C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](c2ccsc2)O1 ZINC000119945861 1137219716 /nfs/dbraw/zinc/21/97/16/1137219716.db2.gz RLPSNCPBPKFXSG-BFUOFWGJSA-N 0 1 329.465 3.904 20 10 EHCDMN COCC[C@H]1CCCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299940 1137268813 /nfs/dbraw/zinc/26/88/13/1137268813.db2.gz MWKCHXGAZOGCTD-GFCCVEGCSA-N 0 1 346.240 3.685 20 10 EHCDMN Oc1cc(F)c(Br)cc1CN1Cc2ccc(F)cc2C1 ZINC001144306434 1137270652 /nfs/dbraw/zinc/27/06/52/1137270652.db2.gz BPEGCPSMBVSGOV-UHFFFAOYSA-N 0 1 340.167 3.949 20 10 EHCDMN COc1cc(F)c(CNCc2ccc3c(c2)CCCN3C)cc1OC ZINC000845928862 1137320973 /nfs/dbraw/zinc/32/09/73/1137320973.db2.gz PJDFUVSPXNUANF-UHFFFAOYSA-N 0 1 344.430 3.515 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc2ccccc2c1[O-] ZINC000846216494 1137341774 /nfs/dbraw/zinc/34/17/74/1137341774.db2.gz RYVMLGOGBFQFLN-IFXJQAMLSA-N 0 1 348.446 3.972 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc2ccccc2c1[O-] ZINC000866533921 1137362449 /nfs/dbraw/zinc/36/24/49/1137362449.db2.gz XPWSGTKSPUWHHH-DOTOQJQBSA-N 0 1 341.451 3.782 20 10 EHCDMN Cc1cc(Cl)cc([C@H](C)NCc2nn(C)cc2C(F)F)c1O ZINC000866566458 1137365295 /nfs/dbraw/zinc/36/52/95/1137365295.db2.gz DGASTEJGFCLJSF-VIFPVBQESA-N 0 1 329.778 3.876 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Br)ccc1[O-] ZINC000866631688 1137371314 /nfs/dbraw/zinc/37/13/14/1137371314.db2.gz CVFIOQAZPGGDML-MFKMUULPSA-N 0 1 336.233 3.537 20 10 EHCDMN CCOCCCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000868357726 1137407216 /nfs/dbraw/zinc/40/72/16/1137407216.db2.gz FMFSGUXULNSFIE-UHFFFAOYSA-N 0 1 334.243 3.912 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cc(O)ccc1F ZINC000872025338 1137565747 /nfs/dbraw/zinc/56/57/47/1137565747.db2.gz LCWMPAOZYIQDRJ-CQSZACIVSA-N 0 1 346.471 3.935 20 10 EHCDMN C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(Cl)cc1[O-] ZINC000872109455 1137571558 /nfs/dbraw/zinc/57/15/58/1137571558.db2.gz MZKRDVLLJCADFE-SECBINFHSA-N 0 1 333.741 3.612 20 10 EHCDMN COc1ccc(CN[C@@H]2CCCc3occc32)cc1Cn1cccn1 ZINC000873012980 1137587942 /nfs/dbraw/zinc/58/79/42/1137587942.db2.gz PUDXEMHPRVIIPY-GOSISDBHSA-N 0 1 337.423 3.700 20 10 EHCDMN COc1ccc([C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCO2)cc1 ZINC000877757665 1137688294 /nfs/dbraw/zinc/68/82/94/1137688294.db2.gz QNUDKJKTMACTRR-KRWDZBQOSA-N 0 1 333.815 3.628 20 10 EHCDMN COc1ccc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)cc1 ZINC000877757665 1137688295 /nfs/dbraw/zinc/68/82/95/1137688295.db2.gz QNUDKJKTMACTRR-KRWDZBQOSA-N 0 1 333.815 3.628 20 10 EHCDMN CC(C)(C[NH2+]Cc1ccc(Br)cc1[O-])c1ccccn1 ZINC000826036620 1137711535 /nfs/dbraw/zinc/71/15/35/1137711535.db2.gz NBXNXDWWQDXAPK-UHFFFAOYSA-N 0 1 335.245 3.617 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000826130779 1137762072 /nfs/dbraw/zinc/76/20/72/1137762072.db2.gz MDAYFDJCDLUFMF-OAHLLOKOSA-N 0 1 334.213 3.516 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(Cl)cc1[O-] ZINC000883263684 1137851457 /nfs/dbraw/zinc/85/14/57/1137851457.db2.gz CMJPHORJEXKYAK-DZGCQCFKSA-N 0 1 339.863 3.672 20 10 EHCDMN CCN(Cc1cncs1)Cc1cc(Br)ccc1O ZINC000093866939 1138242058 /nfs/dbraw/zinc/24/20/58/1138242058.db2.gz IYFBTBWPLRXGIF-UHFFFAOYSA-N 0 1 327.247 3.633 20 10 EHCDMN C[C@@H](NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1nncn1C ZINC000264239008 1138451487 /nfs/dbraw/zinc/45/14/87/1138451487.db2.gz FLDCGUCYQNXXDI-CYBMUJFWSA-N 0 1 344.503 3.967 20 10 EHCDMN COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000175564532 1139500149 /nfs/dbraw/zinc/50/01/49/1139500149.db2.gz ATDQVJQFKDIHEI-NSHDSACASA-N 0 1 347.386 3.602 20 10 EHCDMN C[C@H](NCc1ccc(Cl)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178247457 1139681985 /nfs/dbraw/zinc/68/19/85/1139681985.db2.gz OENFIXBWCARLAC-ZDUSSCGKSA-N 0 1 349.837 3.562 20 10 EHCDMN Cc1cc(Cl)cc(CN(C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000180503500 1139840216 /nfs/dbraw/zinc/84/02/16/1139840216.db2.gz UHFBTWORYCAXBC-QFIPXVFZSA-N 0 1 337.872 3.723 20 10 EHCDMN C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000185465032 1140151533 /nfs/dbraw/zinc/15/15/33/1140151533.db2.gz RMVSFHPBEGIPQO-IAQYHMDHSA-N 0 1 336.229 3.539 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(Br)cc1[O-] ZINC000185534944 1140154180 /nfs/dbraw/zinc/15/41/80/1140154180.db2.gz SQGPVGKSBQHROI-PWFWHMEDSA-N 0 1 340.261 3.619 20 10 EHCDMN Cc1ccc(O)c([C@H](C)NCc2nccn2CCc2ccccc2)c1 ZINC000185661464 1140161812 /nfs/dbraw/zinc/16/18/12/1140161812.db2.gz KOPBBJBTWAHHQO-KRWDZBQOSA-N 0 1 335.451 3.991 20 10 EHCDMN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000185783416 1140169097 /nfs/dbraw/zinc/16/90/97/1140169097.db2.gz GNYXBVOEJFCEFK-GHMZBOCLSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000186075719 1140185712 /nfs/dbraw/zinc/18/57/12/1140185712.db2.gz KXMFNNUMVTVXQP-GHMZBOCLSA-N 0 1 330.266 3.602 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)ccc1[O-] ZINC000186136141 1140188260 /nfs/dbraw/zinc/18/82/60/1140188260.db2.gz JMZAHWSJLVJOPE-DETPVDSQSA-N 0 1 327.877 3.751 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc2ccccc2c1[O-] ZINC000186171688 1140190090 /nfs/dbraw/zinc/19/00/90/1140190090.db2.gz KXEOWPHMKAPUJC-NVXWUHKLSA-N 0 1 333.435 3.870 20 10 EHCDMN COc1ccsc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000271027225 1141296700 /nfs/dbraw/zinc/29/67/00/1141296700.db2.gz WRYUSAMFHYXBLA-OAHLLOKOSA-N 0 1 333.453 3.644 20 10 EHCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000271062204 1141302875 /nfs/dbraw/zinc/30/28/75/1141302875.db2.gz YIKIFSFAAGQJKC-UHFFFAOYSA-N 0 1 340.832 3.673 20 10 EHCDMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1N1CCCCC1 ZINC001594303172 957930960 /nfs/dbraw/zinc/93/09/60/957930960.db2.gz MDABVAXRUNNWSL-MAUKXSAKSA-N 0 1 330.472 3.528 20 10 EHCDMN CC(C)c1ccc(O)c(C[N@@H+](CCc2ccccc2)CC(=O)[O-])c1 ZINC001591973951 976582663 /nfs/dbraw/zinc/58/26/63/976582663.db2.gz LOLBLZWZTYKSNL-UHFFFAOYSA-N 0 1 327.424 3.645 20 10 EHCDMN COc1cc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001599407396 997346280 /nfs/dbraw/zinc/34/62/80/997346280.db2.gz LCPSYDOOCPALEB-MRXNPFEDSA-N 0 1 335.444 3.528 20 10 EHCDMN CC[N@H+](Cc1ccccc1O)Cc1c([O-])cccc1Br ZINC001140103305 1016744079 /nfs/dbraw/zinc/74/40/79/1016744079.db2.gz IXFJPGNPDODHLJ-UHFFFAOYSA-N 0 1 336.229 3.882 20 10 EHCDMN CC[N@@H+](Cc1ccccc1O)Cc1c([O-])cccc1Br ZINC001140103305 1016744089 /nfs/dbraw/zinc/74/40/89/1016744089.db2.gz IXFJPGNPDODHLJ-UHFFFAOYSA-N 0 1 336.229 3.882 20 10 EHCDMN Oc1cc2c(cc1CN1CCO[C@@H](c3ccsc3)C1)CCCC2 ZINC000160396288 1018707070 /nfs/dbraw/zinc/70/70/70/1018707070.db2.gz VSRAOZJVYNLRDK-LJQANCHMSA-N 0 1 329.465 3.906 20 10 EHCDMN CN(Cc1cnn(C)c1C1CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000891401150 1020918147 /nfs/dbraw/zinc/91/81/47/1020918147.db2.gz ZGJQXFKEYGMJML-UHFFFAOYSA-N 0 1 338.499 3.920 20 10 EHCDMN COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c(O)c1OC ZINC000894706925 1022776981 /nfs/dbraw/zinc/77/69/81/1022776981.db2.gz IWGKLUFUSADKFL-CMPLNLGQSA-N 0 1 333.350 3.572 20 10 EHCDMN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000721783129 1022816902 /nfs/dbraw/zinc/81/69/02/1022816902.db2.gz JDPSZWMCFKQVCS-DZGCQCFKSA-N 0 1 342.277 3.838 20 10 EHCDMN C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)s1)c1ccc(F)c(F)c1[O-] ZINC000276951709 1023460083 /nfs/dbraw/zinc/46/00/83/1023460083.db2.gz QTRJTAUPVJISPX-MRVPVSSYSA-N 0 1 327.400 3.670 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000897768995 1033157714 /nfs/dbraw/zinc/15/77/14/1033157714.db2.gz LBZHAIRMDKMMHC-FOGGPMGISA-N 0 1 346.279 3.989 20 10 EHCDMN COc1ccc(F)cc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000237184063 1024042187 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ZINC001191697721 1134908506 /nfs/dbraw/zinc/90/85/06/1134908506.db2.gz CCUZOXJASBDIKQ-UHFFFAOYSA-N 0 1 348.468 3.685 20 10 EHCDMN CC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775493191 1134945610 /nfs/dbraw/zinc/94/56/10/1134945610.db2.gz VENHEBLPNFVWJC-INIZCTEOSA-N 0 1 342.830 3.867 20 10 EHCDMN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000793608121 1134968631 /nfs/dbraw/zinc/96/86/31/1134968631.db2.gz HKDOIVQNNDXIJS-DYVFJYSZSA-N 0 1 347.842 3.556 20 10 EHCDMN CC[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775522894 1135001309 /nfs/dbraw/zinc/00/13/09/1135001309.db2.gz AZRXNZNQZRDVKQ-IEBWSBKVSA-N 0 1 331.843 3.920 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cccc(F)n1)c1cc(Br)ccc1[O-] ZINC000775524588 1135009312 /nfs/dbraw/zinc/00/93/12/1135009312.db2.gz RZYHEISKUZXLBB-CYBMUJFWSA-N 0 1 339.208 3.930 20 10 EHCDMN Cc1cccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1O ZINC000775641882 1135381120 /nfs/dbraw/zinc/38/11/20/1135381120.db2.gz DHNDUZYFZLIYJY-UHFFFAOYSA-N 0 1 330.403 3.689 20 10 EHCDMN Cc1cccc(CN(CC(=O)Nc2ccc(F)cc2)C(C)C)c1O ZINC000775641882 1135381125 /nfs/dbraw/zinc/38/11/25/1135381125.db2.gz DHNDUZYFZLIYJY-UHFFFAOYSA-N 0 1 330.403 3.689 20 10 EHCDMN NCc1ncccc1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195280217 1135404232 /nfs/dbraw/zinc/40/42/32/1135404232.db2.gz XPHLMMXSAODYNC-WCWDXBQESA-N 0 1 347.378 3.914 20 10 EHCDMN CCCn1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000806311028 1135424086 /nfs/dbraw/zinc/42/40/86/1135424086.db2.gz HJBKARXCGKWKGU-UHFFFAOYSA-N 0 1 343.214 3.627 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(C(F)(F)F)CC1 ZINC000807838989 1135575425 /nfs/dbraw/zinc/57/54/25/1135575425.db2.gz FCTKQHZARGOGKO-UHFFFAOYSA-N 0 1 328.117 3.658 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc2ccccc2n1 ZINC000807833861 1135579665 /nfs/dbraw/zinc/57/96/65/1135579665.db2.gz GUFRCSWUNNBFCC-UHFFFAOYSA-N 0 1 348.189 3.572 20 10 EHCDMN O=C(CC[C@@H]1CCCCO1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837565 1135580207 /nfs/dbraw/zinc/58/02/07/1135580207.db2.gz VPXRFHPGMNLHSU-LBPRGKRZSA-N 0 1 332.227 3.665 20 10 EHCDMN Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(Cl)n1 ZINC000807837874 1135581624 /nfs/dbraw/zinc/58/16/24/1135581624.db2.gz FPKDDYMXTWUSDZ-UHFFFAOYSA-N 0 1 345.613 3.986 20 10 EHCDMN CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000808722726 1135722719 /nfs/dbraw/zinc/72/27/19/1135722719.db2.gz GSDXNOPQNYWGJA-NSHDSACASA-N 0 1 330.266 3.868 20 10 EHCDMN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1F ZINC000775838756 1135797383 /nfs/dbraw/zinc/79/73/83/1135797383.db2.gz QUCCVWOFHJLSSL-LBPRGKRZSA-N 0 1 347.390 3.659 20 10 EHCDMN CSCC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC001198336933 1135802490 /nfs/dbraw/zinc/80/24/90/1135802490.db2.gz MSBFITRURYJGCF-UHFFFAOYSA-N 0 1 327.877 3.823 20 10 EHCDMN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C12CCCC2 ZINC000809560930 1135850736 /nfs/dbraw/zinc/85/07/36/1135850736.db2.gz UGRJMRJQCPPWPM-SJORKVTESA-N 0 1 335.419 3.561 20 10 EHCDMN C[C@H](NCc1cccc(Cl)c1O)c1noc(Cc2ccccc2)n1 ZINC000809658864 1135861604 /nfs/dbraw/zinc/86/16/04/1135861604.db2.gz YHYFFSVJSSPPMD-LBPRGKRZSA-N 0 1 343.814 3.870 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c(Cl)c1 ZINC001198970026 1135870847 /nfs/dbraw/zinc/87/08/47/1135870847.db2.gz SXUKPOJLULSCDC-KRWDZBQOSA-N 0 1 336.838 3.886 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)CO[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221954 1135939604 /nfs/dbraw/zinc/93/96/04/1135939604.db2.gz LNSWSVBLUDQMPP-ZLDLUXBVSA-N 0 1 347.377 3.646 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223478 1135940768 /nfs/dbraw/zinc/94/07/68/1135940768.db2.gz LXIKQMVMTYPGFK-XFBWCDHKSA-N 0 1 342.405 3.934 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209123 1135943412 /nfs/dbraw/zinc/94/34/12/1135943412.db2.gz MFHKHGOXUXESJG-SMDDNHRTSA-N 0 1 327.350 3.737 20 10 EHCDMN CC(C)[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C ZINC000776258169 1136108603 /nfs/dbraw/zinc/10/86/03/1136108603.db2.gz UNDCMOUXRHYKIN-CYBMUJFWSA-N 0 1 331.815 3.641 20 10 EHCDMN CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000850520704 1136276591 /nfs/dbraw/zinc/27/65/91/1136276591.db2.gz GNYIYVHEHCYQAX-DGCLKSJQSA-N 0 1 339.304 3.876 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccnc1C1CC1 ZINC000813683777 1136356170 /nfs/dbraw/zinc/35/61/70/1136356170.db2.gz CLPNXGCGIYVBOQ-UHFFFAOYSA-N 0 1 337.206 3.901 20 10 EHCDMN CC1(C)CN(Cc2cc(Cl)cc(F)c2O)C[C@@H](C(F)(F)F)O1 ZINC000814175525 1136411558 /nfs/dbraw/zinc/41/15/58/1136411558.db2.gz KEOGQTKOTVRMER-NSHDSACASA-N 0 1 341.732 3.726 20 10 EHCDMN CC[C@H]1CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000814179083 1136411857 /nfs/dbraw/zinc/41/18/57/1136411857.db2.gz PIYJXVSSMYJFHC-JTQLQIEISA-N 0 1 349.066 3.902 20 10 EHCDMN CCN(C(=O)CN(C)Cc1ccccc1O)[C@H](C)c1ccc(F)cc1 ZINC000111235812 1136524361 /nfs/dbraw/zinc/52/43/61/1136524361.db2.gz DGHFVSJFLNQKOD-OAHLLOKOSA-N 0 1 344.430 3.573 20 10 EHCDMN C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])c1cc[nH]c(=O)c1 ZINC000815642462 1136624825 /nfs/dbraw/zinc/62/48/25/1136624825.db2.gz CCXQJDWWGPRJBI-NXEZZACHSA-N 0 1 337.217 3.667 20 10 EHCDMN CCS[C@H]1CCCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000748049497 1136682903 /nfs/dbraw/zinc/68/29/03/1136682903.db2.gz DJQVJCWHVDVUAF-HNNXBMFYSA-N 0 1 325.449 3.842 20 10 EHCDMN CCS[C@H]1CCCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000748049497 1136682904 /nfs/dbraw/zinc/68/29/04/1136682904.db2.gz DJQVJCWHVDVUAF-HNNXBMFYSA-N 0 1 325.449 3.842 20 10 EHCDMN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816499049 1136727911 /nfs/dbraw/zinc/72/79/11/1136727911.db2.gz CMRGJNRDVHTYSH-SFHVURJKSA-N 0 1 340.467 3.674 20 10 EHCDMN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816499049 1136727913 /nfs/dbraw/zinc/72/79/13/1136727913.db2.gz CMRGJNRDVHTYSH-SFHVURJKSA-N 0 1 340.467 3.674 20 10 EHCDMN [O-]c1c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)ccc2ccccc21 ZINC000816557257 1136735879 /nfs/dbraw/zinc/73/58/79/1136735879.db2.gz JMXLYAINXKADLY-APWZRJJASA-N 0 1 329.465 3.690 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CNCc1nc(-c2ccccc2)no1 ZINC000816570455 1136738350 /nfs/dbraw/zinc/73/83/50/1136738350.db2.gz UYCQFWPNTYZXEI-UHFFFAOYSA-N 0 1 333.750 3.525 20 10 EHCDMN C[S@@](=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816614181 1136741601 /nfs/dbraw/zinc/74/16/01/1136741601.db2.gz PEEODLDTQMTOQJ-HSZRJFAPSA-N 0 1 325.433 3.573 20 10 EHCDMN [O-]c1c(C[NH2+]Cc2ccnc(N3CCCC3)c2)ccc2ccccc21 ZINC000816614360 1136741748 /nfs/dbraw/zinc/74/17/48/1136741748.db2.gz UNLDRNMJEFVQKS-UHFFFAOYSA-N 0 1 333.435 3.830 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)ccc2ccccc21 ZINC000816615433 1136741790 /nfs/dbraw/zinc/74/17/90/1136741790.db2.gz WFCLGZCECOHMAK-IRLDBZIGSA-N 0 1 333.431 3.801 20 10 EHCDMN Oc1c(Cl)cccc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816668400 1136745385 /nfs/dbraw/zinc/74/53/85/1136745385.db2.gz NFBZFBZHNFYLSE-UHFFFAOYSA-N 0 1 325.799 3.747 20 10 EHCDMN O=C(NCC[C@@H]1CC1(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000856881852 1136819789 /nfs/dbraw/zinc/81/97/89/1136819789.db2.gz NWQYGVNVWQYFAJ-MRVPVSSYSA-N 0 1 339.169 3.544 20 10 EHCDMN CCc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000857508165 1136877937 /nfs/dbraw/zinc/87/79/37/1136877937.db2.gz NTSPWNWOBMHLBX-UHFFFAOYSA-N 0 1 325.195 3.586 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cncc(Cl)c1 ZINC000857507692 1136878246 /nfs/dbraw/zinc/87/82/46/1136878246.db2.gz IASLSWRMPMOXHA-UHFFFAOYSA-N 0 1 331.586 3.677 20 10 EHCDMN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000776954508 1136901855 /nfs/dbraw/zinc/90/18/55/1136901855.db2.gz QPRYQVWSNFWQSY-GJZGRUSLSA-N 0 1 342.277 3.838 20 10 EHCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Br)CC1(Cl)Cl ZINC000858172779 1136946556 /nfs/dbraw/zinc/94/65/56/1136946556.db2.gz GEWVLINWFVROFH-LLVKDONJSA-N 0 1 339.060 3.828 20 10 EHCDMN COc1cccc2c1CC[C@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000858150250 1136944479 /nfs/dbraw/zinc/94/44/79/1136944479.db2.gz OZTKXHMWGPKJKV-OAHLLOKOSA-N 0 1 348.240 3.940 20 10 EHCDMN Oc1cccc(Br)c1CN[C@H]1COCc2ccccc21 ZINC000858179558 1136946782 /nfs/dbraw/zinc/94/67/82/1136946782.db2.gz OBALPTXWOCMRAE-HNNXBMFYSA-N 0 1 334.213 3.516 20 10 EHCDMN CC[N@H+](Cc1ccncc1C)Cc1cc(Br)ccc1[O-] ZINC000823478001 1137101658 /nfs/dbraw/zinc/10/16/58/1137101658.db2.gz YOEBMGGKQPSPFM-UHFFFAOYSA-N 0 1 335.245 3.880 20 10 EHCDMN CC[N@@H+](Cc1ccncc1C)Cc1cc(Br)ccc1[O-] ZINC000823478001 1137101659 /nfs/dbraw/zinc/10/16/59/1137101659.db2.gz YOEBMGGKQPSPFM-UHFFFAOYSA-N 0 1 335.245 3.880 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1[O-] ZINC000823660271 1137108358 /nfs/dbraw/zinc/10/83/58/1137108358.db2.gz IVNOMGZWZBRENW-IBGZPJMESA-N 0 1 347.430 3.515 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1[O-] ZINC000823660271 1137108359 /nfs/dbraw/zinc/10/83/59/1137108359.db2.gz IVNOMGZWZBRENW-IBGZPJMESA-N 0 1 347.430 3.515 20 10 EHCDMN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)ncc1Br ZINC000862210658 1137132429 /nfs/dbraw/zinc/13/24/29/1137132429.db2.gz RTNQZKAFGRRMGK-UHFFFAOYSA-N 0 1 348.288 3.851 20 10 EHCDMN CN(C)c1cc(F)c(CN(C)[C@@H](CCO)c2ccccc2)cc1F ZINC000862246298 1137135015 /nfs/dbraw/zinc/13/50/15/1137135015.db2.gz MBWOXTLJGAMNAV-SFHVURJKSA-N 0 1 334.410 3.586 20 10 EHCDMN CN(Cc1c(C2CC2)cnn1C)Cc1ccc(N2CCCCC2)cc1 ZINC000824474158 1137139093 /nfs/dbraw/zinc/13/90/93/1137139093.db2.gz JEFQCABXWHGKEG-UHFFFAOYSA-N 0 1 338.499 3.920 20 10 EHCDMN Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(Br)cc2[O-])nc1 ZINC000862480634 1137146450 /nfs/dbraw/zinc/14/64/50/1137146450.db2.gz GLGSSUPKKKPSGM-UHFFFAOYSA-N 0 1 349.272 3.926 20 10 EHCDMN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824696983 1137147286 /nfs/dbraw/zinc/14/72/86/1137147286.db2.gz WXJVMCKVEGRIOB-OAGGEKHMSA-N 0 1 339.863 3.570 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824696983 1137147287 /nfs/dbraw/zinc/14/72/87/1137147287.db2.gz WXJVMCKVEGRIOB-OAGGEKHMSA-N 0 1 339.863 3.570 20 10 EHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])CC1(C)C ZINC000824820296 1137153832 /nfs/dbraw/zinc/15/38/32/1137153832.db2.gz COMNGHMQHPGGRA-CQSZACIVSA-N 0 1 342.277 3.710 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCNc1ccccc1 ZINC000825037638 1137162729 /nfs/dbraw/zinc/16/27/29/1137162729.db2.gz GDOPLRYUBIRSRS-UHFFFAOYSA-N 0 1 335.245 3.747 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000825071166 1137164216 /nfs/dbraw/zinc/16/42/16/1137164216.db2.gz QENGYOVPDOWIHJ-UHFFFAOYSA-N 0 1 344.842 3.771 20 10 EHCDMN Oc1cc2c(cc1O)C[N@@H+](Cc1c[nH]c3cccc(F)c13)CCC2 ZINC001136986953 1137164929 /nfs/dbraw/zinc/16/49/29/1137164929.db2.gz BZDNDLIVAYZRRT-UHFFFAOYSA-N 0 1 326.371 3.667 20 10 EHCDMN Oc1cc2c(cc1O)CN(Cc1c[nH]c3cccc(F)c13)CCC2 ZINC001136986953 1137164931 /nfs/dbraw/zinc/16/49/31/1137164931.db2.gz BZDNDLIVAYZRRT-UHFFFAOYSA-N 0 1 326.371 3.667 20 10 EHCDMN COc1cc(C[NH2+]Cc2ccc(Br)cc2[O-])ccc1C ZINC000825156009 1137168379 /nfs/dbraw/zinc/16/83/79/1137168379.db2.gz NZHMNDXNNHGLBG-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000844921848 1137262939 /nfs/dbraw/zinc/26/29/39/1137262939.db2.gz VOAZPGAYPNLMJQ-FZMZJTMJSA-N 0 1 347.256 3.842 20 10 EHCDMN C[C@H]([NH2+]Cc1cccnc1F)c1ccc(Br)cc1[O-] ZINC000794830595 1137267755 /nfs/dbraw/zinc/26/77/55/1137267755.db2.gz YUPQIIWEKZCJSL-VIFPVBQESA-N 0 1 325.181 3.540 20 10 EHCDMN Oc1ccccc1CN(Cc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000120529502 1137280088 /nfs/dbraw/zinc/28/00/88/1137280088.db2.gz NUIQMEVOGOKJIN-QGZVFWFLSA-N 0 1 333.378 3.852 20 10 EHCDMN OCC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)c(F)c1 ZINC000865654219 1137302237 /nfs/dbraw/zinc/30/22/37/1137302237.db2.gz MAANLKNZMPYBSQ-QGZVFWFLSA-N 0 1 335.806 3.627 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2conc2Cc2ccccc2)c1 ZINC000845971538 1137322473 /nfs/dbraw/zinc/32/24/73/1137322473.db2.gz LAMFIPQAHYWJBK-AWEZNQCLSA-N 0 1 338.407 3.830 20 10 EHCDMN CC(C)(C)CC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000846057817 1137327585 /nfs/dbraw/zinc/32/75/85/1137327585.db2.gz JUSOULYJSOPXGD-UHFFFAOYSA-N 0 1 338.879 3.562 20 10 EHCDMN C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000846178363 1137339755 /nfs/dbraw/zinc/33/97/55/1137339755.db2.gz IFJDVIVJVLONOO-ORAYPTAESA-N 0 1 331.843 3.573 20 10 EHCDMN Cc1ncc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000866454117 1137356153 /nfs/dbraw/zinc/35/61/53/1137356153.db2.gz FNYAVBCPUZRRFD-STQMWFEESA-N 0 1 349.475 3.839 20 10 EHCDMN COCCCOCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000773271094 1137483622 /nfs/dbraw/zinc/48/36/22/1137483622.db2.gz JIHXCJNPLYXWCU-UHFFFAOYSA-N 0 1 343.423 3.777 20 10 EHCDMN COCCCOCC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000773271094 1137483623 /nfs/dbraw/zinc/48/36/23/1137483623.db2.gz JIHXCJNPLYXWCU-UHFFFAOYSA-N 0 1 343.423 3.777 20 10 EHCDMN C[C@H](N[C@@H](C)c1cc(O)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000872028693 1137566172 /nfs/dbraw/zinc/56/61/72/1137566172.db2.gz SAIFYUKZYKOWFY-GJZGRUSLSA-N 0 1 344.430 3.780 20 10 EHCDMN COCC(C)(C)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000872104433 1137571246 /nfs/dbraw/zinc/57/12/46/1137571246.db2.gz FIGPLQLCRFSRLQ-NSHDSACASA-N 0 1 330.266 3.868 20 10 EHCDMN CCCOc1ccc(CNC2(c3cc(C)no3)CCOCC2)cc1C ZINC000873143943 1137591266 /nfs/dbraw/zinc/59/12/66/1137591266.db2.gz AJXSRTMURFHBSP-UHFFFAOYSA-N 0 1 344.455 3.876 20 10 EHCDMN Cc1cc(C)c(NC(=O)CN(C)Cc2c(C)cccc2O)c(C)c1 ZINC000876590844 1137656421 /nfs/dbraw/zinc/65/64/21/1137656421.db2.gz DWFSZBCQUQEGAF-UHFFFAOYSA-N 0 1 326.440 3.696 20 10 EHCDMN Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])c(C)c1 ZINC000876591085 1137656557 /nfs/dbraw/zinc/65/65/57/1137656557.db2.gz IFNLXFAZYHZDHW-UHFFFAOYSA-N 0 1 348.393 3.666 20 10 EHCDMN Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c(C)c1 ZINC000876591085 1137656558 /nfs/dbraw/zinc/65/65/58/1137656558.db2.gz IFNLXFAZYHZDHW-UHFFFAOYSA-N 0 1 348.393 3.666 20 10 EHCDMN CCCOc1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000877171857 1137672322 /nfs/dbraw/zinc/67/23/22/1137672322.db2.gz GSVZMHZOTMRWLL-YADARESESA-N 0 1 345.508 3.993 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CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000050901697 1020660518 /nfs/dbraw/zinc/66/05/18/1020660518.db2.gz RTKGFUDIYRRPFP-KRWDZBQOSA-N 0 1 340.467 3.674 20 10 EHCDMN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000050901697 1020660525 /nfs/dbraw/zinc/66/05/25/1020660525.db2.gz RTKGFUDIYRRPFP-KRWDZBQOSA-N 0 1 340.467 3.674 20 10 EHCDMN CCc1ncc(CN[C@H](C)c2cc(Br)cc(C)c2O)o1 ZINC000834901324 1021088705 /nfs/dbraw/zinc/08/87/05/1021088705.db2.gz ZPNXZWVYLLCGAE-SNVBAGLBSA-N 0 1 339.233 3.864 20 10 EHCDMN CCOC(CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-])OCC ZINC000276520316 1021598739 /nfs/dbraw/zinc/59/87/39/1021598739.db2.gz MEQSCKUVTKDIIK-NSHDSACASA-N 0 1 346.265 3.595 20 10 EHCDMN CCCN(CCO)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255369880 1022077566 /nfs/dbraw/zinc/07/75/66/1022077566.db2.gz BYJJOOFMNYGJHJ-UHFFFAOYSA-N 0 1 340.427 3.745 20 10 EHCDMN C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc2ccccc2c1[O-] ZINC000277067942 1023733435 /nfs/dbraw/zinc/73/34/35/1023733435.db2.gz 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/nfs/dbraw/zinc/38/97/90/1033389790.db2.gz GLNVKEGBOBSOAG-UHFFFAOYSA-N 0 1 340.404 3.534 20 10 EHCDMN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000227022435 1033665809 /nfs/dbraw/zinc/66/58/09/1033665809.db2.gz GBOWLWAVJCNHBD-AWEZNQCLSA-N 0 1 340.851 3.535 20 10 EHCDMN CCC[C@](C)(O)C[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000229554641 1034247126 /nfs/dbraw/zinc/24/71/26/1034247126.db2.gz SGBNNUBUPNKEDY-HIFRSBDPSA-N 0 1 330.266 3.747 20 10 EHCDMN CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000229554290 1034247158 /nfs/dbraw/zinc/24/71/58/1034247158.db2.gz OMTJCKRCMJLNOQ-ZBFHGGJFSA-N 0 1 344.293 3.993 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cc(Br)ccc1[O-] ZINC000229556862 1034242472 /nfs/dbraw/zinc/24/24/72/1034242472.db2.gz VXXNJVKQUCJJKB-LNSITVRQSA-N 0 1 342.277 3.747 20 10 EHCDMN COC(=O)CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000179646367 1037875460 /nfs/dbraw/zinc/87/54/60/1037875460.db2.gz XEJNRXRWVKOAHI-MRXNPFEDSA-N 0 1 327.424 3.909 20 10 EHCDMN C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000756494383 1039243101 /nfs/dbraw/zinc/24/31/01/1039243101.db2.gz LTNUAXOGZHOPFI-FZMZJTMJSA-N 0 1 348.240 3.809 20 10 EHCDMN C[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])c1nccs1 ZINC000691502035 1133559834 /nfs/dbraw/zinc/55/98/34/1133559834.db2.gz SMAVBMJTYSLRRN-VIFPVBQESA-N 0 1 327.247 3.505 20 10 EHCDMN C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000185523616 1126921498 /nfs/dbraw/zinc/92/14/98/1126921498.db2.gz XSWCKDJQRWYNOT-HZPDHXFCSA-N 0 1 329.440 3.639 20 10 EHCDMN CC(C)N1CCC[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000764141307 1127450943 /nfs/dbraw/zinc/45/09/43/1127450943.db2.gz XRVUTPZJSHZHIC-HXUWFJFHSA-N 0 1 343.515 3.508 20 10 EHCDMN Cc1cc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)oc1C ZINC000282198942 1128063139 /nfs/dbraw/zinc/06/31/39/1128063139.db2.gz NUMFRPOYKWBUHZ-CQSZACIVSA-N 0 1 332.419 3.723 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2ccn(-c3ccccc3F)n2)c1 ZINC000186291185 1128377251 /nfs/dbraw/zinc/37/72/51/1128377251.db2.gz 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EHCDMN Cc1cc(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])ccc1N(C)C ZINC000851707184 1136400153 /nfs/dbraw/zinc/40/01/53/1136400153.db2.gz VKLVARUMLGDVPG-QUCCMNQESA-N 0 1 344.499 3.916 20 10 EHCDMN Cc1cc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000851707182 1136400586 /nfs/dbraw/zinc/40/05/86/1136400586.db2.gz VKLVARUMLGDVPG-AZUAARDMSA-N 0 1 344.499 3.916 20 10 EHCDMN CCc1nc([C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000851716523 1136400815 /nfs/dbraw/zinc/40/08/15/1136400815.db2.gz OBUNLOBWXXCWID-OAHLLOKOSA-N 0 1 327.476 3.550 20 10 EHCDMN CSC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000814179036 1136412346 /nfs/dbraw/zinc/41/23/46/1136412346.db2.gz NTIAQMDWPYMSKR-NSHDSACASA-N 0 1 330.291 3.730 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000852594306 1136469036 /nfs/dbraw/zinc/46/90/36/1136469036.db2.gz BGHDJTRXNZFKTI-KDOFPFPSSA-N 0 1 335.419 3.515 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000852594306 1136469039 /nfs/dbraw/zinc/46/90/39/1136469039.db2.gz BGHDJTRXNZFKTI-KDOFPFPSSA-N 0 1 335.419 3.515 20 10 EHCDMN C[C@H](NCc1ccc(Cl)o1)c1ccc(N2CCOCC2)c(F)c1 ZINC000776745643 1136621628 /nfs/dbraw/zinc/62/16/28/1136621628.db2.gz MTGVVQGQLZDDRW-LBPRGKRZSA-N 0 1 338.810 3.760 20 10 EHCDMN CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000815633116 1136622083 /nfs/dbraw/zinc/62/20/83/1136622083.db2.gz GQIIXODKBKMZRJ-HUUCEWRRSA-N 0 1 328.456 3.748 20 10 EHCDMN CN(Cc1nc2ccccc2n1C)Cc1cc(Cl)c(F)cc1O ZINC000816509901 1136728997 /nfs/dbraw/zinc/72/89/97/1136728997.db2.gz GHVUOPUZBAGKOI-UHFFFAOYSA-N 0 1 333.794 3.703 20 10 EHCDMN O=C(NCCC[NH2+]Cc1ccc2ccccc2c1[O-])c1cccs1 ZINC000816549962 1136732979 /nfs/dbraw/zinc/73/29/79/1136732979.db2.gz DJJOTYANVJPDKJ-UHFFFAOYSA-N 0 1 340.448 3.517 20 10 EHCDMN [O-]c1c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc2ccccc12 ZINC000816607666 1136741253 /nfs/dbraw/zinc/74/12/53/1136741253.db2.gz BHORWTOLGBERIK-HOCLYGCPSA-N 0 1 339.357 3.538 20 10 EHCDMN [O-]c1c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc2ccccc12 ZINC000816607666 1136741256 /nfs/dbraw/zinc/74/12/56/1136741256.db2.gz BHORWTOLGBERIK-HOCLYGCPSA-N 0 1 339.357 3.538 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H](CC(F)(F)F)C2)c1O ZINC000817281709 1136791593 /nfs/dbraw/zinc/79/15/93/1136791593.db2.gz NTGUQESQUBBGRE-NSHDSACASA-N 0 1 333.325 3.898 20 10 EHCDMN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000776954512 1136901714 /nfs/dbraw/zinc/90/17/14/1136901714.db2.gz QPRYQVWSNFWQSY-LSDHHAIUSA-N 0 1 342.277 3.838 20 10 EHCDMN Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc4ccccc4c3[O-])C2)nc1 ZINC000858012768 1136931142 /nfs/dbraw/zinc/93/11/42/1136931142.db2.gz LQDFMWJFECLTAU-GOSISDBHSA-N 0 1 334.419 3.902 20 10 EHCDMN Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)nc1 ZINC000858012768 1136931145 /nfs/dbraw/zinc/93/11/45/1136931145.db2.gz LQDFMWJFECLTAU-GOSISDBHSA-N 0 1 334.419 3.902 20 10 EHCDMN CC(C)n1cc([C@H](C)[NH2+]Cc2c([O-])cccc2Br)cn1 ZINC000858135253 1136942695 /nfs/dbraw/zinc/94/26/95/1136942695.db2.gz PTOXOTJUAJHAFC-NSHDSACASA-N 0 1 338.249 3.783 20 10 EHCDMN CC(C)n1cc([C@H](C)NCc2c(O)cccc2Br)cn1 ZINC000858135253 1136942698 /nfs/dbraw/zinc/94/26/98/1136942698.db2.gz PTOXOTJUAJHAFC-NSHDSACASA-N 0 1 338.249 3.783 20 10 EHCDMN C[C@H]1Oc2ccccc2[C@@H]1NCc1c(O)cccc1Br ZINC000858165464 1136945478 /nfs/dbraw/zinc/94/54/78/1136945478.db2.gz USEMXGMHMDNKHU-QLJPJBMISA-N 0 1 334.213 3.767 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000858173081 1136946685 /nfs/dbraw/zinc/94/66/85/1136946685.db2.gz QDNWLFJJSSKNKM-LBPRGKRZSA-N 0 1 340.261 3.594 20 10 EHCDMN C[C@H](NCc1ccnc(Cl)c1F)c1ccc(N2CCOCC2)cc1 ZINC000823729438 1137112279 /nfs/dbraw/zinc/11/22/79/1137112279.db2.gz GROJQNRGGJFYSX-ZDUSSCGKSA-N 0 1 349.837 3.562 20 10 EHCDMN CC(C)COC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862231025 1137133609 /nfs/dbraw/zinc/13/36/09/1137133609.db2.gz KXDDVKOOTKCDRU-UHFFFAOYSA-N 0 1 342.277 3.792 20 10 EHCDMN CC(C)[C@@H]1N(Cc2cc(F)c(N(C)C)cc2F)CC12CCOCC2 ZINC000862395225 1137142500 /nfs/dbraw/zinc/14/25/00/1137142500.db2.gz QCKCYBVRBHDMEM-SFHVURJKSA-N 0 1 338.442 3.668 20 10 EHCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000824635555 1137145333 /nfs/dbraw/zinc/14/53/33/1137145333.db2.gz HRCPPVZOVJYNEF-UYAOXDASSA-N 0 1 341.451 3.564 20 10 EHCDMN CN(C)[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825416616 1137177290 /nfs/dbraw/zinc/17/72/90/1137177290.db2.gz CZODQLLGBTWZCX-INIZCTEOSA-N 0 1 349.272 3.547 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1Cl ZINC000825450364 1137178049 /nfs/dbraw/zinc/17/80/49/1137178049.db2.gz DZLLCRSTISVRAJ-KSFYIVLOSA-N 0 1 337.872 3.563 20 10 EHCDMN CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825519737 1137180857 /nfs/dbraw/zinc/18/08/57/1137180857.db2.gz KRWYFKZWSKIOST-JTQLQIEISA-N 0 1 326.156 3.975 20 10 EHCDMN C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000863547903 1137191691 /nfs/dbraw/zinc/19/16/91/1137191691.db2.gz SCBXMHZEYKNMDS-YWVKMMECSA-N 0 1 347.684 3.599 20 10 EHCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000844936044 1137264060 /nfs/dbraw/zinc/26/40/60/1137264060.db2.gz HYCAAXKOGDOMKB-LJQANCHMSA-N 0 1 338.451 3.544 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000846058513 1137327610 /nfs/dbraw/zinc/32/76/10/1137327610.db2.gz QHZQCZGOPUKAIH-UHFFFAOYSA-N 0 1 327.758 3.979 20 10 EHCDMN CCn1cc(C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C(C)C)cn1 ZINC000846054826 1137330955 /nfs/dbraw/zinc/33/09/55/1137330955.db2.gz HCGSSFIINATESS-UHFFFAOYSA-N 0 1 325.815 3.812 20 10 EHCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1ccnn1C ZINC000866613002 1137369195 /nfs/dbraw/zinc/36/91/95/1137369195.db2.gz QIMUCRRWPSVTTN-LSDHHAIUSA-N 0 1 330.451 3.961 20 10 EHCDMN O=C(NCC[C@@H]1CCSC1)NCc1cc(Cl)cc(Cl)c1O ZINC000868825741 1137425196 /nfs/dbraw/zinc/42/51/96/1137425196.db2.gz JZGXTSJHCNKWCS-SECBINFHSA-N 0 1 349.283 3.641 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783032 1137512399 /nfs/dbraw/zinc/51/23/99/1137512399.db2.gz IQZASMXYDCBYSU-ZDUSSCGKSA-N 0 1 336.204 3.551 20 10 EHCDMN COc1ccc(N2CCN(Cc3ccnc4ccccc34)CC2)cc1 ZINC001204082560 1137534581 /nfs/dbraw/zinc/53/45/81/1137534581.db2.gz VDOLVUOUSJOHIS-UHFFFAOYSA-N 0 1 333.435 3.566 20 10 EHCDMN C[C@H](N[C@@H](C)c1cccc(O)c1F)c1ccc(N2CCOCC2)cc1 ZINC000872026097 1137565936 /nfs/dbraw/zinc/56/59/36/1137565936.db2.gz ARJLOQQSNIOOCD-GJZGRUSLSA-N 0 1 344.430 3.780 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000124088395 1137580296 /nfs/dbraw/zinc/58/02/96/1137580296.db2.gz YBYACYIFYXTPHD-UHFFFAOYSA-N 0 1 325.456 3.798 20 10 EHCDMN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nc(C)cs1 ZINC000877025601 1137668020 /nfs/dbraw/zinc/66/80/20/1137668020.db2.gz PJOFVINYTYDCAD-SFHVURJKSA-N 0 1 345.512 3.654 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000825935174 1137670876 /nfs/dbraw/zinc/67/08/76/1137670876.db2.gz OHMQSOXDHMIOND-UHFFFAOYSA-N 0 1 333.229 3.714 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000825935174 1137670877 /nfs/dbraw/zinc/67/08/77/1137670877.db2.gz OHMQSOXDHMIOND-UHFFFAOYSA-N 0 1 333.229 3.714 20 10 EHCDMN Cc1ccc(CN[C@H](c2nc(-c3cccnc3)no2)C(C)C)c(O)c1 ZINC000877148564 1137671589 /nfs/dbraw/zinc/67/15/89/1137671589.db2.gz NZEOCCBIHMXNOI-KRWDZBQOSA-N 0 1 338.411 3.633 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000877698460 1137686063 /nfs/dbraw/zinc/68/60/63/1137686063.db2.gz VRWVLNYOOJFSST-UHFFFAOYSA-N 0 1 348.240 3.517 20 10 EHCDMN CC(C)(C)c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000877734792 1137687174 /nfs/dbraw/zinc/68/71/74/1137687174.db2.gz GLUKBVUTFKQJCY-UHFFFAOYSA-N 0 1 342.483 3.828 20 10 EHCDMN CC(=O)Nc1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CC2 ZINC000877816322 1137691222 /nfs/dbraw/zinc/69/12/22/1137691222.db2.gz BXWFXTSCFYTMNF-UHFFFAOYSA-N 0 1 330.815 3.562 20 10 EHCDMN CC1(C)N[C@H](c2cc(Cl)cc(F)c2O)N(c2ccccc2)C1=O ZINC000877857558 1137693707 /nfs/dbraw/zinc/69/37/07/1137693707.db2.gz UMTPEQLYIODKBH-HNNXBMFYSA-N 0 1 334.778 3.598 20 10 EHCDMN Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)nc1Cl ZINC000877923472 1137695821 /nfs/dbraw/zinc/69/58/21/1137695821.db2.gz QRTVQTYARQFSFI-UHFFFAOYSA-N 0 1 345.874 3.512 20 10 EHCDMN Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1Cl ZINC000878358249 1137712525 /nfs/dbraw/zinc/71/25/25/1137712525.db2.gz MWIRSRDVJYBTMU-HNNXBMFYSA-N 0 1 345.874 3.731 20 10 EHCDMN CC(C)Oc1ccccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001137139612 1137734701 /nfs/dbraw/zinc/73/47/01/1137734701.db2.gz KXDKBTUHNHFGBL-UHFFFAOYSA-N 0 1 327.424 3.833 20 10 EHCDMN CCc1cc(NCc2cc(Cl)cc(Br)c2O)n(C)n1 ZINC000883035363 1137842321 /nfs/dbraw/zinc/84/23/21/1137842321.db2.gz ZOZOIWGDIGYZNC-UHFFFAOYSA-N 0 1 344.640 3.716 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cc(Cl)ccc1[O-] ZINC000883263570 1137851362 /nfs/dbraw/zinc/85/13/62/1137851362.db2.gz ZJAIIFWFZXKJJX-HIFRSBDPSA-N 0 1 339.863 3.672 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1ccc(Cl)cc1[O-] ZINC000886768851 1138136629 /nfs/dbraw/zinc/13/66/29/1138136629.db2.gz JTGYKWLSQDPODX-FRTWLMODSA-N 0 1 339.863 3.669 20 10 EHCDMN Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179570485 1139765248 /nfs/dbraw/zinc/76/52/48/1139765248.db2.gz KGPRJDSXTAXIMO-UHFFFAOYSA-N 0 1 332.831 3.733 20 10 EHCDMN CCOc1cccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000180717072 1139858782 /nfs/dbraw/zinc/85/87/82/1139858782.db2.gz RLFUFZGABIILRK-GFCCVEGCSA-N 0 1 331.387 3.983 20 10 EHCDMN CC[C@@](C)(NCc1cc(OC)c(OC)cc1O)c1nc(C)cs1 ZINC000182226591 1139959213 /nfs/dbraw/zinc/95/92/13/1139959213.db2.gz JYZXTLIRDLJCAH-QGZVFWFLSA-N 0 1 336.457 3.589 20 10 EHCDMN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185350143 1140145962 /nfs/dbraw/zinc/14/59/62/1140145962.db2.gz DISRQRGRLIXFNV-UWVGGRQHSA-N 0 1 338.249 3.608 20 10 EHCDMN CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185606132 1140158890 /nfs/dbraw/zinc/15/88/90/1140158890.db2.gz PDXPDFONSVMHMF-NEPJUHHUSA-N 0 1 330.266 3.604 20 10 EHCDMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccco1 ZINC000268865077 1141012284 /nfs/dbraw/zinc/01/22/84/1141012284.db2.gz NOQKJEUSWKGLIQ-QLFBSQMISA-N 0 1 332.419 3.883 20 10 EHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sccc1CN(C)C ZINC000271028962 1141296238 /nfs/dbraw/zinc/29/62/38/1141296238.db2.gz LJULPLVJEOFWJY-UHFFFAOYSA-N 0 1 345.512 3.538 20 10 EHCDMN COc1cccc(C2([NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])CC2)c1 ZINC000271670029 1141416127 /nfs/dbraw/zinc/41/61/27/1141416127.db2.gz CSMWLLQYIQXUJN-UHFFFAOYSA-N 0 1 329.371 3.521 20 10 EHCDMN CC[N@H+](CCCCCCO)Cc1cc(Br)ccc1[O-] ZINC000175776899 1016036446 /nfs/dbraw/zinc/03/64/46/1016036446.db2.gz KZYWMZXEUGJNPU-UHFFFAOYSA-N 0 1 330.266 3.529 20 10 EHCDMN CC[N@@H+](CCCCCCO)Cc1cc(Br)ccc1[O-] ZINC000175776899 1016036458 /nfs/dbraw/zinc/03/64/58/1016036458.db2.gz KZYWMZXEUGJNPU-UHFFFAOYSA-N 0 1 330.266 3.529 20 10 EHCDMN CN1CCN(c2ccc(CNc3ccc4sccc4n3)cc2)CC1 ZINC001167423115 1019734351 /nfs/dbraw/zinc/73/43/51/1019734351.db2.gz NQHVNIXVTKUYJT-UHFFFAOYSA-N 0 1 338.480 3.660 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)CCCCO)c1cc(Br)ccc1[O-] ZINC000295861507 1020554665 /nfs/dbraw/zinc/55/46/65/1020554665.db2.gz BNQYCNHYNHIQFK-SMDDNHRTSA-N 0 1 330.266 3.747 20 10 EHCDMN CCOC(CC[NH2+][C@H](C)c1ccc(Br)cc1[O-])OCC ZINC000276456489 1021395167 /nfs/dbraw/zinc/39/51/67/1021395167.db2.gz BMXWRSVKCHFMCQ-LLVKDONJSA-N 0 1 346.265 3.595 20 10 EHCDMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894421762 1022261039 /nfs/dbraw/zinc/26/10/39/1022261039.db2.gz GMJMHBTYGZAFSM-JTQLQIEISA-N 0 1 339.208 3.882 20 10 EHCDMN CC[C@H](C)c1nc([C@H](C)NCc2cc(Cl)cc(OC)c2O)n[nH]1 ZINC000277069129 1023735252 /nfs/dbraw/zinc/73/52/52/1023735252.db2.gz DUUAJJYNPQVQJA-UWVGGRQHSA-N 0 1 338.839 3.537 20 10 EHCDMN C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142520563 1033194704 /nfs/dbraw/zinc/19/47/04/1033194704.db2.gz LMRBBNYOURDAGL-UHFFFAOYSA-N 0 1 332.394 3.903 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000895659542 1024699026 /nfs/dbraw/zinc/69/90/26/1024699026.db2.gz ZODZISALYITHJJ-UHFFFAOYSA-N 0 1 340.261 3.690 20 10 EHCDMN C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cncs1 ZINC000897934651 1033235831 /nfs/dbraw/zinc/23/58/31/1033235831.db2.gz MSHXHIPEMIIUNS-ZDUSSCGKSA-N 0 1 346.456 3.892 20 10 EHCDMN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1ccc3ccccc3c1[O-])O2 ZINC000895820080 1024872207 /nfs/dbraw/zinc/87/22/07/1024872207.db2.gz MABCEUAZJYXRGW-QKSJRXBFSA-N 0 1 341.451 3.608 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000896424086 1025437354 /nfs/dbraw/zinc/43/73/54/1025437354.db2.gz XRLSLCHEESLEOA-CZUORRHYSA-N 0 1 325.742 3.746 20 10 EHCDMN C[C@H](c1ccccc1)N(CC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000176677174 1026427043 /nfs/dbraw/zinc/42/70/43/1026427043.db2.gz VWJKMSCIZTWHBR-MRXNPFEDSA-N 0 1 340.467 3.870 20 10 EHCDMN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000127125932 1027275792 /nfs/dbraw/zinc/27/57/92/1027275792.db2.gz DMMRMKFYBUJEAW-CYBMUJFWSA-N 0 1 342.830 3.819 20 10 EHCDMN C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000127125932 1027275803 /nfs/dbraw/zinc/27/58/03/1027275803.db2.gz DMMRMKFYBUJEAW-CYBMUJFWSA-N 0 1 342.830 3.819 20 10 EHCDMN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000127125932 1027275814 /nfs/dbraw/zinc/27/58/14/1027275814.db2.gz DMMRMKFYBUJEAW-CYBMUJFWSA-N 0 1 342.830 3.819 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc2ccccc2c1[O-] ZINC000273539505 1027484503 /nfs/dbraw/zinc/48/45/03/1027484503.db2.gz XZUBCVBYNYWTJU-HOCLYGCPSA-N 0 1 327.424 3.882 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cnc3onc(C)c3c2)cc1F ZINC000894252906 1027723726 /nfs/dbraw/zinc/72/37/26/1027723726.db2.gz SAKLECGRPLRLGM-UHFFFAOYSA-N 0 1 342.418 3.806 20 10 EHCDMN CCCN(Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1O ZINC000170779371 1033600653 /nfs/dbraw/zinc/60/06/53/1033600653.db2.gz JDUQQKMANOTBKI-UHFFFAOYSA-N 0 1 341.386 3.994 20 10 EHCDMN CC[C@@H]([NH2+]CC(C)(C)CCCO)c1cc(Br)ccc1[O-] ZINC000229560272 1034240242 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COc1cc(C)cc(CN2CCO[C@H](c3ccccc3C)C2)c1O ZINC000164405730 1037492529 /nfs/dbraw/zinc/49/25/29/1037492529.db2.gz GGQBSBCYAHRCOR-IBGZPJMESA-N 0 1 327.424 3.591 20 10 EHCDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183082360 1038667142 /nfs/dbraw/zinc/66/71/42/1038667142.db2.gz WSMHNDUAXMRAIU-LPHOPBHVSA-N 0 1 341.451 3.707 20 10 EHCDMN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc3ccccc3c1[O-])C2 ZINC000363858562 1038706513 /nfs/dbraw/zinc/70/65/13/1038706513.db2.gz DXYNOHUSMRPLNQ-CXAGYDPISA-N 0 1 333.435 3.852 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000274729039 1039331461 /nfs/dbraw/zinc/33/14/61/1039331461.db2.gz BIDAPYWNQQFSSR-QKCSRTOESA-N 0 1 328.250 3.763 20 10 EHCDMN C[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](c2ccsc2)O1 ZINC000894073392 1040050764 /nfs/dbraw/zinc/05/07/64/1040050764.db2.gz XJSCQSYNCUOKIM-ZUZCIYMTSA-N 0 1 325.380 3.694 20 10 EHCDMN COc1cc(NC(=O)c2c(F)ccc(O)c2O)cc(OC)c1C(C)C ZINC000828025079 1040428569 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CC[C@@H]([NH2+]CCc1nccs1)c1cc(Br)ccc1[O-] ZINC000063133479 1044155382 /nfs/dbraw/zinc/15/53/82/1044155382.db2.gz VALVPTGTAGPRMA-GFCCVEGCSA-N 0 1 341.274 3.895 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cc1Cl ZINC001659761105 1126263702 /nfs/dbraw/zinc/26/37/02/1126263702.db2.gz IQBUUOHUMIVBMS-GOSISDBHSA-N 0 1 337.822 3.576 20 10 EHCDMN Cc1cnc(Cl)c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000921593892 1127755899 /nfs/dbraw/zinc/75/58/99/1127755899.db2.gz VNUZHPLLWTWVIO-HNNXBMFYSA-N 0 1 345.874 3.731 20 10 EHCDMN COc1cccc(N2CC[C@H]([NH2+]Cc3c([O-])cc(C)cc3Cl)C2)c1 ZINC001649048605 1128008108 /nfs/dbraw/zinc/00/81/08/1128008108.db2.gz WQXUKZPWAZNIMH-AWEZNQCLSA-N 0 1 346.858 3.731 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282246968 1128129796 /nfs/dbraw/zinc/12/97/96/1128129796.db2.gz AYQPUCLXKXHYCO-HNNXBMFYSA-N 0 1 345.874 3.958 20 10 EHCDMN CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1cc(Br)ccc1[O-] ZINC000229565014 1120967924 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CCOC(=O)[C@H]1CC12CCC([N@@H+](CC)Cc1ccccc1[O-])CC2 ZINC001173622552 1132108100 /nfs/dbraw/zinc/10/81/00/1132108100.db2.gz KYQRTDHUACACRM-OHTSDLOESA-N 0 1 331.456 3.726 20 10 EHCDMN [O-]c1cc2ccccc2cc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173661932 1132115198 /nfs/dbraw/zinc/11/51/98/1132115198.db2.gz XURIMWXPFHVLEQ-UHFFFAOYSA-N 0 1 338.373 3.662 20 10 EHCDMN Cc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c(C)n1-c1cccc(C)c1 ZINC000766693158 1132752825 /nfs/dbraw/zinc/75/28/25/1132752825.db2.gz RXGVSOLJKONWAA-LJQANCHMSA-N 0 1 348.450 3.933 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000767728607 1133044713 /nfs/dbraw/zinc/04/47/13/1133044713.db2.gz QOLNUFZRZQYGSH-HNNXBMFYSA-N 0 1 348.240 3.507 20 10 EHCDMN CCOc1cccc(CN2CCN(c3ccccc3Cl)CC2)c1O ZINC000768140798 1133101469 /nfs/dbraw/zinc/10/14/69/1133101469.db2.gz KTNIJGSGSZYGQM-UHFFFAOYSA-N 0 1 346.858 3.767 20 10 EHCDMN COc1cccc(O)c1CN(C)Cc1ccccc1N1CCCC1 ZINC000768206963 1133107588 /nfs/dbraw/zinc/10/75/88/1133107588.db2.gz 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Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770304966 1133409136 /nfs/dbraw/zinc/40/91/36/1133409136.db2.gz OHYBWNQLPILGND-UHFFFAOYSA-N 0 1 344.198 3.578 20 10 EHCDMN Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770304966 1133409139 /nfs/dbraw/zinc/40/91/39/1133409139.db2.gz OHYBWNQLPILGND-UHFFFAOYSA-N 0 1 344.198 3.578 20 10 EHCDMN C[N@@H+](Cc1cnc2ccccn12)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203574232 1133838137 /nfs/dbraw/zinc/83/81/37/1133838137.db2.gz QOJLBWSYUIYJPH-UHFFFAOYSA-N 0 1 336.222 3.979 20 10 EHCDMN CN(C)c1ccc(C=Cc2ccc(NC(=O)c3ncc[nH]3)cc2)cc1 ZINC001187735628 1134378254 /nfs/dbraw/zinc/37/82/54/1134378254.db2.gz DLIXXAFAPJNQNW-ONEGZZNKSA-N 0 1 332.407 3.898 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000790935138 1134480617 /nfs/dbraw/zinc/48/06/17/1134480617.db2.gz VDTVTQLEKLSLSU-JSGCOSHPSA-N 0 1 342.277 3.589 20 10 EHCDMN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792174367 1134663374 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EHCDMN CN(C)c1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1F ZINC000793614012 1134972496 /nfs/dbraw/zinc/97/24/96/1134972496.db2.gz NVJQLKAGCHNDLG-CABCVRRESA-N 0 1 331.262 3.907 20 10 EHCDMN CCc1nn(C)c(OC)c1C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775519160 1134993001 /nfs/dbraw/zinc/99/30/01/1134993001.db2.gz IYQROVURFVZXNP-CQSZACIVSA-N 0 1 337.851 3.591 20 10 EHCDMN CC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(Cl)ccc1[O-] ZINC000775554775 1135069752 /nfs/dbraw/zinc/06/97/52/1135069752.db2.gz DEXLISLBJKZNLB-CQSZACIVSA-N 0 1 337.876 3.631 20 10 EHCDMN O=C(Nc1cc(Cl)cc(Cl)n1)c1cc(O)c(O)c(Cl)c1 ZINC001193589923 1135155832 /nfs/dbraw/zinc/15/58/32/1135155832.db2.gz SBQHFQNFUSVRLO-UHFFFAOYSA-N 0 1 333.558 3.705 20 10 EHCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc[nH]1 ZINC000805238686 1135247677 /nfs/dbraw/zinc/24/76/77/1135247677.db2.gz WWKBKELNHCQCAY-MRVPVSSYSA-N 0 1 328.199 3.588 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NOC1CCCCC1 ZINC000805315153 1135257837 /nfs/dbraw/zinc/25/78/37/1135257837.db2.gz LHBCFGARZUJLDQ-UHFFFAOYSA-N 0 1 333.215 3.763 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CCCCS1 ZINC000805380240 1135268404 /nfs/dbraw/zinc/26/84/04/1135268404.db2.gz IHAKTBSSNSYIIX-LLVKDONJSA-N 0 1 349.283 3.784 20 10 EHCDMN C[N@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](c2ccccc2)C1 ZINC000775633812 1135364105 /nfs/dbraw/zinc/36/41/05/1135364105.db2.gz LECZHAGEHRQWAM-QGZVFWFLSA-N 0 1 334.822 3.673 20 10 EHCDMN CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000775664567 1135439827 /nfs/dbraw/zinc/43/98/27/1135439827.db2.gz YKPBVAIPASHNHG-UHFFFAOYSA-N 0 1 348.805 3.701 20 10 EHCDMN CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000775664567 1135439830 /nfs/dbraw/zinc/43/98/30/1135439830.db2.gz YKPBVAIPASHNHG-UHFFFAOYSA-N 0 1 348.805 3.701 20 10 EHCDMN Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)n1 ZINC000807839860 1135576209 /nfs/dbraw/zinc/57/62/09/1135576209.db2.gz MQINOAMMSNVPBD-UHFFFAOYSA-N 0 1 325.195 3.641 20 10 EHCDMN CC(C)(C)n1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807833518 1135579381 /nfs/dbraw/zinc/57/93/81/1135579381.db2.gz AVQHTNRDFXIYIP-UHFFFAOYSA-N 0 1 342.226 3.581 20 10 EHCDMN Cc1nc(Cl)ccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835279 1135580555 /nfs/dbraw/zinc/58/05/55/1135580555.db2.gz CSTCWIIOLYSPNU-UHFFFAOYSA-N 0 1 345.613 3.986 20 10 EHCDMN COc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807835274 1135580784 /nfs/dbraw/zinc/58/07/84/1135580784.db2.gz CMSPHKPTSBVZJN-UHFFFAOYSA-N 0 1 326.179 3.638 20 10 EHCDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(Cl)cc(Cl)c1O ZINC000808089385 1135616429 /nfs/dbraw/zinc/61/64/29/1135616429.db2.gz RDCIKAHRRBZEHF-UHFFFAOYSA-N 0 1 345.186 3.744 20 10 EHCDMN Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(C)c1 ZINC000808115883 1135619756 /nfs/dbraw/zinc/61/97/56/1135619756.db2.gz XERJPIAILRVKPM-UHFFFAOYSA-N 0 1 343.807 3.911 20 10 EHCDMN CCCOc1ccc(CNC[C@H](n2cccn2)C(F)(F)F)cc1C ZINC001203241699 1135641187 /nfs/dbraw/zinc/64/11/87/1135641187.db2.gz DCCQRZKVXJITOG-INIZCTEOSA-N 0 1 341.377 3.874 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000808729635 1135723572 /nfs/dbraw/zinc/72/35/72/1135723572.db2.gz NBZWNDAYCLNJHE-DAYGRLMNSA-N 0 1 333.815 3.581 20 10 EHCDMN CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000809726657 1135880087 /nfs/dbraw/zinc/88/00/87/1135880087.db2.gz RRSXFVJYBOZDKB-CQSZACIVSA-N 0 1 340.851 3.536 20 10 EHCDMN CC[C@@H]([NH2+][C@H](CCO)CSC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220092 1135939461 /nfs/dbraw/zinc/93/94/61/1135939461.db2.gz PHJSTHVABPTHMZ-DGCLKSJQSA-N 0 1 337.407 3.566 20 10 EHCDMN CC[C@@H]([NH2+][C@H](CCOC)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810258125 1135949168 /nfs/dbraw/zinc/94/91/68/1135949168.db2.gz ZUTBSRLRJSXICO-TZMCWYRMSA-N 0 1 335.366 3.503 20 10 EHCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000811511479 1136102468 /nfs/dbraw/zinc/10/24/68/1136102468.db2.gz JSTWWLDBDDGHEG-AWEZNQCLSA-N 0 1 327.852 3.834 20 10 EHCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000811511479 1136102470 /nfs/dbraw/zinc/10/24/70/1136102470.db2.gz JSTWWLDBDDGHEG-AWEZNQCLSA-N 0 1 327.852 3.834 20 10 EHCDMN COc1ccc(N2CC[C@@H](NCc3csc(C(C)(C)C)n3)C2)cc1 ZINC000850345989 1136238267 /nfs/dbraw/zinc/23/82/67/1136238267.db2.gz PDDOGYQJOOZECM-CQSZACIVSA-N 0 1 345.512 3.818 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000812741084 1136240338 /nfs/dbraw/zinc/24/03/38/1136240338.db2.gz QEYQGOUNPSYBML-YPMHNXCESA-N 0 1 348.805 3.641 20 10 EHCDMN CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1)c1cc(Cl)ccc1[O-] ZINC000850501038 1136272587 /nfs/dbraw/zinc/27/25/87/1136272587.db2.gz JCZFKOSTWCJAQF-QIJZBDPFSA-N 0 1 341.879 3.652 20 10 EHCDMN COc1cccc(OC)c1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850505589 1136273197 /nfs/dbraw/zinc/27/31/97/1136273197.db2.gz SXJXJUFQBZNYJN-RISCZKNCSA-N 0 1 331.387 3.887 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(Br)cc1[O-] ZINC000850572007 1136289125 /nfs/dbraw/zinc/28/91/25/1136289125.db2.gz XTSKVEXLLVJBMS-WDEREUQCSA-N 0 1 328.250 3.620 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2ccccn2c1 ZINC000813682800 1136356328 /nfs/dbraw/zinc/35/63/28/1136356328.db2.gz KQKQPXYSVOSRLA-UHFFFAOYSA-N 0 1 335.190 3.882 20 10 EHCDMN C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cc(Cl)ccc1[O-] ZINC000813881899 1136372724 /nfs/dbraw/zinc/37/27/24/1136372724.db2.gz XMJIZNMHIIYVKA-GFCCVEGCSA-N 0 1 342.826 3.748 20 10 EHCDMN Cc1noc(CN(Cc2ccccc2O)C2CCCC2)c1[N+](=O)[O-] ZINC000851768678 1136406139 /nfs/dbraw/zinc/40/61/39/1136406139.db2.gz CPWVTWLZJDEDCA-UHFFFAOYSA-N 0 1 331.372 3.542 20 10 EHCDMN CN(Cc1n[nH]c(C(C)(C)C)n1)Cc1ccc(N2CCCCC2)cc1 ZINC000814616855 1136480727 /nfs/dbraw/zinc/48/07/27/1136480727.db2.gz AVXZJBUNXIALNB-UHFFFAOYSA-N 0 1 341.503 3.725 20 10 EHCDMN COc1cc(CN2CC3(CCOCC3)[C@H]2c2ccco2)c(O)cc1C ZINC000853550393 1136544066 /nfs/dbraw/zinc/54/40/66/1136544066.db2.gz MZXXBCKIQOISJQ-LJQANCHMSA-N 0 1 343.423 3.656 20 10 EHCDMN Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853610955 1136548863 /nfs/dbraw/zinc/54/88/63/1136548863.db2.gz VULJAFCKXTXDNT-DNVCBOLYSA-N 0 1 331.456 3.610 20 10 EHCDMN C[C@@H](NCc1cccc(O)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000815118419 1136551986 /nfs/dbraw/zinc/55/19/86/1136551986.db2.gz HHWIMFMNKFSSOA-CQSZACIVSA-N 0 1 346.858 3.733 20 10 EHCDMN CSCc1cnc(CNCCCSc2nccs2)s1 ZINC000815125351 1136554127 /nfs/dbraw/zinc/55/41/27/1136554127.db2.gz XMFJQWAZNUJYLZ-UHFFFAOYSA-N 0 1 331.557 3.735 20 10 EHCDMN CCN(C)c1ccc(CN(CCOC)Cc2scnc2C)cc1 ZINC000815104284 1136557030 /nfs/dbraw/zinc/55/70/30/1136557030.db2.gz GPWUMLLCCKYFPS-UHFFFAOYSA-N 0 1 333.501 3.556 20 10 EHCDMN COc1cc(Br)cc(CNc2cc3c(cn2)CCC3)c1O ZINC000815159535 1136558632 /nfs/dbraw/zinc/55/86/32/1136558632.db2.gz VLTJAYOJRUOOIM-UHFFFAOYSA-N 0 1 349.228 3.659 20 10 EHCDMN [O-]c1cccc2c(NCc3ccc(N4CCC(O)CC4)cc3)cc[nH+]c12 ZINC000853955117 1136576814 /nfs/dbraw/zinc/57/68/14/1136576814.db2.gz FNWUHGUTHOXCJV-UHFFFAOYSA-N 0 1 349.434 3.514 20 10 EHCDMN Cc1cc(C)c([C@H](C)NCc2nccn2CC(F)(F)F)c(O)c1 ZINC000815575615 1136613069 /nfs/dbraw/zinc/61/30/69/1136613069.db2.gz WGXOCMRDAJJZFW-LBPRGKRZSA-N 0 1 327.350 3.619 20 10 EHCDMN C[C@@H](Cc1ccco1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854473651 1136619074 /nfs/dbraw/zinc/61/90/74/1136619074.db2.gz CORZKSUEGGTBRU-VIFPVBQESA-N 0 1 328.195 3.787 20 10 EHCDMN Oc1c(C[N@H+]2CCCN(CC(F)(F)F)CC2)ccc2ccccc21 ZINC000816485016 1136723841 /nfs/dbraw/zinc/72/38/41/1136723841.db2.gz WPIGPQDZEPAPTH-UHFFFAOYSA-N 0 1 338.373 3.615 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)ccc2ccccc21 ZINC000816485016 1136723842 /nfs/dbraw/zinc/72/38/42/1136723842.db2.gz WPIGPQDZEPAPTH-UHFFFAOYSA-N 0 1 338.373 3.615 20 10 EHCDMN [O-]c1c(C[N@H+]2CCCN(CC(F)(F)F)CC2)ccc2ccccc21 ZINC000816485016 1136723843 /nfs/dbraw/zinc/72/38/43/1136723843.db2.gz WPIGPQDZEPAPTH-UHFFFAOYSA-N 0 1 338.373 3.615 20 10 EHCDMN Oc1c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521256 1136727087 /nfs/dbraw/zinc/72/70/87/1136727087.db2.gz KRMPHLQOUIKEAU-UWJYYQICSA-N 0 1 336.479 3.994 20 10 EHCDMN Oc1c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521256 1136727088 /nfs/dbraw/zinc/72/70/88/1136727088.db2.gz KRMPHLQOUIKEAU-UWJYYQICSA-N 0 1 336.479 3.994 20 10 EHCDMN CN(CCC[NH2+]Cc1ccc2ccccc2c1[O-])C(=O)OC(C)(C)C ZINC000816547937 1136732394 /nfs/dbraw/zinc/73/23/94/1136732394.db2.gz OKTVWYBFUQHOMO-UHFFFAOYSA-N 0 1 344.455 3.892 20 10 EHCDMN CC(C)OC(=O)N1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816551365 1136733252 /nfs/dbraw/zinc/73/32/52/1136733252.db2.gz YTJMVJQFAHYOQZ-UHFFFAOYSA-N 0 1 342.439 3.644 20 10 EHCDMN COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc3ccccc3c1[O-])CC2 ZINC000816565574 1136737338 /nfs/dbraw/zinc/73/73/38/1136737338.db2.gz UEESXPFGVOYAPZ-UHFFFAOYSA-N 0 1 347.414 3.890 20 10 EHCDMN COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc3ccccc3c1[O-])CC2 ZINC000816565574 1136737342 /nfs/dbraw/zinc/73/73/42/1136737342.db2.gz UEESXPFGVOYAPZ-UHFFFAOYSA-N 0 1 347.414 3.890 20 10 EHCDMN C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816602033 1136740175 /nfs/dbraw/zinc/74/01/75/1136740175.db2.gz GIRPRTNLZPHPCT-AWEZNQCLSA-N 0 1 344.455 3.938 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000816615992 1136741724 /nfs/dbraw/zinc/74/17/24/1136741724.db2.gz LNOYLYMJVOTOOW-CVEARBPZSA-N 0 1 325.811 3.718 20 10 EHCDMN COc1ccc(N2CC[C@H](CNCc3csc(C4CC4)n3)C2)cc1 ZINC000818219373 1136867124 /nfs/dbraw/zinc/86/71/24/1136867124.db2.gz CNAJAEOELCWCPO-CQSZACIVSA-N 0 1 343.496 3.645 20 10 EHCDMN CCOc1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858108554 1136940736 /nfs/dbraw/zinc/94/07/36/1136940736.db2.gz BYBIEIAEZUCQJG-UHFFFAOYSA-N 0 1 336.229 3.843 20 10 EHCDMN C[C@H](CCc1cccn1C)[NH2+]Cc1c([O-])cccc1Br ZINC000858146687 1136943756 /nfs/dbraw/zinc/94/37/56/1136943756.db2.gz LHTAGBQJVBHASH-GFCCVEGCSA-N 0 1 337.261 3.604 20 10 EHCDMN Cc1ccc(O)c(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000858236969 1136951539 /nfs/dbraw/zinc/95/15/39/1136951539.db2.gz BXIJDHHDGLXFQD-UHFFFAOYSA-N 0 1 338.310 3.500 20 10 EHCDMN CCN(CC)c1ccc(CNC2(c3cc(C)no3)CCOCC2)cc1 ZINC000858325842 1136958347 /nfs/dbraw/zinc/95/83/47/1136958347.db2.gz OFPBXGDHPMFOIG-UHFFFAOYSA-N 0 1 343.471 3.625 20 10 EHCDMN Cc1ncccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858518160 1136975710 /nfs/dbraw/zinc/97/57/10/1136975710.db2.gz FREVPUQCNATAJY-HNNXBMFYSA-N 0 1 345.874 3.731 20 10 EHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NC(C)(C)CC)cc1 ZINC000862023661 1137127420 /nfs/dbraw/zinc/12/74/20/1137127420.db2.gz FSAFDSWURVSPLY-MRXNPFEDSA-N 0 1 333.520 3.658 20 10 EHCDMN Cc1cc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccn1 ZINC000824596381 1137144409 /nfs/dbraw/zinc/14/44/09/1137144409.db2.gz IUBNPPVKWDOOAG-UHFFFAOYSA-N 0 1 340.427 3.578 20 10 EHCDMN CCCO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824777234 1137151581 /nfs/dbraw/zinc/15/15/81/1137151581.db2.gz MCBYJJLAEJOORS-OAHLLOKOSA-N 0 1 342.277 3.936 20 10 EHCDMN CCCO[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824777234 1137151582 /nfs/dbraw/zinc/15/15/82/1137151582.db2.gz MCBYJJLAEJOORS-OAHLLOKOSA-N 0 1 342.277 3.936 20 10 EHCDMN Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825037841 1137162758 /nfs/dbraw/zinc/16/27/58/1137162758.db2.gz JUYVAQIFVBCAOE-HNNXBMFYSA-N 0 1 348.240 3.995 20 10 EHCDMN CCOc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825138843 1137166850 /nfs/dbraw/zinc/16/68/50/1137166850.db2.gz ZEKXNXWTEFHJPW-UHFFFAOYSA-N 0 1 336.229 3.843 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCc1ccc(O)cc1 ZINC000825279383 1137171276 /nfs/dbraw/zinc/17/12/76/1137171276.db2.gz UQOFWRRKRZJEBI-UHFFFAOYSA-N 0 1 336.229 3.583 20 10 EHCDMN Oc1c(F)c(F)ccc1CNc1cc2c(cc1Cl)OCCO2 ZINC000864031264 1137212477 /nfs/dbraw/zinc/21/24/77/1137212477.db2.gz YBNQRTVSMUBBJQ-UHFFFAOYSA-N 0 1 327.714 3.707 20 10 EHCDMN Oc1cc(F)c(Br)cc1CN1CC2(C1)CC(F)(F)C2 ZINC001144299286 1137268435 /nfs/dbraw/zinc/26/84/35/1137268435.db2.gz UUYAHNYBJVOQBV-UHFFFAOYSA-N 0 1 336.151 3.525 20 10 EHCDMN CN(C)c1ccc(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000865655061 1137302105 /nfs/dbraw/zinc/30/21/05/1137302105.db2.gz ZSVALTKLAXUOBD-KRWDZBQOSA-N 0 1 338.373 3.595 20 10 EHCDMN CN(C)c1ccc(CNCc2ccnc(F)c2)c(C(F)(F)F)c1 ZINC000865722726 1137306618 /nfs/dbraw/zinc/30/66/18/1137306618.db2.gz PLNBAWWHRZIFHE-UHFFFAOYSA-N 0 1 327.325 3.595 20 10 EHCDMN CN(C)c1ccc(CN2CCC(C3(O)CC3)CC2)c(C(F)(F)F)c1 ZINC000846007364 1137325156 /nfs/dbraw/zinc/32/51/56/1137325156.db2.gz GOVISYFAYKSYRW-UHFFFAOYSA-N 0 1 342.405 3.508 20 10 EHCDMN Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000846056731 1137327198 /nfs/dbraw/zinc/32/71/98/1137327198.db2.gz YNBABLGGRXHEDB-CYBMUJFWSA-N 0 1 332.831 3.861 20 10 EHCDMN CCN(CC)c1ccc(CN(C)Cc2cnc(CCOC)s2)cc1 ZINC000876551149 1137655279 /nfs/dbraw/zinc/65/52/79/1137655279.db2.gz LZDRYJUSPARZRK-UHFFFAOYSA-N 0 1 347.528 3.810 20 10 EHCDMN C[C@@]12CC[N@H+](Cc3ccc(Br)cc3[O-])C[C@@H]1C2(F)F ZINC000825955385 1137674214 /nfs/dbraw/zinc/67/42/14/1137674214.db2.gz LZIABYWTKMWIHU-QWHCGFSZSA-N 0 1 332.188 3.632 20 10 EHCDMN C[C@@]12CC[N@@H+](Cc3ccc(Br)cc3[O-])C[C@@H]1C2(F)F ZINC000825955385 1137674215 /nfs/dbraw/zinc/67/42/15/1137674215.db2.gz LZIABYWTKMWIHU-QWHCGFSZSA-N 0 1 332.188 3.632 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)cc1Cl ZINC000877669071 1137685077 /nfs/dbraw/zinc/68/50/77/1137685077.db2.gz YQXRSDUTVLFRAO-UHFFFAOYSA-N 0 1 347.842 3.863 20 10 EHCDMN Cc1ncc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000877685089 1137685853 /nfs/dbraw/zinc/68/58/53/1137685853.db2.gz LGWZZJYRGNRJKS-MRVPVSSYSA-N 0 1 327.247 3.770 20 10 EHCDMN COc1ccc(O)c(CNCc2ccccc2C(=O)OC(C)(C)C)c1 ZINC000877698073 1137686157 /nfs/dbraw/zinc/68/61/57/1137686157.db2.gz GZKLSHGIMVUMET-UHFFFAOYSA-N 0 1 343.423 3.646 20 10 EHCDMN O=C1N[C@H](c2cc(Cl)cc(Cl)c2O)Nc2cc(F)c(F)cc21 ZINC000877860360 1137693924 /nfs/dbraw/zinc/69/39/24/1137693924.db2.gz YSUOCZMQLPJTRW-CYBMUJFWSA-N 0 1 345.132 3.831 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c1[O-] ZINC000878756585 1137727302 /nfs/dbraw/zinc/72/73/02/1137727302.db2.gz PSZCKSUGIYXFEM-OAHLLOKOSA-N 0 1 328.387 3.509 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1[O-] ZINC000878756585 1137727303 /nfs/dbraw/zinc/72/73/03/1137727303.db2.gz PSZCKSUGIYXFEM-OAHLLOKOSA-N 0 1 328.387 3.509 20 10 EHCDMN CCN(CC)C(=O)[C@H](N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000879651902 1137753964 /nfs/dbraw/zinc/75/39/64/1137753964.db2.gz OOPVWICULGKEDC-HNAYVOBHSA-N 0 1 326.440 3.653 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000826143137 1137768633 /nfs/dbraw/zinc/76/86/33/1137768633.db2.gz SZOGZXFCLZLEOV-ZDUSSCGKSA-N 0 1 332.188 3.776 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000826143137 1137768634 /nfs/dbraw/zinc/76/86/34/1137768634.db2.gz SZOGZXFCLZLEOV-ZDUSSCGKSA-N 0 1 332.188 3.776 20 10 EHCDMN CC(C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109772990 1137897532 /nfs/dbraw/zinc/89/75/32/1137897532.db2.gz OGWZRGMNGXISFT-OAHLLOKOSA-N 0 1 326.440 3.975 20 10 EHCDMN COc1ccc(N2CCN(Cc3ccc4cc(C)ccc4n3)CC2)cc1 ZINC001137209786 1137960193 /nfs/dbraw/zinc/96/01/93/1137960193.db2.gz SRJDYTLIDZSIQK-UHFFFAOYSA-N 0 1 347.462 3.874 20 10 EHCDMN Oc1cc2c(cc1CNC1(c3ccc(F)cc3F)CCC1)OCO2 ZINC000136136448 1138019490 /nfs/dbraw/zinc/01/94/90/1138019490.db2.gz GAVVSBDGGUZDPC-UHFFFAOYSA-N 0 1 333.334 3.568 20 10 EHCDMN Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000091832808 1138222100 /nfs/dbraw/zinc/22/21/00/1138222100.db2.gz KANPBUXJGFLNPZ-SNVBAGLBSA-N 0 1 342.226 3.770 20 10 EHCDMN CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1O ZINC000092705035 1138230552 /nfs/dbraw/zinc/23/05/52/1138230552.db2.gz NJTHXUZXQUGDPS-UHFFFAOYSA-N 0 1 345.439 3.830 20 10 EHCDMN OC[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000265267603 1138789002 /nfs/dbraw/zinc/78/90/02/1138789002.db2.gz SLBJJGZWPXCKMH-FQEVSTJZSA-N 0 1 328.431 3.639 20 10 EHCDMN Oc1ccccc1CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000179584342 1139766275 /nfs/dbraw/zinc/76/62/75/1139766275.db2.gz SZAFVIGOPOXOPR-KRWDZBQOSA-N 0 1 335.350 3.567 20 10 EHCDMN CC[N@@H+](Cc1ccccc1[O-])CC1CCN(c2ccccn2)CC1 ZINC000179578319 1139766626 /nfs/dbraw/zinc/76/66/26/1139766626.db2.gz ZMOQSGQWUDJVIS-UHFFFAOYSA-N 0 1 325.456 3.526 20 10 EHCDMN CC[N@H+](Cc1ccccc1[O-])CC1CCN(c2ccccn2)CC1 ZINC000179578319 1139766628 /nfs/dbraw/zinc/76/66/28/1139766628.db2.gz ZMOQSGQWUDJVIS-UHFFFAOYSA-N 0 1 325.456 3.526 20 10 EHCDMN COc1cccc([C@H]2CN(Cc3cccc(Cl)c3O)CCO2)c1 ZINC000180047943 1139804432 /nfs/dbraw/zinc/80/44/32/1139804432.db2.gz FDXXZJQBURJUHF-QGZVFWFLSA-N 0 1 333.815 3.628 20 10 EHCDMN COc1cccc([C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCO2)c1 ZINC000180047943 1139804438 /nfs/dbraw/zinc/80/44/38/1139804438.db2.gz FDXXZJQBURJUHF-QGZVFWFLSA-N 0 1 333.815 3.628 20 10 EHCDMN COc1cccc([C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)c1 ZINC000180047943 1139804444 /nfs/dbraw/zinc/80/44/44/1139804444.db2.gz FDXXZJQBURJUHF-QGZVFWFLSA-N 0 1 333.815 3.628 20 10 EHCDMN C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(Cl)ccc1[O-] ZINC000184979540 1140129213 /nfs/dbraw/zinc/12/92/13/1140129213.db2.gz LIPPYNIQKFXGSI-GFCCVEGCSA-N 0 1 348.830 3.594 20 10 EHCDMN COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000185312691 1140144699 /nfs/dbraw/zinc/14/46/99/1140144699.db2.gz CFHVWTSRFZPJKZ-HUUCEWRRSA-N 0 1 344.430 3.717 20 10 EHCDMN Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185348207 1140145782 /nfs/dbraw/zinc/14/57/82/1140145782.db2.gz VFTRUDJXYHEADF-NXEZZACHSA-N 0 1 338.249 3.608 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Br)ccc1[O-] ZINC000185771729 1140168428 /nfs/dbraw/zinc/16/84/28/1140168428.db2.gz QODYQPKYJQLVPI-UUFMSHNVSA-N 0 1 340.261 3.763 20 10 EHCDMN COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185825689 1140172239 /nfs/dbraw/zinc/17/22/39/1140172239.db2.gz HSSWMBVZAGVOAJ-SJCJKPOMSA-N 0 1 335.831 3.829 20 10 EHCDMN C[C@H]([NH2+]CCCc1ccccn1)c1cc(Br)ccc1[O-] ZINC000186140421 1140188142 /nfs/dbraw/zinc/18/81/42/1140188142.db2.gz YSEPZOCIIZNVFA-LBPRGKRZSA-N 0 1 335.245 3.833 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)ccc1[O-] ZINC000186136109 1140188338 /nfs/dbraw/zinc/18/83/38/1140188338.db2.gz JMZAHWSJLVJOPE-NORZTCDRSA-N 0 1 327.877 3.751 20 10 EHCDMN Fc1cc(CNCc2sccc2Cl)ccc1N1CCOCC1 ZINC000193012463 1140559957 /nfs/dbraw/zinc/55/99/57/1140559957.db2.gz TWBIPWTYDICKGF-UHFFFAOYSA-N 0 1 340.851 3.667 20 10 EHCDMN CCCCCC(=O)NC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000271178097 1141319348 /nfs/dbraw/zinc/31/93/48/1141319348.db2.gz OBYMRDYMYUXOTJ-UHFFFAOYSA-N 0 1 338.879 3.707 20 10 EHCDMN C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc2ccccc2c1[O-] ZINC000274455326 1141534549 /nfs/dbraw/zinc/53/45/49/1141534549.db2.gz ZMZZRVDBDSPQMT-ZDUSSCGKSA-N 0 1 339.464 3.741 20 10 EHCDMN Cc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1C ZINC000738463457 600685818 /nfs/dbraw/zinc/68/58/18/600685818.db2.gz FDFVRDJWLZSPBQ-MRXNPFEDSA-N 0 1 327.424 3.732 20 10 EHCDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000833420672 604864036 /nfs/dbraw/zinc/86/40/36/604864036.db2.gz XZRLYRWLYFQCJC-KRWDZBQOSA-N 0 1 331.456 3.594 20 10 EHCDMN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@@H]1CCCCO1 ZINC000708147230 1028176261 /nfs/dbraw/zinc/17/62/61/1028176261.db2.gz WEUSYDPSKMTPPI-LBPRGKRZSA-N 0 1 348.668 3.809 20 10 EHCDMN CCC(CC)(C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C(=O)[O-] ZINC001595077611 979354012 /nfs/dbraw/zinc/35/40/12/979354012.db2.gz HSJGICZTZQRUAE-SNVBAGLBSA-N 0 1 333.350 3.953 20 10 EHCDMN CCc1cccc(C[N@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1O ZINC001597586838 988406549 /nfs/dbraw/zinc/40/65/49/988406549.db2.gz LUMMZOOCNBHDNS-CQSZACIVSA-N 0 1 346.452 3.755 20 10 EHCDMN CCN(CC)c1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000274965685 1015689722 /nfs/dbraw/zinc/68/97/22/1015689722.db2.gz VIRZWDSVQPOWJU-IBGZPJMESA-N 0 1 335.455 3.530 20 10 EHCDMN FC(F)(F)c1nc(CNCCCSc2nccs2)cs1 ZINC000893044442 1018260906 /nfs/dbraw/zinc/26/09/06/1018260906.db2.gz IBAGUVMRHPQWKR-UHFFFAOYSA-N 0 1 339.433 3.890 20 10 EHCDMN C[NH+](C)Cc1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000048796055 1022893672 /nfs/dbraw/zinc/89/36/72/1022893672.db2.gz BXPODMDVQRIWDR-UHFFFAOYSA-N 0 1 335.245 3.828 20 10 EHCDMN CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccs1 ZINC000835058867 1023309772 /nfs/dbraw/zinc/30/97/72/1023309772.db2.gz VNQMGFCPOIOIFY-HNNXBMFYSA-N 0 1 325.861 3.957 20 10 EHCDMN C[C@H]1CCCN(c2ccc(CNCc3cncn3C)cc2Cl)C1 ZINC000281881269 1025631874 /nfs/dbraw/zinc/63/18/74/1025631874.db2.gz DFUCCNMQLWPSAW-AWEZNQCLSA-N 0 1 332.879 3.600 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1[O-] ZINC000273500891 1027461829 /nfs/dbraw/zinc/46/18/29/1027461829.db2.gz QAUAMLNXUOMISZ-YPMHNXCESA-N 0 1 340.261 3.907 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1[O-] ZINC000273500889 1027462837 /nfs/dbraw/zinc/46/28/37/1027462837.db2.gz QAUAMLNXUOMISZ-WCQYABFASA-N 0 1 340.261 3.907 20 10 EHCDMN CC[C@H](N[C@@H](C)c1ccc(C)cc1O)c1nnc2n1CCCCC2 ZINC000273552556 1027488096 /nfs/dbraw/zinc/48/80/96/1027488096.db2.gz GEFWKRIFEDYAKN-HOCLYGCPSA-N 0 1 328.460 3.820 20 10 EHCDMN CC(=O)NC1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000273610786 1027518463 /nfs/dbraw/zinc/51/84/63/1027518463.db2.gz VSZAKMDRRVGLKQ-NVPAJSRCSA-N 0 1 326.440 3.643 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(Cl)c1 ZINC000840947084 1027887594 /nfs/dbraw/zinc/88/75/94/1027887594.db2.gz LIRWJZBMLGUYGN-CQSZACIVSA-N 0 1 337.769 3.633 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(Cl)c1 ZINC000840947084 1027887599 /nfs/dbraw/zinc/88/75/99/1027887599.db2.gz LIRWJZBMLGUYGN-CQSZACIVSA-N 0 1 337.769 3.633 20 10 EHCDMN CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185605088 1028387733 /nfs/dbraw/zinc/38/77/33/1028387733.db2.gz OQKKULQIRYTOLK-NEPJUHHUSA-N 0 1 330.266 3.604 20 10 EHCDMN Oc1ccccc1CN[C@@H]1COc2cc(F)c(Br)cc21 ZINC000367260568 1029254828 /nfs/dbraw/zinc/25/48/28/1029254828.db2.gz PZJOXJNHPDRMJF-CYBMUJFWSA-N 0 1 338.176 3.517 20 10 EHCDMN COc1ccc(N2CCCN(Cc3nc4ccccc4o3)CC2)cc1 ZINC000052466094 1030282917 /nfs/dbraw/zinc/28/29/17/1030282917.db2.gz HZTBOHXCQZQFKU-UHFFFAOYSA-N 0 1 337.423 3.549 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2nnc(-c3ccccc3)s2)c1 ZINC000120204765 1037928903 /nfs/dbraw/zinc/92/89/03/1037928903.db2.gz HQGLSYJNRWJZSJ-LBPRGKRZSA-N 0 1 341.436 3.770 20 10 EHCDMN Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc3ccccc3c1[O-])C2 ZINC000363858565 1038707644 /nfs/dbraw/zinc/70/76/44/1038707644.db2.gz DXYNOHUSMRPLNQ-DYVFJYSZSA-N 0 1 333.435 3.852 20 10 EHCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])N1CCCCC1 ZINC000756442372 1038769573 /nfs/dbraw/zinc/76/95/73/1038769573.db2.gz OWVXXBISAQBMMD-STQMWFEESA-N 0 1 341.293 3.680 20 10 EHCDMN Cc1noc(C)c1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000924709694 1039614779 /nfs/dbraw/zinc/61/47/79/1039614779.db2.gz YZRKZKLHAZSMEX-CYBMUJFWSA-N 0 1 331.485 3.695 20 10 EHCDMN CCOc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCO2 ZINC000178403730 1041977854 /nfs/dbraw/zinc/97/78/54/1041977854.db2.gz DAYATUUXDKYVPX-SFHVURJKSA-N 0 1 325.408 3.634 20 10 EHCDMN COc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1F ZINC000182032683 1043109004 /nfs/dbraw/zinc/10/90/04/1043109004.db2.gz MSTHEMXCJCQPQG-JTQLQIEISA-N 0 1 335.350 3.732 20 10 EHCDMN COc1ccc2c(c1)CN(Cc1cccc(Br)c1O)C2 ZINC000692922087 1044181070 /nfs/dbraw/zinc/18/10/70/1044181070.db2.gz YIFLMFSRZVEHAA-UHFFFAOYSA-N 0 1 334.213 3.679 20 10 EHCDMN COc1ccc(N2CCN(Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000763806413 1126865959 /nfs/dbraw/zinc/86/59/59/1126865959.db2.gz CRYCUQBHOWPTCS-UHFFFAOYSA-N 0 1 332.394 3.955 20 10 EHCDMN CCOc1cccc(CNC(C)(C)c2nc3ccccc3n2C)c1O ZINC000185642860 1126965284 /nfs/dbraw/zinc/96/52/84/1126965284.db2.gz DYQUQDDRDQBPEQ-UHFFFAOYSA-N 0 1 339.439 3.703 20 10 EHCDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccoc1 ZINC000765124272 1127578413 /nfs/dbraw/zinc/57/84/13/1127578413.db2.gz AEMFTRGUEACLIN-ZNMIVQPWSA-N 0 1 332.419 3.883 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1cc(Br)ccc1[O-] ZINC000186189145 1128080684 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3.824 20 10 EHCDMN Oc1ccccc1CN(Cc1cncc(Cl)c1)C[C@H]1CCCO1 ZINC000856730482 1136804255 /nfs/dbraw/zinc/80/42/55/1136804255.db2.gz CYYLKCPOIDPQKW-QGZVFWFLSA-N 0 1 332.831 3.622 20 10 EHCDMN CCC(C)(C)NC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000857758601 1136905713 /nfs/dbraw/zinc/90/57/13/1136905713.db2.gz MRAFXEHBARXWPO-KRWDZBQOSA-N 0 1 345.531 3.802 20 10 EHCDMN Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC000858012668 1136931200 /nfs/dbraw/zinc/93/12/00/1136931200.db2.gz KQBYIUSRBASPPI-CQSZACIVSA-N 0 1 336.794 3.541 20 10 EHCDMN CN(C)c1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1F ZINC000858116559 1136941578 /nfs/dbraw/zinc/94/15/78/1136941578.db2.gz OIAJVVZWXYMZFR-UHFFFAOYSA-N 0 1 337.389 3.526 20 10 EHCDMN C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1c([O-])cccc1Br ZINC000858127443 1136941982 /nfs/dbraw/zinc/94/19/82/1136941982.db2.gz FKLUCROWXKNEDL-NSHDSACASA-N 0 1 336.229 3.581 20 10 EHCDMN Cc1ccc(O)c(CNCc2c[nH]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000858239652 1136951481 /nfs/dbraw/zinc/95/14/81/1136951481.db2.gz RQJMSSVIXKUTTQ-UHFFFAOYSA-N 0 1 349.456 3.794 20 10 EHCDMN CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000858484873 1136972002 /nfs/dbraw/zinc/97/20/02/1136972002.db2.gz DGWGBYKCAQGGAT-AAEUAGOBSA-N 0 1 330.266 3.602 20 10 EHCDMN CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(Cl)ccc1[O-] ZINC000858540481 1136977547 /nfs/dbraw/zinc/97/75/47/1136977547.db2.gz GTTUTGKAVRTXCK-OAHLLOKOSA-N 0 1 338.879 3.735 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000691840899 1137089627 /nfs/dbraw/zinc/08/96/27/1137089627.db2.gz OGFOYCOYPQZHQI-CQSZACIVSA-N 0 1 340.261 3.736 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000823591979 1137107575 /nfs/dbraw/zinc/10/75/75/1137107575.db2.gz OIOQZABAQHKCES-LJQANCHMSA-N 0 1 347.842 3.588 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000823591979 1137107576 /nfs/dbraw/zinc/10/75/76/1137107576.db2.gz OIOQZABAQHKCES-LJQANCHMSA-N 0 1 347.842 3.588 20 10 EHCDMN Cc1cc(CNCc2ccc(N(C)Cc3cccs3)cc2)n(C)n1 ZINC000824350703 1137133809 /nfs/dbraw/zinc/13/38/09/1137133809.db2.gz LUPJQKSVHSAQMB-UHFFFAOYSA-N 0 1 340.496 3.716 20 10 EHCDMN C[C@H]1CC2(C[N@@H+]1Cc1c([O-])cccc1Br)CCOCC2 ZINC000862400213 1137142800 /nfs/dbraw/zinc/14/28/00/1137142800.db2.gz PYFSHVNKQCMGCM-LBPRGKRZSA-N 0 1 340.261 3.546 20 10 EHCDMN C[C@H]1CC2(C[N@H+]1Cc1c([O-])cccc1Br)CCOCC2 ZINC000862400213 1137142801 /nfs/dbraw/zinc/14/28/01/1137142801.db2.gz PYFSHVNKQCMGCM-LBPRGKRZSA-N 0 1 340.261 3.546 20 10 EHCDMN COCCOc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825126195 1137166556 /nfs/dbraw/zinc/16/65/56/1137166556.db2.gz PAAAKNDGSNWLEP-UHFFFAOYSA-N 0 1 335.831 3.669 20 10 EHCDMN COC[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000825321511 1137172940 /nfs/dbraw/zinc/17/29/40/1137172940.db2.gz FZVQAJZRERSOGF-ZDUSSCGKSA-N 0 1 342.277 3.712 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1Cl ZINC000825450368 1137178013 /nfs/dbraw/zinc/17/80/13/1137178013.db2.gz DZLLCRSTISVRAJ-ZHRRBRCNSA-N 0 1 337.872 3.563 20 10 EHCDMN CC(C)(C)c1ncc2c(n1)CCN(Cc1c(O)ccc3ccncc31)C2 ZINC000863279121 1137179539 /nfs/dbraw/zinc/17/95/39/1137179539.db2.gz WPHKNPSTDKUJTH-UHFFFAOYSA-N 0 1 348.450 3.586 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000825484434 1137181224 /nfs/dbraw/zinc/18/12/24/1137181224.db2.gz LQKMDGJHCCOQEE-CQSZACIVSA-N 0 1 347.256 3.614 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000825484434 1137181226 /nfs/dbraw/zinc/18/12/26/1137181226.db2.gz LQKMDGJHCCOQEE-CQSZACIVSA-N 0 1 347.256 3.614 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000865654383 1137302243 /nfs/dbraw/zinc/30/22/43/1137302243.db2.gz OZUXMWFWNHLPFW-AWEZNQCLSA-N 0 1 345.748 3.888 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2c(Cl)n(C)nc2C(C)C)c1 ZINC000845972145 1137322548 /nfs/dbraw/zinc/32/25/48/1137322548.db2.gz JMGTWDXKZBDPDW-NSHDSACASA-N 0 1 337.851 3.762 20 10 EHCDMN C[C@H]1CN(c2ccccc2C[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000846056697 1137327259 /nfs/dbraw/zinc/32/72/59/1137327259.db2.gz XTTDBIJNXSVKIM-AWEZNQCLSA-N 0 1 346.858 3.561 20 10 EHCDMN COc1cc2c(c(C[NH2+]Cc3cc(Cl)ccc3[O-])c1)O[C@@H](C)C2 ZINC000846058470 1137327449 /nfs/dbraw/zinc/32/74/49/1137327449.db2.gz PIVHXEDKKLRTCY-NSHDSACASA-N 0 1 333.815 3.667 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC000846905619 1137373396 /nfs/dbraw/zinc/37/33/96/1137373396.db2.gz JWQIFLDYTICQRF-CQSZACIVSA-N 0 1 330.815 3.633 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1[O-] ZINC000846905619 1137373397 /nfs/dbraw/zinc/37/33/97/1137373397.db2.gz JWQIFLDYTICQRF-CQSZACIVSA-N 0 1 330.815 3.633 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1[O-] ZINC000846905619 1137373399 /nfs/dbraw/zinc/37/33/99/1137373399.db2.gz JWQIFLDYTICQRF-CQSZACIVSA-N 0 1 330.815 3.633 20 10 EHCDMN C[C@@H](NCc1nc2cc(F)ccc2n1C)c1ccc(N(C)C)cc1 ZINC000773000313 1137457850 /nfs/dbraw/zinc/45/78/50/1137457850.db2.gz MAOWUKKBYFMEOF-CYBMUJFWSA-N 0 1 326.419 3.629 20 10 EHCDMN Cc1cc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)ncn1 ZINC000773107465 1137466081 /nfs/dbraw/zinc/46/60/81/1137466081.db2.gz PGPOLRGSYASIEC-OAHLLOKOSA-N 0 1 328.435 3.765 20 10 EHCDMN CN(C)c1ccc(CNCc2ccc(Br)cc2F)cc1 ZINC000036668242 1137471794 /nfs/dbraw/zinc/47/17/94/1137471794.db2.gz KJBQTLTVCYBMMN-UHFFFAOYSA-N 0 1 337.236 3.944 20 10 EHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(F)cc1O ZINC000123241295 1137504497 /nfs/dbraw/zinc/50/44/97/1137504497.db2.gz ONIXVBQWGTVZRZ-UHFFFAOYSA-N 0 1 342.414 3.794 20 10 EHCDMN CCOc1ccc(N2CCN([C@@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171809938 1137514347 /nfs/dbraw/zinc/51/43/47/1137514347.db2.gz NOGFZRDQCQATOV-GOSISDBHSA-N 0 1 340.442 3.514 20 10 EHCDMN [O-]c1c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)ccc(F)c1F ZINC000876770087 1137660792 /nfs/dbraw/zinc/66/07/92/1137660792.db2.gz IKVJUAVVCKNQTL-HNNXBMFYSA-N 0 1 333.378 3.709 20 10 EHCDMN Oc1c(CNc2ccc(OC[C@@H]3CCCO3)cc2)ccc(F)c1F ZINC000876827176 1137662966 /nfs/dbraw/zinc/66/29/66/1137662966.db2.gz MGSFMFTZPHZQQZ-HNNXBMFYSA-N 0 1 335.350 3.840 20 10 EHCDMN COc1cnc(F)c(CNCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000877024950 1137668026 /nfs/dbraw/zinc/66/80/26/1137668026.db2.gz UJEJEJMTPRGMJI-UHFFFAOYSA-N 0 1 343.446 3.755 20 10 EHCDMN Cc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc(N2CCCC2)n1 ZINC000825949396 1137673617 /nfs/dbraw/zinc/67/36/17/1137673617.db2.gz TYGAPPPDHZELAW-UHFFFAOYSA-N 0 1 345.874 3.947 20 10 EHCDMN Cc1ccc(C(=O)NCC2CC2)cc1NCc1ccc(F)c(F)c1O ZINC000877465896 1137677146 /nfs/dbraw/zinc/67/71/46/1137677146.db2.gz ZPQFZEQOZXJZGN-UHFFFAOYSA-N 0 1 346.377 3.731 20 10 EHCDMN Cc1ccc(F)c(CN(C)Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877478163 1137677538 /nfs/dbraw/zinc/67/75/38/1137677538.db2.gz CPHLUEGKFDUSFE-UHFFFAOYSA-N 0 1 342.458 3.727 20 10 EHCDMN CCCCN(Cc1ccccc1O)[C@H](C)c1nc(C(=O)OC)co1 ZINC000878565294 1137720423 /nfs/dbraw/zinc/72/04/23/1137720423.db2.gz IODINMPDOCQXAY-CYBMUJFWSA-N 0 1 332.400 3.530 20 10 EHCDMN C[C@H]([NH2+]CCc1ccns1)c1ccc(Br)cc1[O-] ZINC000883247142 1137850334 /nfs/dbraw/zinc/85/03/34/1137850334.db2.gz AMMOBSAZGPJKHO-VIFPVBQESA-N 0 1 327.247 3.505 20 10 EHCDMN CSc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1 ZINC000109773134 1137897479 /nfs/dbraw/zinc/89/74/79/1137897479.db2.gz NUPIQARXAOYYQD-ZDUSSCGKSA-N 0 1 330.453 3.573 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000113321725 1137912679 /nfs/dbraw/zinc/91/26/79/1137912679.db2.gz XBVUVSNOEDYMAL-UHFFFAOYSA-N 0 1 346.736 3.672 20 10 EHCDMN COc1cccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1O ZINC000093606438 1138238593 /nfs/dbraw/zinc/23/85/93/1138238593.db2.gz YNEHJUUEYKKHDR-SCLBCKFNSA-N 0 1 331.387 3.502 20 10 EHCDMN COc1cccc(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1O ZINC000093606438 1138238594 /nfs/dbraw/zinc/23/85/94/1138238594.db2.gz YNEHJUUEYKKHDR-SCLBCKFNSA-N 0 1 331.387 3.502 20 10 EHCDMN Cc1ccc2nc(CNCc3ccc(N4CCCCC4)cc3)cn2c1 ZINC000264550328 1138556098 /nfs/dbraw/zinc/55/60/98/1138556098.db2.gz ZJQHUFIPTWIVDG-UHFFFAOYSA-N 0 1 334.467 3.923 20 10 EHCDMN CCCN(Cc1ccccc1O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179937151 1139794269 /nfs/dbraw/zinc/79/42/69/1139794269.db2.gz YVJAZHZCCSDKBF-HNNXBMFYSA-N 0 1 347.480 3.769 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000691388411 1140032622 /nfs/dbraw/zinc/03/26/22/1140032622.db2.gz PXXHRWPIQXETIQ-INWMFGNUSA-N 0 1 340.261 3.763 20 10 EHCDMN CSCC[C@@H](N[C@@H](C)c1ccccc1O)c1nnc2ccccn21 ZINC000183392210 1140034270 /nfs/dbraw/zinc/03/42/70/1140034270.db2.gz XVIHFQPMNJRQJA-DZGCQCFKSA-N 0 1 342.468 3.580 20 10 EHCDMN Cc1csc(CN[C@@H](C)c2cc(Br)ccc2O)n1 ZINC000184954432 1140127907 /nfs/dbraw/zinc/12/79/07/1140127907.db2.gz ZWHVVRCCTGQOEC-VIFPVBQESA-N 0 1 327.247 3.770 20 10 EHCDMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)n[nH]1 ZINC000271543425 1141393914 /nfs/dbraw/zinc/39/39/14/1141393914.db2.gz RDANAQPIIGXKDR-ZIAGYGMSSA-N 0 1 345.466 3.908 20 10 EHCDMN CCC(CC)(C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C(=O)[O-] ZINC001595077610 979353993 /nfs/dbraw/zinc/35/39/93/979353993.db2.gz HSJGICZTZQRUAE-JTQLQIEISA-N 0 1 333.350 3.953 20 10 EHCDMN C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598530858 992778825 /nfs/dbraw/zinc/77/88/25/992778825.db2.gz WDXOZNHHISSNBO-OAHLLOKOSA-N 0 1 339.313 3.669 20 10 EHCDMN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591596884 992826497 /nfs/dbraw/zinc/82/64/97/992826497.db2.gz SVPVOSIWSQONTM-CYBMUJFWSA-N 0 1 347.484 3.879 20 10 EHCDMN C[C@H](NCc1nnc2n1CCCCC2)c1ccc2ccccc2c1O ZINC000184877905 1032327291 /nfs/dbraw/zinc/32/72/91/1032327291.db2.gz HOYXGBANJNWMJG-AWEZNQCLSA-N 0 1 336.439 3.714 20 10 EHCDMN CN(C)c1ccc(CN[C@H]2CCCc3c[nH]nc32)c(C(F)(F)F)c1 ZINC000280268427 1020236857 /nfs/dbraw/zinc/23/68/57/1020236857.db2.gz LTFFTILMESMDGI-HNNXBMFYSA-N 0 1 338.377 3.662 20 10 EHCDMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000069751515 1020799131 /nfs/dbraw/zinc/79/91/31/1020799131.db2.gz ZAWMGSMWBKUDJF-YOEHRIQHSA-N 0 1 344.430 3.669 20 10 EHCDMN CCOC(CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-])OCC ZINC000276456491 1021394408 /nfs/dbraw/zinc/39/44/08/1021394408.db2.gz BMXWRSVKCHFMCQ-NSHDSACASA-N 0 1 346.265 3.595 20 10 EHCDMN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000436983915 1021456120 /nfs/dbraw/zinc/45/61/20/1021456120.db2.gz ANAYNOMSTMJFBP-UHFFFAOYSA-N 0 1 328.799 3.776 20 10 EHCDMN COc1ccc(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)c(O)c1OC ZINC000891608966 1022097746 /nfs/dbraw/zinc/09/77/46/1022097746.db2.gz ZLRXZFBZCNPKNW-LLVKDONJSA-N 0 1 337.366 3.881 20 10 EHCDMN COc1ccc(CN(C)[C@H](C)c2cc(F)ccc2F)c(O)c1OC ZINC000891608966 1022097758 /nfs/dbraw/zinc/09/77/58/1022097758.db2.gz ZLRXZFBZCNPKNW-LLVKDONJSA-N 0 1 337.366 3.881 20 10 EHCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000894939587 1022274978 /nfs/dbraw/zinc/27/49/78/1022274978.db2.gz LVXIEQPNSDZOCV-CYBMUJFWSA-N 0 1 330.501 3.511 20 10 EHCDMN C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc2ccccc2c1[O-] ZINC000326825253 1024957403 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CC[C@@H](N[C@H](C)c1cc(C)ccc1O)c1nnc2n1CCCCC2 ZINC000273462966 1027442239 /nfs/dbraw/zinc/44/22/39/1027442239.db2.gz DDCDHUITVAKFCS-GDBMZVCRSA-N 0 1 328.460 3.820 20 10 EHCDMN C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000273613443 1027518891 /nfs/dbraw/zinc/51/88/91/1027518891.db2.gz WUNFQBHCBJBGFV-GFCCVEGCSA-N 0 1 326.362 3.690 20 10 EHCDMN CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1c([O-])cccc1Cl ZINC000897522081 1028216303 /nfs/dbraw/zinc/21/63/03/1028216303.db2.gz KZFQAJVFQWKSBM-ZDUSSCGKSA-N 0 1 325.758 3.619 20 10 EHCDMN Oc1ccccc1CN[C@H]1COc2cc(F)c(Br)cc21 ZINC000367260569 1029255154 /nfs/dbraw/zinc/25/51/54/1029255154.db2.gz PZJOXJNHPDRMJF-ZDUSSCGKSA-N 0 1 338.176 3.517 20 10 EHCDMN CC(C)(NCc1cc2c(cc1O)OCO2)c1nc2ccccc2s1 ZINC000527743280 1031196850 /nfs/dbraw/zinc/19/68/50/1031196850.db2.gz GUSKFMZIYVERIF-UHFFFAOYSA-N 0 1 342.420 3.756 20 10 EHCDMN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cscn3)C2)cc1 ZINC000174621951 1031239062 /nfs/dbraw/zinc/23/90/62/1031239062.db2.gz 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C[C@H](CCC(F)(F)F)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809712904 1135876448 /nfs/dbraw/zinc/87/64/48/1135876448.db2.gz GMTIPUPUVGCOTB-MRVPVSSYSA-N 0 1 326.156 3.975 20 10 EHCDMN COc1ccsc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809712281 1135876576 /nfs/dbraw/zinc/87/65/76/1135876576.db2.gz IJWOIUXBKIQRDJ-UHFFFAOYSA-N 0 1 328.231 3.515 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000809715371 1135876986 /nfs/dbraw/zinc/87/69/86/1135876986.db2.gz IDNKPNKENSYQSG-GUYCJALGSA-N 0 1 342.395 3.892 20 10 EHCDMN COc1c([O-])c(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000809715371 1135876989 /nfs/dbraw/zinc/87/69/89/1135876989.db2.gz IDNKPNKENSYQSG-GUYCJALGSA-N 0 1 342.395 3.892 20 10 EHCDMN COc1c(C)ccc(NCc2ccc(N3CCN(C)CC3)cc2)c1C ZINC001199599771 1135913862 /nfs/dbraw/zinc/91/38/62/1135913862.db2.gz OFMZDCVQKMDPAM-UHFFFAOYSA-N 0 1 339.483 3.676 20 10 EHCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)[C@H]1Oc1ccccc1 ZINC000776006767 1135918875 /nfs/dbraw/zinc/91/88/75/1135918875.db2.gz KIOIAOBTQNGRCT-QXAKKESOSA-N 0 1 347.842 3.760 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220403 1135939765 /nfs/dbraw/zinc/93/97/65/1135939765.db2.gz WUSOPQOCTWVJPU-IINYFYTJSA-N 0 1 327.350 3.946 20 10 EHCDMN CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212012 1135943974 /nfs/dbraw/zinc/94/39/74/1135943974.db2.gz KPIRJPZGLFSOSC-SMDDNHRTSA-N 0 1 346.393 3.757 20 10 EHCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC[C@@H](n2cccn2)C1)CCCC3 ZINC000812294234 1136195513 /nfs/dbraw/zinc/19/55/13/1136195513.db2.gz IEPJKWUZDSYPRH-CQSZACIVSA-N 0 1 337.423 3.661 20 10 EHCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC[C@@H](n2cccn2)C1)CCCC3 ZINC000812294234 1136195515 /nfs/dbraw/zinc/19/55/15/1136195515.db2.gz IEPJKWUZDSYPRH-CQSZACIVSA-N 0 1 337.423 3.661 20 10 EHCDMN COCC[C@@H]1COCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000812300206 1136196370 /nfs/dbraw/zinc/19/63/70/1136196370.db2.gz UMHYZNOZARXGSD-OAHLLOKOSA-N 0 1 341.407 3.529 20 10 EHCDMN COCC[C@@H]1COCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000812300206 1136196372 /nfs/dbraw/zinc/19/63/72/1136196372.db2.gz UMHYZNOZARXGSD-OAHLLOKOSA-N 0 1 341.407 3.529 20 10 EHCDMN COCC[C@@H]1COCCN1Cc1cc2oc3ccccc3c2cc1O ZINC000812300206 1136196374 /nfs/dbraw/zinc/19/63/74/1136196374.db2.gz UMHYZNOZARXGSD-OAHLLOKOSA-N 0 1 341.407 3.529 20 10 EHCDMN CO[C@@](C)(C[NH2+][C@H](C)c1ccc(Br)cc1[O-])C1CC1 ZINC000812734825 1136239457 /nfs/dbraw/zinc/23/94/57/1136239457.db2.gz RRLBRROZELQDRT-BMIGLBTASA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000850541556 1136282597 /nfs/dbraw/zinc/28/25/97/1136282597.db2.gz XTXAOHULUHIGCT-IRWJRLHMSA-N 0 1 343.446 3.814 20 10 EHCDMN OC1CCN(c2ccc(CN[C@H]3CSc4ccccc43)cc2)CC1 ZINC000850565112 1136287114 /nfs/dbraw/zinc/28/71/14/1136287114.db2.gz AKSGYGWXOSTQCF-IBGZPJMESA-N 0 1 340.492 3.584 20 10 EHCDMN Oc1ccccc1CN(Cc1cccc(F)c1F)C[C@H]1CCCO1 ZINC000109761553 1136339331 /nfs/dbraw/zinc/33/93/31/1136339331.db2.gz JYFWWFJMSAAIAI-MRXNPFEDSA-N 0 1 333.378 3.852 20 10 EHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CC[C@@H](OC)C1 ZINC000851791742 1136407487 /nfs/dbraw/zinc/40/74/87/1136407487.db2.gz CMJQBXAYAKAPBX-UONOGXRCSA-N 0 1 328.250 3.544 20 10 EHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CC[C@@H](OC)C1 ZINC000851791742 1136407489 /nfs/dbraw/zinc/40/74/89/1136407489.db2.gz CMJQBXAYAKAPBX-UONOGXRCSA-N 0 1 328.250 3.544 20 10 EHCDMN CCN(CC)c1ccc(CN(C)Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000814618752 1136481289 /nfs/dbraw/zinc/48/12/89/1136481289.db2.gz UGHYAEALVIASAW-UHFFFAOYSA-N 0 1 329.492 3.580 20 10 EHCDMN Oc1cc2c(cc1CN1CC3(CCCC3)[C@@H]1c1ccco1)[C@@H](O)CO2 ZINC000853538697 1136542056 /nfs/dbraw/zinc/54/20/56/1136542056.db2.gz JFGGTWAPCGCYHQ-LPHOPBHVSA-N 0 1 341.407 3.528 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCCN(c3nccs3)CC2)ccc2ccccc21 ZINC000816496633 1136725279 /nfs/dbraw/zinc/72/52/79/1136725279.db2.gz QEUDBUMWBDZECO-UHFFFAOYSA-N 0 1 339.464 3.714 20 10 EHCDMN [O-]c1c(C[N@H+]2CCCN(c3nccs3)CC2)ccc2ccccc21 ZINC000816496633 1136725280 /nfs/dbraw/zinc/72/52/80/1136725280.db2.gz QEUDBUMWBDZECO-UHFFFAOYSA-N 0 1 339.464 3.714 20 10 EHCDMN [O-]c1c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc2ccccc12 ZINC000816592382 1136735412 /nfs/dbraw/zinc/73/54/12/1136735412.db2.gz IILAFPLJMWYKOY-PBHICJAKSA-N 0 1 339.357 3.681 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc2ccccc12 ZINC000816592382 1136735415 /nfs/dbraw/zinc/73/54/15/1136735415.db2.gz IILAFPLJMWYKOY-PBHICJAKSA-N 0 1 339.357 3.681 20 10 EHCDMN [O-]c1c(C[NH2+]CCOc2ncccc2Cl)ccc2ccccc21 ZINC000816556789 1136736145 /nfs/dbraw/zinc/73/61/45/1136736145.db2.gz UBYWZQNZGIKUMK-UHFFFAOYSA-N 0 1 328.799 3.762 20 10 EHCDMN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816558464 1136736664 /nfs/dbraw/zinc/73/66/64/1136736664.db2.gz ZVGPLJHZQHPJEV-CQSZACIVSA-N 0 1 344.455 3.796 20 10 EHCDMN COC(=O)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCCC1 ZINC000816567826 1136738364 /nfs/dbraw/zinc/73/83/64/1136738364.db2.gz NECOCHCBUDOIIQ-UHFFFAOYSA-N 0 1 327.424 3.759 20 10 EHCDMN C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816609998 1136741161 /nfs/dbraw/zinc/74/11/61/1136741161.db2.gz VDGURDLCJDPRFS-XMMPIXPASA-N 0 1 339.460 3.714 20 10 EHCDMN C[C@@H](NCc1cc(COC(C)(C)C)on1)c1cc(F)cc(F)c1O ZINC000776869142 1136749449 /nfs/dbraw/zinc/74/94/49/1136749449.db2.gz WFMDXZTZDJWQAS-SNVBAGLBSA-N 0 1 340.370 3.824 20 10 EHCDMN CC[C@H](NCc1nn(CC)nc1C)c1ccc(C(F)(F)F)cc1O ZINC000818344268 1136872992 /nfs/dbraw/zinc/87/29/92/1136872992.db2.gz BCVMVTWZZORVGI-ZDUSSCGKSA-N 0 1 342.365 3.572 20 10 EHCDMN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000857864749 1136915202 /nfs/dbraw/zinc/91/52/02/1136915202.db2.gz HUTREUZMBBDBSF-PBHICJAKSA-N 0 1 341.455 3.610 20 10 EHCDMN Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nc1 ZINC000858014066 1136930692 /nfs/dbraw/zinc/93/06/92/1136930692.db2.gz LPPJPACETDLNGM-HNNXBMFYSA-N 0 1 332.831 3.711 20 10 EHCDMN Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nc1 ZINC000858014066 1136930696 /nfs/dbraw/zinc/93/06/96/1136930696.db2.gz LPPJPACETDLNGM-HNNXBMFYSA-N 0 1 332.831 3.711 20 10 EHCDMN Clc1cnccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000858099902 1136939842 /nfs/dbraw/zinc/93/98/42/1136939842.db2.gz BSHOLXJLUWZGSX-UHFFFAOYSA-N 0 1 333.888 3.578 20 10 EHCDMN CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858185950 1136947590 /nfs/dbraw/zinc/94/75/90/1136947590.db2.gz LRBAWZGDVFIDEK-XYPYZODXSA-N 0 1 328.250 3.590 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000858196828 1136948696 /nfs/dbraw/zinc/94/86/96/1136948696.db2.gz ZLVUDVGPXBGQAX-MRVPVSSYSA-N 0 1 339.060 3.828 20 10 EHCDMN Cc1cc(CNCc2cnc(Cl)n2C)c(C)n1-c1ccccc1 ZINC000858294085 1136955869 /nfs/dbraw/zinc/95/58/69/1136955869.db2.gz DGWMDGFOXLXFDO-UHFFFAOYSA-N 0 1 328.847 3.771 20 10 EHCDMN CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000858484876 1136972135 /nfs/dbraw/zinc/97/21/35/1136972135.db2.gz DGWGBYKCAQGGAT-YPMHNXCESA-N 0 1 330.266 3.602 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530246 1137062408 /nfs/dbraw/zinc/06/24/08/1137062408.db2.gz VLHOVVPLCKIJJR-KRWDZBQOSA-N 0 1 339.838 3.966 20 10 EHCDMN CCn1nc(C)c(CN(Cc2ccccc2O)C2CCCCC2)n1 ZINC000823375471 1137096879 /nfs/dbraw/zinc/09/68/79/1137096879.db2.gz VDZCLFUXRBVVBO-UHFFFAOYSA-N 0 1 328.460 3.647 20 10 EHCDMN CCN(CCc1nccs1)Cc1cc(F)c(N(C)C)cc1F ZINC000862250494 1137135229 /nfs/dbraw/zinc/13/52/29/1137135229.db2.gz PKWBMZJYDNIYNE-UHFFFAOYSA-N 0 1 325.428 3.552 20 10 EHCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485572 1137146569 /nfs/dbraw/zinc/14/65/69/1137146569.db2.gz PSDKDLCYMLIVKU-JSGCOSHPSA-N 0 1 339.863 3.845 20 10 EHCDMN Cc1cc(O)c(CN2CC(c3nc4ccccc4[nH]3)C2)cc1Cl ZINC000824855428 1137154571 /nfs/dbraw/zinc/15/45/71/1137154571.db2.gz KCMYNZQVPKGXSS-UHFFFAOYSA-N 0 1 327.815 3.830 20 10 EHCDMN Cc1cc([O-])c(C[NH+]2CCC(N(C)CC(F)F)CC2)cc1Cl ZINC000824888894 1137157150 /nfs/dbraw/zinc/15/71/50/1137157150.db2.gz JZKUWTLDXOHOSP-UHFFFAOYSA-N 0 1 332.822 3.515 20 10 EHCDMN Clc1cccc(C2CN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000824988609 1137161515 /nfs/dbraw/zinc/16/15/15/1137161515.db2.gz OWIVKWRSCZAKJX-UHFFFAOYSA-N 0 1 342.870 3.776 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1Cl ZINC000825215530 1137169172 /nfs/dbraw/zinc/16/91/72/1137169172.db2.gz SQMGKJVTOSXIMF-GFCCVEGCSA-N 0 1 344.842 3.724 20 10 EHCDMN Cc1noc(C2(C)CC[NH+](Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC000825479832 1137180929 /nfs/dbraw/zinc/18/09/29/1137180929.db2.gz UQYZBRQZZADVBK-UHFFFAOYSA-N 0 1 335.835 3.599 20 10 EHCDMN Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c(F)c1F ZINC000863406820 1137185502 /nfs/dbraw/zinc/18/55/02/1137185502.db2.gz KZCHPGLVUBNSRR-UHFFFAOYSA-N 0 1 341.379 3.705 20 10 EHCDMN C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccccc1O ZINC000120036408 1137225816 /nfs/dbraw/zinc/22/58/16/1137225816.db2.gz NMECLQNJFBSFKS-UHFFFAOYSA-N 0 1 327.815 3.863 20 10 EHCDMN CN(Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccccc1O ZINC000120036408 1137225817 /nfs/dbraw/zinc/22/58/17/1137225817.db2.gz NMECLQNJFBSFKS-UHFFFAOYSA-N 0 1 327.815 3.863 20 10 EHCDMN C[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccc(N2CCCC2)cc1 ZINC001144678331 1137328102 /nfs/dbraw/zinc/32/81/02/1137328102.db2.gz WHOKVCMUQHEMAE-UHFFFAOYSA-N 0 1 330.453 3.679 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Cl)ccc1[O-] ZINC000846215568 1137341963 /nfs/dbraw/zinc/34/19/63/1137341963.db2.gz LMTQDCHXNIHONC-JKSUJKDBSA-N 0 1 346.858 3.863 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc2ccccc2c1[O-] ZINC000866533923 1137362274 /nfs/dbraw/zinc/36/22/74/1137362274.db2.gz XPWSGTKSPUWHHH-RDJZCZTQSA-N 0 1 341.451 3.782 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(Br)cc1[O-] ZINC000866632222 1137371270 /nfs/dbraw/zinc/37/12/70/1137371270.db2.gz JUIWYUCZUYHUMJ-GXFFZTMASA-N 0 1 336.233 3.537 20 10 EHCDMN COC(=O)c1cc2[nH]cnc2c(NCc2cc3ccccc3cc2O)c1 ZINC001171405299 1137472747 /nfs/dbraw/zinc/47/27/47/1137472747.db2.gz UGMWMKAFBDTVHK-UHFFFAOYSA-N 0 1 347.374 3.820 20 10 EHCDMN C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)c3cccnc3c1O)C2 ZINC001172104633 1137536403 /nfs/dbraw/zinc/53/64/03/1137536403.db2.gz DPFJAQOSPPXBKM-QDMKHBRRSA-N 0 1 345.874 3.699 20 10 EHCDMN Oc1cc2c(cc1O)CN(Cc1c[nH]c3c1cccc3F)CCC2 ZINC001137058916 1137578834 /nfs/dbraw/zinc/57/88/34/1137578834.db2.gz FCCYKKIMEDHNMV-UHFFFAOYSA-N 0 1 326.371 3.667 20 10 EHCDMN Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 ZINC000877617016 1137683095 /nfs/dbraw/zinc/68/30/95/1137683095.db2.gz QQOQUGNOOGGTAS-GOEBONIOSA-N 0 1 334.460 3.578 20 10 EHCDMN Cc1ccnc(NCc2ccc(N3CCC(O)CC3)cc2)c1C1CC1 ZINC000877626716 1137683468 /nfs/dbraw/zinc/68/34/68/1137683468.db2.gz YQZPEPJMEGKVJS-UHFFFAOYSA-N 0 1 337.467 3.841 20 10 EHCDMN CC(C)CC(=O)N1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000877773998 1137689350 /nfs/dbraw/zinc/68/93/50/1137689350.db2.gz COSOTKKFZMGGPI-UHFFFAOYSA-N 0 1 340.467 3.626 20 10 EHCDMN CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000877773998 1137689351 /nfs/dbraw/zinc/68/93/51/1137689351.db2.gz COSOTKKFZMGGPI-UHFFFAOYSA-N 0 1 340.467 3.626 20 10 EHCDMN CCCCN(Cc1cnc(C(=O)OCC)s1)Cc1ccccc1O ZINC000878565518 1137720445 /nfs/dbraw/zinc/72/04/45/1137720445.db2.gz ORSRDCZFGKZMNJ-UHFFFAOYSA-N 0 1 348.468 3.828 20 10 EHCDMN C[N@@H+](CCCn1ccnc1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000130629991 1137840302 /nfs/dbraw/zinc/84/03/02/1137840302.db2.gz ZKBRUCUALRYZLV-UHFFFAOYSA-N 0 1 339.439 3.736 20 10 EHCDMN C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cc(Br)ccc1[O-] ZINC000883381793 1137858337 /nfs/dbraw/zinc/85/83/37/1137858337.db2.gz TXXCODOLPPCAFZ-LLVKDONJSA-N 0 1 340.261 3.765 20 10 EHCDMN COc1cc(F)c([C@@H](C)NCc2ccc(N(C)C)cc2)cc1OC ZINC000114504566 1137917689 /nfs/dbraw/zinc/91/76/89/1137917689.db2.gz JXEXZKUGNITWGC-CYBMUJFWSA-N 0 1 332.419 3.760 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Br)ccc1[O-] ZINC000379986554 1137936280 /nfs/dbraw/zinc/93/62/80/1137936280.db2.gz LJPIZZBINKHHDD-OCCSQVGLSA-N 0 1 326.234 3.888 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000826535274 1138212070 /nfs/dbraw/zinc/21/20/70/1138212070.db2.gz VFPUSUPHXKEKCB-JKSUJKDBSA-N 0 1 340.261 3.592 20 10 EHCDMN CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(C)ccc1O ZINC000179628055 1139770714 /nfs/dbraw/zinc/77/07/14/1139770714.db2.gz UOVKYOXTDRENIG-UHFFFAOYSA-N 0 1 342.439 3.560 20 10 EHCDMN CC1CCN(c2ccc(CN[C@H](c3nccn3C)C3CC3)cc2)CC1 ZINC000183273983 1140026634 /nfs/dbraw/zinc/02/66/34/1140026634.db2.gz YOWRELDWBVFHKF-FQEVSTJZSA-N 0 1 338.499 3.897 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000184855522 1140122833 /nfs/dbraw/zinc/12/28/33/1140122833.db2.gz CSBUVUONEKROMD-MEDUHNTESA-N 0 1 336.229 3.539 20 10 EHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1[O-] ZINC000184984026 1140129223 /nfs/dbraw/zinc/12/92/23/1140129223.db2.gz WABUOBQSJKWECF-CYBMUJFWSA-N 0 1 331.847 3.892 20 10 EHCDMN CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000185177197 1140138849 /nfs/dbraw/zinc/13/88/49/1140138849.db2.gz JAIRFHIDGGPTFN-LBPRGKRZSA-N 0 1 332.831 3.646 20 10 EHCDMN CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185337940 1140145708 /nfs/dbraw/zinc/14/57/08/1140145708.db2.gz FLESDKSAYCIZQK-LBPRGKRZSA-N 0 1 332.831 3.897 20 10 EHCDMN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185657273 1140161635 /nfs/dbraw/zinc/16/16/35/1140161635.db2.gz YNUCETFTTCMIOX-CVOVGHTJSA-N 0 1 329.893 3.776 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Br)ccc1[O-] ZINC000186249085 1140194178 /nfs/dbraw/zinc/19/41/78/1140194178.db2.gz ZWLUBMIEUGIRRC-OSAQELSMSA-N 0 1 342.277 3.747 20 10 EHCDMN COc1ccc2c(c1)nc(CNCc1cc(Cl)cc(C)c1O)n2C ZINC000186555010 1140210093 /nfs/dbraw/zinc/21/00/93/1140210093.db2.gz RJPQUFDYWIUEGO-UHFFFAOYSA-N 0 1 345.830 3.539 20 10 EHCDMN Cc1cc(CN[C@@H](C)c2cc(Br)cc(C)c2O)on1 ZINC000187166399 1140242861 /nfs/dbraw/zinc/24/28/61/1140242861.db2.gz BZCBEMVVSMNHEV-JTQLQIEISA-N 0 1 325.206 3.610 20 10 EHCDMN Cc1cc(O)c(CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1C ZINC000187518417 1140259429 /nfs/dbraw/zinc/25/94/29/1140259429.db2.gz JZZQJORPWCYAQE-HXUWFJFHSA-N 0 1 339.414 3.761 20 10 EHCDMN CC(C)c1nc(C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC000271185658 1141321628 /nfs/dbraw/zinc/32/16/28/1141321628.db2.gz QIINHVJSEKDKPG-UHFFFAOYSA-N 0 1 346.450 3.778 20 10 EHCDMN CC(C)c1ccc(O)c(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001603106789 972180747 /nfs/dbraw/zinc/18/07/47/972180747.db2.gz HXCHHEFTCUVQML-GOSISDBHSA-N 0 1 325.408 3.700 20 10 EHCDMN CC[C@]([NH2+]Cc1cccc(F)c1O)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300782 980435658 /nfs/dbraw/zinc/43/56/58/980435658.db2.gz TYZYPYHOVCLCBK-QGZVFWFLSA-N 0 1 337.778 3.664 20 10 EHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595747690 982416092 /nfs/dbraw/zinc/41/60/92/982416092.db2.gz IUYNZVJGGGOQPR-SFHVURJKSA-N 0 1 331.387 3.959 20 10 EHCDMN CS[C@@H]1CC[C@H]([N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC001599788323 987963365 /nfs/dbraw/zinc/96/33/65/987963365.db2.gz SKVUMGLKQLZNOQ-UONOGXRCSA-N 0 1 345.464 3.960 20 10 EHCDMN C[C@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)[C@@H](C)CO1 ZINC001204432506 1015571148 /nfs/dbraw/zinc/57/11/48/1015571148.db2.gz TWNNAJFRJWPXPJ-HOTGVXAUSA-N 0 1 330.497 3.994 20 10 EHCDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)Cc2ccccc2)c1C(=O)[O-] ZINC001598529549 992762125 /nfs/dbraw/zinc/76/21/25/992762125.db2.gz GDWKPXSVGAPOOH-UHFFFAOYSA-N 0 1 326.371 3.648 20 10 EHCDMN COc1ccc(CN[C@@H](COCC(C)C)c2ccco2)c(O)c1OC ZINC000892781628 1017401996 /nfs/dbraw/zinc/40/19/96/1017401996.db2.gz CFOZUOQOGVOFFU-HNNXBMFYSA-N 0 1 349.427 3.506 20 10 EHCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(Br)n1 ZINC000924902151 1019619421 /nfs/dbraw/zinc/61/94/21/1019619421.db2.gz XIBYEVZUNDMXII-NSHDSACASA-N 0 1 333.229 3.630 20 10 EHCDMN CN1CCN(c2ccc(CNc3cc(F)cc4[nH]ccc43)cc2)CC1 ZINC001167434490 1020012085 /nfs/dbraw/zinc/01/20/85/1020012085.db2.gz MJNRNNZWRRMFCQ-UHFFFAOYSA-N 0 1 338.430 3.671 20 10 EHCDMN COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(O)c1OC ZINC000891549277 1021894096 /nfs/dbraw/zinc/89/40/96/1021894096.db2.gz HBVMYCLPMQXJJS-MRXNPFEDSA-N 0 1 331.387 3.886 20 10 EHCDMN CCN(CC)c1ccc(CN(C)[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000894957817 1022283692 /nfs/dbraw/zinc/28/36/92/1022283692.db2.gz BTHJEVQRUNUYJX-FQEVSTJZSA-N 0 1 349.482 3.872 20 10 EHCDMN COc1cccc(-c2cc(CNCc3ccc(OC)c(C)c3)on2)c1 ZINC000897841920 1033205818 /nfs/dbraw/zinc/20/58/18/1033205818.db2.gz RALVRSROQKOGDK-UHFFFAOYSA-N 0 1 338.407 3.957 20 10 EHCDMN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192935211 1026647138 /nfs/dbraw/zinc/64/71/38/1026647138.db2.gz HIFPWTDNPMIFRW-MRXNPFEDSA-N 0 1 330.859 3.657 20 10 EHCDMN C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(Br)cc1[O-] ZINC000903282273 1031321590 /nfs/dbraw/zinc/32/15/90/1031321590.db2.gz KXAUVNQQQMPILX-IWIMUOFNSA-N 0 1 340.261 3.763 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898317762 1033452283 /nfs/dbraw/zinc/45/22/83/1033452283.db2.gz LPQRRRHAXXPJFS-INIZCTEOSA-N 0 1 333.229 3.791 20 10 EHCDMN Cn1cccc1[C@@H]1CCCN1Cc1cc(Br)ccc1O ZINC000179703851 1034578725 /nfs/dbraw/zinc/57/87/25/1034578725.db2.gz JNVQXSWYFNBOID-HNNXBMFYSA-N 0 1 335.245 3.830 20 10 EHCDMN CC[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])N1CCCC1 ZINC000756403224 1038536304 /nfs/dbraw/zinc/53/63/04/1038536304.db2.gz XJIHMVJMDPUNAH-TZMCWYRMSA-N 0 1 341.293 3.680 20 10 EHCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])NC(=O)OC(C)(C)C ZINC000195142213 1041389705 /nfs/dbraw/zinc/38/97/05/1041389705.db2.gz ZDMSJEHJWQURRA-MNOVXSKESA-N 0 1 328.840 3.609 20 10 EHCDMN CCC[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728902707 1043859624 /nfs/dbraw/zinc/85/96/24/1043859624.db2.gz NJMQSKPUFDPMHC-UHFFFAOYSA-N 0 1 325.408 3.703 20 10 EHCDMN Cc1cnc(Cl)c(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000921552763 1127728346 /nfs/dbraw/zinc/72/83/46/1127728346.db2.gz YXRZTDVQWSWXOL-UHFFFAOYSA-N 0 1 347.915 3.886 20 10 EHCDMN COc1cc2c(cc1CNCc1ccc(N(C)C)cc1C)O[C@@H](C)C2 ZINC000734509211 1131243059 /nfs/dbraw/zinc/24/30/59/1131243059.db2.gz IXBOAQZANVSEAO-HNNXBMFYSA-N 0 1 340.467 3.683 20 10 EHCDMN c1cnn(C[C@@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)c1 ZINC000921770661 1128747460 /nfs/dbraw/zinc/74/74/60/1128747460.db2.gz LIAQXAAGBWJHRW-HXUWFJFHSA-N 0 1 333.435 3.739 20 10 EHCDMN COC(=O)c1oc([C@H](C)N[C@@H](C)c2cc(OC)ccc2O)cc1C ZINC000182335513 1125260706 /nfs/dbraw/zinc/26/07/06/1125260706.db2.gz LJJQDUGAXVODNN-RYUDHWBXSA-N 0 1 333.384 3.501 20 10 EHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000733324519 1131025812 /nfs/dbraw/zinc/02/58/12/1131025812.db2.gz HTOBCUIOBKJOEH-LLVKDONJSA-N 0 1 330.815 3.781 20 10 EHCDMN O=C(C[NH2+]Cc1c([O-])cccc1Cl)Nc1cccc2ccccc21 ZINC000733327682 1131027201 /nfs/dbraw/zinc/02/72/01/1131027201.db2.gz BJKVBRVAYHGREX-UHFFFAOYSA-N 0 1 340.810 3.927 20 10 EHCDMN CSc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000766290039 1131798635 /nfs/dbraw/zinc/79/86/35/1131798635.db2.gz MLLVINDSEZMECJ-UHFFFAOYSA-N 0 1 325.437 3.788 20 10 EHCDMN CC(C)C[C@@H]1CC(=O)N(CN(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000744432120 1132096561 /nfs/dbraw/zinc/09/65/61/1132096561.db2.gz HWNGPAXXPBWFRP-LJQANCHMSA-N 0 1 345.531 3.815 20 10 EHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766691131 1132751647 /nfs/dbraw/zinc/75/16/47/1132751647.db2.gz JJGWMYFPYJDCMI-AWEZNQCLSA-N 0 1 340.452 3.686 20 10 EHCDMN CN(C)c1cc(F)c(CNCc2cccc3cccnc32)cc1F ZINC001177558022 1133082067 /nfs/dbraw/zinc/08/20/67/1133082067.db2.gz OULADJPVHRXKIS-UHFFFAOYSA-N 0 1 327.378 3.869 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)N(C)Cc2ccccc2)c(Cl)c1 ZINC001177864611 1133108389 /nfs/dbraw/zinc/10/83/89/1133108389.db2.gz MYBTTZATJPHXSQ-OAHLLOKOSA-N 0 1 332.875 3.964 20 10 EHCDMN CC(C)C[N@H+](CCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440625 1133139122 /nfs/dbraw/zinc/13/91/22/1133139122.db2.gz RPGDPGIHTRQGEW-FQEVSTJZSA-N 0 1 341.451 3.519 20 10 EHCDMN CC(C)C[N@@H+](CCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440625 1133139124 /nfs/dbraw/zinc/13/91/24/1133139124.db2.gz RPGDPGIHTRQGEW-FQEVSTJZSA-N 0 1 341.451 3.519 20 10 EHCDMN COc1cc(Br)cc(C[N@H+](CC2CC2)C(C)C)c1[O-] ZINC000768672441 1133168671 /nfs/dbraw/zinc/16/86/71/1133168671.db2.gz DMLWIBGXFMAGQF-UHFFFAOYSA-N 0 1 328.250 3.784 20 10 EHCDMN COc1cc(Br)cc(C[N@@H+](CC2CC2)C(C)C)c1[O-] ZINC000768672441 1133168676 /nfs/dbraw/zinc/16/86/76/1133168676.db2.gz DMLWIBGXFMAGQF-UHFFFAOYSA-N 0 1 328.250 3.784 20 10 EHCDMN CCC[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915719 1133202329 /nfs/dbraw/zinc/20/23/29/1133202329.db2.gz MKQXZHRRLQGLLX-BBRMVZONSA-N 0 1 338.879 3.562 20 10 EHCDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769214178 1133246062 /nfs/dbraw/zinc/24/60/62/1133246062.db2.gz SRVCDRROJNVRBQ-UONOGXRCSA-N 0 1 338.879 3.562 20 10 EHCDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769214178 1133246066 /nfs/dbraw/zinc/24/60/66/1133246066.db2.gz SRVCDRROJNVRBQ-UONOGXRCSA-N 0 1 338.879 3.562 20 10 EHCDMN COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000769313070 1133259587 /nfs/dbraw/zinc/25/95/87/1133259587.db2.gz SBKCLHCUNSFXKS-INIZCTEOSA-N 0 1 341.407 3.509 20 10 EHCDMN Clc1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000769386677 1133274376 /nfs/dbraw/zinc/27/43/76/1133274376.db2.gz DTRDYJSLSOJTQJ-UHFFFAOYSA-N 0 1 342.870 3.735 20 10 EHCDMN CCN(Cc1ccccc1)c1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000769468518 1133297710 /nfs/dbraw/zinc/29/77/10/1133297710.db2.gz JXMKFYIZRYFBTL-UHFFFAOYSA-N 0 1 346.478 3.995 20 10 EHCDMN CN(C)c1ccc(/C=C/CN2CCN(c3cccs3)CC2)cc1 ZINC001180057829 1133323350 /nfs/dbraw/zinc/32/33/50/1133323350.db2.gz JIYBFOWYKDXOPT-HWKANZROSA-N 0 1 327.497 3.650 20 10 EHCDMN COc1cc(CN2CCOC[C@@H]2C2CCC2)c(O)c(C(C)(C)C)c1 ZINC001182532280 1133697848 /nfs/dbraw/zinc/69/78/48/1133697848.db2.gz BMURZUOYTMYGBG-GOSISDBHSA-N 0 1 333.472 3.699 20 10 EHCDMN Cc1cc(CNCc2ccc(Cl)nn2)c(C)n1-c1ccccc1 ZINC001183279417 1133783899 /nfs/dbraw/zinc/78/38/99/1133783899.db2.gz BVQPEXKNPIVFKD-UHFFFAOYSA-N 0 1 326.831 3.827 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001183663214 1133843725 /nfs/dbraw/zinc/84/37/25/1133843725.db2.gz VRJMYPQHHJNEFZ-HNNXBMFYSA-N 0 1 339.769 3.977 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1cc(Cl)ccc1[O-] ZINC000786581948 1133870311 /nfs/dbraw/zinc/87/03/11/1133870311.db2.gz JRJXNTMCGJFVKP-SJLPKXTDSA-N 0 1 333.859 3.998 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000774701615 1133883034 /nfs/dbraw/zinc/88/30/34/1133883034.db2.gz KORJCAPJCJTHNG-QFIPXVFZSA-N 0 1 346.430 3.962 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000774701615 1133883042 /nfs/dbraw/zinc/88/30/42/1133883042.db2.gz KORJCAPJCJTHNG-QFIPXVFZSA-N 0 1 346.430 3.962 20 10 EHCDMN CCc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774820399 1134031379 /nfs/dbraw/zinc/03/13/79/1134031379.db2.gz JMZPWZXOIZFJRL-UHFFFAOYSA-N 0 1 330.384 3.503 20 10 EHCDMN CCc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774820399 1134031383 /nfs/dbraw/zinc/03/13/83/1134031383.db2.gz JMZPWZXOIZFJRL-UHFFFAOYSA-N 0 1 330.384 3.503 20 10 EHCDMN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cc(C)c(C)cc1O ZINC000789776455 1134337812 /nfs/dbraw/zinc/33/78/12/1134337812.db2.gz PYVSTACJHNXOQQ-OALUTQOASA-N 0 1 339.435 3.888 20 10 EHCDMN C[C@@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccc(N(C)C)cc1 ZINC000775362487 1134667273 /nfs/dbraw/zinc/66/72/73/1134667273.db2.gz HKORPRPYNQWPIK-DYVFJYSZSA-N 0 1 331.485 3.911 20 10 EHCDMN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000793608567 1134970585 /nfs/dbraw/zinc/97/05/85/1134970585.db2.gz HWTICBXBJWEGEV-UKRRQHHQSA-N 0 1 347.842 3.556 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775503097 1134971770 /nfs/dbraw/zinc/97/17/70/1134971770.db2.gz AYJCNYXGBFRVRZ-FUHWJXTLSA-N 0 1 335.831 3.829 20 10 EHCDMN CC[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(Cl)ccc1[O-] ZINC000775524021 1135004138 /nfs/dbraw/zinc/00/41/38/1135004138.db2.gz 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/nfs/dbraw/zinc/58/07/97/1135580797.db2.gz UYZDVYGLVCQAMA-SNVBAGLBSA-N 0 1 339.222 3.904 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000775738096 1135600282 /nfs/dbraw/zinc/60/02/82/1135600282.db2.gz SCIJXYYVPFKQEH-DZGCQCFKSA-N 0 1 339.794 3.866 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(Br)cc1[O-] ZINC000808728234 1135723246 /nfs/dbraw/zinc/72/32/46/1135723246.db2.gz OYKUBTFLMBFOOO-NEPJUHHUSA-N 0 1 348.240 3.982 20 10 EHCDMN COc1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000809700567 1135868811 /nfs/dbraw/zinc/86/88/11/1135868811.db2.gz JILCGCXASGFSQM-DOMZBBRYSA-N 0 1 327.852 3.570 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000809700567 1135868814 /nfs/dbraw/zinc/86/88/14/1135868814.db2.gz JILCGCXASGFSQM-DOMZBBRYSA-N 0 1 327.852 3.570 20 10 EHCDMN Oc1ccc(F)cc1CNCc1cc(F)c(F)cc1Br ZINC000809709440 1135876043 /nfs/dbraw/zinc/87/60/43/1135876043.db2.gz CZRQZDYJICWLML-UHFFFAOYSA-N 0 1 346.146 3.862 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000809713524 1135876389 /nfs/dbraw/zinc/87/63/89/1135876389.db2.gz SGBCIKNLWNIASA-UHFFFAOYSA-N 0 1 331.213 3.926 20 10 EHCDMN COc1cccc(CNCc2c(F)cccc2Br)c1O ZINC000809739921 1135883214 /nfs/dbraw/zinc/88/32/14/1135883214.db2.gz GPUYVZBQWQSUMV-UHFFFAOYSA-N 0 1 340.192 3.592 20 10 EHCDMN COCCC[N@@H+](Cc1ccncc1)Cc1c([O-])ccc(Cl)c1F ZINC000809740817 1135883837 /nfs/dbraw/zinc/88/38/37/1135883837.db2.gz JMTHNRFQTVGZKG-UHFFFAOYSA-N 0 1 338.810 3.618 20 10 EHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791108 1135893401 /nfs/dbraw/zinc/89/34/01/1135893401.db2.gz UGVLWTUDWOEPMH-LJQANCHMSA-N 0 1 349.833 3.612 20 10 EHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791108 1135893404 /nfs/dbraw/zinc/89/34/04/1135893404.db2.gz UGVLWTUDWOEPMH-LJQANCHMSA-N 0 1 349.833 3.612 20 10 EHCDMN CCN(Cc1oc(C)nc1C)Cc1cc(Br)ccc1O ZINC000809950808 1135905440 /nfs/dbraw/zinc/90/54/40/1135905440.db2.gz PLMHBXDGAJBZGW-UHFFFAOYSA-N 0 1 339.233 3.782 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775997993 1135915723 /nfs/dbraw/zinc/91/57/23/1135915723.db2.gz OQZWHPDLYZRKAD-UHFFFAOYSA-N 0 1 349.833 3.754 20 10 EHCDMN CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226410 1135941182 /nfs/dbraw/zinc/94/11/82/1135941182.db2.gz XVAXQAAIBIUYMJ-AWEZNQCLSA-N 0 1 344.377 3.511 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209122 1135943268 /nfs/dbraw/zinc/94/32/68/1135943268.db2.gz MFHKHGOXUXESJG-RISCZKNCSA-N 0 1 327.350 3.737 20 10 EHCDMN CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239231 1135946700 /nfs/dbraw/zinc/94/67/00/1135946700.db2.gz YAMJYBJODFLOJG-OFQRWUPVSA-N 0 1 347.377 3.646 20 10 EHCDMN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000810246260 1135947760 /nfs/dbraw/zinc/94/77/60/1135947760.db2.gz LULVSNKUBGLPDH-IXDGSTSKSA-N 0 1 331.843 3.862 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cc(C(F)(F)F)nn2C)cc1 ZINC000850034888 1136201035 /nfs/dbraw/zinc/20/10/35/1136201035.db2.gz STZXIZKNDQNCFW-UHFFFAOYSA-N 0 1 340.393 3.575 20 10 EHCDMN CCN(CC)c1ccc(CNCc2c(C(F)(F)F)cnn2C)cc1 ZINC000850034854 1136201199 /nfs/dbraw/zinc/20/11/99/1136201199.db2.gz RZMMFGUNHYYRKC-UHFFFAOYSA-N 0 1 340.393 3.575 20 10 EHCDMN CO[C@](C)(C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])C1CC1 ZINC000812734828 1136239413 /nfs/dbraw/zinc/23/94/13/1136239413.db2.gz RRLBRROZELQDRT-ZUZCIYMTSA-N 0 1 328.250 3.620 20 10 EHCDMN COc1ccccc1-c1cc(CNCc2ccc(N(C)C)cc2)on1 ZINC000850420425 1136255344 /nfs/dbraw/zinc/25/53/44/1136255344.db2.gz OMPCROQURLROBS-UHFFFAOYSA-N 0 1 337.423 3.706 20 10 EHCDMN COC1CC(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000850480965 1136266896 /nfs/dbraw/zinc/26/68/96/1136266896.db2.gz DBGLIXZZYCOUDP-XSRFYTQQSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850492318 1136270969 /nfs/dbraw/zinc/27/09/69/1136270969.db2.gz DCWBODOLGBEHLQ-YPMHNXCESA-N 0 1 341.293 3.678 20 10 EHCDMN C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccc(Br)cc1[O-] ZINC000850528916 1136279303 /nfs/dbraw/zinc/27/93/03/1136279303.db2.gz OELRUESLWWACOL-FGDXXIHYSA-N 0 1 348.240 3.984 20 10 EHCDMN COc1ccnc(CN[C@H](C)c2cc3c(cc2O)CCCC3)c1F ZINC000850536479 1136281658 /nfs/dbraw/zinc/28/16/58/1136281658.db2.gz GMLIURFIJZBHFI-GFCCVEGCSA-N 0 1 330.403 3.665 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Br)ccc1[O-] ZINC000850545172 1136282531 /nfs/dbraw/zinc/28/25/31/1136282531.db2.gz MMYZAWZBFIASHL-WFASDCNBSA-N 0 1 342.277 3.604 20 10 EHCDMN Oc1ccccc1CN(Cc1cccc(F)c1F)C[C@@H]1CCCO1 ZINC000109761550 1136339474 /nfs/dbraw/zinc/33/94/74/1136339474.db2.gz JYFWWFJMSAAIAI-INIZCTEOSA-N 0 1 333.378 3.852 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC1(Cl)Cl ZINC000813683092 1136356354 /nfs/dbraw/zinc/35/63/54/1136356354.db2.gz SOYFZJJLXWRLKH-SSDOTTSWSA-N 0 1 329.010 3.509 20 10 EHCDMN CCN(Cc1cccc(F)n1)Cc1cc(Br)ccc1O ZINC000851791934 1136407547 /nfs/dbraw/zinc/40/75/47/1136407547.db2.gz FPHCRBYKKQETHR-UHFFFAOYSA-N 0 1 339.208 3.711 20 10 EHCDMN CC1(C)CC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000775701209 1136476782 /nfs/dbraw/zinc/47/67/82/1136476782.db2.gz ONOZHENHZRVMIV-UHFFFAOYSA-N 0 1 349.066 3.902 20 10 EHCDMN CC1(C)CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000775701209 1136476785 /nfs/dbraw/zinc/47/67/85/1136476785.db2.gz ONOZHENHZRVMIV-UHFFFAOYSA-N 0 1 349.066 3.902 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1[O-] ZINC000852760020 1136483651 /nfs/dbraw/zinc/48/36/51/1136483651.db2.gz UFZVSZKXGXHGLV-KDURUIRLSA-N 0 1 349.858 3.641 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1[O-] ZINC000852760020 1136483653 /nfs/dbraw/zinc/48/36/53/1136483653.db2.gz UFZVSZKXGXHGLV-KDURUIRLSA-N 0 1 349.858 3.641 20 10 EHCDMN COc1ccc(O)c([C@H](C)N[C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853240118 1136521067 /nfs/dbraw/zinc/52/10/67/1136521067.db2.gz GGWJCQSCQCGJED-KSSFIOAISA-N 0 1 349.434 3.925 20 10 EHCDMN C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1O ZINC000111236065 1136524478 /nfs/dbraw/zinc/52/44/78/1136524478.db2.gz BSXLUTMKUSRURP-UHFFFAOYSA-N 0 1 336.794 3.645 20 10 EHCDMN CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000815633115 1136621981 /nfs/dbraw/zinc/62/19/81/1136621981.db2.gz GQIIXODKBKMZRJ-GJZGRUSLSA-N 0 1 328.456 3.748 20 10 EHCDMN CCOC(=O)N(C)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816501770 1136728250 /nfs/dbraw/zinc/72/82/50/1136728250.db2.gz APTYMUUSGSVDDT-UHFFFAOYSA-N 0 1 342.439 3.598 20 10 EHCDMN Oc1c(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc2ccccc21 ZINC000816522249 1136733174 /nfs/dbraw/zinc/73/31/74/1136733174.db2.gz QIKLMIHVZSSURM-QGZVFWFLSA-N 0 1 348.450 3.921 20 10 EHCDMN Oc1c(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc2ccccc21 ZINC000816522249 1136733178 /nfs/dbraw/zinc/73/31/78/1136733178.db2.gz QIKLMIHVZSSURM-QGZVFWFLSA-N 0 1 348.450 3.921 20 10 EHCDMN [O-]c1c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccc2ccccc21 ZINC000816557258 1136736068 /nfs/dbraw/zinc/73/60/68/1136736068.db2.gz JMXLYAINXKADLY-LPHOPBHVSA-N 0 1 329.465 3.690 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000776959473 1136905121 /nfs/dbraw/zinc/90/51/21/1136905121.db2.gz LYXNKOKORBIIKM-CYBMUJFWSA-N 0 1 325.836 3.601 20 10 EHCDMN Cc1ccc(O[C@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000858012430 1136930483 /nfs/dbraw/zinc/93/04/83/1136930483.db2.gz HCNREMGWEFMVNN-LBPRGKRZSA-N 0 1 336.794 3.541 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000858130258 1136942197 /nfs/dbraw/zinc/94/21/97/1136942197.db2.gz FCRYLBBHHQZRBW-CQSZACIVSA-N 0 1 334.213 3.637 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000858195662 1136948880 /nfs/dbraw/zinc/94/88/80/1136948880.db2.gz ZTVPPZWMTABONW-OAUYIBNBSA-N 0 1 348.215 3.722 20 10 EHCDMN CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000858506201 1136974566 /nfs/dbraw/zinc/97/45/66/1136974566.db2.gz SHVHXZFKNWZWCH-CJNGLKHVSA-N 0 1 325.408 3.848 20 10 EHCDMN CCOc1cccc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1O ZINC000822525150 1137062325 /nfs/dbraw/zinc/06/23/25/1137062325.db2.gz ACXVQXUJYGLFCO-SJLPKXTDSA-N 0 1 347.842 3.752 20 10 EHCDMN CN(C)c1cc(F)c(CN(C)[C@H](CCO)c2ccccc2)cc1F ZINC000862246296 1137134820 /nfs/dbraw/zinc/13/48/20/1137134820.db2.gz MBWOXTLJGAMNAV-GOSISDBHSA-N 0 1 334.410 3.586 20 10 EHCDMN CSC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862374568 1137141307 /nfs/dbraw/zinc/14/13/07/1137141307.db2.gz NYEPYSQWEJEIDI-NSHDSACASA-N 0 1 330.291 3.730 20 10 EHCDMN CSC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862374568 1137141308 /nfs/dbraw/zinc/14/13/08/1137141308.db2.gz NYEPYSQWEJEIDI-NSHDSACASA-N 0 1 330.291 3.730 20 10 EHCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000824690653 1137148405 /nfs/dbraw/zinc/14/84/05/1137148405.db2.gz KIZQCUYORLRCLI-HNNXBMFYSA-N 0 1 326.223 3.864 20 10 EHCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000824690653 1137148406 /nfs/dbraw/zinc/14/84/06/1137148406.db2.gz KIZQCUYORLRCLI-HNNXBMFYSA-N 0 1 326.223 3.864 20 10 EHCDMN COc1ccc([C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C2CC2)cn1 ZINC000862549508 1137149793 /nfs/dbraw/zinc/14/97/93/1137149793.db2.gz DTJVESIEDFGXEF-SFHVURJKSA-N 0 1 332.831 3.999 20 10 EHCDMN COCCOc1ccccc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825131238 1137167037 /nfs/dbraw/zinc/16/70/37/1137167037.db2.gz KWNJVWCFVQJEKG-UHFFFAOYSA-N 0 1 335.831 3.669 20 10 EHCDMN CCN(C)c1ccccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825234069 1137170001 /nfs/dbraw/zinc/17/00/01/1137170001.db2.gz KQITVZAISYSFQL-UHFFFAOYSA-N 0 1 349.272 3.901 20 10 EHCDMN CN(Cc1ncc(C(F)(F)F)[nH]1)Cc1ccc(N2CCCC2)cc1 ZINC001137015904 1137171997 /nfs/dbraw/zinc/17/19/97/1137171997.db2.gz BIUBMRNLGJLTJO-UHFFFAOYSA-N 0 1 338.377 3.661 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)cc1Cl ZINC000825354088 1137174623 /nfs/dbraw/zinc/17/46/23/1137174623.db2.gz RQCHOQXIZBADDK-GDBMZVCRSA-N 0 1 333.859 3.998 20 10 EHCDMN COc1cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794653249 1137223763 /nfs/dbraw/zinc/22/37/63/1137223763.db2.gz LKEOOJVHTFQAQS-FZKQIMNGSA-N 0 1 333.472 3.698 20 10 EHCDMN COc1ccc(CNCc2ccc(N3CCSCC3)cc2)c(F)c1 ZINC000845923842 1137320380 /nfs/dbraw/zinc/32/03/80/1137320380.db2.gz FNPSSZAEGZQAHA-UHFFFAOYSA-N 0 1 346.471 3.677 20 10 EHCDMN COc1ccc(N(C)CCN(C)Cc2cnc(C3CC3)s2)cc1 ZINC000846053194 1137330881 /nfs/dbraw/zinc/33/08/81/1137330881.db2.gz WTMYVYRDQUWXBH-UHFFFAOYSA-N 0 1 331.485 3.597 20 10 EHCDMN CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000846055841 1137330965 /nfs/dbraw/zinc/33/09/65/1137330965.db2.gz QAPXYOXEGJUADL-YPMHNXCESA-N 0 1 347.789 3.502 20 10 EHCDMN C[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000846206398 1137339341 /nfs/dbraw/zinc/33/93/41/1137339341.db2.gz YJBALXRPBUCXQU-MNOVXSKESA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H]1C[C@@H](NCc2nn(C)cc2C(F)F)c2c1c(F)ccc2O ZINC000866564786 1137365039 /nfs/dbraw/zinc/36/50/39/1137365039.db2.gz BQHBGNQPQISGNC-GZMMTYOYSA-N 0 1 325.334 3.541 20 10 EHCDMN COc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)c(F)c1)CCCO2 ZINC000122418431 1137436690 /nfs/dbraw/zinc/43/66/90/1137436690.db2.gz YVLKMJIWMDDQSA-SFHVURJKSA-N 0 1 344.430 3.904 20 10 EHCDMN CC[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000872113199 1137571909 /nfs/dbraw/zinc/57/19/09/1137571909.db2.gz NJKGDXMUEDCQBB-BXUZGUMPSA-N 0 1 345.361 3.795 20 10 EHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000872814224 1137584917 /nfs/dbraw/zinc/58/49/17/1137584917.db2.gz QIVGZJHMBBNOBP-AWEZNQCLSA-N 0 1 347.377 3.549 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000825634684 1137586035 /nfs/dbraw/zinc/58/60/35/1137586035.db2.gz PXRFCYAVBOKAGK-MRXNPFEDSA-N 0 1 340.261 3.546 20 10 EHCDMN C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825944721 1137671855 /nfs/dbraw/zinc/67/18/55/1137671855.db2.gz ZWJUVLJGWITUHZ-HWPZZCPQSA-N 0 1 334.213 3.767 20 10 EHCDMN Cc1cc(O)c(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000825955786 1137674209 /nfs/dbraw/zinc/67/42/09/1137674209.db2.gz RZGYORNUNRFZES-ZDUSSCGKSA-N 0 1 326.227 3.651 20 10 EHCDMN COC(=O)[C@H](C)Cc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877349097 1137674760 /nfs/dbraw/zinc/67/47/60/1137674760.db2.gz ZETJJBQMVWCKPR-LLVKDONJSA-N 0 1 335.350 3.634 20 10 EHCDMN [O-]c1c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)ccc(F)c1F ZINC000877517950 1137679393 /nfs/dbraw/zinc/67/93/93/1137679393.db2.gz QUYGIRBOAQNYFF-SOLBZPMBSA-N 0 1 345.389 3.675 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877763118 1137688858 /nfs/dbraw/zinc/68/88/58/1137688858.db2.gz YPZRVOXOTHCFND-HNNXBMFYSA-N 0 1 347.821 3.564 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc2ccccc21 ZINC000877821766 1137691732 /nfs/dbraw/zinc/69/17/32/1137691732.db2.gz NABPHCXMRYOELT-OAHLLOKOSA-N 0 1 325.330 3.699 20 10 EHCDMN [O-]c1c(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc2ccccc21 ZINC000877821766 1137691733 /nfs/dbraw/zinc/69/17/33/1137691733.db2.gz NABPHCXMRYOELT-OAHLLOKOSA-N 0 1 325.330 3.699 20 10 EHCDMN CCc1cc2c(C[NH2+][C@H](C)c3ccccc3O)cc(=O)oc2cc1[O-] ZINC000879648474 1137753663 /nfs/dbraw/zinc/75/36/63/1137753663.db2.gz QPAQIUCOQLHMTD-GFCCVEGCSA-N 0 1 339.391 3.617 20 10 EHCDMN Fc1cc(C[N@@H+](Cc2cccs2)C2CC2)ccc1N1CCOCC1 ZINC000130249158 1137835732 /nfs/dbraw/zinc/83/57/32/1137835732.db2.gz CVYRPGYUVSCOIP-UHFFFAOYSA-N 0 1 346.471 3.888 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000883360974 1137857511 /nfs/dbraw/zinc/85/75/11/1137857511.db2.gz QCQJKUKHQSONKP-NOZJJQNGSA-N 0 1 349.299 3.755 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Br)ccc1[O-] ZINC000379986552 1137936339 /nfs/dbraw/zinc/93/63/39/1137936339.db2.gz LJPIZZBINKHHDD-JSGCOSHPSA-N 0 1 326.234 3.888 20 10 EHCDMN C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(Br)cc1[O-] ZINC000886684048 1138114776 /nfs/dbraw/zinc/11/47/76/1138114776.db2.gz CVVYZQYVTVRCOR-VIFPVBQESA-N 0 1 337.217 3.871 20 10 EHCDMN COC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000886789190 1138140915 /nfs/dbraw/zinc/14/09/15/1138140915.db2.gz QFBQKTYJKIQQLP-QOKNQOGYSA-N 0 1 329.440 3.638 20 10 EHCDMN COc1ncccc1CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151164139 1139014055 /nfs/dbraw/zinc/01/40/55/1139014055.db2.gz GZLILNKKYXZZPK-MRXNPFEDSA-N 0 1 325.456 3.931 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CCC(OC3CCCC3)CC2)c1O ZINC000175615262 1139503981 /nfs/dbraw/zinc/50/39/81/1139503981.db2.gz MNSMWBDVNUMXNV-UHFFFAOYSA-N 0 1 335.419 3.658 20 10 EHCDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000178728873 1139714985 /nfs/dbraw/zinc/71/49/85/1139714985.db2.gz ORRPELIHJLHMIF-ZDUSSCGKSA-N 0 1 329.400 3.520 20 10 EHCDMN COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000181672004 1139923615 /nfs/dbraw/zinc/92/36/15/1139923615.db2.gz SXAFNILDUGROOT-QGZVFWFLSA-N 0 1 333.815 3.726 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1nnc([C@@H]2CCCO2)o1 ZINC000181789526 1139931034 /nfs/dbraw/zinc/93/10/34/1139931034.db2.gz RPNQGXIZAVMFKR-JTQLQIEISA-N 0 1 330.171 3.546 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000691388413 1140035847 /nfs/dbraw/zinc/03/58/47/1140035847.db2.gz PXXHRWPIQXETIQ-IVMMDQJWSA-N 0 1 340.261 3.763 20 10 EHCDMN COc1cc(OC)c(CN[C@H](C)c2ccc(C)cc2O)c(OC)c1 ZINC000185066189 1140134456 /nfs/dbraw/zinc/13/44/56/1140134456.db2.gz FUVUTJZXMKJUPS-CYBMUJFWSA-N 0 1 331.412 3.577 20 10 EHCDMN C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cc(Cl)ccc1[O-] ZINC000185068722 1140134586 /nfs/dbraw/zinc/13/45/86/1140134586.db2.gz WXIFOCYVGANZIA-CQSZACIVSA-N 0 1 345.874 3.756 20 10 EHCDMN Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185396184 1140148678 /nfs/dbraw/zinc/14/86/78/1140148678.db2.gz YIHVUIXYVASYGZ-SECBINFHSA-N 0 1 339.233 3.653 20 10 EHCDMN C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cc(F)ccc1[O-] ZINC000186148763 1140188797 /nfs/dbraw/zinc/18/87/97/1140188797.db2.gz TZDVUWPLEXANNO-RDTXWAMCSA-N 0 1 331.431 3.984 20 10 EHCDMN COc1cc(F)c(N[C@@H](C)c2ccc(F)c(F)c2O)cc1OC ZINC000187876944 1140275247 /nfs/dbraw/zinc/27/52/47/1140275247.db2.gz MZDSIKIMRIRDOV-QMMMGPOBSA-N 0 1 327.302 4.000 20 10 EHCDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccn1 ZINC000270881313 1141279180 /nfs/dbraw/zinc/27/91/80/1141279180.db2.gz FLRIVFUEWKEILJ-OAGGEKHMSA-N 0 1 343.446 3.685 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](Cc2ccc(C(=O)[O-])s2)C2CC2)cc1 ZINC000830636640 602017361 /nfs/dbraw/zinc/01/73/61/602017361.db2.gz ZSZPSJCGDXVIPI-UHFFFAOYSA-N 0 1 330.453 3.677 20 10 EHCDMN COc1cc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c(O)cc1C ZINC000160291911 1017202108 /nfs/dbraw/zinc/20/21/08/1017202108.db2.gz GJWJPULAPVGWQY-VLIAUNLRSA-N 0 1 345.414 3.810 20 10 EHCDMN CC[C@@H]([NH2+]CCOC1CCC1)c1cc(Br)ccc1[O-] ZINC000690699770 1017639391 /nfs/dbraw/zinc/63/93/91/1017639391.db2.gz ASAQKMBPWZKZMN-CQSZACIVSA-N 0 1 328.250 3.765 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000328461130 1017924582 /nfs/dbraw/zinc/92/45/82/1017924582.db2.gz USYJHZYHFGULNZ-GXTWGEPZSA-N 0 1 328.250 3.763 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000377795597 1018380917 /nfs/dbraw/zinc/38/09/17/1018380917.db2.gz FYGQERHGIBQVMP-BDAKNGLRSA-N 0 1 326.227 3.630 20 10 EHCDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)cc2cccnc12 ZINC001167437667 1020184337 /nfs/dbraw/zinc/18/43/37/1020184337.db2.gz YNBRHPKGWRFRBQ-UHFFFAOYSA-N 0 1 346.478 3.907 20 10 EHCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000280333517 1020314262 /nfs/dbraw/zinc/31/42/62/1020314262.db2.gz HWESFJDGIVPXPO-KRWDZBQOSA-N 0 1 325.836 3.639 20 10 EHCDMN CC[C@@H]([NH2+][C@H](C)CCCCO)c1cc(Br)ccc1[O-] ZINC000295861501 1020553937 /nfs/dbraw/zinc/55/39/37/1020553937.db2.gz BNQYCNHYNHIQFK-BXUZGUMPSA-N 0 1 330.266 3.747 20 10 EHCDMN CN(Cc1c2c(nn1C)CCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000891398372 1020909240 /nfs/dbraw/zinc/90/92/40/1020909240.db2.gz BSGMWXZLDHZJRW-UHFFFAOYSA-N 0 1 338.499 3.531 20 10 EHCDMN CCCN(CCC)c1ccc(CNCc2n[nH]c(C(C)C)n2)cc1 ZINC000294884345 1023120458 /nfs/dbraw/zinc/12/04/58/1023120458.db2.gz VVLUJTKDYRZEEV-UHFFFAOYSA-N 0 1 329.492 3.844 20 10 EHCDMN CN(C)[C@@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000896877075 1024195824 /nfs/dbraw/zinc/19/58/24/1024195824.db2.gz DNOYLOCSMJYGDY-HNNXBMFYSA-N 0 1 326.362 3.518 20 10 EHCDMN Oc1c(F)cc(F)cc1CN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000895313441 1024280775 /nfs/dbraw/zinc/28/07/75/1024280775.db2.gz BYBYUWBAFKOESP-QGZVFWFLSA-N 0 1 335.350 3.617 20 10 EHCDMN C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cc(Cl)ccc1[O-] ZINC000281481267 1024390487 /nfs/dbraw/zinc/39/04/87/1024390487.db2.gz FVORCRYEXOYQTK-NSHDSACASA-N 0 1 337.876 3.822 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000897863430 1033214802 /nfs/dbraw/zinc/21/48/02/1033214802.db2.gz ZXDBOXMRGRJKPX-UHFFFAOYSA-N 0 1 331.799 3.596 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]C1(CO)CCCCCCC1 ZINC000713497560 1025496400 /nfs/dbraw/zinc/49/64/00/1025496400.db2.gz VGCIDZHEMNMVFS-UHFFFAOYSA-N 0 1 342.277 3.720 20 10 EHCDMN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC000897044400 1026262497 /nfs/dbraw/zinc/26/24/97/1026262497.db2.gz OIBWXDDEISNSEM-DGCLKSJQSA-N 0 1 335.835 3.725 20 10 EHCDMN CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000192882383 1026573867 /nfs/dbraw/zinc/57/38/67/1026573867.db2.gz XYHUIUMZBILQOY-CQSZACIVSA-N 0 1 342.439 3.817 20 10 EHCDMN COCCOc1ccccc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273420028 1027419082 /nfs/dbraw/zinc/41/90/82/1027419082.db2.gz RVOUXNYXUNTKOT-CYBMUJFWSA-N 0 1 335.831 3.922 20 10 EHCDMN CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1nnc2n1CCCCC2 ZINC000273466093 1027441715 /nfs/dbraw/zinc/44/17/15/1027441715.db2.gz DTFLBYRAIUXJRR-BBRMVZONSA-N 0 1 344.459 3.521 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000273505228 1027461633 /nfs/dbraw/zinc/46/16/33/1027461633.db2.gz QXEKUNJLIGSVFS-UTUOFQBUSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1[O-] ZINC000273500948 1027462279 /nfs/dbraw/zinc/46/22/79/1027462279.db2.gz QCBOZNIIJVSEAG-TVQRCGJNSA-N 0 1 336.233 3.606 20 10 EHCDMN Cc1ncc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])s1 ZINC000273561313 1027495046 /nfs/dbraw/zinc/49/50/46/1027495046.db2.gz ICQYINRFHWBKBU-MRVPVSSYSA-N 0 1 327.247 3.770 20 10 EHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000708139787 1027874900 /nfs/dbraw/zinc/87/49/00/1027874900.db2.gz IPTVCUWTVKPZCZ-CQSZACIVSA-N 0 1 346.652 3.563 20 10 EHCDMN C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000527939063 1031465077 /nfs/dbraw/zinc/46/50/77/1031465077.db2.gz MPSFATYOAWGOAD-ZANVPECISA-N 0 1 333.741 3.696 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1CCCCO1)c1cc(Br)ccc1[O-] ZINC000042812456 1031568993 /nfs/dbraw/zinc/56/89/93/1031568993.db2.gz HHQNEAMILGALLB-OCCSQVGLSA-N 0 1 328.250 3.765 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1O ZINC000898071485 1033322387 /nfs/dbraw/zinc/32/23/87/1033322387.db2.gz LUMAZFHFNSVLTK-NSHDSACASA-N 0 1 338.860 3.575 20 10 EHCDMN C[C@@H](Cc1cccs1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227436093 1034008094 /nfs/dbraw/zinc/00/80/94/1034008094.db2.gz ICMUCHDPHAHPJT-JTQLQIEISA-N 0 1 326.259 3.937 20 10 EHCDMN C[C@H](Cc1ccsc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227438901 1034008910 /nfs/dbraw/zinc/00/89/10/1034008910.db2.gz HWUZMJVHMXYESD-SNVBAGLBSA-N 0 1 326.259 3.937 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000227442718 1034009473 /nfs/dbraw/zinc/00/94/73/1034009473.db2.gz LBNNQUSBXNVLJV-UHFFFAOYSA-N 0 1 342.183 3.765 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(Br)ccc1[O-] ZINC000229553571 1034245067 /nfs/dbraw/zinc/24/50/67/1034245067.db2.gz FXKBZFGQYSKUTC-XHDPSFHLSA-N 0 1 341.293 3.678 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000185686468 1035511097 /nfs/dbraw/zinc/51/10/97/1035511097.db2.gz BAAJTGSWTZOOMR-WCQYABFASA-N 0 1 335.810 3.509 20 10 EHCDMN CCOc1ccc(CNCc2ccc(N3CCSCC3)cc2)o1 ZINC000892613132 1036658543 /nfs/dbraw/zinc/65/85/43/1036658543.db2.gz QCSOTPOIANMQLW-UHFFFAOYSA-N 0 1 332.469 3.521 20 10 EHCDMN COc1ccc(O)c([C@H](C)N[C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363855188 1038696164 /nfs/dbraw/zinc/69/61/64/1038696164.db2.gz MRBITSZVBZYMJU-XOBRGWDASA-N 0 1 337.423 3.575 20 10 EHCDMN C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185203213 1039043590 /nfs/dbraw/zinc/04/35/90/1039043590.db2.gz RZTSWYJFHOGXLQ-HNNXBMFYSA-N 0 1 334.419 3.626 20 10 EHCDMN CN1CCCc2cc(CN[C@H]3CCc4c3nccc4Cl)ccc21 ZINC000924873917 1040881359 /nfs/dbraw/zinc/88/13/59/1040881359.db2.gz ZPAMNGNXAKYTLW-KRWDZBQOSA-N 0 1 327.859 3.895 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123949067 1041257455 /nfs/dbraw/zinc/25/74/55/1041257455.db2.gz UUERXFUXNFLORF-UHFFFAOYSA-N 0 1 345.855 3.896 20 10 EHCDMN C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185267084 1126846800 /nfs/dbraw/zinc/84/68/00/1126846800.db2.gz GNVPEDMHMMRVKI-ZDUSSCGKSA-N 0 1 330.428 3.721 20 10 EHCDMN C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000185523578 1126920537 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CC[C@H]([NH2+][C@H](C)Cc1cnccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214049 1135937793 /nfs/dbraw/zinc/93/77/93/1135937793.db2.gz MRDYTFLEHDOWDB-ABAIWWIYSA-N 0 1 339.361 3.873 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217041 1135938507 /nfs/dbraw/zinc/93/85/07/1135938507.db2.gz VGNLXAYXZHSWOI-HOCLYGCPSA-N 0 1 342.405 3.936 20 10 EHCDMN CC[C@@H]([NH2+]CCCn1ccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207211 1135943640 /nfs/dbraw/zinc/94/36/40/1135943640.db2.gz FWUWRGVVLATXIL-CQSZACIVSA-N 0 1 327.350 3.739 20 10 EHCDMN CC[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238930 1135946346 /nfs/dbraw/zinc/94/63/46/1135946346.db2.gz PKKJHTITJRBFIX-ZDUSSCGKSA-N 0 1 333.350 3.605 20 10 EHCDMN CC[C@H]([NH2+][C@H](COC)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239232 1135946922 /nfs/dbraw/zinc/94/69/22/1135946922.db2.gz YAMJYBJODFLOJG-SQWLQELKSA-N 0 1 347.377 3.646 20 10 EHCDMN CC[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000811511374 1136102459 /nfs/dbraw/zinc/10/24/59/1136102459.db2.gz HNBJKVCKYTVCPY-ZDUSSCGKSA-N 0 1 342.277 3.934 20 10 EHCDMN Cc1cccc2nc(NCc3ccc(N4CCN(C)CC4)cc3)oc21 ZINC000811840036 1136143981 /nfs/dbraw/zinc/14/39/81/1136143981.db2.gz WVZMLDHAYKUALQ-UHFFFAOYSA-N 0 1 336.439 3.500 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1Cl ZINC000825537352 1136164988 /nfs/dbraw/zinc/16/49/88/1136164988.db2.gz WLLJLGLEEOBGDT-IBGZPJMESA-N 0 1 329.827 3.985 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1Cl ZINC000825537352 1136164991 /nfs/dbraw/zinc/16/49/91/1136164991.db2.gz WLLJLGLEEOBGDT-IBGZPJMESA-N 0 1 329.827 3.985 20 10 EHCDMN CN(C)c1ccc(CNCc2cc(F)ccc2OC(F)F)cc1F ZINC000850099195 1136210905 /nfs/dbraw/zinc/21/09/05/1136210905.db2.gz HGUQNFFVZJVSBP-UHFFFAOYSA-N 0 1 342.336 3.922 20 10 EHCDMN CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850484640 1136267988 /nfs/dbraw/zinc/26/79/88/1136267988.db2.gz NJVONWRANMNRPX-WPGHFRTFSA-N 0 1 347.377 3.503 20 10 EHCDMN COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000850488816 1136270136 /nfs/dbraw/zinc/27/01/36/1136270136.db2.gz UKVQXKAJCRRYKJ-HIFRSBDPSA-N 0 1 346.858 3.984 20 10 EHCDMN COC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000850494713 1136271252 /nfs/dbraw/zinc/27/12/52/1136271252.db2.gz WYWWHTBZFZPZOJ-KUHUBIRLSA-N 0 1 329.440 3.638 20 10 EHCDMN CC[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000850500980 1136272679 /nfs/dbraw/zinc/27/26/79/1136272679.db2.gz LONCSVOXZBYKJW-HOTGVXAUSA-N 0 1 344.842 3.674 20 10 EHCDMN C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(Cl)cc1[O-] ZINC000850501164 1136272899 /nfs/dbraw/zinc/27/28/99/1136272899.db2.gz MEQHCRRKHHIQCY-ZDUSSCGKSA-N 0 1 331.847 3.892 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000850557993 1136285457 /nfs/dbraw/zinc/28/54/57/1136285457.db2.gz PFJRDKQUCAWHQE-IUODEOHRSA-N 0 1 338.879 3.733 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000850581161 1136292799 /nfs/dbraw/zinc/29/27/99/1136292799.db2.gz UUYXWHFSDARSOF-VXJOIVPMSA-N 0 1 345.748 3.847 20 10 EHCDMN C[C@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc2ccccc2c1 ZINC000109770275 1136339660 /nfs/dbraw/zinc/33/96/60/1136339660.db2.gz GEYIJMKJTWEMDO-INIZCTEOSA-N 0 1 348.446 3.855 20 10 EHCDMN OC[C@@H]1Cc2ccccc2N(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000814169552 1136415002 /nfs/dbraw/zinc/41/50/02/1136415002.db2.gz JEFGGBFPCWIVSQ-LLVKDONJSA-N 0 1 338.234 3.870 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccnn1CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000853239652 1136521038 /nfs/dbraw/zinc/52/10/38/1136521038.db2.gz ITQUXVCGWQHFLJ-AWEZNQCLSA-N 0 1 327.350 3.868 20 10 EHCDMN Cc1cc(CN[C@H](c2nnc3ccccn32)C(C)C)ccc1N(C)C ZINC000815084173 1136549501 /nfs/dbraw/zinc/54/95/01/1136549501.db2.gz VVVZBZOPDXCOEQ-IBGZPJMESA-N 0 1 337.471 3.591 20 10 EHCDMN CN(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccsc1 ZINC000816531710 1136730660 /nfs/dbraw/zinc/73/06/60/1136730660.db2.gz BHEKOVLFXPDLOZ-SFHVURJKSA-N 0 1 326.465 3.999 20 10 EHCDMN COc1ccc(OC)c(CC[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816541962 1136731889 /nfs/dbraw/zinc/73/18/89/1136731889.db2.gz ZEKHVVCGKFNVSC-UHFFFAOYSA-N 0 1 337.419 3.895 20 10 EHCDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1[N+](=O)[O-] ZINC000816542048 1136731972 /nfs/dbraw/zinc/73/19/72/1136731972.db2.gz BDKNIXUKGWRBPZ-UHFFFAOYSA-N 0 1 338.363 3.752 20 10 EHCDMN C[C@H]1CN(Cc2ccc3ccccc3c2O)CCN1CC(F)(F)F ZINC000816522215 1136733149 /nfs/dbraw/zinc/73/31/49/1136733149.db2.gz OZNKBYMGFBWURN-ZDUSSCGKSA-N 0 1 338.373 3.614 20 10 EHCDMN [O-]c1c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc2ccccc12 ZINC000816560294 1136736690 /nfs/dbraw/zinc/73/66/90/1136736690.db2.gz KTESDBSWQAWYOC-NRFANRHFSA-N 0 1 337.394 3.778 20 10 EHCDMN [O-]c1c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc2ccccc12 ZINC000816560294 1136736693 /nfs/dbraw/zinc/73/66/93/1136736693.db2.gz KTESDBSWQAWYOC-NRFANRHFSA-N 0 1 337.394 3.778 20 10 EHCDMN Cc1cnn(-c2ccncc2NCc2cc(Cl)c(F)cc2O)c1 ZINC000816559420 1136736822 /nfs/dbraw/zinc/73/68/22/1136736822.db2.gz JTCLRTCSJPMKEC-UHFFFAOYSA-N 0 1 332.766 3.686 20 10 EHCDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816601079 1136739847 /nfs/dbraw/zinc/73/98/47/1136739847.db2.gz QIRRCOMWIPDWGA-UHFFFAOYSA-N 0 1 338.766 3.767 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000816600593 1136739879 /nfs/dbraw/zinc/73/98/79/1136739879.db2.gz CCOPAIIXNYPBLH-IBGZPJMESA-N 0 1 349.833 3.711 20 10 EHCDMN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccncc1 ZINC000816622028 1136742200 /nfs/dbraw/zinc/74/22/00/1136742200.db2.gz VJPZXNNSGRUUOR-HXUWFJFHSA-N 0 1 337.467 3.501 20 10 EHCDMN CCOc1cc(CNCc2ccc(N(C)C)cc2)c(F)cc1OC ZINC000858088732 1136938337 /nfs/dbraw/zinc/93/83/37/1136938337.db2.gz PKYGHFUSQWCUOU-UHFFFAOYSA-N 0 1 332.419 3.589 20 10 EHCDMN Cc1cccc(CCC[NH2+]Cc2c([O-])cccc2Br)n1 ZINC000858162524 1136945708 /nfs/dbraw/zinc/94/57/08/1136945708.db2.gz DRSZYTBQOKDSGK-UHFFFAOYSA-N 0 1 335.245 3.581 20 10 EHCDMN C[C@]1(CC[NH2+]Cc2c([O-])cccc2Br)C[C@@]1(F)Cl ZINC000858184153 1136947148 /nfs/dbraw/zinc/94/71/48/1136947148.db2.gz IKVULKFZYXUBBN-STQMWFEESA-N 0 1 336.632 3.949 20 10 EHCDMN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccns1 ZINC000858578050 1136980175 /nfs/dbraw/zinc/98/01/75/1136980175.db2.gz MJPJTTBNMZEGNC-CHWSQXEVSA-N 0 1 335.448 3.531 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529865 1137062381 /nfs/dbraw/zinc/06/23/81/1137062381.db2.gz KKPACGQMBHCYAJ-QGZVFWFLSA-N 0 1 339.838 3.966 20 10 EHCDMN CCC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000862023891 1137127424 /nfs/dbraw/zinc/12/74/24/1137127424.db2.gz KDJMAHOQZXSORT-IAGOWNOFSA-N 0 1 333.520 3.658 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824696825 1137147122 /nfs/dbraw/zinc/14/71/22/1137147122.db2.gz UULXIVHCPJGUPR-DFBGVHRSSA-N 0 1 327.827 3.700 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1[O-] ZINC000862540861 1137149195 /nfs/dbraw/zinc/14/91/95/1137149195.db2.gz LDFAIDQTDRPZSZ-LBPRGKRZSA-N 0 1 348.786 3.649 20 10 EHCDMN Cc1cnc(CC[N@@H+](C)Cc2ccc(Br)cc2[O-])s1 ZINC000824894435 1137155881 /nfs/dbraw/zinc/15/58/81/1137155881.db2.gz FBFBQYQASBGPNX-UHFFFAOYSA-N 0 1 341.274 3.594 20 10 EHCDMN Cc1cnc(CC[N@H+](C)Cc2ccc(Br)cc2[O-])s1 ZINC000824894435 1137155882 /nfs/dbraw/zinc/15/58/82/1137155882.db2.gz FBFBQYQASBGPNX-UHFFFAOYSA-N 0 1 341.274 3.594 20 10 EHCDMN CCOc1ccc(O)c(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825046726 1137163084 /nfs/dbraw/zinc/16/30/84/1137163084.db2.gz XCMKTYVTGCRYDK-CQSZACIVSA-N 0 1 337.341 3.985 20 10 EHCDMN COCCOc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825108261 1137165582 /nfs/dbraw/zinc/16/55/82/1137165582.db2.gz SFWWTNVBLHLTRD-UHFFFAOYSA-N 0 1 335.831 3.669 20 10 EHCDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)[C@@H]1n1cccn1 ZINC000825118559 1137166438 /nfs/dbraw/zinc/16/64/38/1137166438.db2.gz ULYXPBFSDVWXFK-UAGQMJEPSA-N 0 1 349.862 3.529 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3c(c2)OCCCO3)cc1Cl ZINC000825205359 1137168748 /nfs/dbraw/zinc/16/87/48/1137168748.db2.gz OMFICRIZFLUHHJ-UHFFFAOYSA-N 0 1 333.815 3.805 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1[O-] ZINC000825215794 1137169144 /nfs/dbraw/zinc/16/91/44/1137169144.db2.gz WJURTEQOCBCEBY-HNNXBMFYSA-N 0 1 342.848 3.673 20 10 EHCDMN COC[C@H](NCc1ccc(Br)cc1O)c1ccc(C)o1 ZINC000825325813 1137172948 /nfs/dbraw/zinc/17/29/48/1137172948.db2.gz KOYKUHXVJZJCEW-ZDUSSCGKSA-N 0 1 340.217 3.533 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@H]1C(=O)[O-] ZINC000863740610 1137201778 /nfs/dbraw/zinc/20/17/78/1137201778.db2.gz YOHFIAGCYLKZRH-RDTXWAMCSA-N 0 1 325.408 3.602 20 10 EHCDMN C[N@H+](Cc1cc(Br)c(F)cc1[O-])CC1CC(F)(F)C1 ZINC001144306593 1137270772 /nfs/dbraw/zinc/27/07/72/1137270772.db2.gz IELCJFHJIRNMHE-UHFFFAOYSA-N 0 1 338.167 3.771 20 10 EHCDMN CCc1cccc(CN2CCN(c3ccc(OC)cc3OC)CC2)c1 ZINC001144326716 1137275268 /nfs/dbraw/zinc/27/52/68/1137275268.db2.gz PFYSFABFCQEOLF-UHFFFAOYSA-N 0 1 340.467 3.588 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1cccc2c1CCOC2 ZINC000865724080 1137306802 /nfs/dbraw/zinc/30/68/02/1137306802.db2.gz GGVOJWNNPJVBRB-UHFFFAOYSA-N 0 1 348.240 3.517 20 10 EHCDMN CCN(CC)c1ccc(CN[C@@H](c2ccccc2F)[C@H](C)O)cc1 ZINC000846019599 1137326234 /nfs/dbraw/zinc/32/62/34/1137326234.db2.gz ZZUGDIZJZVITJS-MGPUTAFESA-N 0 1 330.447 3.884 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846110075 1137333203 /nfs/dbraw/zinc/33/32/03/1137333203.db2.gz YUHFJPPEBDSHMA-ZDUSSCGKSA-N 0 1 332.734 3.575 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc2ccccc2c1[O-] ZINC000866533922 1137362338 /nfs/dbraw/zinc/36/23/38/1137362338.db2.gz XPWSGTKSPUWHHH-NVXWUHKLSA-N 0 1 341.451 3.782 20 10 EHCDMN CCOC1CC2(C[C@@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000868357752 1137407281 /nfs/dbraw/zinc/40/72/81/1137407281.db2.gz FYHPJCNSPYQWSH-BWBHSNQOSA-N 0 1 344.238 3.520 20 10 EHCDMN COc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)c(F)c1)CCCO2 ZINC000122418206 1137436612 /nfs/dbraw/zinc/43/66/12/1137436612.db2.gz YVLKMJIWMDDQSA-GOSISDBHSA-N 0 1 344.430 3.904 20 10 EHCDMN CC[C@H](N[C@H](CO)c1ccccc1OC)c1ccc(N(C)C)cc1 ZINC000773010758 1137458673 /nfs/dbraw/zinc/45/86/73/1137458673.db2.gz RXUSUBAXRBNIMG-RBUKOAKNSA-N 0 1 328.456 3.536 20 10 EHCDMN C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cc(Cl)ccc1[O-] ZINC000872109319 1137571561 /nfs/dbraw/zinc/57/15/61/1137571561.db2.gz LFBDXGXDUCMVLU-SECBINFHSA-N 0 1 333.741 3.612 20 10 EHCDMN C[C@H]1CN(c2ccc(NCc3ccc(F)c(F)c3O)cc2)CCO1 ZINC000876866744 1137664195 /nfs/dbraw/zinc/66/41/95/1137664195.db2.gz WMQDMAZPOYFYNA-LBPRGKRZSA-N 0 1 334.366 3.508 20 10 EHCDMN CCCN1C(=O)CCc2cc(NCc3ccc(F)c(F)c3O)ccc21 ZINC000877165744 1137672075 /nfs/dbraw/zinc/67/20/75/1137672075.db2.gz LLNMZPOHENRIMU-UHFFFAOYSA-N 0 1 346.377 3.972 20 10 EHCDMN C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(Br)cc1[O-] ZINC000883381280 1137858235 /nfs/dbraw/zinc/85/82/35/1137858235.db2.gz KGOLSXBBGQIFRX-LLVKDONJSA-N 0 1 340.261 3.765 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(Br)cc1[O-] ZINC000120219062 1137947432 /nfs/dbraw/zinc/94/74/32/1137947432.db2.gz ATFNTYVDEJSQGQ-ZYHUDNBSSA-N 0 1 328.250 3.763 20 10 EHCDMN Cc1ccc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000151591632 1139046013 /nfs/dbraw/zinc/04/60/13/1139046013.db2.gz VQRIPPGLPZWVGH-MRXNPFEDSA-N 0 1 328.456 3.648 20 10 EHCDMN COC[C@H](NCc1cc(Br)ccc1O)c1ccc(C)o1 ZINC000177569929 1139626695 /nfs/dbraw/zinc/62/66/95/1139626695.db2.gz NWKXNCQYWGCEKO-ZDUSSCGKSA-N 0 1 340.217 3.533 20 10 EHCDMN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000185581152 1140156890 /nfs/dbraw/zinc/15/68/90/1140156890.db2.gz QTAISVXTKXYKOA-CYBMUJFWSA-N 0 1 325.836 3.599 20 10 EHCDMN C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(Br)cc1[O-] ZINC000186532330 1140208819 /nfs/dbraw/zinc/20/88/19/1140208819.db2.gz DNEDQNNAYWPVDM-MFKMUULPSA-N 0 1 340.217 3.522 20 10 EHCDMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cncs1 ZINC000268778692 1140989454 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Cc1c(C)c(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1O ZINC001187966459 1134412267 /nfs/dbraw/zinc/41/22/67/1134412267.db2.gz BBFKHMPVBDLHEQ-UHFFFAOYSA-N 0 1 347.223 3.512 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000792167580 1134661645 /nfs/dbraw/zinc/66/16/45/1134661645.db2.gz WJPGSTZNVVVWMY-ZDUSSCGKSA-N 0 1 339.794 3.959 20 10 EHCDMN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792175202 1134663288 /nfs/dbraw/zinc/66/32/88/1134663288.db2.gz OWCMZPJOEUPPMS-LBPRGKRZSA-N 0 1 343.826 3.738 20 10 EHCDMN COC(=O)[C@H](C)N(Cc1cc(-c2ccccc2)ccc1O)C1CCC1 ZINC000792184545 1134665514 /nfs/dbraw/zinc/66/55/14/1134665514.db2.gz HCQFGHKORAACQG-HNNXBMFYSA-N 0 1 339.435 3.975 20 10 EHCDMN CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1cc(Cl)ccc1[O-] ZINC000775490385 1134938878 /nfs/dbraw/zinc/93/88/78/1134938878.db2.gz WVRRGSWJOAKVBY-INIZCTEOSA-N 0 1 332.831 3.646 20 10 EHCDMN COc1ccc(CNCc2c(F)cccc2OC(F)(F)F)c(O)c1 ZINC000793590686 1134964288 /nfs/dbraw/zinc/96/42/88/1134964288.db2.gz NXLXTWBTOFKXGA-UHFFFAOYSA-N 0 1 345.292 3.728 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cc(Cl)ccc1[O-] ZINC000775513378 1134977497 /nfs/dbraw/zinc/97/74/97/1134977497.db2.gz YRWCWXXZTMKEDP-ZBFHGGJFSA-N 0 1 328.909 3.524 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1[O-] ZINC000775524639 1135008933 /nfs/dbraw/zinc/00/89/33/1135008933.db2.gz UTQWDXLLYVIQJY-ZBFHGGJFSA-N 0 1 331.847 3.760 20 10 EHCDMN O=C(Nc1ccc(-n2cccc2)cc1)c1cc(O)c(O)c(Cl)c1 ZINC001193589486 1135155947 /nfs/dbraw/zinc/15/59/47/1135155947.db2.gz LACVJBVGLMNHIF-UHFFFAOYSA-N 0 1 328.755 3.794 20 10 EHCDMN CN(C(=O)c1cc(O)c(O)c(Cl)c1)C(C)(C)Cc1ccccc1 ZINC001193611381 1135158890 /nfs/dbraw/zinc/15/88/90/1135158890.db2.gz CZCCUFDNSYHBCU-UHFFFAOYSA-N 0 1 333.815 3.845 20 10 EHCDMN CS[C@H]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805159439 1135240128 /nfs/dbraw/zinc/24/01/28/1135240128.db2.gz NCCSUTNHPCEMLI-QWRGUYRKSA-N 0 1 349.283 3.782 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000775661424 1135434139 /nfs/dbraw/zinc/43/41/39/1135434139.db2.gz NNFPOLXXRFXEOW-OAHLLOKOSA-N 0 1 339.794 3.959 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](c2cccs2)C1 ZINC000775663483 1135441491 /nfs/dbraw/zinc/44/14/91/1135441491.db2.gz CLXLTLRWTYLHFX-ZDUSSCGKSA-N 0 1 327.808 3.820 20 10 EHCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000775695323 1135531520 /nfs/dbraw/zinc/53/15/20/1135531520.db2.gz LCMINWFHAYELKJ-KRWDZBQOSA-N 0 1 344.842 3.673 20 10 EHCDMN O=C(CSCC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000807839989 1135576386 /nfs/dbraw/zinc/57/63/86/1135576386.db2.gz OTQKOHCIFMEKID-UHFFFAOYSA-N 0 1 348.173 3.611 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)nc1 ZINC000807834778 1135579206 /nfs/dbraw/zinc/57/92/06/1135579206.db2.gz PZJVTTCLOCJPAB-UHFFFAOYSA-N 0 1 331.586 3.677 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1nnc(-c2ccon2)s1 ZINC000808089068 1135616419 /nfs/dbraw/zinc/61/64/19/1135616419.db2.gz HDNQHFDRBCSOHQ-UHFFFAOYSA-N 0 1 343.195 3.818 20 10 EHCDMN CCc1cccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808115752 1135619339 /nfs/dbraw/zinc/61/93/39/1135619339.db2.gz RGASBERAPAJIDB-UHFFFAOYSA-N 0 1 329.780 3.548 20 10 EHCDMN Oc1ccc(Br)cc1CN1CCC[C@@H]1c1cccnc1 ZINC000809728497 1135872645 /nfs/dbraw/zinc/87/26/45/1135872645.db2.gz AAINZYQKQDORAQ-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758109 1135887615 /nfs/dbraw/zinc/88/76/15/1135887615.db2.gz COJSZEZGXSJNSK-OLZOCXBDSA-N 0 1 327.827 3.823 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214051 1135937836 /nfs/dbraw/zinc/93/78/36/1135937836.db2.gz MRDYTFLEHDOWDB-NHYWBVRUSA-N 0 1 339.361 3.873 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219005 1135938946 /nfs/dbraw/zinc/93/89/46/1135938946.db2.gz MYWSBUPOXZCGRP-LQJRIPTKSA-N 0 1 337.407 3.564 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)COCCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227085 1135940946 /nfs/dbraw/zinc/94/09/46/1135940946.db2.gz QVMRRBFKSWQDNU-FZMZJTMJSA-N 0 1 335.366 3.503 20 10 EHCDMN CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000810254083 1135948953 /nfs/dbraw/zinc/94/89/53/1135948953.db2.gz JIICHNXTFDFZQT-VXGBXAGGSA-N 0 1 329.282 3.534 20 10 EHCDMN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000811511728 1136103098 /nfs/dbraw/zinc/10/30/98/1136103098.db2.gz SDHAWDCHDALVND-ZDUSSCGKSA-N 0 1 342.823 3.733 20 10 EHCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC[C@H](n2cccn2)C1)CCCC3 ZINC000812294233 1136195285 /nfs/dbraw/zinc/19/52/85/1136195285.db2.gz IEPJKWUZDSYPRH-AWEZNQCLSA-N 0 1 337.423 3.661 20 10 EHCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC[C@H](n2cccn2)C1)CCCC3 ZINC000812294233 1136195289 /nfs/dbraw/zinc/19/52/89/1136195289.db2.gz IEPJKWUZDSYPRH-AWEZNQCLSA-N 0 1 337.423 3.661 20 10 EHCDMN FC(F)(F)[C@@H](CNCc1ccc2c(c1)CCO2)OC1CCCC1 ZINC000850355978 1136240129 /nfs/dbraw/zinc/24/01/29/1136240129.db2.gz PKZLFDDHGCMWEU-MRXNPFEDSA-N 0 1 329.362 3.601 20 10 EHCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000812850849 1136261406 /nfs/dbraw/zinc/26/14/06/1136261406.db2.gz YNHXTMXTWDRZLO-YJYMSZOUSA-N 0 1 345.414 3.678 20 10 EHCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000812850849 1136261407 /nfs/dbraw/zinc/26/14/07/1136261407.db2.gz YNHXTMXTWDRZLO-YJYMSZOUSA-N 0 1 345.414 3.678 20 10 EHCDMN C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000850495878 1136271536 /nfs/dbraw/zinc/27/15/36/1136271536.db2.gz KIMYIPGLJKPMFK-QVQLBTGDSA-N 0 1 345.386 3.507 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc2ccccc2c1[O-] ZINC000850500615 1136272777 /nfs/dbraw/zinc/27/27/77/1136272777.db2.gz FLUKHECXHZJVPL-SUMZGMNUSA-N 0 1 331.481 3.886 20 10 EHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000747832239 1136279914 /nfs/dbraw/zinc/27/99/14/1136279914.db2.gz OOEDVVPRLNXBGG-SJORKVTESA-N 0 1 341.451 3.803 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000747832239 1136279917 /nfs/dbraw/zinc/27/99/17/1136279917.db2.gz OOEDVVPRLNXBGG-SJORKVTESA-N 0 1 341.451 3.803 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000747832239 1136279920 /nfs/dbraw/zinc/27/99/20/1136279920.db2.gz OOEDVVPRLNXBGG-SJORKVTESA-N 0 1 341.451 3.803 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000850580331 1136292255 /nfs/dbraw/zinc/29/22/55/1136292255.db2.gz KQGXEKTYOGETRZ-ANRSDYALSA-N 0 1 345.748 3.847 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc2n[nH]cc21 ZINC000813684353 1136356334 /nfs/dbraw/zinc/35/63/34/1136356334.db2.gz OKEBYLYPNBCDJR-UHFFFAOYSA-N 0 1 336.178 3.505 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000816510626 1136728786 /nfs/dbraw/zinc/72/87/86/1136728786.db2.gz AZJKADXZUOJLEJ-KRWDZBQOSA-N 0 1 335.806 3.667 20 10 EHCDMN C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccc(F)cc1F ZINC000816550943 1136732916 /nfs/dbraw/zinc/73/29/16/1136732916.db2.gz IZRMZQIFFKKMJH-FQEVSTJZSA-N 0 1 343.373 3.821 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000816611006 1136741267 /nfs/dbraw/zinc/74/12/67/1136741267.db2.gz FOPDABNAHSBGJK-STQMWFEESA-N 0 1 327.827 3.823 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816668525 1136743553 /nfs/dbraw/zinc/74/35/53/1136743553.db2.gz QNFJBRCKUSHFRW-UHFFFAOYSA-N 0 1 343.789 3.886 20 10 EHCDMN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000816647242 1136744140 /nfs/dbraw/zinc/74/41/40/1136744140.db2.gz PWBGWSYBYGWXOQ-JGVFFNPUSA-N 0 1 349.066 3.757 20 10 EHCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000816647242 1136744143 /nfs/dbraw/zinc/74/41/43/1136744143.db2.gz PWBGWSYBYGWXOQ-JGVFFNPUSA-N 0 1 349.066 3.757 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000817881301 1136843278 /nfs/dbraw/zinc/84/32/78/1136843278.db2.gz IXXNXOIWCPFEMU-WMZOPIPTSA-N 0 1 332.488 3.856 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000817944064 1136849044 /nfs/dbraw/zinc/84/90/44/1136849044.db2.gz XCTFTAZJRDZMBG-ZWKOTPCHSA-N 0 1 347.890 3.852 20 10 EHCDMN C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000817954924 1136851224 /nfs/dbraw/zinc/85/12/24/1136851224.db2.gz MYIRTHWMUHJKKV-NHYWBVRUSA-N 0 1 335.245 3.505 20 10 EHCDMN CC[C@@H](NC[C@]1(COC)CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817974652 1136853762 /nfs/dbraw/zinc/85/37/62/1136853762.db2.gz NBSCMZSFHISVGK-ZBFHGGJFSA-N 0 1 347.286 3.508 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc(Br)cc(Cl)c1[O-] ZINC000818616120 1136886066 /nfs/dbraw/zinc/88/60/66/1136886066.db2.gz TVPSQQRYNXNGKF-BZHVJNSISA-N 0 1 347.684 3.729 20 10 EHCDMN CCc1cnc(CC[NH2+]Cc2c([O-])cccc2Br)s1 ZINC000858146887 1136944151 /nfs/dbraw/zinc/94/41/51/1136944151.db2.gz CJYWCYPJYLTYHJ-UHFFFAOYSA-N 0 1 341.274 3.506 20 10 EHCDMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)n[nH]1 ZINC000858160265 1136945129 /nfs/dbraw/zinc/94/51/29/1136945129.db2.gz GKGJAXHYLLRHHU-MNOVXSKESA-N 0 1 337.418 3.513 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000858173080 1136946680 /nfs/dbraw/zinc/94/66/80/1136946680.db2.gz QDNWLFJJSSKNKM-GFCCVEGCSA-N 0 1 340.261 3.594 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000858186197 1136947743 /nfs/dbraw/zinc/94/77/43/1136947743.db2.gz UGRQJMOIRSBIII-HZPDHXFCSA-N 0 1 340.261 3.592 20 10 EHCDMN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnn3)C1)oc1ccccc12 ZINC000819898331 1136965826 /nfs/dbraw/zinc/96/58/26/1136965826.db2.gz WWVUPOZZYMBOOC-OAHLLOKOSA-N 0 1 348.406 3.720 20 10 EHCDMN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnn3)C1)oc1ccccc12 ZINC000819898331 1136965828 /nfs/dbraw/zinc/96/58/28/1136965828.db2.gz WWVUPOZZYMBOOC-OAHLLOKOSA-N 0 1 348.406 3.720 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858471015 1136970599 /nfs/dbraw/zinc/97/05/99/1136970599.db2.gz QKGZVEQOXVBFGU-OCCSQVGLSA-N 0 1 343.345 3.714 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000859543141 1137018970 /nfs/dbraw/zinc/01/89/70/1137018970.db2.gz UYIOHUGNPNTRJU-KGLIPLIRSA-N 0 1 325.861 3.718 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529864 1137062621 /nfs/dbraw/zinc/06/26/21/1137062621.db2.gz KKPACGQMBHCYAJ-KRWDZBQOSA-N 0 1 339.838 3.966 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000862249404 1137134918 /nfs/dbraw/zinc/13/49/18/1137134918.db2.gz OHTGHBXMDMAGMP-UHFFFAOYSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000862366073 1137140722 /nfs/dbraw/zinc/14/07/22/1137140722.db2.gz CJFIFANQWKGJAF-UHFFFAOYSA-N 0 1 347.256 3.929 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000862398598 1137142610 /nfs/dbraw/zinc/14/26/10/1137142610.db2.gz MTBOOEFKFWCCSE-SWLSCSKDSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000862398598 1137142612 /nfs/dbraw/zinc/14/26/12/1137142612.db2.gz MTBOOEFKFWCCSE-SWLSCSKDSA-N 0 1 340.261 3.546 20 10 EHCDMN CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000862484879 1137146642 /nfs/dbraw/zinc/14/66/42/1137146642.db2.gz CVKFQOMANNSYPT-UHFFFAOYSA-N 0 1 332.831 3.627 20 10 EHCDMN CN(Cc1c(O)cccc1Cl)[C@@H](CO)c1ccc(Cl)cc1 ZINC000824691150 1137148378 /nfs/dbraw/zinc/14/83/78/1137148378.db2.gz VKPFKWIWCJLBAJ-HNNXBMFYSA-N 0 1 326.223 3.864 20 10 EHCDMN CC(C)n1cc(C2=CCC[N@@H+](Cc3cccc(Cl)c3[O-])CC2)nn1 ZINC000824738938 1137149056 /nfs/dbraw/zinc/14/90/56/1137149056.db2.gz TUQTXOAMPNXGLL-UHFFFAOYSA-N 0 1 346.862 3.897 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862541626 1137149430 /nfs/dbraw/zinc/14/94/30/1137149430.db2.gz XZJAOBUXRHLKPK-CYBMUJFWSA-N 0 1 348.240 3.850 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862541626 1137149431 /nfs/dbraw/zinc/14/94/31/1137149431.db2.gz XZJAOBUXRHLKPK-CYBMUJFWSA-N 0 1 348.240 3.850 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000824709713 1137149494 /nfs/dbraw/zinc/14/94/94/1137149494.db2.gz SFWPHPXSMCBZGR-HZUKXOBISA-N 0 1 347.377 3.503 20 10 EHCDMN [O-]c1c(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)ccc2ccccc21 ZINC000824932415 1137158298 /nfs/dbraw/zinc/15/82/98/1137158298.db2.gz OUJCLSNGVIDGMA-UYAOXDASSA-N 0 1 334.419 3.950 20 10 EHCDMN c1coc([C@H]2N(Cc3ccc(N4CCOCC4)cc3)CC23CCC3)c1 ZINC000825104374 1137163527 /nfs/dbraw/zinc/16/35/27/1137163527.db2.gz VJTBMPCMWLMLTI-HXUWFJFHSA-N 0 1 338.451 3.843 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000825277535 1137172632 /nfs/dbraw/zinc/17/26/32/1137172632.db2.gz BPIDGOHUSUAQAH-QGZVFWFLSA-N 0 1 348.240 3.558 20 10 EHCDMN COc1cc(F)c(CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000845956065 1137320364 /nfs/dbraw/zinc/32/03/64/1137320364.db2.gz IQTXQWRIUATZKB-CYBMUJFWSA-N 0 1 332.419 3.760 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cc(F)c(OC)cc2OC)cc1 ZINC000845925434 1137320662 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COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000183935442 1140066863 /nfs/dbraw/zinc/06/68/63/1140066863.db2.gz UGQCIWRRQTVSQE-NSHDSACASA-N 0 1 330.266 3.868 20 10 EHCDMN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000186074737 1140185829 /nfs/dbraw/zinc/18/58/29/1140185829.db2.gz SZZPSMHRCUOMPB-MNOVXSKESA-N 0 1 330.266 3.602 20 10 EHCDMN CC[C@@H]([NH2+]CCc1cscn1)c1cc(Br)ccc1[O-] ZINC000104448663 219387437 /nfs/dbraw/zinc/38/74/37/219387437.db2.gz JQWRSOMCQBWDSB-CYBMUJFWSA-N 0 1 341.274 3.895 20 10 EHCDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000828029048 601893378 /nfs/dbraw/zinc/89/33/78/601893378.db2.gz OBLOLCJVDUTHKR-LJQANCHMSA-N 0 1 325.364 3.588 20 10 EHCDMN COc1cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001594056746 958042524 /nfs/dbraw/zinc/04/25/24/958042524.db2.gz XONYQUHHRLAQJU-UHFFFAOYSA-N 0 1 337.460 3.631 20 10 EHCDMN C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598530585 992774657 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C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(Br)cc1[O-] ZINC000834906795 1021109759 /nfs/dbraw/zinc/10/97/59/1021109759.db2.gz ZRNAXJSWPVBMKO-VXGBXAGGSA-N 0 1 328.250 3.622 20 10 EHCDMN C[C@@H](NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ncnn1C ZINC000276682636 1022241384 /nfs/dbraw/zinc/24/13/84/1022241384.db2.gz LVNIVLMJPSZVQH-CYBMUJFWSA-N 0 1 344.503 3.967 20 10 EHCDMN CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000293728606 1022902135 /nfs/dbraw/zinc/90/21/35/1022902135.db2.gz OEVQICWGNONJBV-SECBINFHSA-N 0 1 339.233 3.864 20 10 EHCDMN CCOC1(C)CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000292728248 1023102523 /nfs/dbraw/zinc/10/25/23/1023102523.db2.gz FZRQKNMFGJODNB-UHFFFAOYSA-N 0 1 328.250 3.546 20 10 EHCDMN C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1c(O)ccc2ccccc21 ZINC000176125719 1023183268 /nfs/dbraw/zinc/18/32/68/1023183268.db2.gz IUGXSFRXYPQETN-XMMPIXPASA-N 0 1 339.460 3.915 20 10 EHCDMN COc1cc(OC)c(N[C@H](C)c2ccc(F)c(F)c2O)cc1F ZINC000276854529 1023225364 /nfs/dbraw/zinc/22/53/64/1023225364.db2.gz BKYRYQQMTFEWDV-MRVPVSSYSA-N 0 1 327.302 4.000 20 10 EHCDMN O=C(C[C@@H]1CCC2(CCC2)O1)NCc1cc(Cl)cc(Cl)c1O ZINC000897768731 1033158165 /nfs/dbraw/zinc/15/81/65/1033158165.db2.gz HUQPSIIALNCDLO-LBPRGKRZSA-N 0 1 344.238 3.807 20 10 EHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001142520267 1033190669 /nfs/dbraw/zinc/19/06/69/1033190669.db2.gz FCKPTOHHQRYEQY-GFCCVEGCSA-N 0 1 341.304 3.602 20 10 EHCDMN CCO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)c(C)cc1[O-])CCO2 ZINC000897974895 1033251359 /nfs/dbraw/zinc/25/13/59/1033251359.db2.gz RZXSKVWOPROIHC-SJORKVTESA-N 0 1 325.836 3.519 20 10 EHCDMN COC1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000840793326 1026311525 /nfs/dbraw/zinc/31/15/25/1026311525.db2.gz XDIAYJGSAZCCSJ-PKSQDBQZSA-N 0 1 328.250 3.763 20 10 EHCDMN CCC(CC)C(=O)N1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113324735 1026549196 /nfs/dbraw/zinc/54/91/96/1026549196.db2.gz VAKAVBZUXXJKQW-UHFFFAOYSA-N 0 1 338.879 3.562 20 10 EHCDMN 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CC[C@H]([NH2+][C@@H]1CCCOCC1)c1cc(Br)ccc1[O-] ZINC000186310100 1042657176 /nfs/dbraw/zinc/65/71/76/1042657176.db2.gz WWFNHUANDTUPCN-OCCSQVGLSA-N 0 1 328.250 3.765 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000862347567 1137139113 /nfs/dbraw/zinc/13/91/13/1137139113.db2.gz GPEPNKJUAHXJOL-SECBINFHSA-N 0 1 338.167 3.929 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000862347567 1137139114 /nfs/dbraw/zinc/13/91/14/1137139114.db2.gz GPEPNKJUAHXJOL-SECBINFHSA-N 0 1 338.167 3.929 20 10 EHCDMN C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1cc(F)ccc1[O-] ZINC000185008006 1126734650 /nfs/dbraw/zinc/73/46/50/1126734650.db2.gz QSKSCOFWINFSMS-HNNXBMFYSA-N 0 1 329.415 3.930 20 10 EHCDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000764018958 1127311325 /nfs/dbraw/zinc/31/13/25/1127311325.db2.gz LWASTXWKBIWWTG-UHFFFAOYSA-N 0 1 340.471 3.762 20 10 EHCDMN CC[C@H]1CCCCN1C(=O)CN(C)Cc1ccc(N(CC)CC)cc1 ZINC000764818512 1127538527 /nfs/dbraw/zinc/53/85/27/1127538527.db2.gz GJYDAMCSWNXSDT-IBGZPJMESA-N 0 1 345.531 3.756 20 10 EHCDMN CCOc1ccc(CN2CCN([C@@H](C)c3ccsc3)CC2)c(O)c1 ZINC000765719568 1127736766 /nfs/dbraw/zinc/73/67/66/1127736766.db2.gz NIPLHQMYCNGNAJ-HNNXBMFYSA-N 0 1 346.496 3.731 20 10 EHCDMN Cc1cnc(Cl)c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000921593893 1127755916 /nfs/dbraw/zinc/75/59/16/1127755916.db2.gz VNUZHPLLWTWVIO-OAHLLOKOSA-N 0 1 345.874 3.731 20 10 EHCDMN COc1ccc([C@H]2C[C@@H]([N@H+]3CCc4cccc(O)c4C3)CCO2)cc1 ZINC001168665236 1128744749 /nfs/dbraw/zinc/74/47/49/1128744749.db2.gz NRZPMFUCNCPERH-LAUBAEHRSA-N 0 1 339.435 3.679 20 10 EHCDMN CC(C)N(CC(=O)Nc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000917075231 1122472253 /nfs/dbraw/zinc/47/22/53/1122472253.db2.gz SIYQESHCVXHAMZ-UHFFFAOYSA-N 0 1 325.456 3.602 20 10 EHCDMN CC(C)N(CC(=O)Nc1ccccc1F)Cc1ccc(N(C)C)cc1 ZINC000917075484 1122473257 /nfs/dbraw/zinc/47/32/57/1122473257.db2.gz WWVDWFHQQDWOPU-UHFFFAOYSA-N 0 1 343.446 3.741 20 10 EHCDMN CC(C)NC(=O)CN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000732499517 1130928394 /nfs/dbraw/zinc/92/83/94/1130928394.db2.gz AFACDLCYASQGOX-UHFFFAOYSA-N 0 1 348.531 3.944 20 10 EHCDMN COC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000739922369 1131517637 /nfs/dbraw/zinc/51/76/37/1131517637.db2.gz QPXHEQKYVRMQDH-GOSISDBHSA-N 0 1 340.467 3.554 20 10 EHCDMN COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])CC1 ZINC001172798361 1131858454 /nfs/dbraw/zinc/85/84/54/1131858454.db2.gz MFZBMVLHHPUSBU-KBXCAEBGSA-N 0 1 327.424 3.757 20 10 EHCDMN CC[N@H+](CCOC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000743871014 1131996665 /nfs/dbraw/zinc/99/66/65/1131996665.db2.gz LZSKCXGQHGNMRJ-UHFFFAOYSA-N 0 1 330.266 3.792 20 10 EHCDMN CC[N@@H+](CCOC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000743871014 1131996673 /nfs/dbraw/zinc/99/66/73/1131996673.db2.gz LZSKCXGQHGNMRJ-UHFFFAOYSA-N 0 1 330.266 3.792 20 10 EHCDMN CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001173655123 1132123181 /nfs/dbraw/zinc/12/31/81/1132123181.db2.gz XGAFLOVAUKMBKH-KBXCAEBGSA-N 0 1 327.424 3.757 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)N(C)Cc2ccccc2)c(Cl)c1 ZINC001177864610 1133108552 /nfs/dbraw/zinc/10/85/52/1133108552.db2.gz MYBTTZATJPHXSQ-HNNXBMFYSA-N 0 1 332.875 3.964 20 10 EHCDMN CN(C)c1ccc(CN2CCC(C(=O)c3ccccc3)CC2)cc1F ZINC000768224832 1133114498 /nfs/dbraw/zinc/11/44/98/1133114498.db2.gz ANYKKFZOQGTWHW-UHFFFAOYSA-N 0 1 340.442 3.987 20 10 EHCDMN C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768262175 1133119048 /nfs/dbraw/zinc/11/90/48/1133119048.db2.gz HLJYPPHSECGLNC-UHFFFAOYSA-N 0 1 342.729 3.864 20 10 EHCDMN Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c2cccnc12 ZINC001178041679 1133131053 /nfs/dbraw/zinc/13/10/53/1133131053.db2.gz AQOUHOWQYLAOOU-UHFFFAOYSA-N 0 1 346.478 3.907 20 10 EHCDMN COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000768421333 1133137438 /nfs/dbraw/zinc/13/74/38/1133137438.db2.gz MMNAXTLPIPWZDM-UHFFFAOYSA-N 0 1 333.815 3.611 20 10 EHCDMN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000768421333 1133137439 /nfs/dbraw/zinc/13/74/39/1133137439.db2.gz MMNAXTLPIPWZDM-UHFFFAOYSA-N 0 1 333.815 3.611 20 10 EHCDMN CCN(CC)c1ccc(CN(CCO)Cc2ccccc2OC)cc1 ZINC000768762763 1133174274 /nfs/dbraw/zinc/17/42/74/1133174274.db2.gz WQIKLYZOHANICQ-UHFFFAOYSA-N 0 1 342.483 3.536 20 10 EHCDMN C[C@H]1c2ccccc2CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769351944 1133269234 /nfs/dbraw/zinc/26/92/34/1133269234.db2.gz OBAOWBCBNCRQQX-INIZCTEOSA-N 0 1 340.442 3.782 20 10 EHCDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000769385657 1133274386 /nfs/dbraw/zinc/27/43/86/1133274386.db2.gz ZTJXCNHSBNOPJU-UHFFFAOYSA-N 0 1 342.395 3.951 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769486105 1133289036 /nfs/dbraw/zinc/28/90/36/1133289036.db2.gz SEQICGNFLZSRDV-MRXNPFEDSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1c(F)cc(F)cc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC001180573696 1133388203 /nfs/dbraw/zinc/38/82/03/1133388203.db2.gz BCQUFRXHPLXYDW-AWEZNQCLSA-N 0 1 339.407 3.913 20 10 EHCDMN COc1cccc(O)c1CN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000770333017 1133406266 /nfs/dbraw/zinc/40/62/66/1133406266.db2.gz VDXKLCMMWZDTPP-UHFFFAOYSA-N 0 1 341.329 3.931 20 10 EHCDMN CN(Cc1cc(Cl)cn1C)Cc1cc(Br)ccc1O ZINC000770303483 1133409393 /nfs/dbraw/zinc/40/93/93/1133409393.db2.gz HLAAONZNGOPPQM-UHFFFAOYSA-N 0 1 343.652 3.779 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1Cl ZINC001182160010 1133580857 /nfs/dbraw/zinc/58/08/57/1133580857.db2.gz DIXJDRIAYUCERI-QGZVFWFLSA-N 0 1 342.870 3.991 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1Cl ZINC001182160010 1133580861 /nfs/dbraw/zinc/58/08/61/1133580861.db2.gz DIXJDRIAYUCERI-QGZVFWFLSA-N 0 1 342.870 3.991 20 10 EHCDMN C[N@@H+](CCOc1ccccc1)Cc1cccc(Br)c1[O-] ZINC000771930619 1133611918 /nfs/dbraw/zinc/61/19/18/1133611918.db2.gz NFKBFESLXAAILX-UHFFFAOYSA-N 0 1 336.229 3.666 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)cc1Cl ZINC001182616402 1133711778 /nfs/dbraw/zinc/71/17/78/1133711778.db2.gz OMJKTXVYGQLKGN-HNNXBMFYSA-N 0 1 327.852 3.810 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774909421 1134117101 /nfs/dbraw/zinc/11/71/01/1134117101.db2.gz MSGKAZAFKGUFQB-WFASDCNBSA-N 0 1 346.383 3.875 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774909421 1134117104 /nfs/dbraw/zinc/11/71/04/1134117104.db2.gz MSGKAZAFKGUFQB-WFASDCNBSA-N 0 1 346.383 3.875 20 10 EHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000790409701 1134412901 /nfs/dbraw/zinc/41/29/01/1134412901.db2.gz UXYXUFVSDQWEAZ-UHFFFAOYSA-N 0 1 341.816 3.554 20 10 EHCDMN CCc1ccc([C@H]2CN(Cc3cc(C)cc(OC)c3O)CCO2)cc1 ZINC000790462763 1134417572 /nfs/dbraw/zinc/41/75/72/1134417572.db2.gz YEMYNVCLMLYFMB-HXUWFJFHSA-N 0 1 341.451 3.845 20 10 EHCDMN CO[C@@H](C)c1nc(CNCc2c(O)ccc(Cl)c2F)cs1 ZINC000790972922 1134493852 /nfs/dbraw/zinc/49/38/52/1134493852.db2.gz KNFSZAKEJJYMHS-QMMMGPOBSA-N 0 1 330.812 3.638 20 10 EHCDMN COc1ccc(CN(C)Cc2c(O)ccc(Cl)c2F)c(OC)c1 ZINC000792157543 1134658966 /nfs/dbraw/zinc/65/89/66/1134658966.db2.gz YFZFULZWDJMJCG-UHFFFAOYSA-N 0 1 339.794 3.834 20 10 EHCDMN COc1cc2c(c(CN[C@@H](C)c3ccc(N(C)C)cc3)c1)O[C@@H](C)C2 ZINC000775365095 1134667183 /nfs/dbraw/zinc/66/71/83/1134667183.db2.gz SMMMYDGABIPOMH-GJZGRUSLSA-N 0 1 340.467 3.935 20 10 EHCDMN CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000775371707 1134674929 /nfs/dbraw/zinc/67/49/29/1134674929.db2.gz POOCERIDLDHNFF-GDBMZVCRSA-N 0 1 342.277 3.838 20 10 EHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793228566 1134879080 /nfs/dbraw/zinc/87/90/80/1134879080.db2.gz NOHFVOXYMDGGQX-XCBNKYQSSA-N 0 1 338.713 3.727 20 10 EHCDMN CC[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000775485159 1134925987 /nfs/dbraw/zinc/92/59/87/1134925987.db2.gz OFIBYYHJHDKJQR-GOEBONIOSA-N 0 1 327.852 3.672 20 10 EHCDMN CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(C)c(O)cc1C ZINC001191820769 1134928803 /nfs/dbraw/zinc/92/88/03/1134928803.db2.gz GDDKZOKGMFTNKO-UHFFFAOYSA-N 0 1 335.425 3.517 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775491163 1134936714 /nfs/dbraw/zinc/93/67/14/1134936714.db2.gz ZAZAWWWUNBOFBB-CRAIPNDOSA-N 0 1 333.859 3.938 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1cc(Cl)ccc1[O-] ZINC000775493214 1134946266 /nfs/dbraw/zinc/94/62/66/1134946266.db2.gz VOFPHMJPXULORN-GDBMZVCRSA-N 0 1 331.847 3.742 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775555197 1135069060 /nfs/dbraw/zinc/06/90/60/1135069060.db2.gz SWPCZKYKJRRPFC-RISCZKNCSA-N 0 1 342.867 4.000 20 10 EHCDMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc2c(c1)CCO2 ZINC000078819600 1135106002 /nfs/dbraw/zinc/10/60/02/1135106002.db2.gz PHHOWXNGPOSQKS-UHFFFAOYSA-N 0 1 333.435 3.714 20 10 EHCDMN O=C(NCCc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000804857371 1135213139 /nfs/dbraw/zinc/21/31/39/1135213139.db2.gz CJPPEUBAEPGIPG-UHFFFAOYSA-N 0 1 339.222 3.741 20 10 EHCDMN O=C(NCc1ccc(Cl)o1)NCc1cc(Cl)cc(Cl)c1O ZINC000805179588 1135243836 /nfs/dbraw/zinc/24/38/36/1135243836.db2.gz JTUJYMZDVPZBKC-UHFFFAOYSA-N 0 1 349.601 3.945 20 10 EHCDMN Cc1cccc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1O ZINC000775676087 1135499025 /nfs/dbraw/zinc/49/90/25/1135499025.db2.gz KUDCEFZTIJSINC-QGZVFWFLSA-N 0 1 349.377 3.876 20 10 EHCDMN Oc1c(Cl)cccc1CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000775676168 1135499739 /nfs/dbraw/zinc/49/97/39/1135499739.db2.gz NLMBWXYRVIOMCX-UHFFFAOYSA-N 0 1 327.815 3.971 20 10 EHCDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1c(O)cccc1Br ZINC001205752390 1135510399 /nfs/dbraw/zinc/51/03/99/1135510399.db2.gz KJLSJDKHEWSEDZ-QWHCGFSZSA-N 0 1 342.277 3.670 20 10 EHCDMN C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC001205752390 1135510404 /nfs/dbraw/zinc/51/04/04/1135510404.db2.gz KJLSJDKHEWSEDZ-QWHCGFSZSA-N 0 1 342.277 3.670 20 10 EHCDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1c([O-])cccc1Br ZINC001205752390 1135510409 /nfs/dbraw/zinc/51/04/09/1135510409.db2.gz KJLSJDKHEWSEDZ-QWHCGFSZSA-N 0 1 342.277 3.670 20 10 EHCDMN COC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCCC1 ZINC000807836525 1135580134 /nfs/dbraw/zinc/58/01/34/1135580134.db2.gz ZKAQKZXOCUNBGD-UHFFFAOYSA-N 0 1 332.227 3.665 20 10 EHCDMN COc1cccc(F)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836617 1135580647 /nfs/dbraw/zinc/58/06/47/1135580647.db2.gz HLKFNKPIXWMLHE-UHFFFAOYSA-N 0 1 344.169 3.777 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1nccc(N2CCCC2)n1 ZINC000808089330 1135617066 /nfs/dbraw/zinc/61/70/66/1135617066.db2.gz KMFMSHDGCSDTNV-UHFFFAOYSA-N 0 1 339.226 3.701 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000808430857 1135674430 /nfs/dbraw/zinc/67/44/30/1135674430.db2.gz KTXOUDDSJCFGBW-CYBMUJFWSA-N 0 1 326.223 3.565 20 10 EHCDMN COC(=O)c1oc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775829931 1135784848 /nfs/dbraw/zinc/78/48/48/1135784848.db2.gz AZZSPXCFLTUFBF-KGLIPLIRSA-N 0 1 330.428 3.852 20 10 EHCDMN Cc1ccccc1NC(=S)Nc1cccc(N2CCN(C)CC2)c1 ZINC001198420338 1135813397 /nfs/dbraw/zinc/81/33/97/1135813397.db2.gz BFNCJQWCDQSRJC-UHFFFAOYSA-N 0 1 340.496 3.556 20 10 EHCDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1c([O-])ccc(Cl)c1F ZINC000809688199 1135872053 /nfs/dbraw/zinc/87/20/53/1135872053.db2.gz DUZBFSNNJXWUEK-UHFFFAOYSA-N 0 1 338.766 3.767 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214052 1135938132 /nfs/dbraw/zinc/93/81/32/1135938132.db2.gz MRDYTFLEHDOWDB-XHDPSFHLSA-N 0 1 339.361 3.873 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220405 1135939415 /nfs/dbraw/zinc/93/94/15/1135939415.db2.gz WUSOPQOCTWVJPU-YGRLFVJLSA-N 0 1 327.350 3.946 20 10 EHCDMN CC[C@@H]([NH2+]CCNc1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220096 1135939483 /nfs/dbraw/zinc/93/94/83/1135939483.db2.gz PJUWGBRPAASQLK-CQSZACIVSA-N 0 1 339.361 3.959 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)CO[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221952 1135939527 /nfs/dbraw/zinc/93/95/27/1135939527.db2.gz LNSWSVBLUDQMPP-WHOFXGATSA-N 0 1 347.377 3.646 20 10 EHCDMN C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000810246259 1135947621 /nfs/dbraw/zinc/94/76/21/1135947621.db2.gz LULVSNKUBGLPDH-IRWQIABSSA-N 0 1 331.843 3.862 20 10 EHCDMN COCc1nc(CN[C@H](C)c2cc3c(cc2O)CCCC3)cs1 ZINC000810253103 1135948831 /nfs/dbraw/zinc/94/88/31/1135948831.db2.gz LNYRDTLIQBWXNZ-GFCCVEGCSA-N 0 1 332.469 3.725 20 10 EHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811736791 1136132822 /nfs/dbraw/zinc/13/28/22/1136132822.db2.gz VZFWJNOHFXCPOV-LJQANCHMSA-N 0 1 343.515 3.568 20 10 EHCDMN COCC[C@@H]1CCCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825537311 1136165062 /nfs/dbraw/zinc/16/50/62/1136165062.db2.gz VBQMMJJCOWUKBZ-ZDUSSCGKSA-N 0 1 342.277 3.793 20 10 EHCDMN COCC[C@@H]1CCCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825537311 1136165065 /nfs/dbraw/zinc/16/50/65/1136165065.db2.gz VBQMMJJCOWUKBZ-ZDUSSCGKSA-N 0 1 342.277 3.793 20 10 EHCDMN Fc1cc(CNc2cc3c(cn2)CCCC3)ccc1N1CCOCC1 ZINC000812345621 1136200671 /nfs/dbraw/zinc/20/06/71/1136200671.db2.gz GMDLLVIILKWTNO-UHFFFAOYSA-N 0 1 341.430 3.548 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000850494786 1136270919 /nfs/dbraw/zinc/27/09/19/1136270919.db2.gz RYGYRGWBKKIVQL-AAEUAGOBSA-N 0 1 341.293 3.678 20 10 EHCDMN CC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(C(F)(F)F)cc1O ZINC000850499425 1136272026 /nfs/dbraw/zinc/27/20/26/1136272026.db2.gz PHLVAGGWYQXBQZ-JIMOISOXSA-N 0 1 340.349 3.749 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000850500981 1136272757 /nfs/dbraw/zinc/27/27/57/1136272757.db2.gz LONCSVOXZBYKJW-HZPDHXFCSA-N 0 1 344.842 3.674 20 10 EHCDMN Cc1ccncc1CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000850505338 1136273267 /nfs/dbraw/zinc/27/32/67/1136273267.db2.gz BFIOIJHXCNWPSR-GFCCVEGCSA-N 0 1 335.245 3.751 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Br)ccc1[O-] ZINC000850523460 1136277487 /nfs/dbraw/zinc/27/74/87/1136277487.db2.gz AISDTJBYFFLCKA-PWSUYJOCSA-N 0 1 326.234 3.517 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cn1 ZINC000850567761 1136288141 /nfs/dbraw/zinc/28/81/41/1136288141.db2.gz INBVILRGNCSQRN-CQSZACIVSA-N 0 1 345.874 3.547 20 10 EHCDMN Cc1ccncc1/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682537 1136356142 /nfs/dbraw/zinc/35/61/42/1136356142.db2.gz FLMSJBSGIMPQLF-IHWYPQMZSA-N 0 1 337.206 3.732 20 10 EHCDMN Cc1cc(CN[C@@H](c2nnc3ccccn32)C(C)C)ccc1N(C)C ZINC000815084174 1136549403 /nfs/dbraw/zinc/54/94/03/1136549403.db2.gz VVVZBZOPDXCOEQ-LJQANCHMSA-N 0 1 337.471 3.591 20 10 EHCDMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])n[nH]1 ZINC000815597052 1136616886 /nfs/dbraw/zinc/61/68/86/1136616886.db2.gz LJFLUYZPNSMSDG-ONGXEEELSA-N 0 1 327.350 3.724 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000816488516 1136724276 /nfs/dbraw/zinc/72/42/76/1136724276.db2.gz WGTCYKSFXQXXSM-QGZVFWFLSA-N 0 1 339.769 3.897 20 10 EHCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1OCCc2ccccc21 ZINC000816495816 1136725290 /nfs/dbraw/zinc/72/52/90/1136725290.db2.gz KMXFOPVHIXQZEG-GOSISDBHSA-N 0 1 335.806 3.931 20 10 EHCDMN Cc1nc2sccn2c1C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816501969 1136727547 /nfs/dbraw/zinc/72/75/47/1136727547.db2.gz IQEJRIHECMJNOU-UHFFFAOYSA-N 0 1 339.823 3.834 20 10 EHCDMN COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816516025 1136729861 /nfs/dbraw/zinc/72/98/61/1136729861.db2.gz SKMREIXIBUBDLJ-UHFFFAOYSA-N 0 1 327.783 3.735 20 10 EHCDMN CN(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])Cc1ccccc1 ZINC000816530116 1136730051 /nfs/dbraw/zinc/73/00/51/1136730051.db2.gz UPOYJGVFOCAPQG-FQEVSTJZSA-N 0 1 334.463 3.808 20 10 EHCDMN [O-]c1c(C[NH2+]C2CCN(CC(F)(F)F)CC2)ccc2ccccc21 ZINC000816544441 1136731643 /nfs/dbraw/zinc/73/16/43/1136731643.db2.gz IQWCVJLYYVTEQZ-UHFFFAOYSA-N 0 1 338.373 3.662 20 10 EHCDMN O=C(CC1CCCCC1)NCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816550058 1136733284 /nfs/dbraw/zinc/73/32/84/1136733284.db2.gz HBJDIYODFMQJLY-UHFFFAOYSA-N 0 1 340.467 3.722 20 10 EHCDMN COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816565397 1136737777 /nfs/dbraw/zinc/73/77/77/1136737777.db2.gz NVSGRCCPHMOOGA-QGZVFWFLSA-N 0 1 341.451 3.957 20 10 EHCDMN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816565397 1136737779 /nfs/dbraw/zinc/73/77/79/1136737779.db2.gz NVSGRCCPHMOOGA-QGZVFWFLSA-N 0 1 341.451 3.957 20 10 EHCDMN Cc1ccccc1-c1nc(CNCc2cc(Cl)c(F)cc2O)no1 ZINC000816573206 1136738674 /nfs/dbraw/zinc/73/86/74/1136738674.db2.gz RBNJDHMZAVCAKE-UHFFFAOYSA-N 0 1 347.777 3.833 20 10 EHCDMN CCOC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816574391 1136738917 /nfs/dbraw/zinc/73/89/17/1136738917.db2.gz GCZCEWQYXRSLOT-MRXNPFEDSA-N 0 1 337.778 3.579 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000816615994 1136741931 /nfs/dbraw/zinc/74/19/31/1136741931.db2.gz LNOYLYMJVOTOOW-HZPDHXFCSA-N 0 1 325.811 3.718 20 10 EHCDMN CC1(C)CN(Cc2cccc(Cl)c2O)C[C@@](C)(C(F)(F)F)O1 ZINC000816643121 1136743666 /nfs/dbraw/zinc/74/36/66/1136743666.db2.gz VWZXAAANOASIJR-AWEZNQCLSA-N 0 1 337.769 3.977 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000817881448 1136843467 /nfs/dbraw/zinc/84/34/67/1136843467.db2.gz SWNIJULNPFVASS-WMZOPIPTSA-N 0 1 332.488 3.998 20 10 EHCDMN C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000817944132 1136849691 /nfs/dbraw/zinc/84/96/91/1136849691.db2.gz XNSPGNPKAVRYTD-BTYIYWSLSA-N 0 1 349.478 3.962 20 10 EHCDMN C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000817954922 1136851233 /nfs/dbraw/zinc/85/12/33/1136851233.db2.gz MYIRTHWMUHJKKV-ABAIWWIYSA-N 0 1 335.245 3.505 20 10 EHCDMN CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000776954506 1136901642 /nfs/dbraw/zinc/90/16/42/1136901642.db2.gz QPRYQVWSNFWQSY-CABCVRRESA-N 0 1 342.277 3.838 20 10 EHCDMN CN(C)c1cc(F)c(CNC2(c3ccccc3)CCOCC2)cc1F ZINC000858145403 1136943454 /nfs/dbraw/zinc/94/34/54/1136943454.db2.gz SSYGKIBVPKQCPD-UHFFFAOYSA-N 0 1 346.421 3.826 20 10 EHCDMN Cc1ccc(C(C)(C)[NH2+]Cc2c([O-])cccc2Br)cn1 ZINC000858155977 1136944807 /nfs/dbraw/zinc/94/48/07/1136944807.db2.gz CTOWFBBGCBNTBK-UHFFFAOYSA-N 0 1 335.245 3.883 20 10 EHCDMN Oc1cccc(Br)c1CN[C@@H]1COCc2ccccc21 ZINC000858179559 1136946811 /nfs/dbraw/zinc/94/68/11/1136946811.db2.gz OBALPTXWOCMRAE-OAHLLOKOSA-N 0 1 334.213 3.516 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1[O-] ZINC000821333077 1137022784 /nfs/dbraw/zinc/02/27/84/1137022784.db2.gz XXLLNFFUTJVJPQ-CQSZACIVSA-N 0 1 328.387 3.509 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1[O-] ZINC000821333077 1137022786 /nfs/dbraw/zinc/02/27/86/1137022786.db2.gz XXLLNFFUTJVJPQ-CQSZACIVSA-N 0 1 328.387 3.509 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530247 1137062539 /nfs/dbraw/zinc/06/25/39/1137062539.db2.gz VLHOVVPLCKIJJR-QGZVFWFLSA-N 0 1 339.838 3.966 20 10 EHCDMN C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000861729066 1137119216 /nfs/dbraw/zinc/11/92/16/1137119216.db2.gz SIXYWZXEQAUTHM-LURJTMIESA-N 0 1 330.133 3.904 20 10 EHCDMN COc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000013994902 1137133899 /nfs/dbraw/zinc/13/38/99/1137133899.db2.gz SLWMRTZWJWLXPI-LJQANCHMSA-N 0 1 327.424 3.582 20 10 EHCDMN Oc1cccc(Br)c1CN1CCC[C@@H]1c1cccnc1 ZINC000862366259 1137140685 /nfs/dbraw/zinc/14/06/85/1137140685.db2.gz GMJSPWSGDWRNKO-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000862366259 1137140686 /nfs/dbraw/zinc/14/06/86/1137140686.db2.gz GMJSPWSGDWRNKO-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000862366259 1137140688 /nfs/dbraw/zinc/14/06/88/1137140688.db2.gz GMJSPWSGDWRNKO-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000862387180 1137141798 /nfs/dbraw/zinc/14/17/98/1137141798.db2.gz IIPDMWOKNPVLME-HNNXBMFYSA-N 0 1 342.302 3.874 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000862387180 1137141799 /nfs/dbraw/zinc/14/17/99/1137141799.db2.gz IIPDMWOKNPVLME-HNNXBMFYSA-N 0 1 342.302 3.874 20 10 EHCDMN CCCN(Cc1cc(C(F)(F)F)nn1C)Cc1ccccc1O ZINC000824650500 1137146179 /nfs/dbraw/zinc/14/61/79/1137146179.db2.gz RGSQMCNNGSLLQE-UHFFFAOYSA-N 0 1 327.350 3.557 20 10 EHCDMN CCCN(Cc1c(C(F)(F)F)cnn1C)Cc1ccccc1O ZINC000824650042 1137146257 /nfs/dbraw/zinc/14/62/57/1137146257.db2.gz LQAPDKFCPDTHLX-UHFFFAOYSA-N 0 1 327.350 3.557 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000824621240 1137146832 /nfs/dbraw/zinc/14/68/32/1137146832.db2.gz KMBWKCCRUVGGKH-UHFFFAOYSA-N 0 1 347.256 3.929 20 10 EHCDMN CCOc1cccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000825045615 1137163070 /nfs/dbraw/zinc/16/30/70/1137163070.db2.gz IBKGDAOWXMSDSC-ZDUSSCGKSA-N 0 1 337.341 3.985 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000825125095 1137166337 /nfs/dbraw/zinc/16/63/37/1137166337.db2.gz GPQQRLRODGZELC-UHFFFAOYSA-N 0 1 345.874 3.503 20 10 EHCDMN CCCNC(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825120378 1137166478 /nfs/dbraw/zinc/16/64/78/1137166478.db2.gz JLTYAYFMLWJCGO-UHFFFAOYSA-N 0 1 346.858 3.784 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)cc1Cl ZINC000825155411 1137168301 /nfs/dbraw/zinc/16/83/01/1137168301.db2.gz DDNVTJHCWAOKRO-UHFFFAOYSA-N 0 1 344.842 3.536 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1Cl ZINC000825283331 1137171504 /nfs/dbraw/zinc/17/15/04/1137171504.db2.gz JIJNAXYZYDOZJC-KRWDZBQOSA-N 0 1 341.785 3.630 20 10 EHCDMN C[C@H](CCc1cccn1C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825286538 1137171581 /nfs/dbraw/zinc/17/15/81/1137171581.db2.gz FFPMXAKZWSNECX-GFCCVEGCSA-N 0 1 337.261 3.604 20 10 EHCDMN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825327701 1137172995 /nfs/dbraw/zinc/17/29/95/1137172995.db2.gz ZMGPANCPZGRKSR-LKBUQDJMSA-N 0 1 329.893 3.523 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCC[C@H]1CCCCO1 ZINC000825515145 1137180647 /nfs/dbraw/zinc/18/06/47/1137180647.db2.gz XVXRGRIJLNHKSK-CQSZACIVSA-N 0 1 328.250 3.594 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000825484433 1137181207 /nfs/dbraw/zinc/18/12/07/1137181207.db2.gz LQKMDGJHCCOQEE-AWEZNQCLSA-N 0 1 347.256 3.614 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000825484433 1137181209 /nfs/dbraw/zinc/18/12/09/1137181209.db2.gz LQKMDGJHCCOQEE-AWEZNQCLSA-N 0 1 347.256 3.614 20 10 EHCDMN CCCc1nc(C)c(CN(C)CCN(C)c2ccc(OC)cc2)o1 ZINC000844401469 1137217280 /nfs/dbraw/zinc/21/72/80/1137217280.db2.gz MDBXNBRSUSLTJF-UHFFFAOYSA-N 0 1 331.460 3.512 20 10 EHCDMN COc1cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000794653253 1137223834 /nfs/dbraw/zinc/22/38/34/1137223834.db2.gz LKEOOJVHTFQAQS-UGSOOPFHSA-N 0 1 333.472 3.698 20 10 EHCDMN Oc1cc(F)c(Br)cc1CN1CCC[C@H]1C(F)(F)F ZINC001144299031 1137268527 /nfs/dbraw/zinc/26/85/27/1137268527.db2.gz PEVZXTZVOMLXBO-NSHDSACASA-N 0 1 342.130 3.821 20 10 EHCDMN Cc1c2nc[nH]c2ccc1NCc1cc(Br)ccc1O ZINC001171177889 1137288094 /nfs/dbraw/zinc/28/80/94/1137288094.db2.gz MAHZGTBTXAWGHM-UHFFFAOYSA-N 0 1 332.201 3.952 20 10 EHCDMN CCn1nc(CN[C@H](C)c2cc(OC)ccc2O)c2ccccc21 ZINC000845971421 1137322456 /nfs/dbraw/zinc/32/24/56/1137322456.db2.gz JZWBFKIDZIEPND-CYBMUJFWSA-N 0 1 325.412 3.621 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@]2(CO)CCc3ccccc32)ccc2ccccc21 ZINC000846009444 1137325202 /nfs/dbraw/zinc/32/52/02/1137325202.db2.gz ZOQWTRKVWUSSEO-QFIPXVFZSA-N 0 1 333.431 3.512 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cc(Br)ccc1[O-] ZINC000846205832 1137339190 /nfs/dbraw/zinc/33/91/90/1137339190.db2.gz RNBHFFIVELUXCS-WDEREUQCSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc2ccccc2c1[O-] ZINC000846216495 1137341911 /nfs/dbraw/zinc/34/19/11/1137341911.db2.gz RYVMLGOGBFQFLN-KUHUBIRLSA-N 0 1 348.446 3.972 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc2ccccc2c1[O-] ZINC000866425889 1137353840 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C[C@H](NCc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1O ZINC000877758415 1137688574 /nfs/dbraw/zinc/68/85/74/1137688574.db2.gz ZITXPDTVDIDNGO-AWEZNQCLSA-N 0 1 334.423 3.701 20 10 EHCDMN C[C@@H](NCc1cc(F)cc(F)c1O)c1nc(C2CCCCC2)no1 ZINC000883025710 1137841896 /nfs/dbraw/zinc/84/18/96/1137841896.db2.gz VFPNNDHKLXMJRC-SNVBAGLBSA-N 0 1 337.370 3.952 20 10 EHCDMN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(F)c1OC ZINC000886069753 1138037784 /nfs/dbraw/zinc/03/77/84/1138037784.db2.gz KKRCZJYSVHQIMS-ZDUSSCGKSA-N 0 1 332.419 3.760 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1)c1cc(Cl)ccc1[O-] ZINC000886764530 1138135358 /nfs/dbraw/zinc/13/53/58/1138135358.db2.gz VMFBHKSXBPLNSU-WIRVQXDCSA-N 0 1 339.863 3.813 20 10 EHCDMN Cn1c2ccccc2nc1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000124389036 1138285795 /nfs/dbraw/zinc/28/57/95/1138285795.db2.gz KKHFPEZLJLWDLX-UHFFFAOYSA-N 0 1 329.831 3.655 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000263692382 1138343981 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CC1(C)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000789763468 1134328539 /nfs/dbraw/zinc/32/85/39/1134328539.db2.gz LHDLDBIHPFFXEL-UHFFFAOYSA-N 0 1 330.837 3.671 20 10 EHCDMN CCOCc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000790995674 1134490322 /nfs/dbraw/zinc/49/03/22/1134490322.db2.gz AFAMKJQNSZOMEI-UHFFFAOYSA-N 0 1 344.411 3.738 20 10 EHCDMN CCN(C)[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000775406667 1134741467 /nfs/dbraw/zinc/74/14/67/1134741467.db2.gz ZIDNCGUNWLJYTQ-JXFKEZNVSA-N 0 1 339.483 3.623 20 10 EHCDMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(C)c(O)cc1C ZINC001191695369 1134908759 /nfs/dbraw/zinc/90/87/59/1134908759.db2.gz RLFBKTUCPRWINZ-UHFFFAOYSA-N 0 1 349.452 3.942 20 10 EHCDMN CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cc(Cl)ccc1[O-] ZINC000775502363 1134973418 /nfs/dbraw/zinc/97/34/18/1134973418.db2.gz QWMQYLZFGJTEEQ-QGZVFWFLSA-N 0 1 342.830 3.867 20 10 EHCDMN CN(C(=O)c1cc(O)c(O)c(Cl)c1)[C@@H](C1CCC1)C(F)(F)F ZINC001193612173 1135158907 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C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000808443820 1135668037 /nfs/dbraw/zinc/66/80/37/1135668037.db2.gz HMJDMJNKZANOIS-MGPLVRAMSA-N 0 1 334.213 3.767 20 10 EHCDMN Cc1cc(Cl)cc([C@@H](C)NCc2nccn2CC(F)(F)F)c1O ZINC000808690451 1135711367 /nfs/dbraw/zinc/71/13/67/1135711367.db2.gz KXXCNSHQHAPSTF-SNVBAGLBSA-N 0 1 347.768 3.964 20 10 EHCDMN C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000809701549 1135869592 /nfs/dbraw/zinc/86/95/92/1135869592.db2.gz GQXBJRNIRRIQAW-SWLSCSKDSA-N 0 1 342.277 3.670 20 10 EHCDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000809701549 1135869594 /nfs/dbraw/zinc/86/95/94/1135869594.db2.gz GQXBJRNIRRIQAW-SWLSCSKDSA-N 0 1 342.277 3.670 20 10 EHCDMN CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000809713537 1135876274 /nfs/dbraw/zinc/87/62/74/1135876274.db2.gz SLLMLNQPCFQAPM-BLLLJJGKSA-N 0 1 342.277 3.696 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1scnc1C1CC1 ZINC000809712428 1135876323 /nfs/dbraw/zinc/87/63/23/1135876323.db2.gz MSLQBVNDVJTRET-UHFFFAOYSA-N 0 1 339.258 3.778 20 10 EHCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CCSCC1 ZINC000809713063 1135876381 /nfs/dbraw/zinc/87/63/81/1135876381.db2.gz HIBGWDKBRMIUHE-SNVBAGLBSA-N 0 1 330.291 3.776 20 10 EHCDMN CN(CCC[N@@H+](C)Cc1c([O-])ccc(Cl)c1F)Cc1ccco1 ZINC000809717803 1135877313 /nfs/dbraw/zinc/87/73/13/1135877313.db2.gz BCFSQUTXCDRFIA-UHFFFAOYSA-N 0 1 340.826 3.732 20 10 EHCDMN CCOC(=O)c1cc(NCc2cc(Cl)cc(Cl)c2O)cn1C ZINC000809755185 1135887310 /nfs/dbraw/zinc/88/73/10/1135887310.db2.gz HOOINYSMAMDVQV-UHFFFAOYSA-N 0 1 343.210 3.826 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223313 1135940567 /nfs/dbraw/zinc/94/05/67/1135940567.db2.gz KVWVACFFKMIJMR-JSGCOSHPSA-N 0 1 339.361 3.732 20 10 EHCDMN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236960 1135946496 /nfs/dbraw/zinc/94/64/96/1135946496.db2.gz ORGYGWFPPIFZQZ-IJEWVQPXSA-N 0 1 347.377 3.646 20 10 EHCDMN OC1CCN(c2ccc(CNCc3ccc(Cl)cc3F)cc2)CC1 ZINC000850406643 1136251395 /nfs/dbraw/zinc/25/13/95/1136251395.db2.gz OGLDBWACUPFCMB-UHFFFAOYSA-N 0 1 348.849 3.730 20 10 EHCDMN COc1ccc(N2CC[C@@H](N[C@@H](C)c3nc(C)sc3C)C2)cc1 ZINC000850487760 1136269163 /nfs/dbraw/zinc/26/91/63/1136269163.db2.gz JGCHURIBVOCOOI-SWLSCSKDSA-N 0 1 331.485 3.698 20 10 EHCDMN CNC(=O)CC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCCCC1 ZINC000850554873 1136284855 /nfs/dbraw/zinc/28/48/55/1136284855.db2.gz GYJKNXAFGWJMKN-UKRRQHHQSA-N 0 1 348.462 3.756 20 10 EHCDMN CCc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000850566753 1136287397 /nfs/dbraw/zinc/28/73/97/1136287397.db2.gz RZUZHCXZGACRKT-HNNXBMFYSA-N 0 1 328.456 3.654 20 10 EHCDMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109772882 1136340199 /nfs/dbraw/zinc/34/01/99/1136340199.db2.gz YCSAPTWTXFVVRC-CYBMUJFWSA-N 0 1 332.831 3.813 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCCCC(=O)C1 ZINC000813682883 1136356318 /nfs/dbraw/zinc/35/63/18/1136356318.db2.gz MIRLEMBDBMJZNE-SNVBAGLBSA-N 0 1 344.238 3.855 20 10 EHCDMN CC(=O)c1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682826 1136356403 /nfs/dbraw/zinc/35/64/03/1136356403.db2.gz LFWZDBKIXQLFHW-UHFFFAOYSA-N 0 1 338.190 3.832 20 10 EHCDMN CC[N@H+](CCC1CCOCC1)Cc1cc(Br)ccc1[O-] ZINC000814624513 1136481638 /nfs/dbraw/zinc/48/16/38/1136481638.db2.gz BHCHWZNUACYMRR-UHFFFAOYSA-N 0 1 342.277 3.793 20 10 EHCDMN CC[N@@H+](CCC1CCOCC1)Cc1cc(Br)ccc1[O-] ZINC000814624513 1136481639 /nfs/dbraw/zinc/48/16/39/1136481639.db2.gz BHCHWZNUACYMRR-UHFFFAOYSA-N 0 1 342.277 3.793 20 10 EHCDMN Oc1cc2c(cc1CN1CC3(CCCC3)[C@H]1c1ccco1)[C@H](O)CO2 ZINC000853538699 1136542184 /nfs/dbraw/zinc/54/21/84/1136542184.db2.gz JFGGTWAPCGCYHQ-VQIMIIECSA-N 0 1 341.407 3.528 20 10 EHCDMN CCc1noc(C)c1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000815146877 1136562419 /nfs/dbraw/zinc/56/24/19/1136562419.db2.gz VGHMCDJQBRNCJE-UHFFFAOYSA-N 0 1 341.377 3.920 20 10 EHCDMN COCC1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000112331477 1136625874 /nfs/dbraw/zinc/62/58/74/1136625874.db2.gz KBAZSEAYWRPMQP-UHFFFAOYSA-N 0 1 329.440 3.876 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000816594482 1136735464 /nfs/dbraw/zinc/73/54/64/1136735464.db2.gz FKEJHCBUDJBDJW-HNNXBMFYSA-N 0 1 348.849 3.796 20 10 EHCDMN [O-]c1c(C[NH2+]CCOc2ccc(Cl)cn2)ccc2ccccc21 ZINC000816556296 1136736216 /nfs/dbraw/zinc/73/62/16/1136736216.db2.gz FLKBKDUXRKDNPN-UHFFFAOYSA-N 0 1 328.799 3.762 20 10 EHCDMN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816574477 1136738658 /nfs/dbraw/zinc/73/86/58/1136738658.db2.gz JGJRTIORWVAPKY-JOCHJYFZSA-N 0 1 344.414 3.641 20 10 EHCDMN O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000816574477 1136738662 /nfs/dbraw/zinc/73/86/62/1136738662.db2.gz JGJRTIORWVAPKY-JOCHJYFZSA-N 0 1 344.414 3.641 20 10 EHCDMN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000816574477 1136738666 /nfs/dbraw/zinc/73/86/66/1136738666.db2.gz JGJRTIORWVAPKY-JOCHJYFZSA-N 0 1 344.414 3.641 20 10 EHCDMN COCC[N@@H+](Cc1scnc1C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816593989 1136739496 /nfs/dbraw/zinc/73/94/96/1136739496.db2.gz LTMOGQYVJSZLIP-UHFFFAOYSA-N 0 1 344.839 3.598 20 10 EHCDMN C[N@@H+]1CCN(Cc2cccc(Br)c2[O-])c2ccccc2C1 ZINC000816618338 1136742589 /nfs/dbraw/zinc/74/25/89/1136742589.db2.gz VDFCQEDDCUJDJC-UHFFFAOYSA-N 0 1 347.256 3.607 20 10 EHCDMN C[N@H+]1CCN(Cc2cccc(Br)c2[O-])c2ccccc2C1 ZINC000816618338 1136742591 /nfs/dbraw/zinc/74/25/91/1136742591.db2.gz VDFCQEDDCUJDJC-UHFFFAOYSA-N 0 1 347.256 3.607 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000817411254 1136805666 /nfs/dbraw/zinc/80/56/66/1136805666.db2.gz QIDGZRPZQAGRNZ-LBPRGKRZSA-N 0 1 342.302 3.778 20 10 EHCDMN COC(OC)c1ccc(F)c(CNCc2ccc(N(C)C)cc2C)c1 ZINC000818187805 1136864148 /nfs/dbraw/zinc/86/41/48/1136864148.db2.gz CSNIGQLSYDNWKV-UHFFFAOYSA-N 0 1 346.446 3.781 20 10 EHCDMN COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)cc1 ZINC000818341820 1136872422 /nfs/dbraw/zinc/87/24/22/1136872422.db2.gz HFFYXAALOIJZKI-GJZGRUSLSA-N 0 1 344.430 3.717 20 10 EHCDMN CCOCc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858095178 1136939304 /nfs/dbraw/zinc/93/93/04/1136939304.db2.gz MHLVZNGINNLMFJ-UHFFFAOYSA-N 0 1 334.410 3.857 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000858136918 1136942755 /nfs/dbraw/zinc/94/27/55/1136942755.db2.gz YTWSVYNPAHEGRD-KRWDZBQOSA-N 0 1 348.240 3.558 20 10 EHCDMN CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000858506204 1136974427 /nfs/dbraw/zinc/97/44/27/1136974427.db2.gz SHVHXZFKNWZWCH-XJKSGUPXSA-N 0 1 325.408 3.848 20 10 EHCDMN Cc1ccncc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824909857 1137156167 /nfs/dbraw/zinc/15/61/67/1137156167.db2.gz QCIVQHJRDHFYEO-UHFFFAOYSA-N 0 1 340.427 3.578 20 10 EHCDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H]1n1cccn1 ZINC000825117537 1137166237 /nfs/dbraw/zinc/16/62/37/1137166237.db2.gz GQFGVRLCYCZJTF-DJIMGWMZSA-N 0 1 349.862 3.529 20 10 EHCDMN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825327718 1137173199 /nfs/dbraw/zinc/17/31/99/1137173199.db2.gz ZMGPANCPZGRKSR-QTCYRWPVSA-N 0 1 329.893 3.523 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)cc1Cl ZINC000825354095 1137174765 /nfs/dbraw/zinc/17/47/65/1137174765.db2.gz RQCHOQXIZBADDK-ZBFHGGJFSA-N 0 1 333.859 3.998 20 10 EHCDMN COC[C@@]1(C)C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000863339919 1137181487 /nfs/dbraw/zinc/18/14/87/1137181487.db2.gz GHICRSHNCCMNFH-HXUWFJFHSA-N 0 1 341.407 3.529 20 10 EHCDMN COC[C@@]1(C)C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000863339919 1137181489 /nfs/dbraw/zinc/18/14/89/1137181489.db2.gz GHICRSHNCCMNFH-HXUWFJFHSA-N 0 1 341.407 3.529 20 10 EHCDMN COc1ccc(OC(F)(F)F)cc1CN(C)Cc1ccccc1O ZINC001144004957 1137225016 /nfs/dbraw/zinc/22/50/16/1137225016.db2.gz KSZVPCSGHCGVAW-UHFFFAOYSA-N 0 1 341.329 3.931 20 10 EHCDMN COc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1Br ZINC001144234486 1137257875 /nfs/dbraw/zinc/25/78/75/1137257875.db2.gz SNEHKQDJPGGRSB-UHFFFAOYSA-N 0 1 336.229 3.795 20 10 EHCDMN Oc1cc(F)c(Br)cc1CN1CCc2sccc2C1 ZINC001144294126 1137267732 /nfs/dbraw/zinc/26/77/32/1137267732.db2.gz XXQMETKLAOEHAR-UHFFFAOYSA-N 0 1 342.233 3.914 20 10 EHCDMN COCC[C@@H]1CCCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299941 1137268851 /nfs/dbraw/zinc/26/88/51/1137268851.db2.gz MWKCHXGAZOGCTD-LBPRGKRZSA-N 0 1 346.240 3.685 20 10 EHCDMN C[C@]1(CC[NH2+]Cc2cc(Br)ccc2[O-])C[C@@]1(F)Cl ZINC000846035890 1137328412 /nfs/dbraw/zinc/32/84/12/1137328412.db2.gz LMHZPVQYPGYZSH-STQMWFEESA-N 0 1 336.632 3.949 20 10 EHCDMN COc1ccc(CC[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1O ZINC000846056801 1137331223 /nfs/dbraw/zinc/33/12/23/1137331223.db2.gz ZSKKZKMSRNHYBT-LBPRGKRZSA-N 0 1 335.831 3.871 20 10 EHCDMN C[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000846205829 1137339369 /nfs/dbraw/zinc/33/93/69/1137339369.db2.gz RNBHFFIVELUXCS-MNOVXSKESA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H](NCc1ccnc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000866473141 1137357730 /nfs/dbraw/zinc/35/77/30/1137357730.db2.gz LBFMKNFVEODCNS-ZDUSSCGKSA-N 0 1 349.837 3.562 20 10 EHCDMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866500472 1137359272 /nfs/dbraw/zinc/35/92/72/1137359272.db2.gz TYKCVGAZJBKEKK-PSOPSSQASA-N 0 1 348.796 3.778 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Br)ccc1[O-] ZINC000866631690 1137371350 /nfs/dbraw/zinc/37/13/50/1137371350.db2.gz CVFIOQAZPGGDML-ZWNOBZJWSA-N 0 1 336.233 3.537 20 10 EHCDMN NC(=O)c1ccc(F)c(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000037013459 1137477314 /nfs/dbraw/zinc/47/73/14/1137477314.db2.gz BWYFTCTXBZBOQY-UHFFFAOYSA-N 0 1 329.158 3.549 20 10 EHCDMN COCCCOCC[N@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000773270064 1137483704 /nfs/dbraw/zinc/48/37/04/1137483704.db2.gz ARDJLHOUQVUJPU-UHFFFAOYSA-N 0 1 347.455 3.502 20 10 EHCDMN COCCCOCC[N@@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000773270064 1137483705 /nfs/dbraw/zinc/48/37/05/1137483705.db2.gz ARDJLHOUQVUJPU-UHFFFAOYSA-N 0 1 347.455 3.502 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001204079822 1137528262 /nfs/dbraw/zinc/52/82/62/1137528262.db2.gz QJVMRRALHPQQOE-OAHLLOKOSA-N 0 1 340.261 3.594 20 10 EHCDMN CC(=O)C1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000872798057 1137584614 /nfs/dbraw/zinc/58/46/14/1137584614.db2.gz HIDJZJZTMKWXBP-UHFFFAOYSA-N 0 1 327.424 3.818 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000825710728 1137609698 /nfs/dbraw/zinc/60/96/98/1137609698.db2.gz ZGENHFPKJVBWTO-HNNXBMFYSA-N 0 1 348.240 3.507 20 10 EHCDMN CO[C@]1(C)CCC[N@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000825748507 1137621637 /nfs/dbraw/zinc/62/16/37/1137621637.db2.gz CZRSSJJXYCEOIA-OAHLLOKOSA-N 0 1 328.250 3.546 20 10 EHCDMN CO[C@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000825748507 1137621638 /nfs/dbraw/zinc/62/16/38/1137621638.db2.gz CZRSSJJXYCEOIA-OAHLLOKOSA-N 0 1 328.250 3.546 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1Cl ZINC000825944672 1137671829 /nfs/dbraw/zinc/67/18/29/1137671829.db2.gz ZEZYXXYXKZMYTQ-UHFFFAOYSA-N 0 1 331.847 3.639 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1Cl ZINC000825944496 1137671882 /nfs/dbraw/zinc/67/18/82/1137671882.db2.gz XALFFABRKTWIMB-VQIMIIECSA-N 0 1 331.843 3.610 20 10 EHCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000877598911 1137682524 /nfs/dbraw/zinc/68/25/24/1137682524.db2.gz MMKZHIVGPNECEL-GDBMZVCRSA-N 0 1 339.769 3.632 20 10 EHCDMN [O-]c1c(F)c(F)ccc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000877598911 1137682525 /nfs/dbraw/zinc/68/25/25/1137682525.db2.gz MMKZHIVGPNECEL-GDBMZVCRSA-N 0 1 339.769 3.632 20 10 EHCDMN CN(C)c1ccc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000877674936 1137685378 /nfs/dbraw/zinc/68/53/78/1137685378.db2.gz XMUMMNHGGVXCEF-YLJYHZDGSA-N 0 1 328.431 3.590 20 10 EHCDMN COc1cc(Cl)cc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000877673208 1137685424 /nfs/dbraw/zinc/68/54/24/1137685424.db2.gz PKXKTPVVPMJSBF-SJORKVTESA-N 0 1 347.842 3.752 20 10 EHCDMN CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113323379 1137912681 /nfs/dbraw/zinc/91/26/81/1137912681.db2.gz CAGCONCQCJNFCY-CYBMUJFWSA-N 0 1 346.858 3.864 20 10 EHCDMN Cc1coc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000885927712 1138025647 /nfs/dbraw/zinc/02/56/47/1138025647.db2.gz WDCOYYLGRNIXFV-GJZGRUSLSA-N 0 1 332.419 3.631 20 10 EHCDMN CCCN(CC(=O)Nc1ccc(F)cc1F)Cc1ccccc1O ZINC000069009941 1138087262 /nfs/dbraw/zinc/08/72/62/1138087262.db2.gz ASISHUVPPRXCDK-UHFFFAOYSA-N 0 1 334.366 3.521 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(Cl)ccc1[O-] ZINC000886764528 1138135471 /nfs/dbraw/zinc/13/54/71/1138135471.db2.gz VMFBHKSXBPLNSU-BSXOQXRQSA-N 0 1 339.863 3.813 20 10 EHCDMN COc1cc(O)c(CN(C)[C@H](C)c2cc(F)ccc2F)cc1OC ZINC000179683238 1139774862 /nfs/dbraw/zinc/77/48/62/1139774862.db2.gz LNGMQFXPGKERSS-LLVKDONJSA-N 0 1 337.366 3.881 20 10 EHCDMN CCOc1cccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000180717089 1139858858 /nfs/dbraw/zinc/85/88/58/1139858858.db2.gz RLFUFZGABIILRK-LBPRGKRZSA-N 0 1 331.387 3.983 20 10 EHCDMN COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000181671988 1139923391 /nfs/dbraw/zinc/92/33/91/1139923391.db2.gz SXAFNILDUGROOT-KRWDZBQOSA-N 0 1 333.815 3.726 20 10 EHCDMN C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000185053643 1140133620 /nfs/dbraw/zinc/13/36/20/1140133620.db2.gz NFBFQKYYIRPNLI-CQSZACIVSA-N 0 1 345.874 3.756 20 10 EHCDMN Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185348228 1140145726 /nfs/dbraw/zinc/14/57/26/1140145726.db2.gz VFTRUDJXYHEADF-ZJUUUORDSA-N 0 1 338.249 3.608 20 10 EHCDMN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000185581133 1140156581 /nfs/dbraw/zinc/15/65/81/1140156581.db2.gz QTAISVXTKXYKOA-ZDUSSCGKSA-N 0 1 325.836 3.599 20 10 EHCDMN CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185606114 1140158611 /nfs/dbraw/zinc/15/86/11/1140158611.db2.gz PDXPDFONSVMHMF-NWDGAFQWSA-N 0 1 330.266 3.604 20 10 EHCDMN COCCC1(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000186134565 1140188432 /nfs/dbraw/zinc/18/84/32/1140188432.db2.gz NUTGSRGNLGEYRM-NSHDSACASA-N 0 1 328.250 3.622 20 10 EHCDMN Cc1ccoc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000266236454 1140658573 /nfs/dbraw/zinc/65/85/73/1140658573.db2.gz VVYIYTKXYRDPPI-GJZGRUSLSA-N 0 1 332.419 3.631 20 10 EHCDMN CN(C)c1ccc(CN(Cc2cn(C)nc2C(F)F)C2CC2)cc1 ZINC000274438261 1141528499 /nfs/dbraw/zinc/52/84/99/1141528499.db2.gz AWPBMYBOYLYHLC-UHFFFAOYSA-N 0 1 334.414 3.588 20 10 EHCDMN O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000739638886 599840265 /nfs/dbraw/zinc/84/02/65/599840265.db2.gz DKVLUSITXVEPMW-CYBMUJFWSA-N 0 1 343.423 3.846 20 10 EHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000740097617 600281203 /nfs/dbraw/zinc/28/12/03/600281203.db2.gz NKFNCSWGNHOFHA-CQSZACIVSA-N 0 1 337.375 3.826 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C2CC2)cc1 ZINC000830635350 601816885 /nfs/dbraw/zinc/81/68/85/601816885.db2.gz KVBWSRMUGPTXDG-UHFFFAOYSA-N 0 1 342.414 3.755 20 10 EHCDMN CC(C)[C@H]1CCC[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728198635 1014947690 /nfs/dbraw/zinc/94/76/90/1014947690.db2.gz OUDKBYNPHDXWQQ-GOSISDBHSA-N 0 1 339.435 3.949 20 10 EHCDMN CCc1cccc(C[N@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c1O ZINC001597586837 988406093 /nfs/dbraw/zinc/40/60/93/988406093.db2.gz LUMMZOOCNBHDNS-AWEZNQCLSA-N 0 1 346.452 3.755 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](C[C@@H]2CCCC[C@H]2C(=O)[O-])C2CC2)cc1 ZINC001598317236 991301834 /nfs/dbraw/zinc/30/18/34/991301834.db2.gz BTXPLOKDULGCDM-QFBILLFUSA-N 0 1 330.472 3.608 20 10 EHCDMN C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593256817 994522163 /nfs/dbraw/zinc/52/21/63/994522163.db2.gz JNDFNPQOTARVNY-RHSMWYFYSA-N 0 1 346.471 3.538 20 10 EHCDMN C[C@@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593256817 994522171 /nfs/dbraw/zinc/52/21/71/994522171.db2.gz JNDFNPQOTARVNY-RHSMWYFYSA-N 0 1 346.471 3.538 20 10 EHCDMN O=C(NCc1cccc(Cl)c1[O-])c1cccc(C[NH+]2CCCC2)c1 ZINC000890757999 1016366366 /nfs/dbraw/zinc/36/63/66/1016366366.db2.gz PMZZNDGWPMXNTH-UHFFFAOYSA-N 0 1 344.842 3.571 20 10 EHCDMN CCC[N@H+](Cc1c([O-])cccc1Br)C1CCOCC1 ZINC001140103541 1016743235 /nfs/dbraw/zinc/74/32/35/1016743235.db2.gz OHMNJAHGTFGPNU-UHFFFAOYSA-N 0 1 328.250 3.546 20 10 EHCDMN CCC[N@@H+](Cc1c([O-])cccc1Br)C1CCOCC1 ZINC001140103541 1016743239 /nfs/dbraw/zinc/74/32/39/1016743239.db2.gz OHMNJAHGTFGPNU-UHFFFAOYSA-N 0 1 328.250 3.546 20 10 EHCDMN CCOC[C@@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000177632867 1017914029 /nfs/dbraw/zinc/91/40/29/1017914029.db2.gz ZPTUIGSKYRPHEQ-CQSZACIVSA-N 0 1 329.440 3.876 20 10 EHCDMN CCOC[C@@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000177632867 1017914048 /nfs/dbraw/zinc/91/40/48/1017914048.db2.gz ZPTUIGSKYRPHEQ-CQSZACIVSA-N 0 1 329.440 3.876 20 10 EHCDMN CN(Cc1cnn2ccccc12)Cc1ccc(N2CCCCC2)cc1 ZINC000178867383 1019324012 /nfs/dbraw/zinc/32/40/12/1019324012.db2.gz FOPPITMVQOYRLI-UHFFFAOYSA-N 0 1 334.467 3.957 20 10 EHCDMN Cc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(C)c1 ZINC000255226168 1019946482 /nfs/dbraw/zinc/94/64/82/1019946482.db2.gz CKIOPVTVEOBWBC-LFIBNONCSA-N 0 1 346.521 3.599 20 10 EHCDMN Cc1noc2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc12 ZINC001167437610 1020182206 /nfs/dbraw/zinc/18/22/06/1020182206.db2.gz VCGVJRCAMSDXEG-UHFFFAOYSA-N 0 1 336.439 3.500 20 10 EHCDMN CCC(CC)[N@H+](CCOC)Cc1c([O-])cccc1Br ZINC000707144258 1021260155 /nfs/dbraw/zinc/26/01/55/1021260155.db2.gz MUTBOJIJCJNBBD-UHFFFAOYSA-N 0 1 330.266 3.792 20 10 EHCDMN CCC(CC)[N@@H+](CCOC)Cc1c([O-])cccc1Br ZINC000707144258 1021260166 /nfs/dbraw/zinc/26/01/66/1021260166.db2.gz MUTBOJIJCJNBBD-UHFFFAOYSA-N 0 1 330.266 3.792 20 10 EHCDMN CCOc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000891466966 1021708772 /nfs/dbraw/zinc/70/87/72/1021708772.db2.gz AARLFZLHTQXWBH-INIZCTEOSA-N 0 1 331.412 3.565 20 10 EHCDMN CN(C)[C@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000896877078 1024195559 /nfs/dbraw/zinc/19/55/59/1024195559.db2.gz DNOYLOCSMJYGDY-OAHLLOKOSA-N 0 1 326.362 3.518 20 10 EHCDMN CN(Cc1ccccc1O)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000119529085 1024418711 /nfs/dbraw/zinc/41/87/11/1024418711.db2.gz SHQHUNXSXQTHJH-QGZVFWFLSA-N 0 1 344.842 3.673 20 10 EHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000896639545 1025792137 /nfs/dbraw/zinc/79/21/37/1025792137.db2.gz VXELNWKVHBKSGK-NVXWUHKLSA-N 0 1 328.431 3.532 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000093691246 1029336987 /nfs/dbraw/zinc/33/69/87/1029336987.db2.gz SFFUGHCXPZXHPI-CQSZACIVSA-N 0 1 339.222 3.747 20 10 EHCDMN COc1c([O-])c(C[N@H+]([C@H](C)c2ccco2)C2CC2)ccc1[N+](=O)[O-] ZINC000278274877 1029899701 /nfs/dbraw/zinc/89/97/01/1029899701.db2.gz SGHGBZLTVRHRBT-LLVKDONJSA-N 0 1 332.356 3.628 20 10 EHCDMN COc1c([O-])c(C[N@@H+]([C@H](C)c2ccco2)C2CC2)ccc1[N+](=O)[O-] ZINC000278274877 1029899725 /nfs/dbraw/zinc/89/97/25/1029899725.db2.gz SGHGBZLTVRHRBT-LLVKDONJSA-N 0 1 332.356 3.628 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000093842190 1030683810 /nfs/dbraw/zinc/68/38/10/1030683810.db2.gz HJQSPQSOCKHRDY-KRWDZBQOSA-N 0 1 339.863 3.596 20 10 EHCDMN CC(C)c1ncc2c(n1)CCN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000527617599 1031041188 /nfs/dbraw/zinc/04/11/88/1031041188.db2.gz ASSUPDUTUBDERB-UHFFFAOYSA-N 0 1 335.810 3.656 20 10 EHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1c(Cl)oc2ccccc12 ZINC000761200136 1034419352 /nfs/dbraw/zinc/41/93/52/1034419352.db2.gz NALHKSYHEFGEGS-GXDHUFHOSA-N 0 1 338.750 3.548 20 10 EHCDMN CCCN(Cc1ccccc1O)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000157288368 1037346999 /nfs/dbraw/zinc/34/69/99/1037346999.db2.gz ISOGPQNBLVEZLO-INIZCTEOSA-N 0 1 336.439 3.946 20 10 EHCDMN Fc1cccc(C2(NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1 ZINC000152873509 1037787862 /nfs/dbraw/zinc/78/78/62/1037787862.db2.gz RLVYXVBVVJKPIH-UHFFFAOYSA-N 0 1 344.405 3.580 20 10 EHCDMN C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1cc(Br)ccc1[O-] ZINC000756442371 1038768159 /nfs/dbraw/zinc/76/81/59/1038768159.db2.gz OWVXXBISAQBMMD-QWHCGFSZSA-N 0 1 341.293 3.680 20 10 EHCDMN CC[C@H]([NH2+]CC1(N(C)C)CCC1)c1cc(Br)ccc1[O-] ZINC000097928597 1039109038 /nfs/dbraw/zinc/10/90/38/1039109038.db2.gz KNNKPDZLVDFYCM-AWEZNQCLSA-N 0 1 341.293 3.680 20 10 EHCDMN COc1ccc(O)c(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000245608304 1040152354 /nfs/dbraw/zinc/15/23/54/1040152354.db2.gz AEZDKOPKIRHMCE-MGPUTAFESA-N 0 1 327.424 3.671 20 10 EHCDMN C[C@@H]1SCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@H]1C ZINC001180198489 1133348458 /nfs/dbraw/zinc/34/84/58/1133348458.db2.gz BPNSUVZJNSWNSZ-IUCAKERBSA-N 0 1 334.254 3.620 20 10 EHCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cn1 ZINC000279671214 1044390904 /nfs/dbraw/zinc/39/09/04/1044390904.db2.gz HTPJBCXJFHUNRY-LLVKDONJSA-N 0 1 333.229 3.630 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(Br)ccc1[O-] ZINC000850533662 1136280262 /nfs/dbraw/zinc/28/02/62/1136280262.db2.gz ATXDZKNXTCJIPJ-WZRBSPASSA-N 0 1 328.250 3.763 20 10 EHCDMN Cc1ccc([C@@H](C)NCc2nccn2CCc2ccccc2)c(O)c1 ZINC000185661680 1126970303 /nfs/dbraw/zinc/97/03/03/1126970303.db2.gz BSAQXSGYNPLKFN-QGZVFWFLSA-N 0 1 335.451 3.991 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282246976 1128129909 /nfs/dbraw/zinc/12/99/09/1128129909.db2.gz AYQPUCLXKXHYCO-OAHLLOKOSA-N 0 1 345.874 3.958 20 10 EHCDMN COc1ccc2c(c1)OCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921782280 1128757567 /nfs/dbraw/zinc/75/75/67/1128757567.db2.gz SQERRHLPULJVTJ-GOSISDBHSA-N 0 1 325.408 3.634 20 10 EHCDMN CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000916110580 1122060883 /nfs/dbraw/zinc/06/08/83/1122060883.db2.gz ADLRMRKTWASLSF-UHFFFAOYSA-N 0 1 344.219 3.596 20 10 EHCDMN COc1ccc(OC)c([C@H](C)NCc2ccc3c(c2)CCCO3)c1 ZINC000921494816 1123547052 /nfs/dbraw/zinc/54/70/52/1123547052.db2.gz OWCJZVQBJCUBFV-AWEZNQCLSA-N 0 1 327.424 3.880 20 10 EHCDMN Cn1cccc1[C@H]1CCCN1Cc1cc(Br)ccc1O ZINC000179703866 1123828024 /nfs/dbraw/zinc/82/80/24/1123828024.db2.gz JNVQXSWYFNBOID-OAHLLOKOSA-N 0 1 335.245 3.830 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000253082665 1125094791 /nfs/dbraw/zinc/09/47/91/1125094791.db2.gz XJEFHVVRCZFPPA-MJVIPROJSA-N 0 1 328.250 3.620 20 10 EHCDMN FC(F)Oc1ccc(N2CCC[C@H](NCc3nccs3)C2)cc1 ZINC000742385080 1131713712 /nfs/dbraw/zinc/71/37/12/1131713712.db2.gz RLTVFWJISQMVGV-LBPRGKRZSA-N 0 1 339.411 3.503 20 10 EHCDMN Cc1cccnc1CCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691443837 1132993059 /nfs/dbraw/zinc/99/30/59/1132993059.db2.gz JKLIWDJRNKIISO-UHFFFAOYSA-N 0 1 335.245 3.581 20 10 EHCDMN Cc1cc([C@H]2CCCN2Cc2cccc(Br)c2O)no1 ZINC000768430795 1133137926 /nfs/dbraw/zinc/13/79/26/1133137926.db2.gz SBVHXPQQFJKFSB-CQSZACIVSA-N 0 1 337.217 3.788 20 10 EHCDMN CCN(C)c1ccc(CN(C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000773754738 1133179978 /nfs/dbraw/zinc/17/99/78/1133179978.db2.gz NJEXWKYSSSLWSE-QHCPKHFHSA-N 0 1 330.497 3.512 20 10 EHCDMN Cc1ccc(O)c(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000769332160 1133264504 /nfs/dbraw/zinc/26/45/04/1133264504.db2.gz JYSCBQPZMQZKGS-SFHVURJKSA-N 0 1 349.377 3.876 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1[O-] ZINC000769488804 1133290447 /nfs/dbraw/zinc/29/04/47/1133290447.db2.gz ZPMDYQDGLDDTEC-UHFFFAOYSA-N 0 1 336.697 3.648 20 10 EHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1[O-] ZINC000769488804 1133290453 /nfs/dbraw/zinc/29/04/53/1133290453.db2.gz ZPMDYQDGLDDTEC-UHFFFAOYSA-N 0 1 336.697 3.648 20 10 EHCDMN COC(=O)CCN(Cc1cc(C)ccc1O)Cc1cccc(F)c1F ZINC000769471210 1133297257 /nfs/dbraw/zinc/29/72/57/1133297257.db2.gz QWQWBTSYGIANGS-UHFFFAOYSA-N 0 1 349.377 3.544 20 10 EHCDMN C[N@H+](CCc1cccs1)Cc1cc(Br)ccc1[O-] ZINC000769500323 1133303746 /nfs/dbraw/zinc/30/37/46/1133303746.db2.gz WHNMDOCPHKNALZ-UHFFFAOYSA-N 0 1 326.259 3.891 20 10 EHCDMN C[N@@H+](CCc1cccs1)Cc1cc(Br)ccc1[O-] ZINC000769500323 1133303748 /nfs/dbraw/zinc/30/37/48/1133303748.db2.gz WHNMDOCPHKNALZ-UHFFFAOYSA-N 0 1 326.259 3.891 20 10 EHCDMN CN(CCOC(C)(C)C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769517453 1133308481 /nfs/dbraw/zinc/30/84/81/1133308481.db2.gz VZHRAFUSSOGHLV-UHFFFAOYSA-N 0 1 349.475 3.832 20 10 EHCDMN c1cc(N2CCCCC2)ccc1CNCc1nc2c(s1)CCC2 ZINC000771817663 1133600855 /nfs/dbraw/zinc/60/08/55/1133600855.db2.gz BPPLYFUDRMJXIG-UHFFFAOYSA-N 0 1 327.497 3.912 20 10 EHCDMN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000771865804 1133603109 /nfs/dbraw/zinc/60/31/09/1133603109.db2.gz ZFZPXFMPOCQLLG-AWEZNQCLSA-N 0 1 339.391 3.819 20 10 EHCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000771865804 1133603112 /nfs/dbraw/zinc/60/31/12/1133603112.db2.gz ZFZPXFMPOCQLLG-AWEZNQCLSA-N 0 1 339.391 3.819 20 10 EHCDMN COc1cc(Cl)cc(CN2CC3(CCCC3)OC(C)(C)C2)c1O ZINC000785989676 1133789184 /nfs/dbraw/zinc/78/91/84/1133789184.db2.gz XFUSBTXZFFEENS-UHFFFAOYSA-N 0 1 339.863 3.978 20 10 EHCDMN CC[C@H](C[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccccc1 ZINC000774698529 1133879942 /nfs/dbraw/zinc/87/99/42/1133879942.db2.gz CIUQMRIOBZAJGP-QRWLVFNGSA-N 0 1 341.451 3.834 20 10 EHCDMN CC[C@H](C[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccccc1 ZINC000774698529 1133879944 /nfs/dbraw/zinc/87/99/44/1133879944.db2.gz CIUQMRIOBZAJGP-QRWLVFNGSA-N 0 1 341.451 3.834 20 10 EHCDMN CCOC(=O)[C@@](C)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000787437611 1134003900 /nfs/dbraw/zinc/00/39/00/1134003900.db2.gz YENLNVDFLZAYBP-IBGZPJMESA-N 0 1 347.842 3.656 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774833856 1134035408 /nfs/dbraw/zinc/03/54/08/1134035408.db2.gz PUNCBJXSWUDKFL-OAHLLOKOSA-N 0 1 346.358 3.785 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774833856 1134035416 /nfs/dbraw/zinc/03/54/16/1134035416.db2.gz PUNCBJXSWUDKFL-OAHLLOKOSA-N 0 1 346.358 3.785 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774911158 1134118385 /nfs/dbraw/zinc/11/83/85/1134118385.db2.gz VYUHFZJALAXBIG-WBMJQRKESA-N 0 1 328.368 3.502 20 10 EHCDMN COc1c([O-])c(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774911158 1134118392 /nfs/dbraw/zinc/11/83/92/1134118392.db2.gz VYUHFZJALAXBIG-WBMJQRKESA-N 0 1 328.368 3.502 20 10 EHCDMN COc1ccc2nc(CNCc3ccc(N(C)C)c(F)c3)sc2c1 ZINC000788968397 1134197091 /nfs/dbraw/zinc/19/70/91/1134197091.db2.gz ROOYHMCFCUOVOC-UHFFFAOYSA-N 0 1 345.443 3.800 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001203650995 1134278388 /nfs/dbraw/zinc/27/83/88/1134278388.db2.gz HOQYWUPODKIREH-UHFFFAOYSA-N 0 1 332.831 3.732 20 10 EHCDMN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cccc(C)c1O ZINC000789776503 1134337194 /nfs/dbraw/zinc/33/71/94/1134337194.db2.gz QUSTVRHDKKISFX-ROUUACIJSA-N 0 1 325.408 3.579 20 10 EHCDMN CCN(c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1)C(C)C ZINC000789954167 1134351527 /nfs/dbraw/zinc/35/15/27/1134351527.db2.gz DZMMWMNWOQGNBR-UHFFFAOYSA-N 0 1 332.375 3.724 20 10 EHCDMN COc1c([O-])c(C[N@H+](C)Cc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000775153680 1134399371 /nfs/dbraw/zinc/39/93/71/1134399371.db2.gz UNFBZUVQYMAJTL-UHFFFAOYSA-N 0 1 330.384 3.558 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)Cc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000775153680 1134399379 /nfs/dbraw/zinc/39/93/79/1134399379.db2.gz UNFBZUVQYMAJTL-UHFFFAOYSA-N 0 1 330.384 3.558 20 10 EHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(C(F)F)c1 ZINC000790411727 1134412983 /nfs/dbraw/zinc/41/29/83/1134412983.db2.gz OXSABWNGDRIPGJ-UHFFFAOYSA-N 0 1 343.351 3.529 20 10 EHCDMN Fc1cc(-c2nc(-c3ccn4cncc4c3)no2)ccc1-n1cccc1 ZINC000790512258 1134429021 /nfs/dbraw/zinc/42/90/21/1134429021.db2.gz ILLQZTMPYMBPAZ-UHFFFAOYSA-N 0 1 345.337 3.981 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000790619831 1134447200 /nfs/dbraw/zinc/44/72/00/1134447200.db2.gz TZNMLHHCHAHCCC-UHFFFAOYSA-N 0 1 336.222 3.908 20 10 EHCDMN CC(C)[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C(C)(C)O ZINC000790703107 1134455258 /nfs/dbraw/zinc/45/52/58/1134455258.db2.gz YMAGGQFPLVCZAG-YGRLFVJLSA-N 0 1 330.266 3.601 20 10 EHCDMN COc1ccccc1OCC[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792167669 1134661685 /nfs/dbraw/zinc/66/16/85/1134661685.db2.gz XPSKPDMMHHUNQV-UHFFFAOYSA-N 0 1 339.794 3.704 20 10 EHCDMN CN(C)c1ccc(CN[C@H](CO)c2ccsc2)c(C(F)(F)F)c1 ZINC000793085883 1134848652 /nfs/dbraw/zinc/84/86/52/1134848652.db2.gz QCKOTEVYVOZTII-OAHLLOKOSA-N 0 1 344.402 3.656 20 10 EHCDMN CO[C@@]1(C)CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000793218625 1134875256 /nfs/dbraw/zinc/87/52/56/1134875256.db2.gz TXUWHMRHFIUTSU-IBGZPJMESA-N 0 1 347.459 3.586 20 10 EHCDMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC001191697783 1134909189 /nfs/dbraw/zinc/90/91/89/1134909189.db2.gz SGXIWPWQQNROOS-UHFFFAOYSA-N 0 1 335.425 3.633 20 10 EHCDMN Cc1ccc(C[N@@H+](CCO)Cc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000793364652 1134911711 /nfs/dbraw/zinc/91/17/11/1134911711.db2.gz FMPKQCMGECVLCP-UHFFFAOYSA-N 0 1 330.211 3.595 20 10 EHCDMN COc1ccc(CNCc2c(Cl)cccc2OC(F)F)c(O)c1 ZINC000793387255 1134920751 /nfs/dbraw/zinc/92/07/51/1134920751.db2.gz BGPMLPAHIZWBHP-UHFFFAOYSA-N 0 1 343.757 3.945 20 10 EHCDMN COc1ccc(CNCc2c(F)cccc2Br)c(O)c1 ZINC000793390326 1134923299 /nfs/dbraw/zinc/92/32/99/1134923299.db2.gz ORURFOGSDGECGS-UHFFFAOYSA-N 0 1 340.192 3.592 20 10 EHCDMN CC[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000775485160 1134926431 /nfs/dbraw/zinc/92/64/31/1134926431.db2.gz OFIBYYHJHDKJQR-HOCLYGCPSA-N 0 1 327.852 3.672 20 10 EHCDMN CC[C@@H](NCc1nncn1-c1ccccc1)c1cc(Cl)ccc1O ZINC000775492068 1134943144 /nfs/dbraw/zinc/94/31/44/1134943144.db2.gz LLWZNCXYJCVSSH-MRXNPFEDSA-N 0 1 342.830 3.867 20 10 EHCDMN CC[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Cl)ccc1[O-] ZINC000775493395 1134954040 /nfs/dbraw/zinc/95/40/40/1134954040.db2.gz ZRXZTGIWIRLMED-INIZCTEOSA-N 0 1 342.830 3.867 20 10 EHCDMN Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC2(CCC2)CO1 ZINC001192012771 1134956234 /nfs/dbraw/zinc/95/62/34/1134956234.db2.gz JYYZYMCCVOLHDP-RTBURBONSA-N 0 1 345.483 3.723 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000775511396 1134982216 /nfs/dbraw/zinc/98/22/16/1134982216.db2.gz AIQVKPYSLTXTAC-CZUORRHYSA-N 0 1 349.837 3.899 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775512659 1134982827 /nfs/dbraw/zinc/98/28/27/1134982827.db2.gz ADZPAFALXMJURD-DLBZAZTESA-N 0 1 344.842 3.892 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000775522352 1135001590 /nfs/dbraw/zinc/00/15/90/1135001590.db2.gz NFAMMOLEDMYKOS-ZBFHGGJFSA-N 0 1 339.863 3.815 20 10 EHCDMN C[C@H](NCc1nc2cccc(Cl)c2n1C)c1cc(F)ccc1O ZINC000775558475 1135086400 /nfs/dbraw/zinc/08/64/00/1135086400.db2.gz MSPRGGYSMFSPIB-JTQLQIEISA-N 0 1 333.794 3.922 20 10 EHCDMN COc1ccccc1CC(C)(C)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193633640 1135162561 /nfs/dbraw/zinc/16/25/61/1135162561.db2.gz CMFPSDOFCSWBRD-UHFFFAOYSA-N 0 1 349.814 3.511 20 10 EHCDMN C[C@H](Cc1ccco1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804907570 1135212733 /nfs/dbraw/zinc/21/27/33/1135212733.db2.gz AGHBVCLESBFBGO-SECBINFHSA-N 0 1 343.210 3.722 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000775655846 1135427336 /nfs/dbraw/zinc/42/73/36/1135427336.db2.gz LQGBFLMITFCOGJ-UHFFFAOYSA-N 0 1 339.826 3.790 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000775655846 1135427340 /nfs/dbraw/zinc/42/73/40/1135427340.db2.gz LQGBFLMITFCOGJ-UHFFFAOYSA-N 0 1 339.826 3.790 20 10 EHCDMN C[C@@H]1CCC[C@H](OCC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807840021 1135575922 /nfs/dbraw/zinc/57/59/22/1135575922.db2.gz PTGOXGAQGJYJEU-MFKMUULPSA-N 0 1 346.254 3.911 20 10 EHCDMN O=C(CCCc1ccccn1)NCc1cc(Cl)cc(Cl)c1O ZINC000807841345 1135576395 /nfs/dbraw/zinc/57/63/95/1135576395.db2.gz YAZJYOKXANJZMA-UHFFFAOYSA-N 0 1 339.222 3.733 20 10 EHCDMN Cc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)s1 ZINC000807836706 1135580843 /nfs/dbraw/zinc/58/08/43/1135580843.db2.gz LAPJZXWSIFIPCZ-UHFFFAOYSA-N 0 1 331.224 3.702 20 10 EHCDMN CSc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1 ZINC000807839306 1135581369 /nfs/dbraw/zinc/58/13/69/1135581369.db2.gz KUEYPIIRSYRGFM-UHFFFAOYSA-N 0 1 343.235 3.746 20 10 EHCDMN Cc1ccc(/C=C\S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808113732 1135618631 /nfs/dbraw/zinc/61/86/31/1135618631.db2.gz HVJWRXLVBGZZDB-SREVYHEPSA-N 0 1 341.791 3.906 20 10 EHCDMN O=S(=O)(/C=C/c1ccc(F)cc1)Nc1cc(Cl)c(O)cc1F ZINC000808114476 1135618794 /nfs/dbraw/zinc/61/87/94/1135618794.db2.gz ZXKOAAIGGOHTNZ-AATRIKPKSA-N 0 1 345.754 3.736 20 10 EHCDMN [O-]c1c(Cl)cccc1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000775750828 1135635216 /nfs/dbraw/zinc/63/52/16/1135635216.db2.gz WFQRCVUFDMXPKH-UHFFFAOYSA-N 0 1 346.858 3.614 20 10 EHCDMN CC1=C(Br)CN(Cc2c(O)ccc3ccncc32)CC1 ZINC000797420174 1135713831 /nfs/dbraw/zinc/71/38/31/1135713831.db2.gz YGXRLUPSFZZPKY-UHFFFAOYSA-N 0 1 333.229 3.815 20 10 EHCDMN C[C@H](NCc1cc(F)cc2c1OCOC2)c1ccc(N(C)C)cc1 ZINC000775834018 1135799125 /nfs/dbraw/zinc/79/91/25/1135799125.db2.gz JBBQTKURNNOHFK-ZDUSSCGKSA-N 0 1 330.403 3.609 20 10 EHCDMN CCN(CC)c1ccc(CNCc2ccc(Br)cn2)cc1 ZINC000776023519 1135927329 /nfs/dbraw/zinc/92/73/29/1135927329.db2.gz OCCSTFLLGMEIMH-UHFFFAOYSA-N 0 1 348.288 3.980 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](C)COCCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227087 1135940728 /nfs/dbraw/zinc/94/07/28/1135940728.db2.gz QVMRRBFKSWQDNU-SMDDNHRTSA-N 0 1 335.366 3.503 20 10 EHCDMN CC[C@@H]([NH2+][C@H](C)COCCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227084 1135941036 /nfs/dbraw/zinc/94/10/36/1135941036.db2.gz QVMRRBFKSWQDNU-BXUZGUMPSA-N 0 1 335.366 3.503 20 10 EHCDMN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236963 1135946253 /nfs/dbraw/zinc/94/62/53/1135946253.db2.gz ORGYGWFPPIFZQZ-SQWLQELKSA-N 0 1 347.377 3.646 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001201379497 1136014008 /nfs/dbraw/zinc/01/40/08/1136014008.db2.gz FSXNMCKIRMWVJF-IYOUNJFTSA-N 0 1 344.252 3.830 20 10 EHCDMN Cc1cc(N(C)C)ccc1CNCc1cn2cc(Cl)ccc2n1 ZINC000776173950 1136020979 /nfs/dbraw/zinc/02/09/79/1136020979.db2.gz FBLSZRZBJBHGJQ-UHFFFAOYSA-N 0 1 328.847 3.652 20 10 EHCDMN C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H]1CCCOC1 ZINC000107670997 1136175214 /nfs/dbraw/zinc/17/52/14/1136175214.db2.gz VBRHXDRZPNPYKG-CQSZACIVSA-N 0 1 329.440 3.876 20 10 EHCDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H]1CCCOC1 ZINC000107670997 1136175215 /nfs/dbraw/zinc/17/52/15/1136175215.db2.gz VBRHXDRZPNPYKG-CQSZACIVSA-N 0 1 329.440 3.876 20 10 EHCDMN COc1ccc(N2CC[C@H](NCc3coc(-c4ccccc4)n3)C2)cc1 ZINC000850346242 1136238186 /nfs/dbraw/zinc/23/81/86/1136238186.db2.gz CXYHHTSMPIYFMY-KRWDZBQOSA-N 0 1 349.434 3.719 20 10 EHCDMN CCN(CC)c1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1F ZINC000850370843 1136242950 /nfs/dbraw/zinc/24/29/50/1136242950.db2.gz FZZZTSHGEYAXTD-QUCCMNQESA-N 0 1 328.431 3.940 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000850481019 1136267123 /nfs/dbraw/zinc/26/71/23/1136267123.db2.gz GQMWXROBSHPESS-WCQYABFASA-N 0 1 341.293 3.678 20 10 EHCDMN Cc1ccc(/C=C\C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000813682390 1136356109 /nfs/dbraw/zinc/35/61/09/1136356109.db2.gz CTHLLJZGJKBPDS-PLNGDYQASA-N 0 1 337.206 3.732 20 10 EHCDMN CC(C)(C)C[C@@H](O)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682450 1136356197 /nfs/dbraw/zinc/35/61/97/1136356197.db2.gz DTCADSBDJGYZII-NSHDSACASA-N 0 1 334.243 3.502 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000110252678 1136414650 /nfs/dbraw/zinc/41/46/50/1136414650.db2.gz HAVWWDVZVHSWQA-INIZCTEOSA-N 0 1 332.241 3.802 20 10 EHCDMN CN(C)c1ccc(CNCc2cnccc2C(F)(F)F)cc1F ZINC000853094817 1136508183 /nfs/dbraw/zinc/50/81/83/1136508183.db2.gz AIYWYWGKWZTKMJ-UHFFFAOYSA-N 0 1 327.325 3.595 20 10 EHCDMN Cc1cc(CN(Cc2ccco2)C[C@@H]2CCCO2)ccc1N(C)C ZINC000815023176 1136538681 /nfs/dbraw/zinc/53/86/81/1136538681.db2.gz LUTBWOCXFNOZEI-IBGZPJMESA-N 0 1 328.456 3.835 20 10 EHCDMN COC1(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])CCC1 ZINC000815642215 1136625151 /nfs/dbraw/zinc/62/51/51/1136625151.db2.gz VWWDLQNUKSPVKL-LLVKDONJSA-N 0 1 328.250 3.765 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3C3CCOCC3)c2c1 ZINC000776772182 1136659315 /nfs/dbraw/zinc/65/93/15/1136659315.db2.gz MNRRBDDIXPVEIC-FQEVSTJZSA-N 0 1 341.451 3.945 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3C3CCOCC3)c2c1 ZINC000776772182 1136659317 /nfs/dbraw/zinc/65/93/17/1136659317.db2.gz MNRRBDDIXPVEIC-FQEVSTJZSA-N 0 1 341.451 3.945 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN1CCN(Cc2ccsc2)CC1 ZINC000816482686 1136723536 /nfs/dbraw/zinc/72/35/36/1136723536.db2.gz OZLZEVNKALSLJU-UHFFFAOYSA-N 0 1 340.851 3.564 20 10 EHCDMN C[C@H](N1CCN(Cc2ccc3ccccc3c2O)CC1)C(F)(F)F ZINC000816520131 1136727379 /nfs/dbraw/zinc/72/73/79/1136727379.db2.gz GZZWYQOODNZXDJ-ZDUSSCGKSA-N 0 1 338.373 3.614 20 10 EHCDMN O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816546913 1136732215 /nfs/dbraw/zinc/73/22/15/1136732215.db2.gz BNIJEBYAFSENIF-UHFFFAOYSA-N 0 1 338.363 3.622 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816668378 1136745039 /nfs/dbraw/zinc/74/50/39/1136745039.db2.gz MVTHEKNJYLSNCF-UHFFFAOYSA-N 0 1 343.789 3.886 20 10 EHCDMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000816661999 1136746614 /nfs/dbraw/zinc/74/66/14/1136746614.db2.gz DZLIZESHAFPZHY-MRXNPFEDSA-N 0 1 332.271 3.930 20 10 EHCDMN C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817950835 1136850357 /nfs/dbraw/zinc/85/03/57/1136850357.db2.gz ZWYLMXIGDRYSBN-MWLCHTKSSA-N 0 1 347.684 3.601 20 10 EHCDMN COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc([O-])c3Cl)C2)cc1 ZINC000818219917 1136867424 /nfs/dbraw/zinc/86/74/24/1136867424.db2.gz FCAGAFIKJFCVEM-CQSZACIVSA-N 0 1 346.858 3.670 20 10 EHCDMN CN(C)c1cc(F)c(CNCc2ccc(OC(F)F)cc2)cc1F ZINC000858087798 1136938255 /nfs/dbraw/zinc/93/82/55/1136938255.db2.gz KYRIEFDUNQTWTE-UHFFFAOYSA-N 0 1 342.336 3.922 20 10 EHCDMN CCOc1cc(CNCc2ccc(N(C)C)cc2C)c(F)cc1OC ZINC000858139747 1136943042 /nfs/dbraw/zinc/94/30/42/1136943042.db2.gz XYKNMTVOIUJHPM-UHFFFAOYSA-N 0 1 346.446 3.897 20 10 EHCDMN Cc1ccc(C(C)(C)C[NH2+]Cc2c([O-])cccc2Br)nc1 ZINC000858241759 1136951467 /nfs/dbraw/zinc/95/14/67/1136951467.db2.gz CZIJJDOIPPAEMP-UHFFFAOYSA-N 0 1 349.272 3.926 20 10 EHCDMN CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000858495918 1136973382 /nfs/dbraw/zinc/97/33/82/1136973382.db2.gz KUJGWIJWGFUWIW-GFCCVEGCSA-N 0 1 332.831 3.879 20 10 EHCDMN CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000858498432 1136974074 /nfs/dbraw/zinc/97/40/74/1136974074.db2.gz OTUSVEHDDPICSU-LBPRGKRZSA-N 0 1 332.831 3.879 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000862247863 1137134831 /nfs/dbraw/zinc/13/48/31/1137134831.db2.gz CVPLNCBRUNZJLA-INIZCTEOSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000862247863 1137134832 /nfs/dbraw/zinc/13/48/32/1137134832.db2.gz CVPLNCBRUNZJLA-INIZCTEOSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000862293574 1137137530 /nfs/dbraw/zinc/13/75/30/1137137530.db2.gz YJIPMSPBDPLQFU-OAHLLOKOSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000862293574 1137137531 /nfs/dbraw/zinc/13/75/31/1137137531.db2.gz YJIPMSPBDPLQFU-OAHLLOKOSA-N 0 1 340.261 3.546 20 10 EHCDMN CC[C@@H](N[C@H]1CCn2ccnc21)c1ccc(C(F)(F)F)cc1O ZINC000824533913 1137141784 /nfs/dbraw/zinc/14/17/84/1137141784.db2.gz SGWSDWOZWHDKAL-OLZOCXBDSA-N 0 1 325.334 3.793 20 10 EHCDMN CC[C@H](N[C@H]1CCn2ccnc21)c1ccc(C(F)(F)F)cc1O ZINC000824533915 1137141844 /nfs/dbraw/zinc/14/18/44/1137141844.db2.gz SGWSDWOZWHDKAL-STQMWFEESA-N 0 1 325.334 3.793 20 10 EHCDMN C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000824501195 1137142082 /nfs/dbraw/zinc/14/20/82/1137142082.db2.gz FUCMYHZXJDYEDY-GFCCVEGCSA-N 0 1 342.867 3.829 20 10 EHCDMN CC(C)(C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1)C(N)=O ZINC000824608238 1137144878 /nfs/dbraw/zinc/14/48/78/1137144878.db2.gz DOMKLPFECQLAKZ-HNNXBMFYSA-N 0 1 340.467 3.659 20 10 EHCDMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)C(N)=O ZINC000824608238 1137144879 /nfs/dbraw/zinc/14/48/79/1137144879.db2.gz DOMKLPFECQLAKZ-HNNXBMFYSA-N 0 1 340.467 3.659 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1Cl ZINC000825072322 1137164630 /nfs/dbraw/zinc/16/46/30/1137164630.db2.gz YRDNIRZOBPBRRN-GFCCVEGCSA-N 0 1 333.815 3.976 20 10 EHCDMN COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825277524 1137172682 /nfs/dbraw/zinc/17/26/82/1137172682.db2.gz BLKTVMVFQIZEPR-HNNXBMFYSA-N 0 1 333.815 3.976 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000825341478 1137173681 /nfs/dbraw/zinc/17/36/81/1137173681.db2.gz KSTBMYUIRJVRMZ-AWEZNQCLSA-N 0 1 340.261 3.736 20 10 EHCDMN Oc1cccc2c1CN(Cc1ccc(OC(F)(F)F)cc1F)CC2 ZINC001143791374 1137200072 /nfs/dbraw/zinc/20/00/72/1137200072.db2.gz MEICMSUEILKQBH-UHFFFAOYSA-N 0 1 341.304 3.988 20 10 EHCDMN Cc1ccc(-c2ccnn2C)cc1NCc1ccc(F)c(F)c1O ZINC000864035535 1137212714 /nfs/dbraw/zinc/21/27/14/1137212714.db2.gz BXMBKLQXYBHWRT-UHFFFAOYSA-N 0 1 329.350 3.991 20 10 EHCDMN Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000845927189 1137320977 /nfs/dbraw/zinc/32/09/77/1137320977.db2.gz UZGJFBASIFLEBG-UHFFFAOYSA-N 0 1 330.859 3.775 20 10 EHCDMN COc1cccc([C@@H](C)NCc2c(F)cccc2OC(F)F)c1O ZINC000846154223 1137336733 /nfs/dbraw/zinc/33/67/33/1137336733.db2.gz LRSOIVOZCAUPGO-SNVBAGLBSA-N 0 1 341.329 3.992 20 10 EHCDMN COc1cccc([C@@H](C)N[C@H](C)c2nccn2-c2ccccc2)c1O ZINC000846173221 1137338244 /nfs/dbraw/zinc/33/82/44/1137338244.db2.gz PRVREMJPQKCEAK-HUUCEWRRSA-N 0 1 337.423 3.998 20 10 EHCDMN C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000846178359 1137339877 /nfs/dbraw/zinc/33/98/77/1137339877.db2.gz IFJDVIVJVLONOO-BFUOFWGJSA-N 0 1 331.843 3.573 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Cl)ccc1[O-] ZINC000846215564 1137341839 /nfs/dbraw/zinc/34/18/39/1137341839.db2.gz LMTQDCHXNIHONC-HOTGVXAUSA-N 0 1 346.858 3.863 20 10 EHCDMN Oc1cc2c(cc1O)CN(Cc1ccc3scnc3c1)CCC2 ZINC001144743719 1137343514 /nfs/dbraw/zinc/34/35/14/1137343514.db2.gz WTZMQUTWBJNQTK-UHFFFAOYSA-N 0 1 326.421 3.656 20 10 EHCDMN Cc1cc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846272908 1137344702 /nfs/dbraw/zinc/34/47/02/1137344702.db2.gz PUZQOFFJJOHDPQ-FQEVSTJZSA-N 0 1 330.472 3.672 20 10 EHCDMN C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])CC1(C)OCCO1 ZINC000866425886 1137353856 /nfs/dbraw/zinc/35/38/56/1137353856.db2.gz PURNJQSFVKXPQM-CABCVRRESA-N 0 1 329.440 3.985 20 10 EHCDMN CC[C@@H](N[C@@H](CO)c1ccccc1OC)c1ccc(N(C)C)cc1 ZINC000773010754 1137458708 /nfs/dbraw/zinc/45/87/08/1137458708.db2.gz RXUSUBAXRBNIMG-MOPGFXCFSA-N 0 1 328.456 3.536 20 10 EHCDMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(N2CCOCC2)cc1Cl ZINC000773120532 1137466810 /nfs/dbraw/zinc/46/68/10/1137466810.db2.gz PKVKPOGSWVZZGZ-KGLIPLIRSA-N 0 1 333.863 3.917 20 10 EHCDMN COc1ccc(CN[C@H](C)c2cnc(C)s2)cc1Cn1cccn1 ZINC000873150742 1137591448 /nfs/dbraw/zinc/59/14/48/1137591448.db2.gz PFOYCJIKGSAUJC-CYBMUJFWSA-N 0 1 342.468 3.556 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000825773712 1137630760 /nfs/dbraw/zinc/63/07/60/1137630760.db2.gz NUPMZVIJXOEVKG-HNNXBMFYSA-N 0 1 340.261 3.594 20 10 EHCDMN C[C@@H]1COCCN1c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000876866385 1137664193 /nfs/dbraw/zinc/66/41/93/1137664193.db2.gz SKOXJGKQQPRJSZ-GFCCVEGCSA-N 0 1 334.366 3.508 20 10 EHCDMN CCN(CC)CC(=O)Nc1cccc(NCc2c(C)cccc2O)c1 ZINC000877532084 1137680024 /nfs/dbraw/zinc/68/00/24/1137680024.db2.gz DVYOWMGLKFRCQU-UHFFFAOYSA-N 0 1 341.455 3.593 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877819438 1137691476 /nfs/dbraw/zinc/69/14/76/1137691476.db2.gz DCODGDBGUXWYME-LLVKDONJSA-N 0 1 344.160 3.852 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877819438 1137691477 /nfs/dbraw/zinc/69/14/77/1137691477.db2.gz DCODGDBGUXWYME-LLVKDONJSA-N 0 1 344.160 3.852 20 10 EHCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000877825545 1137692349 /nfs/dbraw/zinc/69/23/49/1137692349.db2.gz VOGPXUWUXDPWDB-HNNXBMFYSA-N 0 1 346.814 3.503 20 10 EHCDMN Cc1nccnc1[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000877828664 1137692548 /nfs/dbraw/zinc/69/25/48/1137692548.db2.gz NQBAOOMCEHXBSR-GFCCVEGCSA-N 0 1 338.377 3.721 20 10 EHCDMN Cc1cccc(Cl)c1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000878242179 1137708405 /nfs/dbraw/zinc/70/84/05/1137708405.db2.gz NXOXLSSLCXOLBL-CYBMUJFWSA-N 0 1 332.831 3.813 20 10 EHCDMN C[C@@]1(C[NH2+]Cc2ccc(Br)cc2[O-])CC1(Cl)Cl ZINC000826053887 1137721477 /nfs/dbraw/zinc/72/14/77/1137721477.db2.gz OMITYNKIXHZCBK-NSHDSACASA-N 0 1 339.060 3.828 20 10 EHCDMN CCCN(CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1O ZINC000130728187 1137841424 /nfs/dbraw/zinc/84/14/24/1137841424.db2.gz LQWFXBXKQGDAJW-UHFFFAOYSA-N 0 1 334.366 3.521 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc2ccccc2c1[O-] ZINC000883276461 1137851958 /nfs/dbraw/zinc/85/19/58/1137851958.db2.gz LHEHWCRVGQCCLQ-HOCLYGCPSA-N 0 1 325.408 3.640 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2c3ccccc3NC2(C)C)c1[O-] ZINC000883462036 1137861046 /nfs/dbraw/zinc/86/10/46/1137861046.db2.gz IRYQVBAXSFTZPD-SFHVURJKSA-N 0 1 328.387 3.769 20 10 EHCDMN Oc1c(Br)cccc1CN1CCOc2ccccc2C1 ZINC000134096410 1137939962 /nfs/dbraw/zinc/93/99/62/1137939962.db2.gz CFEQVGOKFIDHHR-UHFFFAOYSA-N 0 1 334.213 3.549 20 10 EHCDMN CN(C)c1ccc(CNCc2c(F)cccc2N2CCCC2)cc1 ZINC000078422269 1138149279 /nfs/dbraw/zinc/14/92/79/1138149279.db2.gz UPSMCTLXLCNBMC-UHFFFAOYSA-N 0 1 327.447 3.782 20 10 EHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1nc2ccccc2n1C ZINC000091312989 1138218491 /nfs/dbraw/zinc/21/84/91/1138218491.db2.gz QBJOGDWOMVGLKX-CYBMUJFWSA-N 0 1 326.419 3.629 20 10 EHCDMN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000091832809 1138222089 /nfs/dbraw/zinc/22/20/89/1138222089.db2.gz KANPBUXJGFLNPZ-JTQLQIEISA-N 0 1 342.226 3.770 20 10 EHCDMN COc1ccc([C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C2CC2)cc1 ZINC000175568202 1139501246 /nfs/dbraw/zinc/50/12/46/1139501246.db2.gz COQDWKNELFIDIZ-IBGZPJMESA-N 0 1 343.398 3.983 20 10 EHCDMN CCOc1cccc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000180282885 1139824642 /nfs/dbraw/zinc/82/46/42/1139824642.db2.gz KNDBHLHLTNCRRC-SHACYNPGSA-N 0 1 347.480 3.721 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000182347175 1139966661 /nfs/dbraw/zinc/96/66/61/1139966661.db2.gz WLBQJBFRYUAWNU-SNVBAGLBSA-N 0 1 336.775 3.813 20 10 EHCDMN CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(Cl)c1[O-] ZINC000183373578 1140033629 /nfs/dbraw/zinc/03/36/29/1140033629.db2.gz UWWFHCUVPCXJQC-UHFFFAOYSA-N 0 1 348.830 3.515 20 10 EHCDMN C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Cl)ccc1[O-] ZINC000184973139 1140128291 /nfs/dbraw/zinc/12/82/91/1140128291.db2.gz SBUSUIRLZKVMSI-CYBMUJFWSA-N 0 1 331.847 3.892 20 10 EHCDMN C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc2ccccc2c1[O-] ZINC000185052433 1140133905 /nfs/dbraw/zinc/13/39/05/1140133905.db2.gz IXRRJYGZLAMQBM-CQSZACIVSA-N 0 1 327.424 3.882 20 10 EHCDMN Cc1noc(C)c1CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185395602 1140148643 /nfs/dbraw/zinc/14/86/43/1140148643.db2.gz FWEGRALXJLPORH-VIFPVBQESA-N 0 1 339.233 3.653 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Br)ccc1[O-] ZINC000186249099 1140194078 /nfs/dbraw/zinc/19/40/78/1140194078.db2.gz ZWLUBMIEUGIRRC-LNSITVRQSA-N 0 1 342.277 3.747 20 10 EHCDMN CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1nc(C2CC2)no1 ZINC000187783074 1140271320 /nfs/dbraw/zinc/27/13/20/1140271320.db2.gz JPQOHIDZKDHBAQ-LKFCYVNXSA-N 0 1 337.370 3.979 20 10 EHCDMN C[C@H](C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1)C(=O)[O-] ZINC000833516186 605750795 /nfs/dbraw/zinc/75/07/95/605750795.db2.gz HFLOYYZWANUYSW-CQSZACIVSA-N 0 1 325.408 3.744 20 10 EHCDMN CC[N@H+](CCc1ccncc1)Cc1cc(Br)ccc1[O-] ZINC000076118574 1125476549 /nfs/dbraw/zinc/47/65/49/1125476549.db2.gz ZMLCUTUPTVLNOI-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN CC[N@@H+](CCc1ccncc1)Cc1cc(Br)ccc1[O-] ZINC000076118574 1125476551 /nfs/dbraw/zinc/47/65/51/1125476551.db2.gz ZMLCUTUPTVLNOI-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)ccc1N(C)C ZINC000849345754 979497872 /nfs/dbraw/zinc/49/78/72/979497872.db2.gz KFBABQBKRWEQBY-JENIJYKNSA-N 0 1 330.472 3.526 20 10 EHCDMN CCc1cccc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1O ZINC001597587472 988412842 /nfs/dbraw/zinc/41/28/42/988412842.db2.gz YGNYOFBDTKFNGT-UHFFFAOYSA-N 0 1 349.377 3.710 20 10 EHCDMN CC(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227121388 1033715337 /nfs/dbraw/zinc/71/53/37/1033715337.db2.gz SMFQLFJQVZVDLF-CQSZACIVSA-N 0 1 342.867 3.685 20 10 EHCDMN CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000393432300 1016669010 /nfs/dbraw/zinc/66/90/10/1016669010.db2.gz JFPRCOBKACXJDL-OCCSQVGLSA-N 0 1 344.293 3.993 20 10 EHCDMN COc1cc(CN2CCO[C@@H](c3ccccc3C)C2)c(O)cc1C ZINC000160291059 1017199706 /nfs/dbraw/zinc/19/97/06/1017199706.db2.gz IPZLXVOJUBGQNC-HXUWFJFHSA-N 0 1 327.424 3.591 20 10 EHCDMN COc1ccc(CN[C@H](C)c2nc3ccccc3s2)c(O)c1OC ZINC000892980510 1018041325 /nfs/dbraw/zinc/04/13/25/1018041325.db2.gz MLTLYQCLRRIJSN-LLVKDONJSA-N 0 1 344.436 3.870 20 10 EHCDMN COc1cc(O)c(CNC2(c3ccc(F)cc3F)CCC2)cc1OC ZINC000160517519 1019455128 /nfs/dbraw/zinc/45/51/28/1019455128.db2.gz SINMFYKURMRYIY-UHFFFAOYSA-N 0 1 349.377 3.857 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1[O-] ZINC000780370167 1020317614 /nfs/dbraw/zinc/31/76/14/1020317614.db2.gz MMOJGTSPGJDMAI-HNNXBMFYSA-N 0 1 343.398 3.635 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1[O-] ZINC000780370167 1020317626 /nfs/dbraw/zinc/31/76/26/1020317626.db2.gz MMOJGTSPGJDMAI-HNNXBMFYSA-N 0 1 343.398 3.635 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CC[C@H](COc3ccccc3)C2)c1O ZINC000780370167 1020317638 /nfs/dbraw/zinc/31/76/38/1020317638.db2.gz MMOJGTSPGJDMAI-HNNXBMFYSA-N 0 1 343.398 3.635 20 10 EHCDMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC000069752578 1020799306 /nfs/dbraw/zinc/79/93/06/1020799306.db2.gz KDXJQOQBXIMFOX-HNAYVOBHSA-N 0 1 326.440 3.529 20 10 EHCDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CC2(CC(F)C2)C1 ZINC000894976030 1022324892 /nfs/dbraw/zinc/32/48/92/1022324892.db2.gz HNJDHHQBWDKZMH-UHFFFAOYSA-N 0 1 334.616 3.742 20 10 EHCDMN Cc1nc([C@@H](C)NCc2ccc3c(c2)CCN3Cc2ccccc2)n[nH]1 ZINC000894774882 1022872957 /nfs/dbraw/zinc/87/29/57/1022872957.db2.gz YXFYFGHBTWHABD-OAHLLOKOSA-N 0 1 347.466 3.527 20 10 EHCDMN CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cc(Br)ccc1[O-] ZINC000156658167 1022958702 /nfs/dbraw/zinc/95/87/02/1022958702.db2.gz XLCNIIPEAAYYEO-BXUZGUMPSA-N 0 1 344.293 3.993 20 10 EHCDMN CN(C)c1ccc(CNCc2sccc2Br)cc1 ZINC000105467855 1024947156 /nfs/dbraw/zinc/94/71/56/1024947156.db2.gz JWYFXESBFZNERU-UHFFFAOYSA-N 0 1 325.275 3.866 20 10 EHCDMN CCCCN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435607956 1025031665 /nfs/dbraw/zinc/03/16/65/1025031665.db2.gz PVXJLAOVTGSEQL-UHFFFAOYSA-N 0 1 341.499 3.666 20 10 EHCDMN CC(C)CCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435661672 1025054791 /nfs/dbraw/zinc/05/47/91/1025054791.db2.gz HCRHGTZSEIAXNB-UHFFFAOYSA-N 0 1 341.499 3.570 20 10 EHCDMN CC(C)c1ncc(CN(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000121294769 1026613850 /nfs/dbraw/zinc/61/38/50/1026613850.db2.gz JVNRNQWFWXQAKY-UHFFFAOYSA-N 0 1 345.512 3.735 20 10 EHCDMN CN(c1ccc(CNc2ccncc2C(N)=O)cc1)C1CCCCC1 ZINC000302241551 1027107981 /nfs/dbraw/zinc/10/79/81/1027107981.db2.gz XYBWXZPNGVLKER-UHFFFAOYSA-N 0 1 338.455 3.562 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000273352951 1027389772 /nfs/dbraw/zinc/38/97/72/1027389772.db2.gz CBKIDSNDULXXSB-GRYCIOLGSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000273586977 1027509005 /nfs/dbraw/zinc/50/90/05/1027509005.db2.gz OAUJDMFVCCWZJO-BHYGNILZSA-N 0 1 340.467 3.843 20 10 EHCDMN C[C@H]([NH2+]CC1(CCO)CCCC1)c1cc(Br)ccc1[O-] ZINC000273622774 1027521966 /nfs/dbraw/zinc/52/19/66/1027521966.db2.gz ZPDPEMPOJNGEQH-LBPRGKRZSA-N 0 1 342.277 3.748 20 10 EHCDMN CC[C@H](N[C@H](C)c1cc(F)ccc1O)c1nnc2n1CCCCC2 ZINC000273619962 1027523481 /nfs/dbraw/zinc/52/34/81/1027523481.db2.gz YSPPNABKPGGWKK-DOMZBBRYSA-N 0 1 332.423 3.651 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136705120 1028267753 /nfs/dbraw/zinc/26/77/53/1028267753.db2.gz PXJQGZWVKBJBDW-CQSZACIVSA-N 0 1 340.261 3.736 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1cc(Br)ccc1[O-] ZINC000040774025 1031191336 /nfs/dbraw/zinc/19/13/36/1031191336.db2.gz GXILRERSUQOBQN-TZMCWYRMSA-N 0 1 330.266 3.602 20 10 EHCDMN CC[N@H+](CCc1cccnc1)Cc1cc(Br)ccc1[O-] ZINC000173992712 1033647833 /nfs/dbraw/zinc/64/78/33/1033647833.db2.gz WURGLCRCARLEOL-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN CC[N@@H+](CCc1cccnc1)Cc1cc(Br)ccc1[O-] ZINC000173992712 1033647839 /nfs/dbraw/zinc/64/78/39/1033647839.db2.gz WURGLCRCARLEOL-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN CC[C@H]1CCC[N@H+](Cc2ccc(I)cc2[O-])C1 ZINC001232979649 1035613490 /nfs/dbraw/zinc/61/34/90/1035613490.db2.gz HYXINNSGWFXJHE-NSHDSACASA-N 0 1 345.224 3.619 20 10 EHCDMN CC[C@H]1CCC[N@@H+](Cc2ccc(I)cc2[O-])C1 ZINC001232979649 1035613507 /nfs/dbraw/zinc/61/35/07/1035613507.db2.gz HYXINNSGWFXJHE-NSHDSACASA-N 0 1 345.224 3.619 20 10 EHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1nc(-c2ccccc2)no1 ZINC000123366363 1040823074 /nfs/dbraw/zinc/82/30/74/1040823074.db2.gz XGWGEHOMYCCJCG-LBPRGKRZSA-N 0 1 343.814 3.989 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123713462 1040930328 /nfs/dbraw/zinc/93/03/28/1040930328.db2.gz BPFAMPGZEQBYHC-PWSUYJOCSA-N 0 1 344.160 3.587 20 10 EHCDMN CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000760651805 1041054059 /nfs/dbraw/zinc/05/40/59/1041054059.db2.gz DYORWUHUWPAPIC-SNVBAGLBSA-N 0 1 326.156 3.975 20 10 EHCDMN COc1cc(C)cc(CN(C)Cc2ccc(Br)o2)c1O ZINC000164209296 1041220269 /nfs/dbraw/zinc/22/02/69/1041220269.db2.gz VJWSRUXLDJDCHU-UHFFFAOYSA-N 0 1 340.217 3.697 20 10 EHCDMN Cc1cc(Nc2cc(Br)cc(Cl)c2[O-])cc(C)[nH+]1 ZINC001176060385 1132837823 /nfs/dbraw/zinc/83/78/23/1132837823.db2.gz XGFQIQBRBFOLIN-UHFFFAOYSA-N 0 1 327.609 3.985 20 10 EHCDMN CC[N@H+](CCc1nccs1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000159228725 1042758980 /nfs/dbraw/zinc/75/89/80/1042758980.db2.gz ODQKVHRILAIWIC-UHFFFAOYSA-N 0 1 338.860 3.769 20 10 EHCDMN CC[N@@H+](CCc1nccs1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000159228725 1042758987 /nfs/dbraw/zinc/75/89/87/1042758987.db2.gz ODQKVHRILAIWIC-UHFFFAOYSA-N 0 1 338.860 3.769 20 10 EHCDMN COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000184948561 1126721940 /nfs/dbraw/zinc/72/19/40/1126721940.db2.gz ZGONKCRVYPZNGJ-JLTOFOAXSA-N 0 1 337.419 3.938 20 10 EHCDMN [O-]c1c(Br)cccc1CNc1cc[nH+]c2ccccc12 ZINC000764934236 1127555468 /nfs/dbraw/zinc/55/54/68/1127555468.db2.gz KLQMGFFJKXFDFR-UHFFFAOYSA-N 0 1 329.197 3.737 20 10 EHCDMN CCCOc1ccc(CN[C@H](C)C(=O)NCc2ccccc2)cc1C ZINC001648927523 1120224951 /nfs/dbraw/zinc/22/49/51/1120224951.db2.gz YKYPRJNEOGZCJS-QGZVFWFLSA-N 0 1 340.467 3.578 20 10 EHCDMN Cc1ccc(CNCc2ccc3c(c2)CCCO3)c(N2CCCC2)n1 ZINC000921981104 1128999140 /nfs/dbraw/zinc/99/91/40/1128999140.db2.gz XEVRHFZZWZIXCI-UHFFFAOYSA-N 0 1 337.467 3.605 20 10 EHCDMN COc1cccc2c1O[C@H](c1cc(Cl)cc(Cl)c1O)NC2=O ZINC000916232248 1122098794 /nfs/dbraw/zinc/09/87/94/1122098794.db2.gz JHDNZHREWXPSQP-OAHLLOKOSA-N 0 1 340.162 3.529 20 10 EHCDMN CN(C)c1ccc(CN(CC(=O)N(C)C2CCCCC2)C2CC2)cc1 ZINC000917074147 1122470832 /nfs/dbraw/zinc/47/08/32/1122470832.db2.gz QXXQKVJOIITGPP-UHFFFAOYSA-N 0 1 343.515 3.508 20 10 EHCDMN CC(C)N(CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccc(N(C)C)cc1 ZINC000917074933 1122472496 /nfs/dbraw/zinc/47/24/96/1122472496.db2.gz MATLWZBMGSTIBP-XLIONFOSSA-N 0 1 345.531 3.658 20 10 EHCDMN Fc1cc(CN[C@@H]2CSc3ccccc32)ccc1N1CCOCC1 ZINC000735509328 1131351731 /nfs/dbraw/zinc/35/17/31/1131351731.db2.gz XGUCKWMTCTYSPK-QGZVFWFLSA-N 0 1 344.455 3.599 20 10 EHCDMN Fc1cccc(-n2cccn2)c1CNCc1ccc2c(c1)CCCO2 ZINC000922167342 1129275242 /nfs/dbraw/zinc/27/52/42/1129275242.db2.gz RCDSLIKASFOXQW-UHFFFAOYSA-N 0 1 337.398 3.626 20 10 EHCDMN CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000731842825 1130851220 /nfs/dbraw/zinc/85/12/20/1130851220.db2.gz 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ZINC000740857578 1131549669 /nfs/dbraw/zinc/54/96/69/1131549669.db2.gz DLUJCCCDMRTYBR-UHFFFAOYSA-N 0 1 345.439 3.579 20 10 EHCDMN CCN(CC)c1ccc(CN(C)CC(=O)N(C(C)C)C(C)C)cc1 ZINC000741678028 1131634721 /nfs/dbraw/zinc/63/47/21/1131634721.db2.gz HVTOJZNUXCFBIN-UHFFFAOYSA-N 0 1 333.520 3.610 20 10 EHCDMN C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000742160488 1131694932 /nfs/dbraw/zinc/69/49/32/1131694932.db2.gz CYPDTHZVSLYZJW-QKKBWIMNSA-N 0 1 341.426 3.982 20 10 EHCDMN C[C@@H](C(=O)NC1CCCC1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741711656 1133008070 /nfs/dbraw/zinc/00/80/70/1133008070.db2.gz MMXJYNURDPNXFZ-KRWDZBQOSA-N 0 1 343.515 3.556 20 10 EHCDMN Cc1nc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])nc2ccccc12 ZINC001177608440 1133086041 /nfs/dbraw/zinc/08/60/41/1133086041.db2.gz XHDCPHOHNDBTJF-UHFFFAOYSA-N 0 1 331.778 3.726 20 10 EHCDMN CCOc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000768102109 1133094896 /nfs/dbraw/zinc/09/48/96/1133094896.db2.gz OCWXDOPCRDSKRK-ZDUSSCGKSA-N 0 1 342.395 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CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212011 1135944020 /nfs/dbraw/zinc/94/40/20/1135944020.db2.gz KPIRJPZGLFSOSC-RISCZKNCSA-N 0 1 346.393 3.757 20 10 EHCDMN CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212010 1135944258 /nfs/dbraw/zinc/94/42/58/1135944258.db2.gz KPIRJPZGLFSOSC-FZMZJTMJSA-N 0 1 346.393 3.757 20 10 EHCDMN CC1(C)CN(Cc2cc(Br)ccc2O)[C@H]1[C@H]1CCCO1 ZINC000811511093 1136102482 /nfs/dbraw/zinc/10/24/82/1136102482.db2.gz UWKWDVPXJOTGJY-CABCVRRESA-N 0 1 340.261 3.544 20 10 EHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000811801255 1136138371 /nfs/dbraw/zinc/13/83/71/1136138371.db2.gz HGHJSQSFIYSFHO-HNNXBMFYSA-N 0 1 349.862 3.692 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000812741083 1136240474 /nfs/dbraw/zinc/24/04/74/1136240474.db2.gz QEYQGOUNPSYBML-WCQYABFASA-N 0 1 348.805 3.641 20 10 EHCDMN OC1CCN(c2ccc(CNCc3ccsc3Cl)cc2)CC1 ZINC000850406353 1136251077 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O=C(/C=C\c1cccc(O)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000813682969 1136356002 /nfs/dbraw/zinc/35/60/02/1136356002.db2.gz OLWUGFBZARKFKB-PLNGDYQASA-N 0 1 338.190 3.734 20 10 EHCDMN c1cn2c(n1)[C@H](NCc1ccc3c(c1)CCO3)CCc1ccccc1-2 ZINC000853093423 1136508141 /nfs/dbraw/zinc/50/81/41/1136508141.db2.gz DPVCJYMYTZHMNH-GOSISDBHSA-N 0 1 331.419 3.584 20 10 EHCDMN Oc1ccccc1CN(Cc1cc(F)ccc1F)C[C@H]1CCCO1 ZINC000111232910 1136524687 /nfs/dbraw/zinc/52/46/87/1136524687.db2.gz FOMBAZYDYTUGCQ-QGZVFWFLSA-N 0 1 333.378 3.852 20 10 EHCDMN Oc1cc2c(cc1CN1CC3(CCCC3)[C@H]1c1ccco1)OCO2 ZINC000853538649 1136542537 /nfs/dbraw/zinc/54/25/37/1136542537.db2.gz IJVLOSNINCWJBI-GOSISDBHSA-N 0 1 327.380 3.831 20 10 EHCDMN Cc1nc2sccn2c1CN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000815073108 1136547375 /nfs/dbraw/zinc/54/73/75/1136547375.db2.gz FYGZDGKQOYBKDF-UHFFFAOYSA-N 0 1 328.485 3.711 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)CCCOc2ccccc2)c1[O-] ZINC000748051445 1136686878 /nfs/dbraw/zinc/68/68/78/1136686878.db2.gz XLOUHHKUYUDNQG-UHFFFAOYSA-N 0 1 331.387 3.635 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CCCOc2ccccc2)c1[O-] ZINC000748051445 1136686881 /nfs/dbraw/zinc/68/68/81/1136686881.db2.gz XLOUHHKUYUDNQG-UHFFFAOYSA-N 0 1 331.387 3.635 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000816495364 1136724838 /nfs/dbraw/zinc/72/48/38/1136724838.db2.gz UWNSRLTVWOCSKJ-UHFFFAOYSA-N 0 1 334.822 3.897 20 10 EHCDMN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816574478 1136738614 /nfs/dbraw/zinc/73/86/14/1136738614.db2.gz JGJRTIORWVAPKY-QFIPXVFZSA-N 0 1 344.414 3.641 20 10 EHCDMN O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000816574478 1136738615 /nfs/dbraw/zinc/73/86/15/1136738615.db2.gz JGJRTIORWVAPKY-QFIPXVFZSA-N 0 1 344.414 3.641 20 10 EHCDMN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000816574478 1136738619 /nfs/dbraw/zinc/73/86/19/1136738619.db2.gz JGJRTIORWVAPKY-QFIPXVFZSA-N 0 1 344.414 3.641 20 10 EHCDMN Cc1cc(Br)cc(CNc2cc3c(cn2)CCC3)c1O ZINC000816660877 1136745910 /nfs/dbraw/zinc/74/59/10/1136745910.db2.gz SIJOUNGIMGRFTJ-UHFFFAOYSA-N 0 1 333.229 3.959 20 10 EHCDMN CO[C@H]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000816682018 1136748236 /nfs/dbraw/zinc/74/82/36/1136748236.db2.gz MPEKMVPDEYTRDG-SKDRFNHKSA-N 0 1 332.227 3.520 20 10 EHCDMN CCOC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000113923148 1136757389 /nfs/dbraw/zinc/75/73/89/1136757389.db2.gz PBEGFMVZANPDAH-HNNXBMFYSA-N 0 1 329.440 3.803 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000817881299 1136843250 /nfs/dbraw/zinc/84/32/50/1136843250.db2.gz IXXNXOIWCPFEMU-FUHWJXTLSA-N 0 1 332.488 3.856 20 10 EHCDMN C[C@H](NC[C@H]1CCCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817950833 1136850627 /nfs/dbraw/zinc/85/06/27/1136850627.db2.gz ZWYLMXIGDRYSBN-GXSJLCMTSA-N 0 1 347.684 3.601 20 10 EHCDMN COc1ccc(C)cc1C[NH2+]Cc1c([O-])cccc1Br ZINC000858092616 1136938961 /nfs/dbraw/zinc/93/89/61/1136938961.db2.gz YIFDGYLVYQUCHA-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN COc1ccc(C)cc1CNCc1c(O)cccc1Br ZINC000858092616 1136938962 /nfs/dbraw/zinc/93/89/62/1136938962.db2.gz YIFDGYLVYQUCHA-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc2c(c1)OCO2 ZINC000858094236 1136939231 /nfs/dbraw/zinc/93/92/31/1136939231.db2.gz FAMBSSMMYCIDMN-NSHDSACASA-N 0 1 334.366 3.610 20 10 EHCDMN CN(C)c1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858126338 1136941892 /nfs/dbraw/zinc/94/18/92/1136941892.db2.gz YFKBPULNQPGFCW-UHFFFAOYSA-N 0 1 335.245 3.511 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000858136919 1136942761 /nfs/dbraw/zinc/94/27/61/1136942761.db2.gz YTWSVYNPAHEGRD-QGZVFWFLSA-N 0 1 348.240 3.558 20 10 EHCDMN COC[C@@H](NCc1c(O)cccc1Br)c1ccccc1 ZINC000858136656 1136942767 /nfs/dbraw/zinc/94/27/67/1136942767.db2.gz XFCDKNPPILIYBA-OAHLLOKOSA-N 0 1 336.229 3.632 20 10 EHCDMN COC[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000858136656 1136942768 /nfs/dbraw/zinc/94/27/68/1136942768.db2.gz XFCDKNPPILIYBA-OAHLLOKOSA-N 0 1 336.229 3.632 20 10 EHCDMN CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000858177940 1136947036 /nfs/dbraw/zinc/94/70/36/1136947036.db2.gz UAAULKQOLCZJQT-WBVHZDCISA-N 0 1 348.240 3.557 20 10 EHCDMN CN(Cc1cccs1)c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000823452923 1137100341 /nfs/dbraw/zinc/10/03/41/1137100341.db2.gz GTJIHTWOVCXAHU-HDICACEKSA-N 0 1 328.481 3.748 20 10 EHCDMN C[C@@H](NCc1ccnc(Cl)c1F)c1ccc(N2CCOCC2)cc1 ZINC000823729437 1137112303 /nfs/dbraw/zinc/11/23/03/1137112303.db2.gz GROJQNRGGJFYSX-CYBMUJFWSA-N 0 1 349.837 3.562 20 10 EHCDMN COC1CCC([N@H+](C)Cc2c([O-])cccc2Br)CC1 ZINC000862245277 1137134461 /nfs/dbraw/zinc/13/44/61/1137134461.db2.gz LVRNZVFIXKQVGN-UHFFFAOYSA-N 0 1 328.250 3.544 20 10 EHCDMN COC1CCC([N@@H+](C)Cc2c([O-])cccc2Br)CC1 ZINC000862245277 1137134462 /nfs/dbraw/zinc/13/44/62/1137134462.db2.gz LVRNZVFIXKQVGN-UHFFFAOYSA-N 0 1 328.250 3.544 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000862313599 1137138077 /nfs/dbraw/zinc/13/80/77/1137138077.db2.gz KIAGABIIKPQJML-CQSZACIVSA-N 0 1 347.256 3.614 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000862313599 1137138079 /nfs/dbraw/zinc/13/80/79/1137138079.db2.gz KIAGABIIKPQJML-CQSZACIVSA-N 0 1 347.256 3.614 20 10 EHCDMN C[C@@H](C[N@H+](C)Cc1c([O-])cccc1Br)c1nccs1 ZINC000862323557 1137138483 /nfs/dbraw/zinc/13/84/83/1137138483.db2.gz WPIBIQUZJZUWRY-JTQLQIEISA-N 0 1 341.274 3.847 20 10 EHCDMN C[C@@H](C[N@@H+](C)Cc1c([O-])cccc1Br)c1nccs1 ZINC000862323557 1137138484 /nfs/dbraw/zinc/13/84/84/1137138484.db2.gz WPIBIQUZJZUWRY-JTQLQIEISA-N 0 1 341.274 3.847 20 10 EHCDMN CN(C)c1cc(F)c(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1F ZINC000862350163 1137139492 /nfs/dbraw/zinc/13/94/92/1137139492.db2.gz JQALZFYWPMQDRH-IBGZPJMESA-N 0 1 348.437 3.880 20 10 EHCDMN CO[C@]1(C)CCC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862351580 1137139540 /nfs/dbraw/zinc/13/95/40/1137139540.db2.gz QQQMWWJOINDJFV-OAHLLOKOSA-N 0 1 328.250 3.546 20 10 EHCDMN CO[C@]1(C)CCC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862351580 1137139541 /nfs/dbraw/zinc/13/95/41/1137139541.db2.gz QQQMWWJOINDJFV-OAHLLOKOSA-N 0 1 328.250 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000862367137 1137140792 /nfs/dbraw/zinc/14/07/92/1137140792.db2.gz XCTOIWCGBMCQSA-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000862367137 1137140794 /nfs/dbraw/zinc/14/07/94/1137140794.db2.gz XCTOIWCGBMCQSA-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN Oc1cccc(Br)c1CN1CCC[C@@H]1c1ccncc1 ZINC000862367137 1137140795 /nfs/dbraw/zinc/14/07/95/1137140795.db2.gz XCTOIWCGBMCQSA-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000862367136 1137140807 /nfs/dbraw/zinc/14/08/07/1137140807.db2.gz XCTOIWCGBMCQSA-HNNXBMFYSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000862367136 1137140808 /nfs/dbraw/zinc/14/08/08/1137140808.db2.gz XCTOIWCGBMCQSA-HNNXBMFYSA-N 0 1 333.229 3.887 20 10 EHCDMN Oc1cccc(Br)c1CN1CCC[C@H]1c1ccncc1 ZINC000862367136 1137140809 /nfs/dbraw/zinc/14/08/09/1137140809.db2.gz XCTOIWCGBMCQSA-HNNXBMFYSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000862387181 1137141980 /nfs/dbraw/zinc/14/19/80/1137141980.db2.gz IIPDMWOKNPVLME-OAHLLOKOSA-N 0 1 342.302 3.874 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000862387181 1137141981 /nfs/dbraw/zinc/14/19/81/1137141981.db2.gz IIPDMWOKNPVLME-OAHLLOKOSA-N 0 1 342.302 3.874 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473537 1137146094 /nfs/dbraw/zinc/14/60/94/1137146094.db2.gz UXUVEJFCDRHOBG-OLZOCXBDSA-N 0 1 328.275 3.625 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473537 1137146095 /nfs/dbraw/zinc/14/60/95/1137146095.db2.gz UXUVEJFCDRHOBG-OLZOCXBDSA-N 0 1 328.275 3.625 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-])[C@@H](O)C(F)F ZINC000824644429 1137145609 /nfs/dbraw/zinc/14/56/09/1137145609.db2.gz PIHHZEXYSBJAEO-DMDPSCGWSA-N 0 1 341.320 3.856 20 10 EHCDMN CC[N@@H+](CCc1nccs1)Cc1ccc(Br)cc1[O-] ZINC000824895344 1137155927 /nfs/dbraw/zinc/15/59/27/1137155927.db2.gz UVHYZHAWMAMDBN-UHFFFAOYSA-N 0 1 341.274 3.676 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824696827 1137147208 /nfs/dbraw/zinc/14/72/08/1137147208.db2.gz UULXIVHCPJGUPR-GLQYFDAESA-N 0 1 327.827 3.700 20 10 EHCDMN CC[N@H+](CCc1nccs1)Cc1ccc(Br)cc1[O-] ZINC000824895344 1137155925 /nfs/dbraw/zinc/15/59/25/1137155925.db2.gz UVHYZHAWMAMDBN-UHFFFAOYSA-N 0 1 341.274 3.676 20 10 EHCDMN COC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825278668 1137171369 /nfs/dbraw/zinc/17/13/69/1137171369.db2.gz NMPVUKLHUOVMOE-OAHLLOKOSA-N 0 1 336.229 3.632 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000825359315 1137174704 /nfs/dbraw/zinc/17/47/04/1137174704.db2.gz YIPKMXWUFKNPER-UHFFFAOYSA-N 0 1 331.799 3.862 20 10 EHCDMN C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000863547899 1137191705 /nfs/dbraw/zinc/19/17/05/1137191705.db2.gz SCBXMHZEYKNMDS-KKZNHRDASA-N 0 1 347.684 3.599 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000119921806 1137219572 /nfs/dbraw/zinc/21/95/72/1137219572.db2.gz OZRVHNBDLUHSKS-CQSZACIVSA-N 0 1 332.394 3.652 20 10 EHCDMN C[C@@]1(CC[NH2+]Cc2cc(Br)ccc2[O-])C[C@@]1(F)Cl ZINC000846035882 1137328466 /nfs/dbraw/zinc/32/84/66/1137328466.db2.gz LMHZPVQYPGYZSH-OLZOCXBDSA-N 0 1 336.632 3.949 20 10 EHCDMN C[C@@H](NCc1ccnc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000866473140 1137357886 /nfs/dbraw/zinc/35/78/86/1137357886.db2.gz LBFMKNFVEODCNS-CYBMUJFWSA-N 0 1 349.837 3.562 20 10 EHCDMN C[C@@H]1C[C@@H](NCc2nn(C)cc2C(F)F)c2c1c(F)ccc2O ZINC000866564789 1137365329 /nfs/dbraw/zinc/36/53/29/1137365329.db2.gz BQHBGNQPQISGNC-LDYMZIIASA-N 0 1 325.334 3.541 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000866613060 1137369367 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EHCDMN COc1ccc(N2CCN([C@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168718758 1129429841 /nfs/dbraw/zinc/42/98/41/1129429841.db2.gz ROLNSDAOEMKAKN-KRWDZBQOSA-N 0 1 342.870 3.638 20 10 EHCDMN CCOCc1cc(CN[C@@H](c2ccccn2)C2CC2)ccc1OC ZINC000922585210 1129583861 /nfs/dbraw/zinc/58/38/61/1129583861.db2.gz DMBAEAOBMFOCLO-HXUWFJFHSA-N 0 1 326.440 3.868 20 10 EHCDMN COc1ccc(C2([NH2+]Cc3cc(Br)ccc3[O-])CC2)cc1 ZINC000731678630 1130832200 /nfs/dbraw/zinc/83/22/00/1130832200.db2.gz UHLCYJYGKPEPPF-UHFFFAOYSA-N 0 1 348.240 3.942 20 10 EHCDMN Oc1ccccc1CN(Cc1cn(-c2ccccc2)nn1)C1CCCC1 ZINC000731848153 1130849738 /nfs/dbraw/zinc/84/97/38/1130849738.db2.gz VEZPNAGQLSMIHS-UHFFFAOYSA-N 0 1 348.450 3.918 20 10 EHCDMN COC(=O)[C@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000738057191 1131462224 /nfs/dbraw/zinc/46/22/24/1131462224.db2.gz PKDDSOUIBDSAMI-ZDUSSCGKSA-N 0 1 339.391 3.677 20 10 EHCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000738057191 1131462227 /nfs/dbraw/zinc/46/22/27/1131462227.db2.gz 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CCc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)cc1 ZINC001179909562 1133306135 /nfs/dbraw/zinc/30/61/35/1133306135.db2.gz OLUVIPCSLORDMW-UHFFFAOYSA-N 0 1 330.859 3.930 20 10 EHCDMN CCc1ccc(N2CCN(Cc3ccc(Cl)cc3O)CC2)cc1 ZINC001179909562 1133306139 /nfs/dbraw/zinc/30/61/39/1133306139.db2.gz OLUVIPCSLORDMW-UHFFFAOYSA-N 0 1 330.859 3.930 20 10 EHCDMN Oc1c(F)c(F)ccc1CN1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001180164864 1133341967 /nfs/dbraw/zinc/34/19/67/1133341967.db2.gz CQDQTOSCXSMFSW-NSHDSACASA-N 0 1 345.798 3.959 20 10 EHCDMN CCc1noc(C)c1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000769875007 1133362261 /nfs/dbraw/zinc/36/22/61/1133362261.db2.gz MXCKZXGQOOTXCC-CQSZACIVSA-N 0 1 345.512 3.949 20 10 EHCDMN C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001180521065 1133381416 /nfs/dbraw/zinc/38/14/16/1133381416.db2.gz ILSKYFFSEGRFTH-UHFFFAOYSA-N 0 1 329.293 3.904 20 10 EHCDMN CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(O)c1 ZINC000770291774 1133407139 /nfs/dbraw/zinc/40/71/39/1133407139.db2.gz MFFCSADASNZPTC-MAUKXSAKSA-N 0 1 347.480 3.941 20 10 EHCDMN Oc1ccccc1CN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000770510137 1133435769 /nfs/dbraw/zinc/43/57/69/1133435769.db2.gz YNSFLJWMFJZYAT-UHFFFAOYSA-N 0 1 334.822 3.503 20 10 EHCDMN COC(=O)c1c(CN2CCC(C)=C(C)C2)c2cc(F)ccc2n1C ZINC001181284877 1133476008 /nfs/dbraw/zinc/47/60/08/1133476008.db2.gz HMXIDVBPCMYVTC-UHFFFAOYSA-N 0 1 330.403 3.646 20 10 EHCDMN CO[C@]1(C)CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001181399122 1133487037 /nfs/dbraw/zinc/48/70/37/1133487037.db2.gz HLACDLNULFRGTA-MRXNPFEDSA-N 0 1 330.394 3.772 20 10 EHCDMN COc1cc(Cl)cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1O ZINC001182683462 1133717749 /nfs/dbraw/zinc/71/77/49/1133717749.db2.gz DAAIZILSJSZXMB-UHFFFAOYSA-N 0 1 328.195 3.703 20 10 EHCDMN CCc1cccc(F)c1CN(C)CCN(C)c1ccc(OC)cc1 ZINC001182726481 1133725200 /nfs/dbraw/zinc/72/52/00/1133725200.db2.gz TZNQSQVMLNKQQO-UHFFFAOYSA-N 0 1 330.447 3.965 20 10 EHCDMN Cc1ccc(O)c(CNCc2nc3cc(Br)ccc3o2)c1 ZINC001182958605 1133750831 /nfs/dbraw/zinc/75/08/31/1133750831.db2.gz CHKIJOHJTNLPKL-UHFFFAOYSA-N 0 1 347.212 3.894 20 10 EHCDMN C[N@H+](Cc1ccccc1[O-])C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001203560527 1133776779 /nfs/dbraw/zinc/77/67/79/1133776779.db2.gz BRROVFUUOQAJCD-UHFFFAOYSA-N 0 1 334.460 3.614 20 10 EHCDMN C[N@@H+](Cc1ccccc1[O-])C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001203560527 1133776785 /nfs/dbraw/zinc/77/67/85/1133776785.db2.gz BRROVFUUOQAJCD-UHFFFAOYSA-N 0 1 334.460 3.614 20 10 EHCDMN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2cnc[nH]2)cc1 ZINC000772695643 1133957021 /nfs/dbraw/zinc/95/70/21/1133957021.db2.gz DLRFXTPOSIYWME-UHFFFAOYSA-N 0 1 348.410 3.821 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000774834093 1134035476 /nfs/dbraw/zinc/03/54/76/1134035476.db2.gz AKBPNDWAXXQHEX-ZDUSSCGKSA-N 0 1 330.384 3.810 20 10 EHCDMN COc1c([O-])c(C[N@H+](Cc2ccccc2C)C2CC2)ccc1[N+](=O)[O-] ZINC000774836631 1134037678 /nfs/dbraw/zinc/03/76/78/1134037678.db2.gz UCFWMYNKMMQZNB-UHFFFAOYSA-N 0 1 342.395 3.782 20 10 EHCDMN COc1c([O-])c(C[N@@H+](Cc2ccccc2C)C2CC2)ccc1[N+](=O)[O-] ZINC000774836631 1134037685 /nfs/dbraw/zinc/03/76/85/1134037685.db2.gz UCFWMYNKMMQZNB-UHFFFAOYSA-N 0 1 342.395 3.782 20 10 EHCDMN CCOc1cccc(CN2CCN(c3ccccc3F)C[C@H]2C)c1O ZINC000789590057 1134299454 /nfs/dbraw/zinc/29/94/54/1134299454.db2.gz PSUHNKKKDUTZFW-OAHLLOKOSA-N 0 1 344.430 3.641 20 10 EHCDMN Cc1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)c(C)cc1O ZINC001187961306 1134405719 /nfs/dbraw/zinc/40/57/19/1134405719.db2.gz WMFJMNDGHOTSNR-UHFFFAOYSA-N 0 1 347.223 3.512 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1cc(Br)ccc1[O-] ZINC000790700962 1134454667 /nfs/dbraw/zinc/45/46/67/1134454667.db2.gz HXRAHFUIDREXAP-ZFWWWQNUSA-N 0 1 344.293 3.991 20 10 EHCDMN CC[C@@H](C)n1ncc(NCc2ccc(N3CCN(C)CC3)cc2)c1C ZINC000791002891 1134491762 /nfs/dbraw/zinc/49/17/62/1134491762.db2.gz AZVCNDCWXZMBHV-MRXNPFEDSA-N 0 1 341.503 3.526 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000775194751 1134502082 /nfs/dbraw/zinc/50/20/82/1134502082.db2.gz XUCNEOCJEZBGDR-UHFFFAOYSA-N 0 1 345.870 3.863 20 10 EHCDMN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000792166982 1134662614 /nfs/dbraw/zinc/66/26/14/1134662614.db2.gz XQILWQWEMVYUFG-UHFFFAOYSA-N 0 1 346.830 3.531 20 10 EHCDMN CCN(C)[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000775406676 1134741946 /nfs/dbraw/zinc/74/19/46/1134741946.db2.gz ZIDNCGUNWLJYTQ-UZLBHIALSA-N 0 1 339.483 3.623 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1[O-] ZINC000775491277 1134936256 /nfs/dbraw/zinc/93/62/56/1134936256.db2.gz HIHUELBZKPVBGZ-ZBFHGGJFSA-N 0 1 346.862 3.545 20 10 EHCDMN CC[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775491936 1134944591 /nfs/dbraw/zinc/94/45/91/1134944591.db2.gz JCLFUHVUPSGTOC-MRXNPFEDSA-N 0 1 338.879 3.733 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775493201 1134946113 /nfs/dbraw/zinc/94/61/13/1134946113.db2.gz VEZGGSONTOQZQR-HNNXBMFYSA-N 0 1 333.819 3.777 20 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ZINC000807838655 1135581396 /nfs/dbraw/zinc/58/13/96/1135581396.db2.gz MZYSFDOJUWPOEG-HZMBPMFUSA-N 0 1 346.254 3.911 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc([N+](=O)[O-])c1 ZINC000807839384 1135581444 /nfs/dbraw/zinc/58/14/44/1135581444.db2.gz CUXFFDNNCOWTIO-UHFFFAOYSA-N 0 1 341.150 3.537 20 10 EHCDMN C[C@@H]1CC[C@H](CCC(=O)NCc2cc(Cl)cc(Cl)c2O)O1 ZINC000807839200 1135581743 /nfs/dbraw/zinc/58/17/43/1135581743.db2.gz YWCVXXZEXMVFRD-BXKDBHETSA-N 0 1 332.227 3.663 20 10 EHCDMN Cc1cn2nc(NCc3cc(Cl)cc(Cl)c3O)sc2n1 ZINC000808089251 1135616077 /nfs/dbraw/zinc/61/60/77/1135616077.db2.gz JWRZFOVVMQRLBT-UHFFFAOYSA-N 0 1 329.212 3.724 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncncc1Br ZINC000808090253 1135617025 /nfs/dbraw/zinc/61/70/25/1135617025.db2.gz WBKGBHHFXVXWBL-UHFFFAOYSA-N 0 1 349.015 3.864 20 10 EHCDMN C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000809701547 1135869803 /nfs/dbraw/zinc/86/98/03/1135869803.db2.gz GQXBJRNIRRIQAW-DOMZBBRYSA-N 0 1 342.277 3.670 20 10 EHCDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000809701547 1135869806 /nfs/dbraw/zinc/86/98/06/1135869806.db2.gz GQXBJRNIRRIQAW-DOMZBBRYSA-N 0 1 342.277 3.670 20 10 EHCDMN CCC[N@H+](CCc1ccccn1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000809735150 1135873731 /nfs/dbraw/zinc/87/37/31/1135873731.db2.gz ZHXQXQDYGYFLLW-UHFFFAOYSA-N 0 1 334.847 3.904 20 10 EHCDMN CCC[N@@H+](CCc1ccccn1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000809735150 1135873734 /nfs/dbraw/zinc/87/37/34/1135873734.db2.gz ZHXQXQDYGYFLLW-UHFFFAOYSA-N 0 1 334.847 3.904 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226924 1135941157 /nfs/dbraw/zinc/94/11/57/1135941157.db2.gz NZMDAUIYKQLCSD-TZMCWYRMSA-N 0 1 339.361 3.732 20 10 EHCDMN CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209795 1135943670 /nfs/dbraw/zinc/94/36/70/1135943670.db2.gz VVCBOEXVWSOIFM-WBMJQRKESA-N 0 1 342.405 3.936 20 10 EHCDMN CC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236952 1135946229 /nfs/dbraw/zinc/94/62/29/1135946229.db2.gz CEVFYZVJIBUMAI-ZAMGYDSWSA-N 0 1 349.418 3.753 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000812736078 1136239954 /nfs/dbraw/zinc/23/99/54/1136239954.db2.gz LAVQSYCQJBRWQK-ZIAGYGMSSA-N 0 1 332.394 3.848 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000850482476 1136267386 /nfs/dbraw/zinc/26/73/86/1136267386.db2.gz SMERBOXBAFTQKC-YPMHNXCESA-N 0 1 341.293 3.678 20 10 EHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000747832234 1136279649 /nfs/dbraw/zinc/27/96/49/1136279649.db2.gz OOEDVVPRLNXBGG-DLBZAZTESA-N 0 1 341.451 3.803 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000747832234 1136279652 /nfs/dbraw/zinc/27/96/52/1136279652.db2.gz OOEDVVPRLNXBGG-DLBZAZTESA-N 0 1 341.451 3.803 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000747832234 1136279654 /nfs/dbraw/zinc/27/96/54/1136279654.db2.gz OOEDVVPRLNXBGG-DLBZAZTESA-N 0 1 341.451 3.803 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Br)ccc1[O-] ZINC000850545170 1136282573 /nfs/dbraw/zinc/28/25/73/1136282573.db2.gz MMYZAWZBFIASHL-IUODEOHRSA-N 0 1 342.277 3.604 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000850557995 1136285262 /nfs/dbraw/zinc/28/52/62/1136285262.db2.gz PFJRDKQUCAWHQE-SWLSCSKDSA-N 0 1 338.879 3.733 20 10 EHCDMN CCOC(=O)c1cc(CN(CC)Cc2ccc(N(C)C)cc2)[nH]c1C ZINC000813334394 1136319853 /nfs/dbraw/zinc/31/98/53/1136319853.db2.gz IMRNLVNVMWXOKT-UHFFFAOYSA-N 0 1 343.471 3.588 20 10 EHCDMN Cc1ccncc1/C=C/C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682538 1136356273 /nfs/dbraw/zinc/35/62/73/1136356273.db2.gz FLMSJBSGIMPQLF-NSCUHMNNSA-N 0 1 337.206 3.732 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1[O-] ZINC000852594400 1136469261 /nfs/dbraw/zinc/46/92/61/1136469261.db2.gz MRZSIFVRGZWOBF-SFHVURJKSA-N 0 1 335.419 3.515 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CCC([C@@H]3CCCCO3)CC2)c1O ZINC000852594400 1136469264 /nfs/dbraw/zinc/46/92/64/1136469264.db2.gz MRZSIFVRGZWOBF-SFHVURJKSA-N 0 1 335.419 3.515 20 10 EHCDMN CCC[C@@H](C)C(=O)NCC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000815633232 1136621900 /nfs/dbraw/zinc/62/19/00/1136621900.db2.gz JGCPUOKQPCLWNV-IUODEOHRSA-N 0 1 326.868 3.639 20 10 EHCDMN C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1cc[nH]c(=O)c1 ZINC000815642463 1136624722 /nfs/dbraw/zinc/62/47/22/1136624722.db2.gz CCXQJDWWGPRJBI-UWVGGRQHSA-N 0 1 337.217 3.667 20 10 EHCDMN C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)c(F)cc1[O-] ZINC000816481663 1136723344 /nfs/dbraw/zinc/72/33/44/1136723344.db2.gz DVHIIGKUYJFSLB-UHFFFAOYSA-N 0 1 337.778 3.588 20 10 EHCDMN CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816515965 1136730305 /nfs/dbraw/zinc/73/03/05/1136730305.db2.gz QLQRPHQWCUTQHO-INIZCTEOSA-N 0 1 327.424 3.709 20 10 EHCDMN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816515965 1136730306 /nfs/dbraw/zinc/73/03/06/1136730306.db2.gz QLQRPHQWCUTQHO-INIZCTEOSA-N 0 1 327.424 3.709 20 10 EHCDMN O=C1CCCN1c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816530396 1136730342 /nfs/dbraw/zinc/73/03/42/1136730342.db2.gz GYNBOBSABPZAOK-UHFFFAOYSA-N 0 1 346.430 3.962 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856807635 1136813393 /nfs/dbraw/zinc/81/33/93/1136813393.db2.gz PIQNMUXLFNZQLH-VIFPVBQESA-N 0 1 339.060 3.828 20 10 EHCDMN CC[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1O ZINC000857875555 1136916651 /nfs/dbraw/zinc/91/66/51/1136916651.db2.gz SNAODRLICQBEDB-FUHWJXTLSA-N 0 1 344.842 3.800 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000858150668 1136944444 /nfs/dbraw/zinc/94/44/44/1136944444.db2.gz DXFGMVWXNIIZGE-SWLSCSKDSA-N 0 1 342.277 3.576 20 10 EHCDMN CC(C)[C@@H]1C[C@H](C[NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000858173002 1136946664 /nfs/dbraw/zinc/94/66/64/1136946664.db2.gz NNRPILGNFRMUPX-WBMJQRKESA-N 0 1 342.277 3.696 20 10 EHCDMN COc1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1C ZINC000858196759 1136948897 /nfs/dbraw/zinc/94/88/97/1136948897.db2.gz VLLMLAXSGUBTSL-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN COc1ccc([C@H](NCc2cc(F)c(N(C)C)cc2F)C2CC2)cn1 ZINC000858341237 1136959612 /nfs/dbraw/zinc/95/96/12/1136959612.db2.gz DGRXHAXPRNCTSH-LJQANCHMSA-N 0 1 347.409 3.675 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc2ccccc2c1[O-] ZINC000858478942 1136971762 /nfs/dbraw/zinc/97/17/62/1136971762.db2.gz FNCBTZZPSKIDTG-ZFWWWQNUSA-N 0 1 334.410 3.926 20 10 EHCDMN CN(C)c1ccc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000822526834 1137062556 /nfs/dbraw/zinc/06/25/56/1137062556.db2.gz ZFDLLKWSUQINNK-RTBURBONSA-N 0 1 330.859 3.714 20 10 EHCDMN CCOc1ccc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC000822526838 1137062590 /nfs/dbraw/zinc/06/25/90/1137062590.db2.gz ZHLKVUGOVXFMJH-IEBWSBKVSA-N 0 1 347.842 3.752 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cc(C3CC3)nn2C)cc1F ZINC000823840812 1137115889 /nfs/dbraw/zinc/11/58/89/1137115889.db2.gz BDMDWGVSRNZVHN-UHFFFAOYSA-N 0 1 330.451 3.573 20 10 EHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862351391 1137139503 /nfs/dbraw/zinc/13/95/03/1137139503.db2.gz OKHWLBDFRVOBGL-SCZZXKLOSA-N 0 1 338.167 3.927 20 10 EHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])cccc1Br ZINC000862351391 1137139505 /nfs/dbraw/zinc/13/95/05/1137139505.db2.gz OKHWLBDFRVOBGL-SCZZXKLOSA-N 0 1 338.167 3.927 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000862402776 1137142638 /nfs/dbraw/zinc/14/26/38/1137142638.db2.gz RKYGQFJUUYGUCE-CYBMUJFWSA-N 0 1 340.261 3.688 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000862402776 1137142640 /nfs/dbraw/zinc/14/26/40/1137142640.db2.gz RKYGQFJUUYGUCE-CYBMUJFWSA-N 0 1 340.261 3.688 20 10 EHCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000824635552 1137145491 /nfs/dbraw/zinc/14/54/91/1137145491.db2.gz HRCPPVZOVJYNEF-AZUAARDMSA-N 0 1 341.451 3.564 20 10 EHCDMN O=C1C[C@]2(CCCN(Cc3cc(F)ccc3O)C2)Oc2ccccc21 ZINC000862482227 1137146394 /nfs/dbraw/zinc/14/63/94/1137146394.db2.gz QLPYKMWRYXANRS-FQEVSTJZSA-N 0 1 341.382 3.531 20 10 EHCDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H]1n1cccn1 ZINC000825117539 1137166084 /nfs/dbraw/zinc/16/60/84/1137166084.db2.gz GQFGVRLCYCZJTF-UAGQMJEPSA-N 0 1 349.862 3.529 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1Cl ZINC000825258774 1137170814 /nfs/dbraw/zinc/17/08/14/1137170814.db2.gz FELUEABRJCYBNR-UHFFFAOYSA-N 0 1 332.831 3.861 20 10 EHCDMN COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825352923 1137174309 /nfs/dbraw/zinc/17/43/09/1137174309.db2.gz KHCNZPCVVWURKC-OAHLLOKOSA-N 0 1 348.240 3.940 20 10 EHCDMN COc1cc(OC)c(NCc2ccc(F)c(F)c2O)cc1Cl ZINC000864017685 1137211977 /nfs/dbraw/zinc/21/19/77/1137211977.db2.gz ATVQDXRNHRZIHE-UHFFFAOYSA-N 0 1 329.730 3.953 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000794827077 1137267843 /nfs/dbraw/zinc/26/78/43/1137267843.db2.gz HAXZLXWCCKLFQL-GDBMZVCRSA-N 0 1 346.421 3.843 20 10 EHCDMN Cc1nocc1CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000865678210 1137303876 /nfs/dbraw/zinc/30/38/76/1137303876.db2.gz ALBQDZKMPTVBQB-UHFFFAOYSA-N 0 1 333.435 3.836 20 10 EHCDMN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000865731697 1137307538 /nfs/dbraw/zinc/30/75/38/1137307538.db2.gz WQNNHAZWVRLGSQ-JTQLQIEISA-N 0 1 347.365 3.728 20 10 EHCDMN C[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])CC1(C)OCCO1 ZINC000866425888 1137353928 /nfs/dbraw/zinc/35/39/28/1137353928.db2.gz PURNJQSFVKXPQM-HUUCEWRRSA-N 0 1 329.440 3.985 20 10 EHCDMN CC[C@@H](NCc1nn(C)cc1C(F)F)c1cc(Cl)ccc1O ZINC000866564734 1137364825 /nfs/dbraw/zinc/36/48/25/1137364825.db2.gz AIJXRVBEPHJPPF-GFCCVEGCSA-N 0 1 329.778 3.958 20 10 EHCDMN CC[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(Cl)ccc1[O-] ZINC000866564734 1137364827 /nfs/dbraw/zinc/36/48/27/1137364827.db2.gz AIJXRVBEPHJPPF-GFCCVEGCSA-N 0 1 329.778 3.958 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282752723 1137448430 /nfs/dbraw/zinc/44/84/30/1137448430.db2.gz SQCILTGTCJXTSO-HNNXBMFYSA-N 0 1 340.261 3.594 20 10 EHCDMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000773105667 1137465806 /nfs/dbraw/zinc/46/58/06/1137465806.db2.gz ILAWMAGKDHFWLV-GXTWGEPZSA-N 0 1 348.384 3.780 20 10 EHCDMN Cc1ccc([C@H](C)NCc2ncc(Br)s2)c(O)c1 ZINC000714930727 1137474429 /nfs/dbraw/zinc/47/44/29/1137474429.db2.gz OFHJHINFVPLFID-VIFPVBQESA-N 0 1 327.247 3.770 20 10 EHCDMN CN(Cc1ccc(Cl)nc1)Cc1cc(Br)ccc1O ZINC000125700455 1137641669 /nfs/dbraw/zinc/64/16/69/1137641669.db2.gz CNLVPSGXQVHKOW-UHFFFAOYSA-N 0 1 341.636 3.835 20 10 EHCDMN Oc1ccccc1CN(Cc1ccc(C(F)F)nc1)C[C@@H]1CCCO1 ZINC000876531785 1137654628 /nfs/dbraw/zinc/65/46/28/1137654628.db2.gz OXXINXITBCXDIY-INIZCTEOSA-N 0 1 348.393 3.906 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc(F)c1F ZINC000876804205 1137661826 /nfs/dbraw/zinc/66/18/26/1137661826.db2.gz NWXVFMWTHZFQHJ-TZMCWYRMSA-N 0 1 339.407 3.820 20 10 EHCDMN COc1cc(CNCc2ccc(N(C)C)cc2C)c(Cl)cc1O ZINC000877031198 1137668178 /nfs/dbraw/zinc/66/81/78/1137668178.db2.gz OTEISDQDYKJXHW-UHFFFAOYSA-N 0 1 334.847 3.718 20 10 EHCDMN COc1cc(C[N@@H+](Cc2ccc(F)c(F)c2[O-])C2CC2)ccc1O ZINC000877424545 1137675916 /nfs/dbraw/zinc/67/59/16/1137675916.db2.gz XXQCRCQOENPNNX-UHFFFAOYSA-N 0 1 335.350 3.549 20 10 EHCDMN [O-]c1c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)ccc(F)c1F ZINC000877517949 1137679297 /nfs/dbraw/zinc/67/92/97/1137679297.db2.gz QUYGIRBOAQNYFF-RYRKJORJSA-N 0 1 345.389 3.675 20 10 EHCDMN Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccc(F)c(F)c1O ZINC000877586540 1137682090 /nfs/dbraw/zinc/68/20/90/1137682090.db2.gz IRUGCBVJZKIEPK-UHFFFAOYSA-N 0 1 346.377 3.827 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877673838 1137685371 /nfs/dbraw/zinc/68/53/71/1137685371.db2.gz SNMFFUBCBZUPPS-WBVHZDCISA-N 0 1 335.806 3.883 20 10 EHCDMN CC1(C)N[C@H](c2cc(Cl)c(F)cc2O)N(c2ccccc2)C1=O ZINC000877856996 1137693710 /nfs/dbraw/zinc/69/37/10/1137693710.db2.gz JTXODUYHVRHJKK-HNNXBMFYSA-N 0 1 334.778 3.598 20 10 EHCDMN CN(CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)Cc1ccccc1O ZINC000878242395 1137708351 /nfs/dbraw/zinc/70/83/51/1137708351.db2.gz QLDYJONMDIIZRW-XBXGTLAGSA-N 0 1 329.362 3.762 20 10 EHCDMN C[C@H](N[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccc1O ZINC000879651595 1137753825 /nfs/dbraw/zinc/75/38/25/1137753825.db2.gz CPDIPEPWFJDUKX-OXJNMPFZSA-N 0 1 338.451 3.797 20 10 EHCDMN CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000826121011 1137755113 /nfs/dbraw/zinc/75/51/13/1137755113.db2.gz MFRRYAQJPIVGTB-WBVHZDCISA-N 0 1 348.240 3.557 20 10 EHCDMN C[NH+](C)CCCOc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883063863 1137843164 /nfs/dbraw/zinc/84/31/64/1137843164.db2.gz FYHNMBOWVSXHGG-UHFFFAOYSA-N 0 1 336.382 3.613 20 10 EHCDMN CCCCNC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000216480982 1137980829 /nfs/dbraw/zinc/98/08/29/1137980829.db2.gz WQKMWLBFEABGRS-QGZVFWFLSA-N 0 1 340.467 3.872 20 10 EHCDMN Fc1cc(CNCc2cscc2Cl)ccc1N1CCOCC1 ZINC000886199116 1138058327 /nfs/dbraw/zinc/05/83/27/1138058327.db2.gz LGQHQMAEQSIMMW-UHFFFAOYSA-N 0 1 340.851 3.667 20 10 EHCDMN Cc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1C ZINC000066651351 1138076750 /nfs/dbraw/zinc/07/67/50/1138076750.db2.gz UFFKBEDHKAANOQ-WJDWOHSUSA-N 0 1 346.521 3.599 20 10 EHCDMN OC1(C(F)(F)F)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000136856622 1138819789 /nfs/dbraw/zinc/81/97/89/1138819789.db2.gz GYRLPWLTCFJEMW-UHFFFAOYSA-N 0 1 342.405 3.566 20 10 EHCDMN CCN(CC)c1ccc(CN(C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000179766525 1139780911 /nfs/dbraw/zinc/78/09/11/1139780911.db2.gz MIQNYVGGHYBUCO-XMMPIXPASA-N 0 1 344.524 3.902 20 10 EHCDMN Cc1noc(C)c1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000181014116 1139879134 /nfs/dbraw/zinc/87/91/34/1139879134.db2.gz QPDJJIRHGXHBOT-MRVPVSSYSA-N 0 1 325.206 3.610 20 10 EHCDMN CCN(CC)c1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000182104091 1139950614 /nfs/dbraw/zinc/95/06/14/1139950614.db2.gz ZCBZJEIBJMGYRT-YKSBVNFPSA-N 0 1 344.524 3.742 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000184854778 1140122765 /nfs/dbraw/zinc/12/27/65/1140122765.db2.gz JAFWQGOXCSABCZ-BDJLRTHQSA-N 0 1 336.229 3.539 20 10 EHCDMN CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185606149 1140158849 /nfs/dbraw/zinc/15/88/49/1140158849.db2.gz PDXPDFONSVMHMF-VXGBXAGGSA-N 0 1 330.266 3.604 20 10 EHCDMN CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185657288 1140161342 /nfs/dbraw/zinc/16/13/42/1140161342.db2.gz YNUCETFTTCMIOX-GCAAKWKVSA-N 0 1 329.893 3.776 20 10 EHCDMN C[C@H](NCc1nccn1CCc1ccccc1)c1cc(F)ccc1O ZINC000185661863 1140161557 /nfs/dbraw/zinc/16/15/57/1140161557.db2.gz OWNWACCNDNZQJX-HNNXBMFYSA-N 0 1 339.414 3.821 20 10 EHCDMN COc1ccc(N[C@H](C)c2ccc(F)c(F)c2O)c(OC)c1OC ZINC000187868931 1140274857 /nfs/dbraw/zinc/27/48/57/1140274857.db2.gz JXVJCCNAHAGDJO-SECBINFHSA-N 0 1 339.338 3.869 20 10 EHCDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccco1 ZINC000268865081 1141012725 /nfs/dbraw/zinc/01/27/25/1141012725.db2.gz NOQKJEUSWKGLIQ-ZNMIVQPWSA-N 0 1 332.419 3.883 20 10 EHCDMN Fc1ccc(F)c2c1CC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000269903354 1141155476 /nfs/dbraw/zinc/15/54/76/1141155476.db2.gz ZXWSWWBNJKQIAE-LJQANCHMSA-N 0 1 344.405 3.579 20 10 EHCDMN COc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)c(F)c1)CCO2 ZINC000274244877 1141489185 /nfs/dbraw/zinc/48/91/85/1141489185.db2.gz IICWYBXLOHPQCC-KRWDZBQOSA-N 0 1 330.403 3.514 20 10 EHCDMN CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833450771 604867249 /nfs/dbraw/zinc/86/72/49/604867249.db2.gz ZVRCCHPKXKDGRY-AWEZNQCLSA-N 0 1 349.471 3.718 20 10 EHCDMN Cc1cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC001594303144 957928856 /nfs/dbraw/zinc/92/88/56/957928856.db2.gz MDABVAXRUNNWSL-CRAIPNDOSA-N 0 1 330.472 3.528 20 10 EHCDMN CC(C)(C)c1n[nH]cc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160194648 1014311190 /nfs/dbraw/zinc/31/11/90/1014311190.db2.gz OWGKQFRXLDHISX-KRWDZBQOSA-N 0 1 343.471 3.594 20 10 EHCDMN O=C([O-])C[C@H]1CCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000833211231 979119141 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C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(Br)n1 ZINC000924902150 1019618353 /nfs/dbraw/zinc/61/83/53/1019618353.db2.gz XIBYEVZUNDMXII-LLVKDONJSA-N 0 1 333.229 3.630 20 10 EHCDMN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ncco1 ZINC000924905710 1019814282 /nfs/dbraw/zinc/81/42/82/1019814282.db2.gz IVQPJGZPPWFUCL-LBPRGKRZSA-N 0 1 337.370 3.596 20 10 EHCDMN CN(C)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)c(C(F)(F)F)c1 ZINC000280268430 1020236238 /nfs/dbraw/zinc/23/62/38/1020236238.db2.gz LTFFTILMESMDGI-OAHLLOKOSA-N 0 1 338.377 3.662 20 10 EHCDMN COC(=O)c1c(CNCc2cscc2C)c2cc(F)ccc2n1C ZINC000894579051 1022583609 /nfs/dbraw/zinc/58/36/09/1022583609.db2.gz CBYJZJPJCDWZSC-UHFFFAOYSA-N 0 1 346.427 3.764 20 10 EHCDMN COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c(O)c1OC ZINC000894706927 1022777510 /nfs/dbraw/zinc/77/75/10/1022777510.db2.gz IWGKLUFUSADKFL-JQWIXIFHSA-N 0 1 333.350 3.572 20 10 EHCDMN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCCN1C ZINC000295057559 1023156106 /nfs/dbraw/zinc/15/61/06/1023156106.db2.gz 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COc1ccc(O)c(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000245608310 1040152560 /nfs/dbraw/zinc/15/25/60/1040152560.db2.gz AEZDKOPKIRHMCE-YWZLYKJASA-N 0 1 327.424 3.671 20 10 EHCDMN CC(C)(CO)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000123455267 1040849657 /nfs/dbraw/zinc/84/96/57/1040849657.db2.gz ZDXNXZCZHXYERD-INIZCTEOSA-N 0 1 333.859 3.938 20 10 EHCDMN C[Si](C)(C)CCS(=O)(=O)Nc1cc(Cl)c(O)cc1Cl ZINC001195071890 1135363568 /nfs/dbraw/zinc/36/35/68/1135363568.db2.gz IFBWLVCTINLKRQ-UHFFFAOYSA-N 0 1 342.320 3.779 20 10 EHCDMN CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000184885934 1126706986 /nfs/dbraw/zinc/70/69/86/1126706986.db2.gz XFAUAHLLRTUBBT-WMZOPIPTSA-N 0 1 342.483 3.553 20 10 EHCDMN COCC1=CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000185026391 1126736955 /nfs/dbraw/zinc/73/69/55/1126736955.db2.gz ZTIGEOSWBDZVNJ-UHFFFAOYSA-N 0 1 327.424 3.796 20 10 EHCDMN COCC1=CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000185026391 1126736957 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Cc1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)n[nH]1 ZINC000181581001 1124948328 /nfs/dbraw/zinc/94/83/28/1124948328.db2.gz VPQTYCHABGDUSP-HNNXBMFYSA-N 0 1 335.407 3.827 20 10 EHCDMN COc1ccc(N2CC[C@H](CNCc3nc(C(C)(C)C)co3)C2)cc1 ZINC000922196232 1129334945 /nfs/dbraw/zinc/33/49/45/1129334945.db2.gz JBHCUSVNSNLZBP-OAHLLOKOSA-N 0 1 343.471 3.597 20 10 EHCDMN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000700641867 1130054114 /nfs/dbraw/zinc/05/41/14/1130054114.db2.gz SIEDOIINHYBFPI-RHSMWYFYSA-N 0 1 346.421 3.671 20 10 EHCDMN CCCN(CC(=O)Nc1c(F)cccc1F)Cc1ccccc1O ZINC000727831071 1130598506 /nfs/dbraw/zinc/59/85/06/1130598506.db2.gz GPDKIHFUXQRQJA-UHFFFAOYSA-N 0 1 334.366 3.521 20 10 EHCDMN Cc1cc(C)n(CCN(Cc2ccco2)Cc2ccccc2O)n1 ZINC000731844587 1130848127 /nfs/dbraw/zinc/84/81/27/1130848127.db2.gz SVZVWVCTCGHPDJ-UHFFFAOYSA-N 0 1 325.412 3.501 20 10 EHCDMN Cc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)c(C)n1-c1cccc(C)c1 ZINC000766693145 1132753087 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Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000793609640 1134971076 /nfs/dbraw/zinc/97/10/76/1134971076.db2.gz QLHZEYRFZWHZKU-LSDHHAIUSA-N 0 1 340.261 3.607 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000775511395 1134981850 /nfs/dbraw/zinc/98/18/50/1134981850.db2.gz AIQVKPYSLTXTAC-CJNGLKHVSA-N 0 1 349.837 3.899 20 10 EHCDMN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cc(Cl)ccc2[O-])[C@]12CCCO2 ZINC000775555347 1135068426 /nfs/dbraw/zinc/06/84/26/1135068426.db2.gz KVKBXUMKGOCIIG-BZZMCLGOSA-N 0 1 339.863 3.813 20 10 EHCDMN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000775581402 1135118131 /nfs/dbraw/zinc/11/81/31/1135118131.db2.gz OFZFVOOPLUHXSI-AGIUHOORSA-N 0 1 340.851 3.563 20 10 EHCDMN CC(C)OCCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805277947 1135255320 /nfs/dbraw/zinc/25/53/20/1135255320.db2.gz OCZMUSCKZILCJN-UHFFFAOYSA-N 0 1 349.258 3.703 20 10 EHCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1COc2ccccc2O1 ZINC000775643625 1135382347 /nfs/dbraw/zinc/38/23/47/1135382347.db2.gz TWGDYQJHIIAEFM-CQSZACIVSA-N 0 1 333.815 3.708 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CCCSC1 ZINC000807595466 1135557778 /nfs/dbraw/zinc/55/77/78/1135557778.db2.gz UJCZFZBLSZXDJQ-VIFPVBQESA-N 0 1 349.283 3.641 20 10 EHCDMN COc1ccc(O)c(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1 ZINC000775720949 1135570965 /nfs/dbraw/zinc/57/09/65/1135570965.db2.gz QQNGAMJQNMOMBK-IERDGZPVSA-N 0 1 341.451 3.980 20 10 EHCDMN CCc1nc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000807838877 1135575442 /nfs/dbraw/zinc/57/54/42/1135575442.db2.gz SSLJUPNIUVXOJK-UHFFFAOYSA-N 0 1 345.251 3.956 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1nc(Cl)cs1 ZINC000807838865 1135575547 /nfs/dbraw/zinc/57/55/47/1135575547.db2.gz AYSYIWUZAZYRBU-UHFFFAOYSA-N 0 1 337.615 3.739 20 10 EHCDMN CCC[C@H]1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000807840575 1135575559 /nfs/dbraw/zinc/57/55/59/1135575559.db2.gz DYXLUAZFJXDTIF-MFKMUULPSA-N 0 1 346.254 3.911 20 10 EHCDMN CC(C)(C)OCCCC(=O)NCc1cc(Cl)cc(Cl)c1O 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3.561 20 10 EHCDMN CN(C)CC[N@@H+](CCc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000809731348 1135872964 /nfs/dbraw/zinc/87/29/64/1135872964.db2.gz UOQLTDDFZMQRMH-UHFFFAOYSA-N 0 1 332.875 3.652 20 10 EHCDMN C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1c([O-])cccc1Cl ZINC000809702743 1135874558 /nfs/dbraw/zinc/87/45/58/1135874558.db2.gz XJHNYXWLNJACLK-UHFFFAOYSA-N 0 1 343.814 3.770 20 10 EHCDMN C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1c([O-])cccc1Cl ZINC000809702743 1135874562 /nfs/dbraw/zinc/87/45/62/1135874562.db2.gz XJHNYXWLNJACLK-UHFFFAOYSA-N 0 1 343.814 3.770 20 10 EHCDMN Cc1nn(C(C)C)cc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809714126 1135876827 /nfs/dbraw/zinc/87/68/27/1135876827.db2.gz ZDGDHQIEVDVKHR-UHFFFAOYSA-N 0 1 338.249 3.530 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@]2(C)CCCO)c1 ZINC000809757727 1135886966 /nfs/dbraw/zinc/88/69/66/1135886966.db2.gz SKWJXCXXQHLKQB-MRXNPFEDSA-N 0 1 342.277 3.590 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215859 1135938475 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20 10 EHCDMN COc1cc(CN[C@@H](CCO)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850248429 1136226988 /nfs/dbraw/zinc/22/69/88/1136226988.db2.gz BYHGZCKZHITQFD-INIZCTEOSA-N 0 1 333.428 3.505 20 10 EHCDMN CCN(CC)c1ccc(CNCc2c3c(nn2C)CCCC3)cc1F ZINC000812773770 1136245612 /nfs/dbraw/zinc/24/56/12/1136245612.db2.gz QYEPFKQPBUHNRY-UHFFFAOYSA-N 0 1 344.478 3.574 20 10 EHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1(COC)CCC1 ZINC000812827058 1136251108 /nfs/dbraw/zinc/25/11/08/1136251108.db2.gz CKVUPSXTKBDHDQ-UHFFFAOYSA-N 0 1 342.277 3.793 20 10 EHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1(COC)CCC1 ZINC000812827058 1136251110 /nfs/dbraw/zinc/25/11/10/1136251110.db2.gz CKVUPSXTKBDHDQ-UHFFFAOYSA-N 0 1 342.277 3.793 20 10 EHCDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000850422264 1136255675 /nfs/dbraw/zinc/25/56/75/1136255675.db2.gz KTCYMZIJSCCMTQ-ZDUSSCGKSA-N 0 1 329.400 3.520 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000850481017 1136267117 /nfs/dbraw/zinc/26/71/17/1136267117.db2.gz 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COc1ccc(O)c([C@@H](C)NCc2nc3ccc(Cl)cc3n2C)c1 ZINC000813330778 1136318807 /nfs/dbraw/zinc/31/88/07/1136318807.db2.gz HHPFTGABJJLVJA-LLVKDONJSA-N 0 1 345.830 3.792 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2ccnc(Cl)c2Cl)c1 ZINC000813331880 1136319162 /nfs/dbraw/zinc/31/91/62/1136319162.db2.gz XABPAPWEUFSGQD-SECBINFHSA-N 0 1 327.211 3.953 20 10 EHCDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccccc1O ZINC000109772033 1136339637 /nfs/dbraw/zinc/33/96/37/1136339637.db2.gz FIHUZOFNKVCQNW-UHFFFAOYSA-N 0 1 330.384 3.720 20 10 EHCDMN Oc1cc2c(cc1C[N@H+]1CCC[C@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853610961 1136549164 /nfs/dbraw/zinc/54/91/64/1136549164.db2.gz VULJAFCKXTXDNT-KXBFYZLASA-N 0 1 331.456 3.610 20 10 EHCDMN Cc1cc(N(C)C)ccc1CNCc1conc1Cc1ccccc1 ZINC000815124662 1136553817 /nfs/dbraw/zinc/55/38/17/1136553817.db2.gz GXANNLJYMONUAB-UHFFFAOYSA-N 0 1 335.451 3.930 20 10 EHCDMN CC(C)(C)OC(=O)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816483455 1136723766 /nfs/dbraw/zinc/72/37/66/1136723766.db2.gz STENEHKHWPKHPN-UHFFFAOYSA-N 0 1 342.439 3.598 20 10 EHCDMN O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816505233 1136728176 /nfs/dbraw/zinc/72/81/76/1136728176.db2.gz QQQYVCGMIVHNIN-SFHVURJKSA-N 0 1 338.451 3.522 20 10 EHCDMN O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816505233 1136728177 /nfs/dbraw/zinc/72/81/77/1136728177.db2.gz QQQYVCGMIVHNIN-SFHVURJKSA-N 0 1 338.451 3.522 20 10 EHCDMN CN(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])Cc1ccccc1 ZINC000816530117 1136730261 /nfs/dbraw/zinc/73/02/61/1136730261.db2.gz UPOYJGVFOCAPQG-HXUWFJFHSA-N 0 1 334.463 3.808 20 10 EHCDMN CC(=O)Nc1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816547579 1136732418 /nfs/dbraw/zinc/73/24/18/1136732418.db2.gz BBMMARATQMBWOG-UHFFFAOYSA-N 0 1 334.419 3.836 20 10 EHCDMN CN1CCN(c2ccccc2NCc2cc(Cl)c(F)cc2O)CC1 ZINC000816524311 1136733530 /nfs/dbraw/zinc/73/35/30/1136733530.db2.gz ZXNJNDVWOLLUKM-UHFFFAOYSA-N 0 1 349.837 3.549 20 10 EHCDMN [O-]c1c(C[NH2+]Cc2cccc3c2OCCCO3)ccc2ccccc21 ZINC000816557339 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Cc1nc2c(s1)[C@H](NCc1cc(F)c(N(C)C)cc1F)CCC2 ZINC000858157840 1136945404 /nfs/dbraw/zinc/94/54/04/1136945404.db2.gz RCCPLIQBDXVEPN-CQSZACIVSA-N 0 1 337.439 3.963 20 10 EHCDMN Cc1cc(CNCc2cnc([C@H](C)O)s2)c(C)n1-c1ccccc1 ZINC000858294997 1136955828 /nfs/dbraw/zinc/95/58/28/1136955828.db2.gz SEQUUJJKURKRDM-HNNXBMFYSA-N 0 1 341.480 3.894 20 10 EHCDMN Cc1csc([C@H](C)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000858354322 1136961159 /nfs/dbraw/zinc/96/11/59/1136961159.db2.gz NNHDVDXHHWYIQF-AWEZNQCLSA-N 0 1 333.526 3.856 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1[O-] ZINC000823660272 1137108430 /nfs/dbraw/zinc/10/84/30/1137108430.db2.gz IVNOMGZWZBRENW-LJQANCHMSA-N 0 1 347.430 3.515 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1[O-] ZINC000823660272 1137108432 /nfs/dbraw/zinc/10/84/32/1137108432.db2.gz IVNOMGZWZBRENW-LJQANCHMSA-N 0 1 347.430 3.515 20 10 EHCDMN CCC[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000862023894 1137127397 /nfs/dbraw/zinc/12/73/97/1137127397.db2.gz KDJMAHOQZXSORT-SJORKVTESA-N 0 1 333.520 3.658 20 10 EHCDMN CCCO[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862242810 1137134495 /nfs/dbraw/zinc/13/44/95/1137134495.db2.gz RKSVFWLDCHOGBS-HNNXBMFYSA-N 0 1 326.431 3.812 20 10 EHCDMN COc1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1F ZINC000862253045 1137135675 /nfs/dbraw/zinc/13/56/75/1137135675.db2.gz ZUSSSSMWONOFEP-UHFFFAOYSA-N 0 1 339.414 3.638 20 10 EHCDMN Cc1cc(Cl)cc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824636868 1137145719 /nfs/dbraw/zinc/14/57/19/1137145719.db2.gz UPDFFXOXVKBYMV-HKUYNNGSSA-N 0 1 349.833 3.654 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824696829 1137147093 /nfs/dbraw/zinc/14/70/93/1137147093.db2.gz UULXIVHCPJGUPR-KCPJHIHWSA-N 0 1 327.827 3.700 20 10 EHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](CO)c1ccccc1 ZINC000824696500 1137148973 /nfs/dbraw/zinc/14/89/73/1137148973.db2.gz NQGQJXZWELCDAA-HNNXBMFYSA-N 0 1 326.223 3.864 20 10 EHCDMN [O-]c1c(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)ccc2ccccc21 ZINC000824955731 1137159209 /nfs/dbraw/zinc/15/92/09/1137159209.db2.gz YUZBQLGQFICJFQ-AZUAARDMSA-N 0 1 334.419 3.950 20 10 EHCDMN COc1cc(NCc2ccc(F)c(F)c2O)c(OC)cc1Cl ZINC000864031065 1137212450 /nfs/dbraw/zinc/21/24/50/1137212450.db2.gz UAKAIVMKWYGBNN-UHFFFAOYSA-N 0 1 329.730 3.953 20 10 EHCDMN C[C@]1(F)CCN(Cc2cc(Br)c(F)cc2O)C[C@H]1F ZINC001144298506 1137268636 /nfs/dbraw/zinc/26/86/36/1137268636.db2.gz FAURMTWAKQPJPG-OLZOCXBDSA-N 0 1 338.167 3.566 20 10 EHCDMN C[C@@]1(F)CCN(Cc2cc(Br)c(F)cc2O)C[C@H]1F ZINC001144298505 1137268648 /nfs/dbraw/zinc/26/86/48/1137268648.db2.gz FAURMTWAKQPJPG-CHWSQXEVSA-N 0 1 338.167 3.566 20 10 EHCDMN CCN(Cc1cc(Br)c(F)cc1O)CC(F)(F)F ZINC001144306570 1137270696 /nfs/dbraw/zinc/27/06/96/1137270696.db2.gz HIPBLHGLIDFBJX-UHFFFAOYSA-N 0 1 330.119 3.678 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cc3c(cc[nH]c3=O)o2)cc1 ZINC000865418654 1137281884 /nfs/dbraw/zinc/28/18/84/1137281884.db2.gz MFNBRDUIAFCGEG-UHFFFAOYSA-N 0 1 325.412 3.669 20 10 EHCDMN CN(C)/C=C/c1ccncc1NCc1cc(Br)ccc1O ZINC001171176534 1137286597 /nfs/dbraw/zinc/28/65/97/1137286597.db2.gz QVBSYICFBJBCBY-SOFGYWHQSA-N 0 1 348.244 3.694 20 10 EHCDMN Cc1nocc1CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000865678831 1137303812 /nfs/dbraw/zinc/30/38/12/1137303812.db2.gz QMCBPPJTGXVYKY-UHFFFAOYSA-N 0 1 327.453 3.971 20 10 EHCDMN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000865731698 1137307628 /nfs/dbraw/zinc/30/76/28/1137307628.db2.gz WQNNHAZWVRLGSQ-SNVBAGLBSA-N 0 1 347.365 3.728 20 10 EHCDMN COc1cccc([C@H](C)NCc2nc3cc(Cl)ccc3n2C)c1O ZINC000846166275 1137337534 /nfs/dbraw/zinc/33/75/34/1137337534.db2.gz VOENNHOVJPTOBI-NSHDSACASA-N 0 1 345.830 3.792 20 10 EHCDMN C[C@H](NCc1nc(C(F)(F)F)n2c1CCCC2)c1ccccc1O ZINC000866559559 1137364709 /nfs/dbraw/zinc/36/47/09/1137364709.db2.gz ITZYYSYKJUTLCN-NSHDSACASA-N 0 1 339.361 3.795 20 10 EHCDMN CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001172327028 1137547622 /nfs/dbraw/zinc/54/76/22/1137547622.db2.gz CHJHGXWEHOZFTQ-NWDGAFQWSA-N 0 1 330.266 3.838 20 10 EHCDMN Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000872133850 1137573431 /nfs/dbraw/zinc/57/34/31/1137573431.db2.gz PGRMVTMTJDRVFF-GXSJLCMTSA-N 0 1 336.233 3.665 20 10 EHCDMN Cc1csc([C@H]2CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)n1 ZINC000872807530 1137584839 /nfs/dbraw/zinc/58/48/39/1137584839.db2.gz UBVKWDZTCXGOJZ-AWEZNQCLSA-N 0 1 325.437 3.695 20 10 EHCDMN Cc1csc([C@H]2CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)n1 ZINC000872807530 1137584840 /nfs/dbraw/zinc/58/48/40/1137584840.db2.gz UBVKWDZTCXGOJZ-AWEZNQCLSA-N 0 1 325.437 3.695 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000825709957 1137609362 /nfs/dbraw/zinc/60/93/62/1137609362.db2.gz DIHZONPDEXTFBQ-VIFPVBQESA-N 0 1 338.167 3.929 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000825709957 1137609363 /nfs/dbraw/zinc/60/93/63/1137609363.db2.gz DIHZONPDEXTFBQ-VIFPVBQESA-N 0 1 338.167 3.929 20 10 EHCDMN CCN(Cc1ccccc1NCc1ccc(F)c(F)c1O)C(C)=O ZINC000876817539 1137662358 /nfs/dbraw/zinc/66/23/58/1137662358.db2.gz AKSXCLDMLNUGMB-UHFFFAOYSA-N 0 1 334.366 3.651 20 10 EHCDMN Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc(F)c(F)c1O ZINC000876818040 1137662576 /nfs/dbraw/zinc/66/25/76/1137662576.db2.gz KPJKKBRIWOARMY-UHFFFAOYSA-N 0 1 332.350 3.939 20 10 EHCDMN C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825944726 1137671955 /nfs/dbraw/zinc/67/19/55/1137671955.db2.gz ZWJUVLJGWITUHZ-QFYYESIMSA-N 0 1 334.213 3.767 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000826130740 1137762153 /nfs/dbraw/zinc/76/21/53/1137762153.db2.gz MAPMGZGUMDHYJZ-GFCCVEGCSA-N 0 1 342.302 3.778 20 10 EHCDMN Oc1c(Br)cc(Cl)cc1CNc1ccn(CCF)n1 ZINC000883199733 1137848229 /nfs/dbraw/zinc/84/82/29/1137848229.db2.gz NSVSHPGIRRRTBZ-UHFFFAOYSA-N 0 1 348.603 3.586 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(Br)cc1[O-] ZINC000120219201 1137947446 /nfs/dbraw/zinc/94/74/46/1137947446.db2.gz ATFNTYVDEJSQGQ-JQWIXIFHSA-N 0 1 328.250 3.763 20 10 EHCDMN CCOc1cccc(CN(C)Cc2cnn(-c3ccccc3)c2)c1O ZINC000121349112 1137957064 /nfs/dbraw/zinc/95/70/64/1137957064.db2.gz CGSWRASHJQUGNH-UHFFFAOYSA-N 0 1 337.423 3.609 20 10 EHCDMN COc1ccc(CNCc2ccc3c(c2)CCCN3C)c(F)c1OC ZINC000885954236 1138028052 /nfs/dbraw/zinc/02/80/52/1138028052.db2.gz RNFNSJQXNZGOMD-UHFFFAOYSA-N 0 1 344.430 3.515 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886300407 1138065538 /nfs/dbraw/zinc/06/55/38/1138065538.db2.gz HJWRTXVLDPBBIB-INIZCTEOSA-N 0 1 339.863 3.501 20 10 EHCDMN CC[N@H+](CCc1nccs1)Cc1cc(Br)ccc1[O-] ZINC000093764390 1138240669 /nfs/dbraw/zinc/24/06/69/1138240669.db2.gz PRXLXYNWISNICZ-UHFFFAOYSA-N 0 1 341.274 3.676 20 10 EHCDMN CC[N@@H+](CCc1nccs1)Cc1cc(Br)ccc1[O-] ZINC000093764390 1138240671 /nfs/dbraw/zinc/24/06/71/1138240671.db2.gz PRXLXYNWISNICZ-UHFFFAOYSA-N 0 1 341.274 3.676 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1[O-] ZINC000181842212 1139936103 /nfs/dbraw/zinc/93/61/03/1139936103.db2.gz KRCMBEOLIBAVQE-LLVKDONJSA-N 0 1 346.358 3.801 20 10 EHCDMN C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)ccc1[O-] ZINC000184966699 1140128325 /nfs/dbraw/zinc/12/83/25/1140128325.db2.gz QSPQSFPGGOTBPJ-LBPRGKRZSA-N 0 1 348.830 3.594 20 10 EHCDMN C[C@H](NCc1cccnc1OCC(F)(F)F)c1cc(F)ccc1O ZINC000184985003 1140129563 /nfs/dbraw/zinc/12/95/63/1140129563.db2.gz MLMKNGMUNGPJBL-JTQLQIEISA-N 0 1 344.308 3.718 20 10 EHCDMN Cc1cc(O)c(CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1C ZINC000187518402 1140259400 /nfs/dbraw/zinc/25/94/00/1140259400.db2.gz JZZQJORPWCYAQE-FQEVSTJZSA-N 0 1 339.414 3.761 20 10 EHCDMN COc1cccc(CNCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000190986744 1140429125 /nfs/dbraw/zinc/42/91/25/1140429125.db2.gz IHBDGVXNQLGOFW-UHFFFAOYSA-N 0 1 325.456 3.616 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000269326629 1141094117 /nfs/dbraw/zinc/09/41/17/1141094117.db2.gz LBFBEKCZQFTEAU-GFCCVEGCSA-N 0 1 327.877 3.580 20 10 EHCDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000829718623 601816168 /nfs/dbraw/zinc/81/61/68/601816168.db2.gz MCMVOFSEKKZFRW-UHFFFAOYSA-N 0 1 330.403 3.612 20 10 EHCDMN C/C(=C\C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000833382241 605076539 /nfs/dbraw/zinc/07/65/39/605076539.db2.gz IANFDQJBKANCNS-STTHAQSSSA-N 0 1 325.408 3.986 20 10 EHCDMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)ccc1N1CCCCC1 ZINC001605166251 972867765 /nfs/dbraw/zinc/86/77/65/972867765.db2.gz ZVLVGOVKHSZJSM-FUHWJXTLSA-N 0 1 330.472 3.670 20 10 EHCDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1cc(Cl)c(C)cc1O)CC1CC1 ZINC001594788184 981833315 /nfs/dbraw/zinc/83/33/15/981833315.db2.gz UFKAHNVMGPBHHX-QGZVFWFLSA-N 0 1 325.836 3.819 20 10 EHCDMN CCCCC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(=O)[O-] ZINC001595683668 982173159 /nfs/dbraw/zinc/17/31/59/982173159.db2.gz WSZCSPUWLUHSER-CYBMUJFWSA-N 0 1 344.249 3.586 20 10 EHCDMN CCC[NH+](CCC)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728194272 1014940909 /nfs/dbraw/zinc/94/09/09/1014940909.db2.gz IQQDOYQWGPHQTI-UHFFFAOYSA-N 0 1 327.424 3.951 20 10 EHCDMN C[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccc(N2CCCC2)cc1 ZINC001598519275 992659407 /nfs/dbraw/zinc/65/94/07/992659407.db2.gz NFWNYNBZZVOARC-UHFFFAOYSA-N 0 1 330.453 3.679 20 10 EHCDMN CC1=CCC[C@H](C)[C@H]1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001594113637 998227857 /nfs/dbraw/zinc/22/78/57/998227857.db2.gz OQHYMBKQOBYSFS-BBRMVZONSA-N 0 1 337.847 3.925 20 10 EHCDMN Cn1ccc2c1cccc2NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434087 1020005257 /nfs/dbraw/zinc/00/52/57/1020005257.db2.gz AWZMVTUKKAOODP-UHFFFAOYSA-N 0 1 334.467 3.542 20 10 EHCDMN Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c2cc[nH]c21 ZINC001167436922 1020146661 /nfs/dbraw/zinc/14/66/61/1020146661.db2.gz HFGWTWYIAINJOL-UHFFFAOYSA-N 0 1 334.467 3.840 20 10 EHCDMN CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000295972654 1021225009 /nfs/dbraw/zinc/22/50/09/1021225009.db2.gz NZFKLVPOUHNKJN-GHMZBOCLSA-N 0 1 338.249 3.783 20 10 EHCDMN CC1(C)CC2(CC([NH2+]Cc3c([O-])cccc3Br)C2)CO1 ZINC000897970192 1033245308 /nfs/dbraw/zinc/24/53/08/1033245308.db2.gz HDXZKXJAEGQXLS-UHFFFAOYSA-N 0 1 340.261 3.592 20 10 EHCDMN CC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1nnc2n1CCCCC2 ZINC000273466100 1027441409 /nfs/dbraw/zinc/44/14/09/1027441409.db2.gz DTFLBYRAIUXJRR-CZUORRHYSA-N 0 1 344.459 3.521 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000273505230 1027461889 /nfs/dbraw/zinc/46/18/89/1027461889.db2.gz QXEKUNJLIGSVFS-WOPDTQHZSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000273598732 1027513697 /nfs/dbraw/zinc/51/36/97/1027513697.db2.gz RMVSFHPBEGIPQO-NHYWBVRUSA-N 0 1 336.229 3.539 20 10 EHCDMN Oc1cccc2c1CN(Cc1ccc(F)c(OC(F)(F)F)c1)CC2 ZINC001143447546 1027701536 /nfs/dbraw/zinc/70/15/36/1027701536.db2.gz XALIFEGNBNHAJU-UHFFFAOYSA-N 0 1 341.304 3.988 20 10 EHCDMN COc1ccc(O)c(CN2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000271751992 1029153399 /nfs/dbraw/zinc/15/33/99/1029153399.db2.gz VSAVNNPTXWUFGX-SFHVURJKSA-N 0 1 337.423 3.625 20 10 EHCDMN CC(C)(C)n1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000160207705 1030599808 /nfs/dbraw/zinc/59/98/08/1030599808.db2.gz VHYIVXMQAKJONW-SFHVURJKSA-N 0 1 343.471 3.525 20 10 EHCDMN C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000527939059 1031464610 /nfs/dbraw/zinc/46/46/10/1031464610.db2.gz MPSFATYOAWGOAD-RNCFNFMXSA-N 0 1 333.741 3.696 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1cc(Br)ccc1[O-] ZINC000042812459 1031569740 /nfs/dbraw/zinc/56/97/40/1031569740.db2.gz HHQNEAMILGALLB-TZMCWYRMSA-N 0 1 328.250 3.765 20 10 EHCDMN C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc2ccccc2c1[O-] ZINC000528015441 1031632565 /nfs/dbraw/zinc/63/25/65/1031632565.db2.gz LZDHQUSPNQSJOC-HNNXBMFYSA-N 0 1 340.467 3.845 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cc(Br)ccc1[O-] ZINC000229553561 1034246656 /nfs/dbraw/zinc/24/66/56/1034246656.db2.gz FXKBZFGQYSKUTC-IAQYHMDHSA-N 0 1 341.293 3.678 20 10 EHCDMN CCOCc1cc(CNCc2cnn(CC3CCC3)c2)ccc1OC ZINC000897433449 1036912051 /nfs/dbraw/zinc/91/20/51/1036912051.db2.gz WKEYTJURUOMRPX-UHFFFAOYSA-N 0 1 343.471 3.518 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Br)ccc1[O-] ZINC000761498137 1037066515 /nfs/dbraw/zinc/06/65/15/1037066515.db2.gz GPMXFECNMGJUPT-TZMCWYRMSA-N 0 1 340.217 3.522 20 10 EHCDMN CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185150327 1039029657 /nfs/dbraw/zinc/02/96/57/1039029657.db2.gz DUUOXQAPVGJBGF-CQSZACIVSA-N 0 1 334.419 3.756 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123713723 1040928352 /nfs/dbraw/zinc/92/83/52/1040928352.db2.gz BPFAMPGZEQBYHC-JQWIXIFHSA-N 0 1 344.160 3.587 20 10 EHCDMN Cc1cc(CN2CCC(F)(F)[C@@H](C)C2)c(O)cc1Br ZINC001250120658 1133837888 /nfs/dbraw/zinc/83/78/88/1133837888.db2.gz LTAVJPJTXVQMCE-JTQLQIEISA-N 0 1 334.204 3.940 20 10 EHCDMN Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc3ccccc3c2[O-])cc1C ZINC001659389427 1126263449 /nfs/dbraw/zinc/26/34/49/1126263449.db2.gz OYEYQQIAKLXLKD-HXUWFJFHSA-N 0 1 335.447 3.855 20 10 EHCDMN COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185097939 1126758121 /nfs/dbraw/zinc/75/81/21/1126758121.db2.gz AVRRKFFRKIKQCJ-KUHUBIRLSA-N 0 1 337.419 3.938 20 10 EHCDMN CC[C@@H]1CCCCN1C(=O)CN(C)Cc1ccc(N(CC)CC)cc1 ZINC000764818513 1127538272 /nfs/dbraw/zinc/53/82/72/1127538272.db2.gz GJYDAMCSWNXSDT-LJQANCHMSA-N 0 1 345.531 3.756 20 10 EHCDMN COc1cc(CN2CCN([C@H](C)c3ccsc3)CC2)c(O)cc1C ZINC000764956221 1127557572 /nfs/dbraw/zinc/55/75/72/1127557572.db2.gz RLANGHALSRPIPU-OAHLLOKOSA-N 0 1 346.496 3.650 20 10 EHCDMN COC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(F)c(F)c1 ZINC000186225738 1128349892 /nfs/dbraw/zinc/34/98/92/1128349892.db2.gz YCYQLYZTDWJRLX-GTNSWQLSSA-N 0 1 337.366 3.717 20 10 EHCDMN C[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccc(N(C)C)cc1 ZINC000131555940 1128400607 /nfs/dbraw/zinc/40/06/07/1128400607.db2.gz IUZWETFKEZBFPQ-CYBMUJFWSA-N 0 1 328.847 3.905 20 10 EHCDMN COc1ccc(O)c([C@H](C)N[C@@H]2CCCc3cn(C(C)C)nc32)c1 ZINC000765819906 1128475594 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C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000179764057 1123851463 /nfs/dbraw/zinc/85/14/63/1123851463.db2.gz LXXUIHIBHHIZQY-UZLBHIALSA-N 0 1 340.467 3.872 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000238076977 1123969775 /nfs/dbraw/zinc/96/97/75/1123969775.db2.gz ZROYTZYSAWMWBQ-SFHVURJKSA-N 0 1 330.859 3.800 20 10 EHCDMN C[N@@H+](CCOc1ccc(Br)cc1)Cc1ccccc1O ZINC000731842839 1130850729 /nfs/dbraw/zinc/85/07/29/1130850729.db2.gz JJKQCWARZOXOQN-UHFFFAOYSA-N 0 1 336.229 3.666 20 10 EHCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)N1CCc2ccccc2C1 ZINC000733322908 1131024744 /nfs/dbraw/zinc/02/47/44/1131024744.db2.gz XBRCYJWHQABKTO-UHFFFAOYSA-N 0 1 344.886 3.972 20 10 EHCDMN CC[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H]1CCOC1 ZINC000738082844 1131460314 /nfs/dbraw/zinc/46/03/14/1131460314.db2.gz UBMOKTZNYZHUHI-CQSZACIVSA-N 0 1 329.440 3.876 20 10 EHCDMN CC[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H]1CCOC1 ZINC000738082844 1131460316 /nfs/dbraw/zinc/46/03/16/1131460316.db2.gz 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Oc1ccc(F)cc1CNCc1cc(C(F)(F)F)cc(Cl)n1 ZINC001183670867 1133839430 /nfs/dbraw/zinc/83/94/30/1133839430.db2.gz DRHUDIKKSSPVOX-UHFFFAOYSA-N 0 1 334.700 3.888 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001183960136 1133881513 /nfs/dbraw/zinc/88/15/13/1133881513.db2.gz WDQHVNNIYXZJKX-ZDUSSCGKSA-N 0 1 327.827 3.823 20 10 EHCDMN Cc1cccc(CNCc2ccc3c(c2)CCO3)c1Br ZINC000786823326 1133912428 /nfs/dbraw/zinc/91/24/28/1133912428.db2.gz NDKOZOIKTGCOTJ-UHFFFAOYSA-N 0 1 332.241 3.982 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C2CC2)C2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000774835404 1134036544 /nfs/dbraw/zinc/03/65/44/1134036544.db2.gz LGTGVCUCZMWVNV-UHFFFAOYSA-N 0 1 334.416 3.852 20 10 EHCDMN COc1cc(C)cc(CN2CCN(c3ccccc3F)C[C@@H]2C)c1O ZINC000788785237 1134174554 /nfs/dbraw/zinc/17/45/54/1134174554.db2.gz YAEJYKCCQQDPIH-HNNXBMFYSA-N 0 1 344.430 3.559 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001203648073 1134261894 /nfs/dbraw/zinc/26/18/94/1134261894.db2.gz 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COc1c([O-])c(C[N@H+]2CCC=C(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000793620059 1134973447 /nfs/dbraw/zinc/97/34/47/1134973447.db2.gz KFIGGIIVVPKOSS-UHFFFAOYSA-N 0 1 340.379 3.598 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000775522351 1135001504 /nfs/dbraw/zinc/00/15/04/1135001504.db2.gz NFAMMOLEDMYKOS-HOCLYGCPSA-N 0 1 339.863 3.815 20 10 EHCDMN O=C(Nc1ccc(F)c2cnccc12)c1cc(O)c(O)c(Cl)c1 ZINC001193625519 1135160602 /nfs/dbraw/zinc/16/06/02/1135160602.db2.gz PBIPOMNCKPANOO-UHFFFAOYSA-N 0 1 332.718 3.691 20 10 EHCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001193602768 1135164522 /nfs/dbraw/zinc/16/45/22/1135164522.db2.gz FPOCKKWWQOYLBP-CQSZACIVSA-N 0 1 345.826 3.846 20 10 EHCDMN CCc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)no1 ZINC000806293574 1135426297 /nfs/dbraw/zinc/42/62/97/1135426297.db2.gz VKNAQGFKFVGJDZ-UHFFFAOYSA-N 0 1 330.171 3.571 20 10 EHCDMN C[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775661735 1135437504 /nfs/dbraw/zinc/43/75/04/1135437504.db2.gz QTMAIVJKUBPBQV-QMMMGPOBSA-N 0 1 349.066 3.759 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000775695961 1135532035 /nfs/dbraw/zinc/53/20/35/1135532035.db2.gz FLGVMFMVHCBPKV-QGZVFWFLSA-N 0 1 335.806 3.667 20 10 EHCDMN Cc1cccc(CN(C)Cc2cc(Br)cc(C)c2O)n1 ZINC000775715206 1135558824 /nfs/dbraw/zinc/55/88/24/1135558824.db2.gz DQBBHJDGXBLEDD-UHFFFAOYSA-N 0 1 335.245 3.799 20 10 EHCDMN COc1ccc(O)c(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000775720948 1135570137 /nfs/dbraw/zinc/57/01/37/1135570137.db2.gz QQNGAMJQNMOMBK-HRAATJIYSA-N 0 1 341.451 3.980 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2n[nH]cc2c1 ZINC000807833792 1135579409 /nfs/dbraw/zinc/57/94/09/1135579409.db2.gz FLBHHCUORIBDHL-UHFFFAOYSA-N 0 1 336.178 3.505 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])s1 ZINC000807839359 1135581454 /nfs/dbraw/zinc/58/14/54/1135581454.db2.gz MDBMCNLQKUNXPJ-UHFFFAOYSA-N 0 1 347.179 3.599 20 10 EHCDMN CC(C)CCO[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839538 1135581567 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[O-]c1ccc(Cl)cc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809712308 1135876545 /nfs/dbraw/zinc/87/65/45/1135876545.db2.gz IYDCAJICJIRHPR-UHFFFAOYSA-N 0 1 342.620 3.804 20 10 EHCDMN CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229116 1135941415 /nfs/dbraw/zinc/94/14/15/1135941415.db2.gz SPDRPJTVNZAAAR-CMPLNLGQSA-N 0 1 345.283 3.765 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228493 1135941622 /nfs/dbraw/zinc/94/16/22/1135941622.db2.gz GPZSCUWBUJZOSE-CQSZACIVSA-N 0 1 325.334 3.750 20 10 EHCDMN CC[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236940 1135945997 /nfs/dbraw/zinc/94/59/97/1135945997.db2.gz CASIQOFOUNUKSV-OAHLLOKOSA-N 0 1 328.378 3.714 20 10 EHCDMN CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000810253857 1135948977 /nfs/dbraw/zinc/94/89/77/1135948977.db2.gz FOJGPFPAFXJXFD-NEPJUHHUSA-N 0 1 329.282 3.534 20 10 EHCDMN COc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])c(F)c1 ZINC000776248746 1136105679 /nfs/dbraw/zinc/10/56/79/1136105679.db2.gz NVDATPFOVUIDGM-UHFFFAOYSA-N 0 1 340.192 3.592 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811781521 1136134715 /nfs/dbraw/zinc/13/47/15/1136134715.db2.gz CZIKASCPWMLRJX-SFHVURJKSA-N 0 1 345.446 3.577 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811781521 1136134718 /nfs/dbraw/zinc/13/47/18/1136134718.db2.gz CZIKASCPWMLRJX-SFHVURJKSA-N 0 1 345.446 3.577 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000812736076 1136239998 /nfs/dbraw/zinc/23/99/98/1136239998.db2.gz LAVQSYCQJBRWQK-KGLIPLIRSA-N 0 1 332.394 3.848 20 10 EHCDMN Cc1ccc(O)c(CN[C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000850402785 1136250226 /nfs/dbraw/zinc/25/02/26/1136250226.db2.gz XAATZYLNEODGQJ-CQSZACIVSA-N 0 1 326.223 3.831 20 10 EHCDMN CCN(C)c1ccc([C@@H](C)NCc2cnc(C(F)(F)F)nc2)cc1 ZINC000850485961 1136268576 /nfs/dbraw/zinc/26/85/76/1136268576.db2.gz OZPJMLQYKJSRQZ-GFCCVEGCSA-N 0 1 338.377 3.802 20 10 EHCDMN COc1ccc(N2CC[C@H](N[C@H](C)c3nc(C)sc3C)C2)cc1 ZINC000850487758 1136269035 /nfs/dbraw/zinc/26/90/35/1136269035.db2.gz JGCHURIBVOCOOI-DOMZBBRYSA-N 0 1 331.485 3.698 20 10 EHCDMN C[C@H](NC(=O)CN(C)Cc1ccccc1O)c1cccc2ccccc21 ZINC000109772844 1136339898 /nfs/dbraw/zinc/33/98/98/1136339898.db2.gz QNIJGICURXUMAP-INIZCTEOSA-N 0 1 348.446 3.855 20 10 EHCDMN C[C@]1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1(F)F ZINC000852579797 1136467919 /nfs/dbraw/zinc/46/79/19/1136467919.db2.gz CCYNEGCOPLYPGD-GFCCVEGCSA-N 0 1 339.169 3.544 20 10 EHCDMN CC[C@@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000111236234 1136525203 /nfs/dbraw/zinc/52/52/03/1136525203.db2.gz PWURFURYDQFMOT-QGZVFWFLSA-N 0 1 346.858 3.745 20 10 EHCDMN CC(=O)Nc1cccc2c1CCN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC000815021791 1136538378 /nfs/dbraw/zinc/53/83/78/1136538378.db2.gz PNAYCZSQNTYKGS-UHFFFAOYSA-N 0 1 337.467 3.578 20 10 EHCDMN Cc1ccc(NC(=O)CN(C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816480955 1136723110 /nfs/dbraw/zinc/72/31/10/1136723110.db2.gz CJIHFMVHEJOVOW-UHFFFAOYSA-N 0 1 336.794 3.564 20 10 EHCDMN CCC(CC)C(=O)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816487635 1136724118 /nfs/dbraw/zinc/72/41/18/1136724118.db2.gz SYXJVEMTEPXGOS-UHFFFAOYSA-N 0 1 340.467 3.626 20 10 EHCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000816488515 1136724358 /nfs/dbraw/zinc/72/43/58/1136724358.db2.gz WGTCYKSFXQXXSM-KRWDZBQOSA-N 0 1 339.769 3.897 20 10 EHCDMN Cc1nc2ccccc2n1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816530446 1136730244 /nfs/dbraw/zinc/73/02/44/1136730244.db2.gz JCLNKAAISKTYBO-UHFFFAOYSA-N 0 1 331.419 3.993 20 10 EHCDMN [O-]c1c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc2ccccc12 ZINC000816592385 1136735551 /nfs/dbraw/zinc/73/55/51/1136735551.db2.gz IILAFPLJMWYKOY-YOEHRIQHSA-N 0 1 339.357 3.681 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc2ccccc12 ZINC000816592385 1136735552 /nfs/dbraw/zinc/73/55/52/1136735552.db2.gz IILAFPLJMWYKOY-YOEHRIQHSA-N 0 1 339.357 3.681 20 10 EHCDMN CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816559550 1136736651 /nfs/dbraw/zinc/73/66/51/1136736651.db2.gz NJXIWTUFEXDGMJ-UHFFFAOYSA-N 0 1 342.439 3.502 20 10 EHCDMN COc1cccc(CNCc2ccc(Sc3ccccn3)o2)c1O ZINC000816610343 1136741203 /nfs/dbraw/zinc/74/12/03/1136741203.db2.gz HPDJIQNYZWFLES-UHFFFAOYSA-N 0 1 342.420 3.830 20 10 EHCDMN C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2[O-])[C@@H]1C ZINC000816647241 1136744365 /nfs/dbraw/zinc/74/43/65/1136744365.db2.gz PWBGWSYBYGWXOQ-HTQZYQBOSA-N 0 1 349.066 3.757 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])[C@@H]1C ZINC000816647241 1136744368 /nfs/dbraw/zinc/74/43/68/1136744368.db2.gz PWBGWSYBYGWXOQ-HTQZYQBOSA-N 0 1 349.066 3.757 20 10 EHCDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000817880751 1136843508 /nfs/dbraw/zinc/84/35/08/1136843508.db2.gz GCNRIRHJDGPMNU-YOEHRIQHSA-N 0 1 325.408 3.744 20 10 EHCDMN CC[C@H](NC[C@]1(COC)CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817974650 1136853833 /nfs/dbraw/zinc/85/38/33/1136853833.db2.gz NBSCMZSFHISVGK-HOCLYGCPSA-N 0 1 347.286 3.508 20 10 EHCDMN COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000818221253 1136867529 /nfs/dbraw/zinc/86/75/29/1136867529.db2.gz PVXFLCUAUANODE-CQSZACIVSA-N 0 1 346.858 3.670 20 10 EHCDMN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000857864751 1136915172 /nfs/dbraw/zinc/91/51/72/1136915172.db2.gz HUTREUZMBBDBSF-RHSMWYFYSA-N 0 1 341.455 3.610 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013538 1136931154 /nfs/dbraw/zinc/93/11/54/1136931154.db2.gz FFQHJUZTMQOVTC-KRWDZBQOSA-N 0 1 344.842 3.971 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013538 1136931156 /nfs/dbraw/zinc/93/11/56/1136931156.db2.gz FFQHJUZTMQOVTC-KRWDZBQOSA-N 0 1 344.842 3.971 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccns1 ZINC000858317078 1136958141 /nfs/dbraw/zinc/95/81/41/1136958141.db2.gz GTHVTPUZLWSLTK-CYBMUJFWSA-N 0 1 346.456 3.892 20 10 EHCDMN Cc1cc(CN[C@@H](C)c2ccc(=O)[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000858542675 1136977271 /nfs/dbraw/zinc/97/72/71/1136977271.db2.gz MZNCODQJMVNDCG-HNNXBMFYSA-N 0 1 336.439 3.749 20 10 EHCDMN COC1CCN(c2ccc(CN[C@@H](C)c3ccns3)cc2)CC1 ZINC000860061033 1137042923 /nfs/dbraw/zinc/04/29/23/1137042923.db2.gz FTVIISBDHPWAND-AWEZNQCLSA-N 0 1 331.485 3.609 20 10 EHCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000824690654 1137148361 /nfs/dbraw/zinc/14/83/61/1137148361.db2.gz KIZQCUYORLRCLI-OAHLLOKOSA-N 0 1 326.223 3.864 20 10 EHCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000824690654 1137148362 /nfs/dbraw/zinc/14/83/62/1137148362.db2.gz KIZQCUYORLRCLI-OAHLLOKOSA-N 0 1 326.223 3.864 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862540716 1137149124 /nfs/dbraw/zinc/14/91/24/1137149124.db2.gz KMQNMEWTGNRIRG-ZDUSSCGKSA-N 0 1 348.240 3.850 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862540716 1137149126 /nfs/dbraw/zinc/14/91/26/1137149126.db2.gz KMQNMEWTGNRIRG-ZDUSSCGKSA-N 0 1 348.240 3.850 20 10 EHCDMN Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825037846 1137162793 /nfs/dbraw/zinc/16/27/93/1137162793.db2.gz JUYVAQIFVBCAOE-OAHLLOKOSA-N 0 1 348.240 3.995 20 10 EHCDMN COc1ncc(CN(C)Cc2ccc(N3CCCC3)cc2)cc1C ZINC001137004661 1137169100 /nfs/dbraw/zinc/16/91/00/1137169100.db2.gz IJRXFEBJOIUDNM-UHFFFAOYSA-N 0 1 325.456 3.631 20 10 EHCDMN COc1cc(C)ccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825353949 1137174386 /nfs/dbraw/zinc/17/43/86/1137174386.db2.gz QBWINEMMXGRCSD-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000825412402 1137177341 /nfs/dbraw/zinc/17/73/41/1137177341.db2.gz JDHDRJZWGKJKGF-LSDHHAIUSA-N 0 1 342.277 3.838 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000863739004 1137201672 /nfs/dbraw/zinc/20/16/72/1137201672.db2.gz GPGXBAUQQAFJDU-QFBILLFUSA-N 0 1 332.488 3.856 20 10 EHCDMN OCCCSc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864027400 1137212457 /nfs/dbraw/zinc/21/24/57/1137212457.db2.gz BYLMPYKHIWKLIR-UHFFFAOYSA-N 0 1 325.380 3.757 20 10 EHCDMN CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000794834185 1137271335 /nfs/dbraw/zinc/27/13/35/1137271335.db2.gz XUDUFWZNQFGMNG-NEPJUHHUSA-N 0 1 329.282 3.536 20 10 EHCDMN COc1cccc(O)c1CNCc1ccccc1C(=O)OC(C)(C)C ZINC000865728821 1137307329 /nfs/dbraw/zinc/30/73/29/1137307329.db2.gz CCINHHGLKJNFLQ-UHFFFAOYSA-N 0 1 343.423 3.646 20 10 EHCDMN C[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000846206396 1137339321 /nfs/dbraw/zinc/33/93/21/1137339321.db2.gz YJBALXRPBUCXQU-GHMZBOCLSA-N 0 1 328.250 3.620 20 10 EHCDMN CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1cc(Br)ccc1[O-] ZINC000866474199 1137357904 /nfs/dbraw/zinc/35/79/04/1137357904.db2.gz UPWJOWHVCSNUFO-CYBMUJFWSA-N 0 1 339.208 3.930 20 10 EHCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc[nH]1 ZINC000773120534 1137466753 /nfs/dbraw/zinc/46/67/53/1137466753.db2.gz PKVKPOGSWVZZGZ-UONOGXRCSA-N 0 1 333.863 3.917 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1Cl ZINC000825892393 1137659307 /nfs/dbraw/zinc/65/93/07/1137659307.db2.gz DAQIGLLELSPKSC-JOCHJYFZSA-N 0 1 337.872 3.522 20 10 EHCDMN COCC(C)(C)CCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825935505 1137670761 /nfs/dbraw/zinc/67/07/61/1137670761.db2.gz WFIMIDVUEFXZCZ-UHFFFAOYSA-N 0 1 330.266 3.697 20 10 EHCDMN CC[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000825943290 1137671899 /nfs/dbraw/zinc/67/18/99/1137671899.db2.gz BMQNQUQTOBUIPG-CQSZACIVSA-N 0 1 342.277 3.934 20 10 EHCDMN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1nc(C2CCCCC2)no1 ZINC000877470574 1137677229 /nfs/dbraw/zinc/67/72/29/1137677229.db2.gz JSNIQIUZSZZKLQ-JTQLQIEISA-N 0 1 337.370 3.952 20 10 EHCDMN CSC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825991755 1137684388 /nfs/dbraw/zinc/68/43/88/1137684388.db2.gz MIDAQLSVYFBTJP-NSHDSACASA-N 0 1 330.291 3.730 20 10 EHCDMN CSC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825991755 1137684389 /nfs/dbraw/zinc/68/43/89/1137684389.db2.gz MIDAQLSVYFBTJP-NSHDSACASA-N 0 1 330.291 3.730 20 10 EHCDMN Cc1cc([O-])c(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1Cl ZINC000826036624 1137711604 /nfs/dbraw/zinc/71/16/04/1137711604.db2.gz NFFPTHVLYLZYEZ-UHFFFAOYSA-N 0 1 344.842 3.618 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1Cl ZINC000826036624 1137711605 /nfs/dbraw/zinc/71/16/05/1137711605.db2.gz NFFPTHVLYLZYEZ-UHFFFAOYSA-N 0 1 344.842 3.618 20 10 EHCDMN CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000826062619 1137723609 /nfs/dbraw/zinc/72/36/09/1137723609.db2.gz UWXSVYKZEGFQRV-WBMJQRKESA-N 0 1 342.277 3.696 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1cc(Cl)ccc1[O-] ZINC000886771264 1138137299 /nfs/dbraw/zinc/13/72/99/1138137299.db2.gz FMKLEFIKCHWQHH-BPTYRPCHSA-N 0 1 339.863 3.669 20 10 EHCDMN CC(C)(C)OC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000092454018 1138228337 /nfs/dbraw/zinc/22/83/37/1138228337.db2.gz JHXANBZLTQYMPN-UHFFFAOYSA-N 0 1 342.277 3.934 20 10 EHCDMN C[C@H](NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1nncn1C ZINC000264239011 1138451495 /nfs/dbraw/zinc/45/14/95/1138451495.db2.gz FLDCGUCYQNXXDI-ZDUSSCGKSA-N 0 1 344.503 3.967 20 10 EHCDMN CCN(CC)c1ccc(CN(C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000179766509 1139780128 /nfs/dbraw/zinc/78/01/28/1139780128.db2.gz MIQNYVGGHYBUCO-DEOSSOPVSA-N 0 1 344.524 3.902 20 10 EHCDMN CCN(CC)c1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000182104123 1139950675 /nfs/dbraw/zinc/95/06/75/1139950675.db2.gz ZCBZJEIBJMGYRT-HYBUGGRVSA-N 0 1 344.524 3.742 20 10 EHCDMN C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1[O-] ZINC000184984003 1140129031 /nfs/dbraw/zinc/12/90/31/1140129031.db2.gz WABUOBQSJKWECF-ZDUSSCGKSA-N 0 1 331.847 3.892 20 10 EHCDMN Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2[O-])cnn1C ZINC000185002217 1140130542 /nfs/dbraw/zinc/13/05/42/1140130542.db2.gz FUKJFQIUKKVKQJ-ZJUUUORDSA-N 0 1 338.249 3.608 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000185782111 1140169057 /nfs/dbraw/zinc/16/90/57/1140169057.db2.gz KZYVNMLTZNIOMT-MNOVXSKESA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000186031437 1140183349 /nfs/dbraw/zinc/18/33/49/1140183349.db2.gz GCBAVVBHKNTMPD-LLVKDONJSA-N 0 1 338.860 3.578 20 10 EHCDMN C[C@H]([NH2+]CCCc1ccccn1)c1ccc(Br)cc1[O-] ZINC000186140942 1140188419 /nfs/dbraw/zinc/18/84/19/1140188419.db2.gz UGBMZVDDYYXTDT-LBPRGKRZSA-N 0 1 335.245 3.833 20 10 EHCDMN CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1nc(C2CC2)no1 ZINC000187783092 1140271064 /nfs/dbraw/zinc/27/10/64/1140271064.db2.gz JPQOHIDZKDHBAQ-OTYXRUKQSA-N 0 1 337.370 3.979 20 10 EHCDMN C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1O ZINC000187885881 1140275170 /nfs/dbraw/zinc/27/51/70/1140275170.db2.gz RKJBKGXOOCYZST-SNVBAGLBSA-N 0 1 332.350 3.736 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc2ccccc2c1[O-] ZINC000192814092 1140552007 /nfs/dbraw/zinc/55/20/07/1140552007.db2.gz PUQIYUOUXNOIFP-WBVHZDCISA-N 0 1 348.450 3.655 20 10 EHCDMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271225212 1141328763 /nfs/dbraw/zinc/32/87/63/1141328763.db2.gz QNUCHOPFKYYBGP-SHACYNPGSA-N 0 1 348.487 3.822 20 10 EHCDMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])Cc1ccccc1O ZINC000737494582 600142964 /nfs/dbraw/zinc/14/29/64/600142964.db2.gz WCDVNBBBMCWRRG-UHFFFAOYSA-N 0 1 327.405 3.937 20 10 EHCDMN O=C([O-])C[N@H+](C/C=C/c1ccccc1)Cc1cc(Cl)ccc1O ZINC000739783835 600506644 /nfs/dbraw/zinc/50/66/44/600506644.db2.gz OGVRHLPFVKRMFY-QPJJXVBHSA-N 0 1 331.799 3.646 20 10 EHCDMN CCOc1ccc(O)c(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000833662944 604537393 /nfs/dbraw/zinc/53/73/93/604537393.db2.gz NYHCGVMUHGDIJF-HNNXBMFYSA-N 0 1 343.423 3.514 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Br)ccc1[O-] ZINC000120212374 1014744327 /nfs/dbraw/zinc/74/43/27/1014744327.db2.gz UJOUBPDWXMWJIB-PWSUYJOCSA-N 0 1 328.250 3.763 20 10 EHCDMN C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CCCC1 ZINC000728194356 1014939807 /nfs/dbraw/zinc/93/98/07/1014939807.db2.gz LIJFCYGCDYSWEJ-UHFFFAOYSA-N 0 1 325.408 3.703 20 10 EHCDMN CC[C@@H]1CCC[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728195200 1014940361 /nfs/dbraw/zinc/94/03/61/1014940361.db2.gz CRDFURFAWULWNV-OAHLLOKOSA-N 0 1 325.408 3.703 20 10 EHCDMN C[C@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001594346013 999310949 /nfs/dbraw/zinc/31/09/49/999310949.db2.gz KQAADAMZSOMEGY-QWHCGFSZSA-N 0 1 325.836 3.759 20 10 EHCDMN COc1cc(Cl)cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1O ZINC000325635931 1018116213 /nfs/dbraw/zinc/11/62/13/1018116213.db2.gz YCUZLQAGUHYHLP-QGZVFWFLSA-N 0 1 346.858 3.543 20 10 EHCDMN COc1cc(Cl)cc(CN2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000325635931 1018116235 /nfs/dbraw/zinc/11/62/35/1018116235.db2.gz YCUZLQAGUHYHLP-QGZVFWFLSA-N 0 1 346.858 3.543 20 10 EHCDMN Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000897576782 1032817070 /nfs/dbraw/zinc/81/70/70/1032817070.db2.gz JKJGGCSUNVJVSW-ZDUSSCGKSA-N 0 1 335.835 3.500 20 10 EHCDMN Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC000897576782 1032817081 /nfs/dbraw/zinc/81/70/81/1032817081.db2.gz JKJGGCSUNVJVSW-ZDUSSCGKSA-N 0 1 335.835 3.500 20 10 EHCDMN Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC000897576782 1032817096 /nfs/dbraw/zinc/81/70/96/1032817096.db2.gz JKJGGCSUNVJVSW-ZDUSSCGKSA-N 0 1 335.835 3.500 20 10 EHCDMN COc1cc(C)cc(CN[C@H](COCC(C)C)c2ccco2)c1O ZINC000894210787 1019332830 /nfs/dbraw/zinc/33/28/30/1019332830.db2.gz GXHVWIHEFJJZII-MRXNPFEDSA-N 0 1 333.428 3.806 20 10 EHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC12CCOCC2 ZINC000894571374 1022572385 /nfs/dbraw/zinc/57/23/85/1022572385.db2.gz PJDADBKUSBCRKT-UHFFFAOYSA-N 0 1 346.652 3.563 20 10 EHCDMN COc1cc(C)cc(CNCc2c(F)cccc2N2CCCC2)c1O ZINC000894738600 1022833664 /nfs/dbraw/zinc/83/36/64/1022833664.db2.gz WLBCYAHURYODBO-UHFFFAOYSA-N 0 1 344.430 3.738 20 10 EHCDMN Cc1nc([C@H](C)NCc2ccc(N(C)Cc3cccs3)cc2)n[nH]1 ZINC000894774105 1022869481 /nfs/dbraw/zinc/86/94/81/1022869481.db2.gz OEBUCWYSZMQSLT-ZDUSSCGKSA-N 0 1 341.484 3.662 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000157650833 1024991319 /nfs/dbraw/zinc/99/13/19/1024991319.db2.gz RBPGUFKWAFXRQL-ZXIHIIQKSA-N 0 1 340.261 3.763 20 10 EHCDMN COC1(OC)CC2(C[N@H+](Cc3c([O-])cccc3Cl)[C@@H]2C(C)C)C1 ZINC000895990475 1025034051 /nfs/dbraw/zinc/03/40/51/1025034051.db2.gz VMOZXAUVZDCBIC-MRXNPFEDSA-N 0 1 339.863 3.655 20 10 EHCDMN COC1(OC)CC2(C[N@@H+](Cc3c([O-])cccc3Cl)[C@@H]2C(C)C)C1 ZINC000895990475 1025034062 /nfs/dbraw/zinc/03/40/62/1025034062.db2.gz VMOZXAUVZDCBIC-MRXNPFEDSA-N 0 1 339.863 3.655 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc2ccccc21 ZINC000896280115 1025314012 /nfs/dbraw/zinc/31/40/12/1025314012.db2.gz LCDOJWOMDRXMNF-ZFWWWQNUSA-N 0 1 325.330 3.745 20 10 EHCDMN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000897045588 1026265368 /nfs/dbraw/zinc/26/53/68/1026265368.db2.gz SVAJHDJOFWOHLO-HOCLYGCPSA-N 0 1 337.423 3.917 20 10 EHCDMN COc1ccc(N2CCN(c3ccnc4cc(F)ccc43)CC2)cc1 ZINC000301303233 1026756604 /nfs/dbraw/zinc/75/66/04/1026756604.db2.gz YQHPKESGTYNBLM-UHFFFAOYSA-N 0 1 337.398 3.709 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000273505227 1027462082 /nfs/dbraw/zinc/46/20/82/1027462082.db2.gz QXEKUNJLIGSVFS-IJLUTSLNSA-N 0 1 328.250 3.620 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2c(F)cccc2OC(F)F)c1 ZINC000273540939 1027484240 /nfs/dbraw/zinc/48/42/40/1027484240.db2.gz YHYMZRVOABJLQL-JTQLQIEISA-N 0 1 341.329 3.992 20 10 EHCDMN Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2[O-])cnn1C ZINC000185002198 1027626607 /nfs/dbraw/zinc/62/66/07/1027626607.db2.gz FUKJFQIUKKVKQJ-NXEZZACHSA-N 0 1 338.249 3.608 20 10 EHCDMN CC(C)NC(=O)CC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179522367 1034476401 /nfs/dbraw/zinc/47/64/01/1034476401.db2.gz IYXRVPXCORBJDB-KRWDZBQOSA-N 0 1 340.467 3.870 20 10 EHCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000151876113 1037793787 /nfs/dbraw/zinc/79/37/87/1037793787.db2.gz FLHNLWOROHZWAY-UHFFFAOYSA-N 0 1 332.208 3.808 20 10 EHCDMN Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000073007265 1126969725 /nfs/dbraw/zinc/96/97/25/1126969725.db2.gz JCYAPZKKTQPIIK-QMMMGPOBSA-N 0 1 325.206 3.610 20 10 EHCDMN Cc1ncsc1C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000179427982 1123746637 /nfs/dbraw/zinc/74/66/37/1123746637.db2.gz MMSZYSUXURTLHU-UHFFFAOYSA-N 0 1 327.247 3.552 20 10 EHCDMN COc1cc([O-])c(C[N@@H+]2C[C@@H](C)CC23CC3)c(Br)c1 ZINC001237071754 1125261411 /nfs/dbraw/zinc/26/14/11/1125261411.db2.gz WZSHAGMYSFSJTM-JTQLQIEISA-N 0 1 326.234 3.538 20 10 EHCDMN COc1cc([O-])c(C[N@H+]2C[C@@H](C)CC23CC3)c(Br)c1 ZINC001237071754 1125261412 /nfs/dbraw/zinc/26/14/12/1125261412.db2.gz WZSHAGMYSFSJTM-JTQLQIEISA-N 0 1 326.234 3.538 20 10 EHCDMN CN(C)c1ccccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000265824957 1129247755 /nfs/dbraw/zinc/24/77/55/1129247755.db2.gz AESPUKAQVISQBY-UHFFFAOYSA-N 0 1 335.245 3.511 20 10 EHCDMN CO[C@@](C)(C[NH2+]Cc1cc(Cl)ccc1[O-])COCc1ccccc1 ZINC000702764291 1130247811 /nfs/dbraw/zinc/24/78/11/1130247811.db2.gz BGAGVRZRCYNAOU-IBGZPJMESA-N 0 1 349.858 3.757 20 10 EHCDMN CCCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccccc1O ZINC000727831094 1130598714 /nfs/dbraw/zinc/59/87/14/1130598714.db2.gz HXKTXPQTUQCWIA-UHFFFAOYSA-N 0 1 345.443 3.528 20 10 EHCDMN CCc1cc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n[nH]1 ZINC000732790966 1130956399 /nfs/dbraw/zinc/95/63/99/1130956399.db2.gz PDCLTYWMJSGTMR-UHFFFAOYSA-N 0 1 336.439 3.618 20 10 EHCDMN CCCN(Cc1ccccc1O)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000736673000 1131430842 /nfs/dbraw/zinc/43/08/42/1131430842.db2.gz SISKCIVWRNTAII-UHFFFAOYSA-N 0 1 335.407 3.835 20 10 EHCDMN FC(F)Oc1ccc(N2CCC[C@@H](NCc3nccs3)C2)cc1 ZINC000742385079 1131713718 /nfs/dbraw/zinc/71/37/18/1131713718.db2.gz RLTVFWJISQMVGV-GFCCVEGCSA-N 0 1 339.411 3.503 20 10 EHCDMN Cc1csc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)n1 ZINC000742376782 1131717450 /nfs/dbraw/zinc/71/74/50/1131717450.db2.gz HEVBTCDONYTVSJ-SFHVURJKSA-N 0 1 343.496 3.529 20 10 EHCDMN COc1ccc(N2CCN([C@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172717879 1131818512 /nfs/dbraw/zinc/81/85/12/1131818512.db2.gz ZBAAEJWFZMXNBI-IBGZPJMESA-N 0 1 342.870 3.638 20 10 EHCDMN C[C@@H]1CN(Cc2c(O)ccc3ccncc32)[C@@H](c2ccccc2)CO1 ZINC000743407035 1131917021 /nfs/dbraw/zinc/91/70/21/1131917021.db2.gz PTIVFUFBERTFNI-FOIQADDNSA-N 0 1 334.419 3.902 20 10 EHCDMN CN(CCC[NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC001177122777 1133029301 /nfs/dbraw/zinc/02/93/01/1133029301.db2.gz WPAJWDYLSLGWFW-UHFFFAOYSA-N 0 1 349.272 3.771 20 10 EHCDMN COc1ccc(C[N@H+](C)Cc2cc(Br)ccc2[O-])cc1 ZINC000768159141 1133102460 /nfs/dbraw/zinc/10/24/60/1133102460.db2.gz ANRFWSLUUWQMGK-UHFFFAOYSA-N 0 1 336.229 3.795 20 10 EHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2[O-])cc1 ZINC000768159141 1133102462 /nfs/dbraw/zinc/10/24/62/1133102462.db2.gz ANRFWSLUUWQMGK-UHFFFAOYSA-N 0 1 336.229 3.795 20 10 EHCDMN CC(C)O[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)C1(C)C ZINC001178430326 1133162753 /nfs/dbraw/zinc/16/27/53/1133162753.db2.gz FMDZRXHZNVOYCC-GJZGRUSLSA-N 0 1 342.277 3.836 20 10 EHCDMN COc1ccc2c(c1)C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000769121932 1133229109 /nfs/dbraw/zinc/22/91/09/1133229109.db2.gz SSVNXKWXXSCWPZ-UHFFFAOYSA-N 0 1 348.786 3.521 20 10 EHCDMN CCN(C)c1ccc(CN[C@@H](COC)c2ccc(F)c(F)c2)cc1 ZINC000773813510 1133244124 /nfs/dbraw/zinc/24/41/24/1133244124.db2.gz ULINBSTUWKXLFG-IBGZPJMESA-N 0 1 334.410 3.898 20 10 EHCDMN C[N@@H+](Cc1ccc(Cl)cc1[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001183632167 1133839058 /nfs/dbraw/zinc/83/90/58/1133839058.db2.gz YUPNEJNVUAREDT-INIZCTEOSA-N 0 1 346.814 3.503 20 10 EHCDMN C[N@H+](Cc1ccc(Cl)cc1[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001183632167 1133839066 /nfs/dbraw/zinc/83/90/66/1133839066.db2.gz YUPNEJNVUAREDT-INIZCTEOSA-N 0 1 346.814 3.503 20 10 EHCDMN CCOC(=O)[C@](C)(C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000787437634 1134003529 /nfs/dbraw/zinc/00/35/29/1134003529.db2.gz YGCPGBBHTCLNIH-LJQANCHMSA-N 0 1 347.842 3.656 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2c2ccccc2C)ccc1[N+](=O)[O-] ZINC000774831921 1134040089 /nfs/dbraw/zinc/04/00/89/1134040089.db2.gz FMGNDCUAZOHCIR-MRXNPFEDSA-N 0 1 342.395 3.955 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2ccccc2C)ccc1[N+](=O)[O-] ZINC000774831921 1134040093 /nfs/dbraw/zinc/04/00/93/1134040093.db2.gz FMGNDCUAZOHCIR-MRXNPFEDSA-N 0 1 342.395 3.955 20 10 EHCDMN O=C(Nc1ccc2cccc(Cl)c2n1)c1c(F)ccc(O)c1O ZINC000788308445 1134112146 /nfs/dbraw/zinc/11/21/46/1134112146.db2.gz IQKJVFJMEOKDQQ-UHFFFAOYSA-N 0 1 332.718 3.691 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774909416 1134117124 /nfs/dbraw/zinc/11/71/24/1134117124.db2.gz MSGKAZAFKGUFQB-IUODEOHRSA-N 0 1 346.383 3.875 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774909416 1134117125 /nfs/dbraw/zinc/11/71/25/1134117125.db2.gz MSGKAZAFKGUFQB-IUODEOHRSA-N 0 1 346.383 3.875 20 10 EHCDMN O=C(Nc1cccc(OC2CCCC2)c1)c1c(F)ccc(O)c1O ZINC000789954826 1134351093 /nfs/dbraw/zinc/35/10/93/1134351093.db2.gz QAWZCBCBIDBNDH-UHFFFAOYSA-N 0 1 331.343 3.811 20 10 EHCDMN O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1c(F)ccc(O)c1O ZINC000789987057 1134355298 /nfs/dbraw/zinc/35/52/98/1134355298.db2.gz PURMXUAHDSVHNU-UHFFFAOYSA-N 0 1 349.333 3.950 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000775139304 1134370689 /nfs/dbraw/zinc/37/06/89/1134370689.db2.gz YTZBZNJSYLGWMA-VIFPVBQESA-N 0 1 338.167 3.929 20 10 EHCDMN CC[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000790788453 1134465514 /nfs/dbraw/zinc/46/55/14/1134465514.db2.gz XRXCSTYSUZQQSM-CJNGLKHVSA-N 0 1 338.879 3.562 20 10 EHCDMN CC(C)(C)c1nnc(CNCc2c(O)ccc(Cl)c2F)s1 ZINC000790977467 1134495018 /nfs/dbraw/zinc/49/50/18/1134495018.db2.gz YFFQDWQOODTVEX-UHFFFAOYSA-N 0 1 329.828 3.624 20 10 EHCDMN CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000775371710 1134674918 /nfs/dbraw/zinc/67/49/18/1134674918.db2.gz POOCERIDLDHNFF-ZBFHGGJFSA-N 0 1 342.277 3.838 20 10 EHCDMN CC[C@]1(CO)CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793092399 1134849894 /nfs/dbraw/zinc/84/98/94/1134849894.db2.gz KPLCFMOAKZRWIY-KRWDZBQOSA-N 0 1 344.421 3.756 20 10 EHCDMN C[C@@H](N[C@H](C)c1ccc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000775487869 1134929917 /nfs/dbraw/zinc/92/99/17/1134929917.db2.gz FMKIGAZKYNTTHM-HUUCEWRRSA-N 0 1 345.874 3.983 20 10 EHCDMN CC[C@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775488866 1134935895 /nfs/dbraw/zinc/93/58/95/1134935895.db2.gz VTOBYLHVMVLNLS-WMZOPIPTSA-N 0 1 335.831 3.829 20 10 EHCDMN CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775489430 1134942677 /nfs/dbraw/zinc/94/26/77/1134942677.db2.gz ZWJYPMQDTIFWIG-YOEHRIQHSA-N 0 1 335.831 3.526 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1[O-] ZINC000775500513 1134968317 /nfs/dbraw/zinc/96/83/17/1134968317.db2.gz QHSKQPDCJLAONQ-DGCLKSJQSA-N 0 1 336.785 3.723 20 10 EHCDMN COc1ccc([C@@H](C)N(C)C(=O)c2cc(O)c(O)c(Cl)c2)cc1 ZINC001193613008 1135158613 /nfs/dbraw/zinc/15/86/13/1135158613.db2.gz WTZKKRJHJCBWLN-SNVBAGLBSA-N 0 1 335.787 3.593 20 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DVSLEAATFDCHIN-UHFFFAOYSA-N 0 1 327.815 3.863 20 10 EHCDMN CN(Cc1ccn(-c2ccccc2)n1)Cc1cccc(Cl)c1O ZINC000775657642 1135430571 /nfs/dbraw/zinc/43/05/71/1135430571.db2.gz DVSLEAATFDCHIN-UHFFFAOYSA-N 0 1 327.815 3.863 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CC=CCC1 ZINC000806547585 1135451992 /nfs/dbraw/zinc/45/19/92/1135451992.db2.gz LEPRYTNLVLJOLQ-JTQLQIEISA-N 0 1 329.227 3.855 20 10 EHCDMN Cc1cccc(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1O ZINC000775676086 1135498872 /nfs/dbraw/zinc/49/88/72/1135498872.db2.gz KUDCEFZTIJSINC-KRWDZBQOSA-N 0 1 349.377 3.876 20 10 EHCDMN CC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807839069 1135575489 /nfs/dbraw/zinc/57/54/89/1135575489.db2.gz HCKUCBVSTLZBKT-UHFFFAOYSA-N 0 1 338.190 3.832 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1occ2c1CCC2 ZINC000807838849 1135575521 /nfs/dbraw/zinc/57/55/21/1135575521.db2.gz ALMWPZUWRKLYQX-UHFFFAOYSA-N 0 1 326.179 3.711 20 10 EHCDMN CO[C@H]1CCC[C@H](CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839098 1135575603 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ZINC000809713150 1135876374 /nfs/dbraw/zinc/87/63/74/1135876374.db2.gz JUFQHTGFWKSILT-UHFFFAOYSA-N 0 1 346.224 3.720 20 10 EHCDMN Cc1ccc(CCC[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000809712419 1135876585 /nfs/dbraw/zinc/87/65/85/1135876585.db2.gz MNVLEPNPOVEZGG-UHFFFAOYSA-N 0 1 335.245 3.581 20 10 EHCDMN Cc1noc([C@H]2CCCCN2Cc2c(O)ccc(Cl)c2F)n1 ZINC000809718896 1135877957 /nfs/dbraw/zinc/87/79/57/1135877957.db2.gz RFPZXOQPBLVOSE-GFCCVEGCSA-N 0 1 325.771 3.603 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758527 1135887900 /nfs/dbraw/zinc/88/79/00/1135887900.db2.gz PHJHLLVTOWBWSZ-OLZOCXBDSA-N 0 1 327.827 3.823 20 10 EHCDMN CCOCc1cc(CNCc2cccc(OC)c2OC)ccc1OC ZINC001199430500 1135903007 /nfs/dbraw/zinc/90/30/07/1135903007.db2.gz HFSLPALZSYFDCY-UHFFFAOYSA-N 0 1 345.439 3.539 20 10 EHCDMN Fc1c(Cl)cccc1CNCc1ccc(N2CCOCC2)cc1 ZINC001199732268 1135924265 /nfs/dbraw/zinc/92/42/65/1135924265.db2.gz GRPKQPXLEXBGFZ-UHFFFAOYSA-N 0 1 334.822 3.606 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226976 1135940715 /nfs/dbraw/zinc/94/07/15/1135940715.db2.gz OWTFMLMPVBGVLH-NCUDTFITSA-N 0 1 337.407 3.609 20 10 EHCDMN CC[C@@H]([NH2+]CC1(OC)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228575 1135941473 /nfs/dbraw/zinc/94/14/73/1135941473.db2.gz VZZWWELNKJBCES-CQSZACIVSA-N 0 1 347.377 3.647 20 10 EHCDMN COc1ccc(N2CC[C@H](NCc3csc(C(C)(C)C)n3)C2)cc1 ZINC000850345988 1136238202 /nfs/dbraw/zinc/23/82/02/1136238202.db2.gz PDDOGYQJOOZECM-AWEZNQCLSA-N 0 1 345.512 3.818 20 10 EHCDMN COc1ccc(N2CC[C@@H](NCc3ncc(C(C)C)s3)C2)cc1 ZINC000850347093 1136238819 /nfs/dbraw/zinc/23/88/19/1136238819.db2.gz NGUHZNCZDNYMBS-CQSZACIVSA-N 0 1 331.485 3.644 20 10 EHCDMN COc1ccc(N2CC[C@H](N[C@@H](C)c3nc(C)sc3C)C2)cc1 ZINC000850487761 1136269616 /nfs/dbraw/zinc/26/96/16/1136269616.db2.gz JGCHURIBVOCOOI-WFASDCNBSA-N 0 1 331.485 3.698 20 10 EHCDMN COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(Cl)ccc3[O-])C2)cc1 ZINC000850489515 1136270031 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C[N@@H+](CC1=CCCOC1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000853561503 1136544140 /nfs/dbraw/zinc/54/41/40/1136544140.db2.gz GIYMXJMVYDYWAC-UHFFFAOYSA-N 0 1 327.424 3.796 20 10 EHCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1OCCc2ccccc21 ZINC000816495817 1136725160 /nfs/dbraw/zinc/72/51/60/1136725160.db2.gz KMXFOPVHIXQZEG-SFHVURJKSA-N 0 1 335.806 3.931 20 10 EHCDMN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816521565 1136733045 /nfs/dbraw/zinc/73/30/45/1136733045.db2.gz SHPUHRUSHBPWPQ-GFCCVEGCSA-N 0 1 343.826 3.740 20 10 EHCDMN [O-]c1c(C[NH2+]CCc2nnc(-c3ccccc3)o2)ccc2ccccc21 ZINC000816557847 1136736801 /nfs/dbraw/zinc/73/68/01/1136736801.db2.gz DLDWSKQALKLHQY-UHFFFAOYSA-N 0 1 345.402 3.928 20 10 EHCDMN CC1CCC2(CC1)OC[C@@H](C[NH2+]Cc1ccc3ccccc3c1[O-])O2 ZINC000816561080 1136736941 /nfs/dbraw/zinc/73/69/41/1136736941.db2.gz KYPCLFVHQZAFQY-BPVAQJAMSA-N 0 1 341.451 3.957 20 10 EHCDMN CC[C@@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000817587788 1136826416 /nfs/dbraw/zinc/82/64/16/1136826416.db2.gz HTMIEDCFNWEPPG-IUODEOHRSA-N 0 1 327.852 3.670 20 10 EHCDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000817880740 1136843633 /nfs/dbraw/zinc/84/36/33/1136843633.db2.gz GCNRIRHJDGPMNU-PBHICJAKSA-N 0 1 325.408 3.744 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000817944062 1136849071 /nfs/dbraw/zinc/84/90/71/1136849071.db2.gz XCTFTAZJRDZMBG-QZTJIDSGSA-N 0 1 347.890 3.852 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC000818631739 1136886515 /nfs/dbraw/zinc/88/65/15/1136886515.db2.gz ORWTTXNVWVZJKT-LPHOPBHVSA-N 0 1 332.488 3.998 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000858179377 1136946804 /nfs/dbraw/zinc/94/68/04/1136946804.db2.gz LZKVUOLDCYVZPL-NSHDSACASA-N 0 1 342.302 3.778 20 10 EHCDMN CCn1nnc(C)c1CNCc1ccc(N(C)C2CCCCC2)cc1 ZINC000823736895 1137111235 /nfs/dbraw/zinc/11/12/35/1137111235.db2.gz NWPUOWLHUJUECP-UHFFFAOYSA-N 0 1 341.503 3.665 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000862473309 1137146047 /nfs/dbraw/zinc/14/60/47/1137146047.db2.gz NKFXYCIRVKDPEX-OLZOCXBDSA-N 0 1 342.302 3.933 20 10 EHCDMN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824696982 1137147213 /nfs/dbraw/zinc/14/72/13/1137147213.db2.gz WXJVMCKVEGRIOB-BZUAXINKSA-N 0 1 339.863 3.570 20 10 EHCDMN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824696982 1137147214 /nfs/dbraw/zinc/14/72/14/1137147214.db2.gz WXJVMCKVEGRIOB-BZUAXINKSA-N 0 1 339.863 3.570 20 10 EHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001144293941 1137267659 /nfs/dbraw/zinc/26/76/59/1137267659.db2.gz WLARNXMJEBBDSA-GHMZBOCLSA-N 0 1 328.225 3.916 20 10 EHCDMN CCN(CC)c1ccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)cc1 ZINC000846019598 1137326373 /nfs/dbraw/zinc/32/63/73/1137326373.db2.gz ZZUGDIZJZVITJS-FOIQADDNSA-N 0 1 330.447 3.884 20 10 EHCDMN Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846280085 1137345007 /nfs/dbraw/zinc/34/50/07/1137345007.db2.gz JCLLRDPWBPABFZ-DNVCBOLYSA-N 0 1 330.472 3.670 20 10 EHCDMN Cc1cc(Cl)cc([C@@H](C)NCc2nn(C)cc2C(F)F)c1O ZINC000866566457 1137365162 /nfs/dbraw/zinc/36/51/62/1137365162.db2.gz DGASTEJGFCLJSF-SECBINFHSA-N 0 1 329.778 3.876 20 10 EHCDMN CCN(C)c1ccc([C@@H](C)N[C@@H](CO)c2ccccc2OC)cc1 ZINC000773013140 1137459372 /nfs/dbraw/zinc/45/93/72/1137459372.db2.gz XBUBVEZALFPJEV-BEFAXECRSA-N 0 1 328.456 3.536 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783200 1137512350 /nfs/dbraw/zinc/51/23/50/1137512350.db2.gz LPPGHEUJCNEQHH-ZDUSSCGKSA-N 0 1 336.204 3.551 20 10 EHCDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc(Br)c1[O-] ZINC000125742619 1137643567 /nfs/dbraw/zinc/64/35/67/1137643567.db2.gz SUNCTWLCINKCOQ-UHFFFAOYSA-N 0 1 341.636 3.835 20 10 EHCDMN CN(Cc1c(C(F)(F)F)nc2n1CCCC2)Cc1ccccc1O ZINC000876616527 1137657153 /nfs/dbraw/zinc/65/71/53/1137657153.db2.gz YVLJRGCVEWGLJR-UHFFFAOYSA-N 0 1 339.361 3.576 20 10 EHCDMN C[C@H](CCc1cccnc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000877520612 1137679302 /nfs/dbraw/zinc/67/93/02/1137679302.db2.gz CLRDUNCEFLWUQT-GFCCVEGCSA-N 0 1 335.245 3.661 20 10 EHCDMN [O-]c1c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)ccc(F)c1F ZINC000877517948 1137679407 /nfs/dbraw/zinc/67/94/07/1137679407.db2.gz QUYGIRBOAQNYFF-NUJGCVRESA-N 0 1 345.389 3.675 20 10 EHCDMN Cc1csc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000877812655 1137690692 /nfs/dbraw/zinc/69/06/92/1137690692.db2.gz DGWKBHCMGGCCIV-SNVBAGLBSA-N 0 1 326.824 3.939 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)ccc2ccccc21 ZINC000877821765 1137691662 /nfs/dbraw/zinc/69/16/62/1137691662.db2.gz NABPHCXMRYOELT-HNNXBMFYSA-N 0 1 325.330 3.699 20 10 EHCDMN [O-]c1c(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)ccc2ccccc21 ZINC000877821765 1137691663 /nfs/dbraw/zinc/69/16/63/1137691663.db2.gz NABPHCXMRYOELT-HNNXBMFYSA-N 0 1 325.330 3.699 20 10 EHCDMN CCC1([NH+](C)C)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000879287009 1137743378 /nfs/dbraw/zinc/74/33/78/1137743378.db2.gz JEIPSNBJQXSRHY-UHFFFAOYSA-N 0 1 338.879 3.554 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1COCc2ccccc21 ZINC000826130775 1137762132 /nfs/dbraw/zinc/76/21/32/1137762132.db2.gz MDAYFDJCDLUFMF-HNNXBMFYSA-N 0 1 334.213 3.516 20 10 EHCDMN CCOc1ccc(O)c(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000130670520 1137840587 /nfs/dbraw/zinc/84/05/87/1137840587.db2.gz JWLKCQFJJOGZIG-MGPUTAFESA-N 0 1 327.424 3.753 20 10 EHCDMN Oc1cccc(Cl)c1CNCc1cccnc1OCC(F)(F)F ZINC000113320275 1137912588 /nfs/dbraw/zinc/91/25/88/1137912588.db2.gz BAYJAUHBWWTFFZ-UHFFFAOYSA-N 0 1 346.736 3.672 20 10 EHCDMN COc1cc(F)c([C@H](C)NCc2ccc(N(C)C)cc2)cc1OC ZINC000114504564 1137917708 /nfs/dbraw/zinc/91/77/08/1137917708.db2.gz JXEXZKUGNITWGC-ZDUSSCGKSA-N 0 1 332.419 3.760 20 10 EHCDMN Clc1ccc(CNCc2ccc(N3CCSCC3)cc2)nc1 ZINC000885924853 1138025208 /nfs/dbraw/zinc/02/52/08/1138025208.db2.gz WYVAHXWYKMPIAJ-UHFFFAOYSA-N 0 1 333.888 3.578 20 10 EHCDMN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185027365 1140132366 /nfs/dbraw/zinc/13/23/66/1140132366.db2.gz PKBMFWCGBGBFRO-LBPRGKRZSA-N 0 1 332.831 3.646 20 10 EHCDMN C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cc(Cl)ccc1[O-] ZINC000185068705 1140134620 /nfs/dbraw/zinc/13/46/20/1140134620.db2.gz WXIFOCYVGANZIA-AWEZNQCLSA-N 0 1 345.874 3.756 20 10 EHCDMN COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000185269822 1140142168 /nfs/dbraw/zinc/14/21/68/1140142168.db2.gz XVIHBLNFNBUMJB-CABCVRRESA-N 0 1 344.430 3.717 20 10 EHCDMN CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185605070 1140158010 /nfs/dbraw/zinc/15/80/10/1140158010.db2.gz OQKKULQIRYTOLK-NWDGAFQWSA-N 0 1 330.266 3.604 20 10 EHCDMN CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185866794 1140174486 /nfs/dbraw/zinc/17/44/86/1140174486.db2.gz OXVQTTDEOBENMG-CYBMUJFWSA-N 0 1 339.439 3.701 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc(Br)ccc1[O-] ZINC000188017641 1140280253 /nfs/dbraw/zinc/28/02/53/1140280253.db2.gz SAJRJAMKPICYGG-BYCMXARLSA-N 0 1 342.277 3.747 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1[O-] ZINC000189241389 1140329081 /nfs/dbraw/zinc/32/90/81/1140329081.db2.gz HGNIXXTVEVOFMF-KRWDZBQOSA-N 0 1 337.847 3.639 20 10 EHCDMN CCCN(Cc1ccccc1O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193824046 1140588015 /nfs/dbraw/zinc/58/80/15/1140588015.db2.gz WHNIMOSFLOCGHB-UHFFFAOYSA-N 0 1 345.355 3.621 20 10 EHCDMN CC[C@H]([NH2+]CCN1CCCCC1)c1cc(Br)ccc1[O-] ZINC000049574563 1014392250 /nfs/dbraw/zinc/39/22/50/1014392250.db2.gz FFWCWXFVCMWWRJ-HNNXBMFYSA-N 0 1 341.293 3.681 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(F)cc1O ZINC001595300007 980432697 /nfs/dbraw/zinc/43/26/97/980432697.db2.gz MFPYFDMOGLJQAM-ZDUSSCGKSA-N 0 1 338.766 3.519 20 10 EHCDMN CC[C@@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(F)cc1O ZINC001595300006 980432802 /nfs/dbraw/zinc/43/28/02/980432802.db2.gz MFPYFDMOGLJQAM-CYBMUJFWSA-N 0 1 338.766 3.519 20 10 EHCDMN CC[C@](C)(C(=O)[O-])[N@@H+](Cc1c(O)ccc(Cl)c1F)CC1CC1 ZINC001594787612 981824729 /nfs/dbraw/zinc/82/47/29/981824729.db2.gz JCUVMKNCQYLGKU-MRXNPFEDSA-N 0 1 329.799 3.650 20 10 EHCDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1c(O)ccc(Cl)c1F)CC1CC1 ZINC001594787612 981824742 /nfs/dbraw/zinc/82/47/42/981824742.db2.gz JCUVMKNCQYLGKU-MRXNPFEDSA-N 0 1 329.799 3.650 20 10 EHCDMN CC[C@@H]1CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196932 1014942743 /nfs/dbraw/zinc/94/27/43/1014942743.db2.gz YSFOKAHVEAXKAM-OAHLLOKOSA-N 0 1 339.435 3.951 20 10 EHCDMN C[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598530584 992775046 /nfs/dbraw/zinc/77/50/46/992775046.db2.gz MSMALRWKVZULRV-HNNXBMFYSA-N 0 1 340.206 3.957 20 10 EHCDMN CCOc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC001167434859 1020019303 /nfs/dbraw/zinc/01/93/03/1020019303.db2.gz WOSFILHROFFYQV-UHFFFAOYSA-N 0 1 339.483 3.758 20 10 EHCDMN CN1CCN(c2ccc(CNc3ccc(C(C)(C)C)nc3)cc2)CC1 ZINC001167437133 1020160252 /nfs/dbraw/zinc/16/02/52/1020160252.db2.gz MDINXEMAMRIVIM-UHFFFAOYSA-N 0 1 338.499 3.743 20 10 EHCDMN CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000835077790 1023408334 /nfs/dbraw/zinc/40/83/34/1023408334.db2.gz VDEAOBXBHVFXCP-UHFFFAOYSA-N 0 1 325.815 3.576 20 10 EHCDMN C[C@H](NC1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000760041102 1024215730 /nfs/dbraw/zinc/21/57/30/1024215730.db2.gz VTUPUKYBNAZZQI-NSHDSACASA-N 0 1 330.806 3.625 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000157650963 1024992476 /nfs/dbraw/zinc/99/24/76/1024992476.db2.gz RBPGUFKWAFXRQL-NKFCBESUSA-N 0 1 340.261 3.763 20 10 EHCDMN [O-]c1c(C[NH+]2CCC(CO)(C(F)(F)F)CC2)ccc2ccccc12 ZINC000897037532 1026258989 /nfs/dbraw/zinc/25/89/89/1026258989.db2.gz QCMSTMHIUTYONX-UHFFFAOYSA-N 0 1 339.357 3.682 20 10 EHCDMN Cc1cc(Br)cc([C@@H](C)N[C@@H](C)c2ccn(C)n2)c1O ZINC000840815291 1026378124 /nfs/dbraw/zinc/37/81/24/1026378124.db2.gz DLGLVVOJQSUROM-MNOVXSKESA-N 0 1 338.249 3.608 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(N3CCCC3=O)c2)c(Cl)c1 ZINC000840874707 1026686393 /nfs/dbraw/zinc/68/63/93/1026686393.db2.gz BRGPAUOGWSJLPQ-UHFFFAOYSA-N 0 1 344.842 3.771 20 10 EHCDMN CCN1CCN(c2ccc(CNc3ccc(Cl)cn3)cc2F)CC1 ZINC000301431427 1026804181 /nfs/dbraw/zinc/80/41/81/1026804181.db2.gz IWIZUWCDNLXPMR-UHFFFAOYSA-N 0 1 348.853 3.628 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000273352952 1027390258 /nfs/dbraw/zinc/39/02/58/1027390258.db2.gz CBKIDSNDULXXSB-IJLUTSLNSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H](NCc1cn2ccsc2n1)c1cc2c(cc1O)CCCC2 ZINC000273444826 1027431626 /nfs/dbraw/zinc/43/16/26/1027431626.db2.gz ZTIWYBXGFNUARX-LBPRGKRZSA-N 0 1 327.453 3.831 20 10 EHCDMN Cc1ncc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])s1 ZINC000273561314 1027495240 /nfs/dbraw/zinc/49/52/40/1027495240.db2.gz ICQYINRFHWBKBU-QMMMGPOBSA-N 0 1 327.247 3.770 20 10 EHCDMN C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cc(Br)ccc1[O-] ZINC000273622773 1027522362 /nfs/dbraw/zinc/52/23/62/1027522362.db2.gz ZPDPEMPOJNGEQH-GFCCVEGCSA-N 0 1 342.277 3.748 20 10 EHCDMN CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000897523309 1028318250 /nfs/dbraw/zinc/31/82/50/1028318250.db2.gz UETWNTQVVPNTKW-ZDUSSCGKSA-N 0 1 325.758 3.619 20 10 EHCDMN CC[C@H]([NH2+]CC1(CO)CCCC1)c1cc(Br)ccc1[O-] ZINC000160073291 1030522738 /nfs/dbraw/zinc/52/27/38/1030522738.db2.gz UBISOAZQMQFXLM-AWEZNQCLSA-N 0 1 342.277 3.748 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000840872725 1031858325 /nfs/dbraw/zinc/85/83/25/1031858325.db2.gz NKOHWYOWJUVSDL-INIZCTEOSA-N 0 1 326.223 3.831 20 10 EHCDMN Cc1cnc([C@H](C)NCc2cc(Br)ccc2O)s1 ZINC000226783385 1033465933 /nfs/dbraw/zinc/46/59/33/1033465933.db2.gz MXQLWWLGEPGPEY-VIFPVBQESA-N 0 1 327.247 3.770 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000174391271 1033933691 /nfs/dbraw/zinc/93/36/91/1033933691.db2.gz BHYCSSRLLMNGGE-UHFFFAOYSA-N 0 1 335.806 3.980 20 10 EHCDMN CC[C@H]([NH2+]CCOCC1CC1)c1cc(Br)ccc1[O-] ZINC000229554018 1034247750 /nfs/dbraw/zinc/24/77/50/1034247750.db2.gz DBQMHWXMNJSQMB-AWEZNQCLSA-N 0 1 328.250 3.622 20 10 EHCDMN C[C@H](COc1ccccc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000725849370 1035436899 /nfs/dbraw/zinc/43/68/99/1035436899.db2.gz LOYUYXVLUQKNHM-GFCCVEGCSA-N 0 1 336.229 3.712 20 10 EHCDMN C[C@@H]1CCC[N@H+](Cc2ccc(I)cc2[O-])[C@@H]1C ZINC001232979123 1035638271 /nfs/dbraw/zinc/63/82/71/1035638271.db2.gz SKTGMPFCSLYLRH-GHMZBOCLSA-N 0 1 345.224 3.617 20 10 EHCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(I)cc2[O-])[C@@H]1C ZINC001232979123 1035638279 /nfs/dbraw/zinc/63/82/79/1035638279.db2.gz SKTGMPFCSLYLRH-GHMZBOCLSA-N 0 1 345.224 3.617 20 10 EHCDMN C[C@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000186633948 1035675362 /nfs/dbraw/zinc/67/53/62/1035675362.db2.gz YZHFLUSMUKVHPL-HXPMCKFVSA-N 0 1 343.377 3.844 20 10 EHCDMN CC(C)OC1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000130112474 1037242549 /nfs/dbraw/zinc/24/25/49/1037242549.db2.gz HZEGZZGEJNLSIN-UHFFFAOYSA-N 0 1 342.277 3.981 20 10 EHCDMN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cnn(C)c1 ZINC000163843344 1037763203 /nfs/dbraw/zinc/76/32/03/1037763203.db2.gz UDXVWTXJSVUVEV-GJZGRUSLSA-N 0 1 330.451 3.961 20 10 EHCDMN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc2ccccc2c1[O-] ZINC000363849173 1038679966 /nfs/dbraw/zinc/67/99/66/1038679966.db2.gz GKKUVQHURGJVII-HNNXBMFYSA-N 0 1 344.418 3.977 20 10 EHCDMN CCCc1nnc(NCc2cc(Cl)cc(Br)c2O)o1 ZINC000905407332 1038864062 /nfs/dbraw/zinc/86/40/62/1038864062.db2.gz DKWPPMBIZOIAKH-UHFFFAOYSA-N 0 1 346.612 3.756 20 10 EHCDMN CCOc1cccc(CN2CCN([C@@H](C)c3ccsc3)CC2)c1O ZINC000184971791 1038971584 /nfs/dbraw/zinc/97/15/84/1038971584.db2.gz TUAWWSOLYWFSPE-HNNXBMFYSA-N 0 1 346.496 3.731 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000274729036 1039331087 /nfs/dbraw/zinc/33/10/87/1039331087.db2.gz BIDAPYWNQQFSSR-OSMZGAPFSA-N 0 1 328.250 3.763 20 10 EHCDMN CSc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000893879038 1039786152 /nfs/dbraw/zinc/78/61/52/1039786152.db2.gz CGIRUBCVEYJQIA-HNNXBMFYSA-N 0 1 333.453 3.888 20 10 EHCDMN Oc1c(F)cc(F)cc1CN1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000893969533 1039900339 /nfs/dbraw/zinc/90/03/39/1039900339.db2.gz VASQQYMHPYRQIK-CQSZACIVSA-N 0 1 335.354 3.658 20 10 EHCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000894052689 1040015217 /nfs/dbraw/zinc/01/52/17/1040015217.db2.gz DSAGYXJHFWQUOO-HNNXBMFYSA-N 0 1 333.378 3.709 20 10 EHCDMN CC[N@@H+](CCC(C)(C)OC)Cc1cc(Br)ccc1[O-] ZINC000787254942 1133978678 /nfs/dbraw/zinc/97/86/78/1133978678.db2.gz NPEZLHJCYQNCJQ-UHFFFAOYSA-N 0 1 330.266 3.792 20 10 EHCDMN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000184948541 1126721923 /nfs/dbraw/zinc/72/19/23/1126721923.db2.gz ZGONKCRVYPZNGJ-VBKZILBWSA-N 0 1 337.419 3.938 20 10 EHCDMN C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc2ccccc2c1[O-] ZINC000185983587 1127218744 /nfs/dbraw/zinc/21/87/44/1127218744.db2.gz WEMOMDLWBGVFCK-AWEZNQCLSA-N 0 1 334.419 3.538 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[NH2+]C1(c2nccs2)CCCC1 ZINC000764126585 1127446198 /nfs/dbraw/zinc/44/61/98/1127446198.db2.gz PKTRNSMCTLBOEZ-UHFFFAOYSA-N 0 1 325.437 3.956 20 10 EHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cnn(-c2ccccc2)c1 ZINC000765474544 1127616317 /nfs/dbraw/zinc/61/63/17/1127616317.db2.gz DQBKXXAPXPUAKY-HNNXBMFYSA-N 0 1 338.430 3.928 20 10 EHCDMN CCCCOc1ncccc1CNCc1ccc2c(c1)CCCO2 ZINC001648931142 1120237879 /nfs/dbraw/zinc/23/78/79/1120237879.db2.gz UIWJZPSPTNHRCK-UHFFFAOYSA-N 0 1 326.440 3.875 20 10 EHCDMN COc1ccc(N2CCN([C@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC001168476829 1120946969 /nfs/dbraw/zinc/94/69/69/1120946969.db2.gz WQQFYHQLSUXGRL-MRXNPFEDSA-N 0 1 328.431 3.588 20 10 EHCDMN CC[C@@H]([NH2+]CCC[C@H](C)CO)c1cc(Br)ccc1[O-] ZINC000229565028 1120968282 /nfs/dbraw/zinc/96/82/82/1120968282.db2.gz MFXSGFAGWHMCNW-SMDDNHRTSA-N 0 1 330.266 3.604 20 10 EHCDMN CC[C@H]([NH2+]CCC[C@@H](C)CO)c1cc(Br)ccc1[O-] ZINC000229565021 1120968308 /nfs/dbraw/zinc/96/83/08/1120968308.db2.gz MFXSGFAGWHMCNW-RISCZKNCSA-N 0 1 330.266 3.604 20 10 EHCDMN COc1ccc(O)c([C@H](C)NCc2coc(-c3cccs3)n2)c1 ZINC000182364176 1125268254 /nfs/dbraw/zinc/26/82/54/1125268254.db2.gz VJWKUVOWRKSFGD-NSHDSACASA-N 0 1 330.409 3.968 20 10 EHCDMN CCCN(CC(=O)Nc1ccc(SC)cc1)Cc1ccccc1O ZINC000727830839 1130598592 /nfs/dbraw/zinc/59/85/92/1130598592.db2.gz QILHDHNQKKKWEJ-UHFFFAOYSA-N 0 1 344.480 3.965 20 10 EHCDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C1=CC(=O)CS1 ZINC000738538996 1131471472 /nfs/dbraw/zinc/47/14/72/1131471472.db2.gz ULWQJSZMSTVYGG-UHFFFAOYSA-N 0 1 336.376 3.644 20 10 EHCDMN CC[N@H+](CCCCCCCO)Cc1cc(Br)ccc1[O-] ZINC000743871033 1131996523 /nfs/dbraw/zinc/99/65/23/1131996523.db2.gz NDHDYHPVNUSTQU-UHFFFAOYSA-N 0 1 344.293 3.919 20 10 EHCDMN CC[N@@H+](CCCCCCCO)Cc1cc(Br)ccc1[O-] ZINC000743871033 1131996529 /nfs/dbraw/zinc/99/65/29/1131996529.db2.gz NDHDYHPVNUSTQU-UHFFFAOYSA-N 0 1 344.293 3.919 20 10 EHCDMN Nc1ccc(OCCCOc2ccc(Nc3ccncc3)cc2)cc1 ZINC001173883332 1132179491 /nfs/dbraw/zinc/17/94/91/1132179491.db2.gz NDOKVDJYNWRBFY-UHFFFAOYSA-N 0 1 335.407 3.677 20 10 EHCDMN CNC(=O)c1ccc(CN(Cc2c(O)cccc2Cl)C2CC2)cc1 ZINC000768423784 1133137303 /nfs/dbraw/zinc/13/73/03/1133137303.db2.gz VXXVYBMTJYCMOD-UHFFFAOYSA-N 0 1 344.842 3.570 20 10 EHCDMN COc1cc(CN(C)Cc2ccc(N(C)C)c(F)c2)cc(OC)c1 ZINC000768538729 1133152374 /nfs/dbraw/zinc/15/23/74/1133152374.db2.gz YDZSDDZNZPESAC-UHFFFAOYSA-N 0 1 332.419 3.541 20 10 EHCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000768927559 1133205083 /nfs/dbraw/zinc/20/50/83/1133205083.db2.gz YJGPRBNRBNQZSM-UHFFFAOYSA-N 0 1 335.245 3.960 20 10 EHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769214175 1133245963 /nfs/dbraw/zinc/24/59/63/1133245963.db2.gz SRVCDRROJNVRBQ-KBPBESRZSA-N 0 1 338.879 3.562 20 10 EHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769214175 1133245967 /nfs/dbraw/zinc/24/59/67/1133245967.db2.gz SRVCDRROJNVRBQ-KBPBESRZSA-N 0 1 338.879 3.562 20 10 EHCDMN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000769417871 1133280376 /nfs/dbraw/zinc/28/03/76/1133280376.db2.gz QFTFHVFAWWUJMN-MNOVXSKESA-N 0 1 328.840 3.609 20 10 EHCDMN Cc1cc(O)c(CN2CCN(c3ccc(F)cc3)CC2)c(Cl)c1 ZINC001180375061 1133363129 /nfs/dbraw/zinc/36/31/29/1133363129.db2.gz DYXMLYOCKORGRH-UHFFFAOYSA-N 0 1 334.822 3.815 20 10 EHCDMN CCc1ccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])CCO2)cc1 ZINC001180886056 1133419861 /nfs/dbraw/zinc/41/98/61/1133419861.db2.gz VRLMTMCUFCSBOQ-KRWDZBQOSA-N 0 1 333.378 3.806 20 10 EHCDMN CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])CCO2)cc1 ZINC001180886056 1133419864 /nfs/dbraw/zinc/41/98/64/1133419864.db2.gz VRLMTMCUFCSBOQ-KRWDZBQOSA-N 0 1 333.378 3.806 20 10 EHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC2CCC2)C1 ZINC000774114693 1133612354 /nfs/dbraw/zinc/61/23/54/1133612354.db2.gz HTBTXZPCAYZLFC-UHFFFAOYSA-N 0 1 326.440 3.504 20 10 EHCDMN [O-]c1c(F)cccc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001182566132 1133700283 /nfs/dbraw/zinc/70/02/83/1133700283.db2.gz LNLKBBXCXYFRJR-LJQANCHMSA-N 0 1 329.415 3.695 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000785613318 1133730931 /nfs/dbraw/zinc/73/09/31/1133730931.db2.gz DYAXRKUWEYMEAJ-HNNXBMFYSA-N 0 1 330.186 3.661 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)ccc2ccccc12 ZINC001183057889 1133764116 /nfs/dbraw/zinc/76/41/16/1133764116.db2.gz BPFFTHCRBGRRFP-OAHLLOKOSA-N 0 1 335.329 3.635 20 10 EHCDMN [O-]c1c(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)ccc(F)c1F ZINC001183511676 1133820369 /nfs/dbraw/zinc/82/03/69/1133820369.db2.gz SAVRNMVTFQSKHU-AWEZNQCLSA-N 0 1 325.399 3.699 20 10 EHCDMN Cc1cc([O-])c(C[NH+]2CCC(C(=O)OC(C)C)CC2)c(Cl)c1 ZINC001183885007 1133870172 /nfs/dbraw/zinc/87/01/72/1133870172.db2.gz CRQCLRPNDHGGRB-UHFFFAOYSA-N 0 1 325.836 3.518 20 10 EHCDMN Cc1cc(O)c(CN2CCC(C(=O)OC(C)C)CC2)c(Cl)c1 ZINC001183885007 1133870176 /nfs/dbraw/zinc/87/01/76/1133870176.db2.gz CRQCLRPNDHGGRB-UHFFFAOYSA-N 0 1 325.836 3.518 20 10 EHCDMN CC[N@H+](CCC(C)(C)OC)Cc1cc(Br)ccc1[O-] ZINC000787254942 1133978671 /nfs/dbraw/zinc/97/86/71/1133978671.db2.gz NPEZLHJCYQNCJQ-UHFFFAOYSA-N 0 1 330.266 3.792 20 10 EHCDMN CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774840160 1134047973 /nfs/dbraw/zinc/04/79/73/1134047973.db2.gz JIANKRMYYFSFCH-UHFFFAOYSA-N 0 1 348.374 3.860 20 10 EHCDMN COc1c(O)c(C[N@H+]2CC(C)(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774853649 1134067792 /nfs/dbraw/zinc/06/77/92/1134067792.db2.gz PSWLKVACIDGUCA-GOSISDBHSA-N 0 1 342.395 3.892 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC(C)(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774853649 1134067810 /nfs/dbraw/zinc/06/78/10/1134067810.db2.gz PSWLKVACIDGUCA-GOSISDBHSA-N 0 1 342.395 3.892 20 10 EHCDMN Cc1ccc(CN(C)Cc2cc(Br)cc(C)c2O)nc1 ZINC000789594941 1134304336 /nfs/dbraw/zinc/30/43/36/1134304336.db2.gz QMIPLCBJVDBVNC-UHFFFAOYSA-N 0 1 335.245 3.799 20 10 EHCDMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000789593452 1134304522 /nfs/dbraw/zinc/30/45/22/1134304522.db2.gz QEXJAHOFXVQSEH-MRXNPFEDSA-N 0 1 342.277 3.528 20 10 EHCDMN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000790050441 1134365128 /nfs/dbraw/zinc/36/51/28/1134365128.db2.gz SDSMQYYFRXSVGA-UHFFFAOYSA-N 0 1 325.817 3.970 20 10 EHCDMN COc1ccc(C[NH+](C)C)cc1NCc1c([O-])ccc(Cl)c1F ZINC000790976121 1134494725 /nfs/dbraw/zinc/49/47/25/1134494725.db2.gz CYAZZPXEQCMNOL-UHFFFAOYSA-N 0 1 338.810 3.867 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000792162117 1134654844 /nfs/dbraw/zinc/65/48/44/1134654844.db2.gz FBIWHAVQPLEZIW-MRXNPFEDSA-N 0 1 339.769 3.897 20 10 EHCDMN c1ccc(COc2cc(CNCc3ccc4c(c3)CCO4)ccn2)cc1 ZINC000077328415 1134680144 /nfs/dbraw/zinc/68/01/44/1134680144.db2.gz XAGFSDPWLPOIPV-UHFFFAOYSA-N 0 1 346.430 3.885 20 10 EHCDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc(OC)ccc1O ZINC000775373018 1134681124 /nfs/dbraw/zinc/68/11/24/1134681124.db2.gz LHCUOUZSKKUWPX-GFCCVEGCSA-N 0 1 346.383 3.559 20 10 EHCDMN CN(C)c1ccc(CNCc2ccc(F)cn2)c(C(F)(F)F)c1 ZINC000793014933 1134839248 /nfs/dbraw/zinc/83/92/48/1134839248.db2.gz ANLWINYABJBHPV-UHFFFAOYSA-N 0 1 327.325 3.595 20 10 EHCDMN CN(C)c1ccc(CNc2ccc3nn[nH]c3c2)c(C(F)(F)F)c1 ZINC000793015043 1134839305 /nfs/dbraw/zinc/83/93/05/1134839305.db2.gz CBXGQEFRNRMVNH-UHFFFAOYSA-N 0 1 335.333 3.655 20 10 EHCDMN CN(C)c1ccc(CNc2ccc3n[nH]nc3c2)c(C(F)(F)F)c1 ZINC000793015043 1134839309 /nfs/dbraw/zinc/83/93/09/1134839309.db2.gz CBXGQEFRNRMVNH-UHFFFAOYSA-N 0 1 335.333 3.655 20 10 EHCDMN Cc1cccc(CC2(O)CC[NH+](Cc3c([O-])cccc3Cl)CC2)c1 ZINC000793321970 1134903818 /nfs/dbraw/zinc/90/38/18/1134903818.db2.gz DZEZCIXFCXQMHE-UHFFFAOYSA-N 0 1 345.870 3.924 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1[O-] ZINC000775500514 1134968279 /nfs/dbraw/zinc/96/82/79/1134968279.db2.gz QHSKQPDCJLAONQ-WCQYABFASA-N 0 1 336.785 3.723 20 10 EHCDMN CCc1cc(C[NH2+][C@H](CC)c2cc(Br)ccc2[O-])on1 ZINC000775510199 1134970869 /nfs/dbraw/zinc/97/08/69/1134970869.db2.gz WIWRKXFCNDCPIY-CQSZACIVSA-N 0 1 339.233 3.946 20 10 EHCDMN CC[C@H]([NH2+][C@H](CO)c1ccccc1OC)c1cc(Cl)ccc1[O-] ZINC000775523284 1135000160 /nfs/dbraw/zinc/00/01/60/1135000160.db2.gz HKOWFLKFWCEBEC-JKSUJKDBSA-N 0 1 335.831 3.829 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1[O-] ZINC000775524636 1135008650 /nfs/dbraw/zinc/00/86/50/1135008650.db2.gz UTQWDXLLYVIQJY-GDBMZVCRSA-N 0 1 331.847 3.760 20 10 EHCDMN Cc1nc(CN2CCCc3cc(OCc4ccccc4)ccc32)n[nH]1 ZINC000794374536 1135045254 /nfs/dbraw/zinc/04/52/54/1135045254.db2.gz FNIJAPJHSQLIBA-UHFFFAOYSA-N 0 1 334.423 3.645 20 10 EHCDMN CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](CC)Cc1ccccc1[O-] ZINC001170451544 1135073772 /nfs/dbraw/zinc/07/37/72/1135073772.db2.gz YUAIYTKHWYFZNC-KRWDZBQOSA-N 0 1 327.424 3.964 20 10 EHCDMN CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC)Cc1ccccc1[O-] ZINC001170451544 1135073777 /nfs/dbraw/zinc/07/37/77/1135073777.db2.gz YUAIYTKHWYFZNC-KRWDZBQOSA-N 0 1 327.424 3.964 20 10 EHCDMN O=C(Nc1ccccc1OCC1CC1)c1cc(O)c(O)c(Cl)c1 ZINC001193625568 1135161608 /nfs/dbraw/zinc/16/16/08/1135161608.db2.gz PNHNJFIPRKDPAE-UHFFFAOYSA-N 0 1 333.771 3.792 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000775695960 1135532770 /nfs/dbraw/zinc/53/27/70/1135532770.db2.gz FLGVMFMVHCBPKV-KRWDZBQOSA-N 0 1 335.806 3.667 20 10 EHCDMN O=C(Cc1ccc(Cl)cn1)NCc1cc(Cl)cc(Cl)c1O ZINC000807840580 1135575325 /nfs/dbraw/zinc/57/53/25/1135575325.db2.gz FFWNKANGXQGSAU-UHFFFAOYSA-N 0 1 345.613 3.606 20 10 EHCDMN CC(=O)c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807841130 1135576033 /nfs/dbraw/zinc/57/60/33/1135576033.db2.gz SNUKPMSQGWGXGX-UHFFFAOYSA-N 0 1 338.190 3.832 20 10 EHCDMN O=C(COC1CCCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807836119 1135580521 /nfs/dbraw/zinc/58/05/21/1135580521.db2.gz PEEPJGFMZRSYCT-UHFFFAOYSA-N 0 1 332.227 3.665 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc2[nH]cnc21 ZINC000807839469 1135581212 /nfs/dbraw/zinc/58/12/12/1135581212.db2.gz NIIFFEITWCBNBB-UHFFFAOYSA-N 0 1 336.178 3.505 20 10 EHCDMN COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807839504 1135581841 /nfs/dbraw/zinc/58/18/41/1135581841.db2.gz GIIHAPNKJOFKQU-UHFFFAOYSA-N 0 1 326.179 3.638 20 10 EHCDMN Cc1nc(NCc2cc(Cl)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000808086639 1135616279 /nfs/dbraw/zinc/61/62/79/1135616279.db2.gz FJTBZHOWBFOSDO-UHFFFAOYSA-N 0 1 328.155 3.923 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000808434524 1135666743 /nfs/dbraw/zinc/66/67/43/1135666743.db2.gz ABTGEICYJVYIDT-UHFFFAOYSA-N 0 1 334.153 3.716 20 10 EHCDMN CCN(CC)c1ccc(CN(CCOC)Cc2ccccn2)cc1 ZINC000809734273 1135873705 /nfs/dbraw/zinc/87/37/05/1135873705.db2.gz CEZZOGOCGTZOIP-UHFFFAOYSA-N 0 1 327.472 3.576 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217244 1135938988 /nfs/dbraw/zinc/93/89/88/1135938988.db2.gz ZHTLPQHXNLCBEC-IAQYHMDHSA-N 0 1 330.394 3.934 20 10 EHCDMN CCc1cc(C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2[O-])[nH]n1 ZINC000810217363 1135939172 /nfs/dbraw/zinc/93/91/72/1135939172.db2.gz BUTTVVNKHFVOGN-AWEZNQCLSA-N 0 1 327.350 3.937 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211015 1135943699 /nfs/dbraw/zinc/94/36/99/1135943699.db2.gz KDZCFBXRIBJJKU-HUUCEWRRSA-N 0 1 330.394 3.792 20 10 EHCDMN CC[C@@H](NCc1csc(COC)n1)c1cc(Cl)ccc1O ZINC000810252231 1135948190 /nfs/dbraw/zinc/94/81/90/1135948190.db2.gz ANHADFDWNDRMPY-CYBMUJFWSA-N 0 1 326.849 3.889 20 10 EHCDMN COC(=O)c1ccc(O)c([C@@H](C)Nc2cc3c(cn2)CCCC3)c1 ZINC000812738982 1136240648 /nfs/dbraw/zinc/24/06/48/1136240648.db2.gz GMTGPXZRVMCVOY-GFCCVEGCSA-N 0 1 326.396 3.626 20 10 EHCDMN COc1ccc(F)cc1CNCc1ccc(N2CCSCC2)cc1 ZINC000812747310 1136241512 /nfs/dbraw/zinc/24/15/12/1136241512.db2.gz VBHFWXYKTOOZQW-UHFFFAOYSA-N 0 1 346.471 3.677 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](COC)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000850492384 1136270865 /nfs/dbraw/zinc/27/08/65/1136270865.db2.gz APGUGQSFDJDGAG-CVEARBPZSA-N 0 1 327.852 3.528 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc2ccccc2c1[O-] ZINC000850500618 1136272873 /nfs/dbraw/zinc/27/28/73/1136272873.db2.gz FLUKHECXHZJVPL-ZDIDSZGESA-N 0 1 331.481 3.886 20 10 EHCDMN C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc(Br)cc1[O-] ZINC000850528918 1136279047 /nfs/dbraw/zinc/27/90/47/1136279047.db2.gz OELRUESLWWACOL-GLZQIGESSA-N 0 1 348.240 3.984 20 10 EHCDMN C[C@@H](NC(=O)CN(C)Cc1ccccc1O)c1cccc2ccccc21 ZINC000109772846 1136339715 /nfs/dbraw/zinc/33/97/15/1136339715.db2.gz QNIJGICURXUMAP-MRXNPFEDSA-N 0 1 348.446 3.855 20 10 EHCDMN CNC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000109797488 1136340634 /nfs/dbraw/zinc/34/06/34/1136340634.db2.gz NUXRXSUAVQYPDE-UHFFFAOYSA-N 0 1 338.451 3.697 20 10 EHCDMN CC(C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccn1 ZINC000813684138 1136356307 /nfs/dbraw/zinc/35/63/07/1136356307.db2.gz KJNSEPSVHTYSBX-UHFFFAOYSA-N 0 1 339.222 3.688 20 10 EHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CC[C@H](OC)C1 ZINC000851791740 1136407466 /nfs/dbraw/zinc/40/74/66/1136407466.db2.gz CMJQBXAYAKAPBX-KBPBESRZSA-N 0 1 328.250 3.544 20 10 EHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CC[C@H](OC)C1 ZINC000851791740 1136407468 /nfs/dbraw/zinc/40/74/68/1136407468.db2.gz CMJQBXAYAKAPBX-KBPBESRZSA-N 0 1 328.250 3.544 20 10 EHCDMN COC[C@H](NCc1ccc(N(C)C)c(C)c1)c1cccc(OC)c1 ZINC000852443500 1136456563 /nfs/dbraw/zinc/45/65/63/1136456563.db2.gz MBHULQQCFBNISI-IBGZPJMESA-N 0 1 328.456 3.547 20 10 EHCDMN CN(C)c1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccco2)cc1 ZINC000852485697 1136459697 /nfs/dbraw/zinc/45/96/97/1136459697.db2.gz PVJUQGOKHKFLQQ-IBGZPJMESA-N 0 1 326.440 3.699 20 10 EHCDMN C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCO1 ZINC000854476018 1136619170 /nfs/dbraw/zinc/61/91/70/1136619170.db2.gz ZLZJHEADHDHHQV-ZANVPECISA-N 0 1 332.227 3.520 20 10 EHCDMN COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])oc1C ZINC000816483217 1136723437 /nfs/dbraw/zinc/72/34/37/1136723437.db2.gz KBWSLQRCLNZOBD-UHFFFAOYSA-N 0 1 341.766 3.505 20 10 EHCDMN COc1ccc(N2CCCN(Cc3cccc(O)c3Cl)CC2)cc1 ZINC000816495035 1136724747 /nfs/dbraw/zinc/72/47/47/1136724747.db2.gz HXPUNKOEARGAOK-UHFFFAOYSA-N 0 1 346.858 3.767 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000816520320 1136727194 /nfs/dbraw/zinc/72/71/94/1136727194.db2.gz LZWCVSOCZMHZPD-LRDDRELGSA-N 0 1 339.794 3.866 20 10 EHCDMN COC(=O)CCC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816509626 1136728905 /nfs/dbraw/zinc/72/89/05/1136728905.db2.gz XHIOUELOSOGLRF-UHFFFAOYSA-N 0 1 327.424 3.711 20 10 EHCDMN COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(Cl)c(F)cc1O ZINC000816511492 1136729021 /nfs/dbraw/zinc/72/90/21/1136729021.db2.gz ZMILEMUSLXLDAQ-MRXNPFEDSA-N 0 1 337.778 3.531 20 10 EHCDMN COc1ccc([C@H](CO)[N@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC000816512031 1136729544 /nfs/dbraw/zinc/72/95/44/1136729544.db2.gz UZLYTMSWKYNAOW-FQEVSTJZSA-N 0 1 337.419 3.719 20 10 EHCDMN COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC000816512031 1136729549 /nfs/dbraw/zinc/72/95/49/1136729549.db2.gz UZLYTMSWKYNAOW-FQEVSTJZSA-N 0 1 337.419 3.719 20 10 EHCDMN CCNC(=O)c1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816536959 1136731084 /nfs/dbraw/zinc/73/10/84/1136731084.db2.gz OTDDVJWYKRTXPY-UHFFFAOYSA-N 0 1 334.419 3.585 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)ccc2ccccc12 ZINC000816538501 1136731349 /nfs/dbraw/zinc/73/13/49/1136731349.db2.gz UCEYSWAJRPLVQY-INIZCTEOSA-N 0 1 339.410 3.625 20 10 EHCDMN CN(CC[NH2+]Cc1ccc2ccccc2c1[O-])C(=O)OC(C)(C)C ZINC000816545238 1136732334 /nfs/dbraw/zinc/73/23/34/1136732334.db2.gz JBEKGJGULKAKFV-UHFFFAOYSA-N 0 1 330.428 3.502 20 10 EHCDMN C[NH+](C)CCOc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816524919 1136733747 /nfs/dbraw/zinc/73/37/47/1136733747.db2.gz WMRXAPJNXXAKJB-UHFFFAOYSA-N 0 1 338.810 3.737 20 10 EHCDMN COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc3ccccc3c1[O-])C2 ZINC000816559429 1136737038 /nfs/dbraw/zinc/73/70/38/1136737038.db2.gz JZTSFEAPOMXFNB-KRWDZBQOSA-N 0 1 335.403 3.647 20 10 EHCDMN CC(C)(C)OC(=O)N1CCCN1Cc1cc(Cl)c(F)cc1O ZINC000816602653 1136740515 /nfs/dbraw/zinc/74/05/15/1136740515.db2.gz GTNGCHLLMLPUQV-UHFFFAOYSA-N 0 1 330.787 3.543 20 10 EHCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1Cl ZINC000817574510 1136821458 /nfs/dbraw/zinc/82/14/58/1136821458.db2.gz PDORRVXRULTPKN-LSDHHAIUSA-N 0 1 345.874 3.983 20 10 EHCDMN CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000858506203 1136974462 /nfs/dbraw/zinc/97/44/62/1136974462.db2.gz SHVHXZFKNWZWCH-CZUORRHYSA-N 0 1 325.408 3.848 20 10 EHCDMN CC[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cc(Cl)ccc1[O-] ZINC000858539839 1136977285 /nfs/dbraw/zinc/97/72/85/1136977285.db2.gz NOOJTJQCNGKBLJ-CQSZACIVSA-N 0 1 346.814 3.731 20 10 EHCDMN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1CCCC1 ZINC000821720047 1137037752 /nfs/dbraw/zinc/03/77/52/1137037752.db2.gz JNRYXRCMVDSQQB-KRWDZBQOSA-N 0 1 338.451 3.578 20 10 EHCDMN CCOc1ccc(O)c(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000822525884 1137062239 /nfs/dbraw/zinc/06/22/39/1137062239.db2.gz PGERVIFJQMQBQO-RTBURBONSA-N 0 1 347.842 3.752 20 10 EHCDMN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824286918 1137132648 /nfs/dbraw/zinc/13/26/48/1137132648.db2.gz LMUFVSVFJRYWDF-ZDUSSCGKSA-N 0 1 330.428 3.548 20 10 EHCDMN Cc1cc(Cl)cc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636869 1137145603 /nfs/dbraw/zinc/14/56/03/1137145603.db2.gz UPDFFXOXVKBYMV-IEBWSBKVSA-N 0 1 349.833 3.654 20 10 EHCDMN COC(=O)CCC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824789676 1137154079 /nfs/dbraw/zinc/15/40/79/1137154079.db2.gz QJIGMTMWTABOKP-UHFFFAOYSA-N 0 1 325.836 3.519 20 10 EHCDMN CN(Cc1csc(C(C)(C)O)n1)Cc1cc(Cl)cc(F)c1O ZINC000825154011 1137167414 /nfs/dbraw/zinc/16/74/14/1137167414.db2.gz XMVWWZIHLALKFC-UHFFFAOYSA-N 0 1 344.839 3.501 20 10 EHCDMN Cc1csc(C(C)(C)[NH2+]Cc2ccc(Br)cc2[O-])n1 ZINC000825279506 1137171376 /nfs/dbraw/zinc/17/13/76/1137171376.db2.gz VJDTVBOCBBAHDF-UHFFFAOYSA-N 0 1 341.274 3.945 20 10 EHCDMN Cc1csc(C(C)(C)NCc2ccc(Br)cc2O)n1 ZINC000825279506 1137171377 /nfs/dbraw/zinc/17/13/77/1137171377.db2.gz VJDTVBOCBBAHDF-UHFFFAOYSA-N 0 1 341.274 3.945 20 10 EHCDMN C[C@@H](CCc1cccn1C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825286540 1137171510 /nfs/dbraw/zinc/17/15/10/1137171510.db2.gz FFPMXAKZWSNECX-LBPRGKRZSA-N 0 1 337.261 3.604 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccccc2Cl)cc1Cl ZINC000825298163 1137171752 /nfs/dbraw/zinc/17/17/52/1137171752.db2.gz VNFAYJBHPWYCGN-MRXNPFEDSA-N 0 1 326.223 3.831 20 10 EHCDMN COC(=O)Nc1ccc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825303220 1137172074 /nfs/dbraw/zinc/17/20/74/1137172074.db2.gz FTYDMASGJGDBRV-UHFFFAOYSA-N 0 1 348.830 3.865 20 10 EHCDMN Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825365652 1137175000 /nfs/dbraw/zinc/17/50/00/1137175000.db2.gz KEEDYSIZRNGMLG-VIFPVBQESA-N 0 1 339.233 3.653 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1Cl ZINC000825399856 1137176817 /nfs/dbraw/zinc/17/68/17/1137176817.db2.gz DEFQWLOFCKNWQC-YUELXQCFSA-N 0 1 329.918 3.823 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000863739005 1137201665 /nfs/dbraw/zinc/20/16/65/1137201665.db2.gz GPGXBAUQQAFJDU-VQIMIIECSA-N 0 1 332.488 3.856 20 10 EHCDMN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000846056675 1137327004 /nfs/dbraw/zinc/32/70/04/1137327004.db2.gz WPJKGYSZCBWDOZ-KCPJHIHWSA-N 0 1 325.836 3.503 20 10 EHCDMN Cc1cc(N(C)C)ccc1CN[C@@H](Cc1ccccc1)c1nccn1C ZINC000846056117 1137327629 /nfs/dbraw/zinc/32/76/29/1137327629.db2.gz FPCNSZBAPLMGLW-NRFANRHFSA-N 0 1 348.494 3.868 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846109046 1137332678 /nfs/dbraw/zinc/33/26/78/1137332678.db2.gz SLDVHMVFYFRVAE-CYBMUJFWSA-N 0 1 332.188 3.776 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846109046 1137332679 /nfs/dbraw/zinc/33/26/79/1137332679.db2.gz SLDVHMVFYFRVAE-CYBMUJFWSA-N 0 1 332.188 3.776 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846107529 1137332864 /nfs/dbraw/zinc/33/28/64/1137332864.db2.gz IXDJGDBXAAINGL-ZDUSSCGKSA-N 0 1 332.188 3.776 20 10 EHCDMN COc1cccc([C@H](C)N[C@H](C)c2nccn2-c2ccccc2)c1O ZINC000846173223 1137338241 /nfs/dbraw/zinc/33/82/41/1137338241.db2.gz PRVREMJPQKCEAK-LSDHHAIUSA-N 0 1 337.423 3.998 20 10 EHCDMN CC[C@H](NCc1nn(C)cc1C(F)F)c1cc(Cl)ccc1O ZINC000866564735 1137364963 /nfs/dbraw/zinc/36/49/63/1137364963.db2.gz AIJXRVBEPHJPPF-LBPRGKRZSA-N 0 1 329.778 3.958 20 10 EHCDMN CC[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(Cl)ccc1[O-] ZINC000866564735 1137364965 /nfs/dbraw/zinc/36/49/65/1137364965.db2.gz AIJXRVBEPHJPPF-LBPRGKRZSA-N 0 1 329.778 3.958 20 10 EHCDMN C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1nc(C(=O)[O-])cs1 ZINC000846778746 1137365360 /nfs/dbraw/zinc/36/53/60/1137365360.db2.gz JYRIEAGIDRTFJF-ZDUSSCGKSA-N 0 1 345.468 3.682 20 10 EHCDMN NC(=O)Nc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000037135990 1137479431 /nfs/dbraw/zinc/47/94/31/1137479431.db2.gz ZPGVOASEDDLUMA-UHFFFAOYSA-N 0 1 326.183 3.802 20 10 EHCDMN CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001172327030 1137547562 /nfs/dbraw/zinc/54/75/62/1137547562.db2.gz CHJHGXWEHOZFTQ-VXGBXAGGSA-N 0 1 330.266 3.838 20 10 EHCDMN C[C@@H](N[C@@H](C)c1cccc(O)c1F)c1ccc(N2CCOCC2)cc1 ZINC000872026096 1137565908 /nfs/dbraw/zinc/56/59/08/1137565908.db2.gz ARJLOQQSNIOOCD-CABCVRRESA-N 0 1 344.430 3.780 20 10 EHCDMN C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(Cl)cc1[O-] ZINC000872109456 1137571620 /nfs/dbraw/zinc/57/16/20/1137571620.db2.gz MZKRDVLLJCADFE-VIFPVBQESA-N 0 1 333.741 3.612 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000825709955 1137609312 /nfs/dbraw/zinc/60/93/12/1137609312.db2.gz DIHZONPDEXTFBQ-SECBINFHSA-N 0 1 338.167 3.929 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000825709955 1137609313 /nfs/dbraw/zinc/60/93/13/1137609313.db2.gz DIHZONPDEXTFBQ-SECBINFHSA-N 0 1 338.167 3.929 20 10 EHCDMN CN(C)c1ccc(CN(C)Cc2ccccc2OCCCCO)cc1 ZINC000876511858 1137654425 /nfs/dbraw/zinc/65/44/25/1137654425.db2.gz VVMZHYNXRWYNCR-UHFFFAOYSA-N 0 1 342.483 3.536 20 10 EHCDMN CC(C)[N@@H+](Cc1ccco1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876567335 1137655758 /nfs/dbraw/zinc/65/57/58/1137655758.db2.gz IQGUEHGQWBSUMF-UHFFFAOYSA-N 0 1 328.456 3.651 20 10 EHCDMN Oc1c(CN2CCCC[C@@H]2c2noc(C3CC3)n2)ccc(F)c1F ZINC000876628340 1137657648 /nfs/dbraw/zinc/65/76/48/1137657648.db2.gz PLIQHNXIVQXXDW-CYBMUJFWSA-N 0 1 335.354 3.658 20 10 EHCDMN Cc1ccc(CN(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c(O)c1 ZINC000876660758 1137658556 /nfs/dbraw/zinc/65/85/56/1137658556.db2.gz HBLMHQCIRWEUPK-FQEVSTJZSA-N 0 1 339.414 3.795 20 10 EHCDMN CC[N@H+](CCC[C@@H]1CCO1)Cc1cc(Br)ccc1[O-] ZINC000876794005 1137661491 /nfs/dbraw/zinc/66/14/91/1137661491.db2.gz KGSSLPJOBOJRMJ-CQSZACIVSA-N 0 1 328.250 3.546 20 10 EHCDMN CC[N@@H+](CCC[C@@H]1CCO1)Cc1cc(Br)ccc1[O-] ZINC000876794005 1137661492 /nfs/dbraw/zinc/66/14/92/1137661492.db2.gz KGSSLPJOBOJRMJ-CQSZACIVSA-N 0 1 328.250 3.546 20 10 EHCDMN CC[N@H+](CCC[C@H]1CCO1)Cc1cc(Br)ccc1[O-] ZINC000876794004 1137661579 /nfs/dbraw/zinc/66/15/79/1137661579.db2.gz KGSSLPJOBOJRMJ-AWEZNQCLSA-N 0 1 328.250 3.546 20 10 EHCDMN CC[N@@H+](CCC[C@H]1CCO1)Cc1cc(Br)ccc1[O-] ZINC000876794004 1137661580 /nfs/dbraw/zinc/66/15/80/1137661580.db2.gz KGSSLPJOBOJRMJ-AWEZNQCLSA-N 0 1 328.250 3.546 20 10 EHCDMN Oc1cc(Br)ccc1CN1CCC[C@@H]1c1ccncc1 ZINC000825903787 1137661718 /nfs/dbraw/zinc/66/17/18/1137661718.db2.gz RPSUXEREEWDYJM-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN C[C@@H]1CN(c2ccc(NCc3ccc(F)c(F)c3O)cc2)C[C@H](C)O1 ZINC000876854366 1137663640 /nfs/dbraw/zinc/66/36/40/1137663640.db2.gz RQHRVKXOPIADIA-BETUJISGSA-N 0 1 348.393 3.896 20 10 EHCDMN O=C(c1ccc(NCc2ccc(F)c(F)c2O)cc1)N1CCCC1 ZINC000877494820 1137678525 /nfs/dbraw/zinc/67/85/25/1137678525.db2.gz UUNBMYVWBPBBKB-UHFFFAOYSA-N 0 1 332.350 3.519 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2c(Cl)cncc2Cl)c1 ZINC000877533725 1137680115 /nfs/dbraw/zinc/68/01/15/1137680115.db2.gz QTCNUNMKJLTBQL-SECBINFHSA-N 0 1 327.211 3.953 20 10 EHCDMN OC1CCN(c2ccc(CNc3ccc4cnccc4c3)cc2)CC1 ZINC000877578168 1137681888 /nfs/dbraw/zinc/68/18/88/1137681888.db2.gz XHVYHSRNPHWYIJ-UHFFFAOYSA-N 0 1 333.435 3.808 20 10 EHCDMN C[NH+](C)[C@H]1CCOc2c(NCc3cc(F)cc(F)c3[O-])cccc21 ZINC000883106098 1137844730 /nfs/dbraw/zinc/84/47/30/1137844730.db2.gz HZMNFDABELFVGI-INIZCTEOSA-N 0 1 334.366 3.668 20 10 EHCDMN CCCCNC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000216480929 1137980853 /nfs/dbraw/zinc/98/08/53/1137980853.db2.gz WQKMWLBFEABGRS-KRWDZBQOSA-N 0 1 340.467 3.872 20 10 EHCDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000178728881 1139715341 /nfs/dbraw/zinc/71/53/41/1139715341.db2.gz ORRPELIHJLHMIF-CYBMUJFWSA-N 0 1 329.400 3.520 20 10 EHCDMN COc1ccc(O)c(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000180396334 1139830713 /nfs/dbraw/zinc/83/07/13/1139830713.db2.gz CUKYRBXTGXYMOB-ORAYPTAESA-N 0 1 331.387 3.502 20 10 EHCDMN CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000182555030 1139979613 /nfs/dbraw/zinc/97/96/13/1139979613.db2.gz YVCWCJARESKCRZ-NSHDSACASA-N 0 1 344.386 3.543 20 10 EHCDMN C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000184855505 1140122938 /nfs/dbraw/zinc/12/29/38/1140122938.db2.gz CSBUVUONEKROMD-BZNIZROVSA-N 0 1 336.229 3.539 20 10 EHCDMN C[C@@H]([NH2+]CCc1nccs1)c1cc(Br)ccc1[O-] ZINC000185247819 1140141128 /nfs/dbraw/zinc/14/11/28/1140141128.db2.gz XIJNXHQOCTYTEE-SECBINFHSA-N 0 1 327.247 3.505 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777440496 1140290748 /nfs/dbraw/zinc/29/07/48/1140290748.db2.gz XYTPPGMATHNCCA-OAHLLOKOSA-N 0 1 340.261 3.546 20 10 EHCDMN Cc1oc(C(=O)[O-])cc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000738958217 600142843 /nfs/dbraw/zinc/14/28/43/600142843.db2.gz WIYVTJOEDJRKOX-UHFFFAOYSA-N 0 1 341.363 3.787 20 10 EHCDMN Cc1oc(C(=O)[O-])cc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000738958217 600142847 /nfs/dbraw/zinc/14/28/47/600142847.db2.gz WIYVTJOEDJRKOX-UHFFFAOYSA-N 0 1 341.363 3.787 20 10 EHCDMN C/C(=C/C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000833382238 605076573 /nfs/dbraw/zinc/07/65/73/605076573.db2.gz IANFDQJBKANCNS-RTYFKUQISA-N 0 1 325.408 3.986 20 10 EHCDMN CCC[N@@H+](Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccccc1O ZINC001595891620 982927615 /nfs/dbraw/zinc/92/76/15/982927615.db2.gz WNTORBBBQKCAEK-UHFFFAOYSA-N 0 1 342.439 3.640 20 10 EHCDMN CCc1cccc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1O ZINC001597587170 988409339 /nfs/dbraw/zinc/40/93/39/988409339.db2.gz RDLWSXSZWYEJFG-HNNXBMFYSA-N 0 1 327.424 3.678 20 10 EHCDMN CC[C@@H](N[C@@H](CC)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000274882395 1015566448 /nfs/dbraw/zinc/56/64/48/1015566448.db2.gz HTQCHLZHBYEUDN-JKSUJKDBSA-N 0 1 328.460 3.902 20 10 EHCDMN CC[C@H]([NH2+]Cc1cnn(CC)c1)c1cc(Br)ccc1[O-] ZINC000274898541 1015602235 /nfs/dbraw/zinc/60/22/35/1015602235.db2.gz KQSOUWDTVGDOHX-AWEZNQCLSA-N 0 1 338.249 3.612 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1cc(Br)ccc1[O-] ZINC000381707094 1016801826 /nfs/dbraw/zinc/80/18/26/1016801826.db2.gz QOLBCQXDZUOCDC-HIFRSBDPSA-N 0 1 330.266 3.866 20 10 EHCDMN CCOC(=O)C1(C)CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925726 1016899475 /nfs/dbraw/zinc/89/94/75/1016899475.db2.gz VHKFJZSLJRGLRW-UHFFFAOYSA-N 0 1 338.879 3.571 20 10 EHCDMN Cc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000728697202 1017691801 /nfs/dbraw/zinc/69/18/01/1017691801.db2.gz KFXVPDNMDARCCX-QGOAFFKASA-N 0 1 344.370 3.716 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000228554561 1032736197 /nfs/dbraw/zinc/73/61/97/1032736197.db2.gz IJPAYKSFDGZBQC-GXFFZTMASA-N 0 1 330.291 3.949 20 10 EHCDMN CC[C@@H]([NH2+]CC(C)(C)COC)c1cc(Br)ccc1[O-] ZINC000311978915 1018247487 /nfs/dbraw/zinc/24/74/87/1018247487.db2.gz MJJRJWFQFUXCHC-CYBMUJFWSA-N 0 1 330.266 3.868 20 10 EHCDMN CC[C@@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1cc(Br)ccc1[O-] ZINC000155962316 1020349191 /nfs/dbraw/zinc/34/91/91/1020349191.db2.gz JNPCDGXLXNPNFK-JTNHKYCSSA-N 0 1 330.266 3.602 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH+]1CCc2ccccc2CC1 ZINC000707141316 1021258486 /nfs/dbraw/zinc/25/84/86/1021258486.db2.gz AMCQCHWJOPMCTM-UHFFFAOYSA-N 0 1 332.241 3.756 20 10 EHCDMN COc1ccc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)c(O)c1OC ZINC000891608967 1022097399 /nfs/dbraw/zinc/09/73/99/1022097399.db2.gz ZLRXZFBZCNPKNW-NSHDSACASA-N 0 1 337.366 3.881 20 10 EHCDMN COc1ccc(CN(C)[C@@H](C)c2cc(F)ccc2F)c(O)c1OC ZINC000891608967 1022097409 /nfs/dbraw/zinc/09/74/09/1022097409.db2.gz ZLRXZFBZCNPKNW-NSHDSACASA-N 0 1 337.366 3.881 20 10 EHCDMN COC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894952316 1022291670 /nfs/dbraw/zinc/29/16/70/1022291670.db2.gz IYLHUMUSGSFNHW-NSHDSACASA-N 0 1 346.240 3.542 20 10 EHCDMN COc1ccc(CN2CC(c3cccc(Cl)c3)C2)c(O)c1OC ZINC000894743298 1022840960 /nfs/dbraw/zinc/84/09/60/1022840960.db2.gz QFDQMNDYGLEIQT-UHFFFAOYSA-N 0 1 333.815 3.662 20 10 EHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000895149437 1025129263 /nfs/dbraw/zinc/12/92/63/1025129263.db2.gz HBVIPBJMTZOWSR-GFCCVEGCSA-N 0 1 336.151 3.525 20 10 EHCDMN CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113325439 1026549133 /nfs/dbraw/zinc/54/91/33/1026549133.db2.gz MDMCYTXPYPWELL-UHFFFAOYSA-N 0 1 347.846 3.865 20 10 EHCDMN Cc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)oc1C ZINC000281999378 1026584007 /nfs/dbraw/zinc/58/40/07/1026584007.db2.gz CVVUUJOUSBOXLR-AWEZNQCLSA-N 0 1 346.446 3.847 20 10 EHCDMN Oc1c(Br)cc(Cl)cc1CN1CCC(F)(F)C1 ZINC000708075094 1026699036 /nfs/dbraw/zinc/69/90/36/1026699036.db2.gz JAHFZFBMKLIQJQ-UHFFFAOYSA-N 0 1 326.568 3.649 20 10 EHCDMN CC[C@H](C)NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176677038 1029656467 /nfs/dbraw/zinc/65/64/67/1029656467.db2.gz RMENQSPRQKBPAE-IRXDYDNUSA-N 0 1 340.467 3.870 20 10 EHCDMN CC(C)O[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000404586965 1029810845 /nfs/dbraw/zinc/81/08/45/1029810845.db2.gz VDPOCZSNXPNYNH-CYBMUJFWSA-N 0 1 328.250 3.544 20 10 EHCDMN COC(=O)c1coc([C@@H](C)NCc2ccc(N3CCCC3)cc2)c1 ZINC000278328421 1030182860 /nfs/dbraw/zinc/18/28/60/1030182860.db2.gz VZQKPIZCPJQWCT-CQSZACIVSA-N 0 1 328.412 3.517 20 10 EHCDMN CCOc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)cc1)CCO2 ZINC000178377168 1031689211 /nfs/dbraw/zinc/68/92/11/1031689211.db2.gz GQHJKHOEOVKEIZ-LJQANCHMSA-N 0 1 326.440 3.765 20 10 EHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1[O-] ZINC000371544444 1033635822 /nfs/dbraw/zinc/63/58/22/1033635822.db2.gz FOGACHYGPBEICO-HNAYVOBHSA-N 0 1 343.398 3.601 20 10 EHCDMN C[C@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1O ZINC000186631806 1035675992 /nfs/dbraw/zinc/67/59/92/1035675992.db2.gz RWLPKWOKGULMFC-ORAYPTAESA-N 0 1 325.387 3.705 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)CN(C)C(C)C)c1cc(Br)ccc1[O-] ZINC000312852596 1035717741 /nfs/dbraw/zinc/71/77/41/1035717741.db2.gz GLMMXKCXYIHXBB-DOMZBBRYSA-N 0 1 343.309 3.924 20 10 EHCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)NC(C)(C)C ZINC000178093691 1035734735 /nfs/dbraw/zinc/73/47/35/1035734735.db2.gz GZDXEYLWGROQJH-LSDHHAIUSA-N 0 1 349.494 3.770 20 10 EHCDMN Cn1cc([C@H](NCc2cc(Cl)ccc2O)c2ccc(F)cc2)cn1 ZINC000187516295 1035835635 /nfs/dbraw/zinc/83/56/35/1035835635.db2.gz HCPFAXJESFDVKT-GOSISDBHSA-N 0 1 345.805 3.797 20 10 EHCDMN CC(=O)NC1CCC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000753592000 1036850541 /nfs/dbraw/zinc/85/05/41/1036850541.db2.gz VNSHTWGPSZGOQU-UHFFFAOYSA-N 0 1 345.270 3.578 20 10 EHCDMN CCCN(Cc1ccccc1O)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000157288523 1037345579 /nfs/dbraw/zinc/34/55/79/1037345579.db2.gz ISOGPQNBLVEZLO-MRXNPFEDSA-N 0 1 336.439 3.946 20 10 EHCDMN CCOCc1cc(CN[C@@H](CO)c2ccc(Cl)cc2)ccc1OC ZINC000271432595 1037900826 /nfs/dbraw/zinc/90/08/26/1037900826.db2.gz BLALLUGCINTCOX-SFHVURJKSA-N 0 1 349.858 3.708 20 10 EHCDMN CC(C)c1cccc(NC(=S)NCc2cc(N(C)C)ccn2)c1 ZINC000905617071 1039003426 /nfs/dbraw/zinc/00/34/26/1039003426.db2.gz BFJKGAGEFKVZTG-UHFFFAOYSA-N 0 1 328.485 3.758 20 10 EHCDMN CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000927138564 1039318373 /nfs/dbraw/zinc/31/83/73/1039318373.db2.gz GDXMDJLASHTNPN-SECBINFHSA-N 0 1 339.233 3.864 20 10 EHCDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)Cc3ccc(N)cc3)n2)cc1 ZINC000150772284 1040023920 /nfs/dbraw/zinc/02/39/20/1040023920.db2.gz NBZVHBHJFAEJNO-UHFFFAOYSA-N 0 1 349.438 3.533 20 10 EHCDMN COc1ccccc1N1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000197171109 1041631751 /nfs/dbraw/zinc/63/17/51/1041631751.db2.gz QDEMNFIVUWHCKC-UHFFFAOYSA-N 0 1 348.446 3.876 20 10 EHCDMN CC[C@H]([NH2+][C@H]1COCC1(C)C)c1cc(Br)ccc1[O-] ZINC000313024554 1041749708 /nfs/dbraw/zinc/74/97/08/1041749708.db2.gz LZZGEAAXJOREGC-JSGCOSHPSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cn1 ZINC000279671215 1044392076 /nfs/dbraw/zinc/39/20/76/1044392076.db2.gz HTPJBCXJFHUNRY-NSHDSACASA-N 0 1 333.229 3.630 20 10 EHCDMN CC(=O)c1cc(F)cc(CN[C@@H](c2ncc(C)s2)C2CC2)c1O ZINC000185334661 1126868385 /nfs/dbraw/zinc/86/83/85/1126868385.db2.gz KZFMXWJFAFKZPN-OAHLLOKOSA-N 0 1 334.416 3.740 20 10 EHCDMN CCN(CC)c1ccc(CNCc2ccnn2C2CCC2)cc1F ZINC000921714414 1128660907 /nfs/dbraw/zinc/66/09/07/1128660907.db2.gz FVEWVGXGHNPBOU-UHFFFAOYSA-N 0 1 330.451 3.883 20 10 EHCDMN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)cc1OC ZINC000179903769 1123894731 /nfs/dbraw/zinc/89/47/31/1123894731.db2.gz JVMYYBRKTHIAFD-MRXNPFEDSA-N 0 1 331.387 3.886 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c(Cl)c1 ZINC000922534518 1129564243 /nfs/dbraw/zinc/56/42/43/1129564243.db2.gz VEZPZTUTWBRFBT-RHDGDCLCSA-N 0 1 331.843 3.536 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922583576 1129583411 /nfs/dbraw/zinc/58/34/11/1129583411.db2.gz YLKPMLWGKDTOKH-MRXNPFEDSA-N 0 1 333.229 3.791 20 10 EHCDMN Oc1cccc(Br)c1CN[C@@H](c1ccccn1)C1CC1 ZINC000922583576 1129583413 /nfs/dbraw/zinc/58/34/13/1129583413.db2.gz YLKPMLWGKDTOKH-MRXNPFEDSA-N 0 1 333.229 3.791 20 10 EHCDMN CC[C@@H](C)C[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000732182668 1130894854 /nfs/dbraw/zinc/89/48/54/1130894854.db2.gz HJRLNHKVVSNICF-CQSZACIVSA-N 0 1 327.424 3.807 20 10 EHCDMN Cc1ccccc1[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000742161269 1131694780 /nfs/dbraw/zinc/69/47/80/1131694780.db2.gz IMNSZTJYRQVZIW-OAQYLSRUSA-N 0 1 334.419 3.822 20 10 EHCDMN Cc1ccccc1[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000742161269 1131694782 /nfs/dbraw/zinc/69/47/82/1131694782.db2.gz IMNSZTJYRQVZIW-OAQYLSRUSA-N 0 1 334.419 3.822 20 10 EHCDMN COc1ccc(N2CCN(Cc3ccc(C)cc3C)CC2)c(OC)c1 ZINC001175522141 1132698188 /nfs/dbraw/zinc/69/81/88/1132698188.db2.gz DIOZUWUZJVRJIE-UHFFFAOYSA-N 0 1 340.467 3.643 20 10 EHCDMN COCc1ccccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691431008 1132852488 /nfs/dbraw/zinc/85/24/88/1132852488.db2.gz VLPVYIZHJIMDMD-UHFFFAOYSA-N 0 1 336.229 3.591 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2nc(Cl)ccc2Cl)c1 ZINC000766851005 1132871111 /nfs/dbraw/zinc/87/11/11/1132871111.db2.gz ASFSTSYSKVHSLP-SECBINFHSA-N 0 1 327.211 3.953 20 10 EHCDMN COCC[C@@H]1CCCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000768540472 1133153276 /nfs/dbraw/zinc/15/32/76/1133153276.db2.gz HWZCCZWDSMGTJI-ZDUSSCGKSA-N 0 1 342.277 3.793 20 10 EHCDMN COCC[C@@H]1CCCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000768540472 1133153279 /nfs/dbraw/zinc/15/32/79/1133153279.db2.gz HWZCCZWDSMGTJI-ZDUSSCGKSA-N 0 1 342.277 3.793 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)c(Cl)c1 ZINC001178342096 1133157339 /nfs/dbraw/zinc/15/73/39/1133157339.db2.gz CINPUVBEKORGPJ-FHBSJOOWSA-N 0 1 339.863 3.765 20 10 EHCDMN C[C@H]1c2c(F)cccc2CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000769426099 1133282322 /nfs/dbraw/zinc/28/23/22/1133282322.db2.gz SFOBZGPVYXRJOA-INIZCTEOSA-N 0 1 340.442 3.782 20 10 EHCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000769474009 1133298608 /nfs/dbraw/zinc/29/86/08/1133298608.db2.gz QVMLTQFAVCTURV-QRWLVFNGSA-N 0 1 328.431 3.854 20 10 EHCDMN CN(C)c1cccc(C[N@@H+](C)Cc2cccc(Br)c2[O-])c1 ZINC000769537529 1133311124 /nfs/dbraw/zinc/31/11/24/1133311124.db2.gz LSCBDMSFKSUTSA-UHFFFAOYSA-N 0 1 349.272 3.853 20 10 EHCDMN Oc1ccccc1CN(Cc1cccn1C(F)F)C[C@H]1CCCO1 ZINC001180431259 1133368577 /nfs/dbraw/zinc/36/85/77/1133368577.db2.gz WPGAHENYXZWONQ-MRXNPFEDSA-N 0 1 336.382 3.770 20 10 EHCDMN [O-]c1c(F)cc(F)cc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC001180573697 1133388045 /nfs/dbraw/zinc/38/80/45/1133388045.db2.gz BCQUFRXHPLXYDW-CQSZACIVSA-N 0 1 339.407 3.913 20 10 EHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2c(O)cccc2F)cc1 ZINC000771854705 1133608665 /nfs/dbraw/zinc/60/86/65/1133608665.db2.gz DPOWHUUZVOMHGB-UHFFFAOYSA-N 0 1 330.403 3.650 20 10 EHCDMN CC[N@@H+](CCOc1ccccc1OC)Cc1cc(F)c(F)cc1[O-] ZINC001183082979 1133762896 /nfs/dbraw/zinc/76/28/96/1133762896.db2.gz BDOISANAZMFDPT-UHFFFAOYSA-N 0 1 337.366 3.580 20 10 EHCDMN CCc1cccc(CN2CCO[C@H](c3ccc(OC)cc3)C2)c1O ZINC001183363758 1133795327 /nfs/dbraw/zinc/79/53/27/1133795327.db2.gz MKQRTCGAUUHLQR-IBGZPJMESA-N 0 1 327.424 3.537 20 10 EHCDMN CC[C@@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1cc(Cl)ccc1[O-] ZINC000786575788 1133876929 /nfs/dbraw/zinc/87/69/29/1133876929.db2.gz MSGQSAHXFPUCCS-FUHWJXTLSA-N 0 1 333.859 3.998 20 10 EHCDMN CC(C)[C@H](NCc1cccc(Br)c1O)C(F)(F)F ZINC000786840731 1133917176 /nfs/dbraw/zinc/91/71/76/1133917176.db2.gz MEEUPHRTQAWJMU-NSHDSACASA-N 0 1 326.156 3.831 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]2c2ccccc2C)ccc1[N+](=O)[O-] ZINC000774831920 1134040276 /nfs/dbraw/zinc/04/02/76/1134040276.db2.gz FMGNDCUAZOHCIR-INIZCTEOSA-N 0 1 342.395 3.955 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2c2ccccc2C)ccc1[N+](=O)[O-] ZINC000774831920 1134040283 /nfs/dbraw/zinc/04/02/83/1134040283.db2.gz FMGNDCUAZOHCIR-INIZCTEOSA-N 0 1 342.395 3.955 20 10 EHCDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1OC ZINC000775080957 1134291511 /nfs/dbraw/zinc/29/15/11/1134291511.db2.gz VTGSETVVNCUMOK-KRWDZBQOSA-N 0 1 331.387 3.983 20 10 EHCDMN CC(C)(C)c1nc2cc(NC(=O)c3c(F)ccc(O)c3O)ccc2o1 ZINC000789954226 1134351411 /nfs/dbraw/zinc/35/14/11/1134351411.db2.gz ZTRDRZHKBUEKMH-UHFFFAOYSA-N 0 1 344.342 3.928 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000775136874 1134364402 /nfs/dbraw/zinc/36/44/02/1134364402.db2.gz NKRIHSLEEGPWJW-VIFPVBQESA-N 0 1 338.167 3.929 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000775136874 1134364409 /nfs/dbraw/zinc/36/44/09/1134364409.db2.gz NKRIHSLEEGPWJW-VIFPVBQESA-N 0 1 338.167 3.929 20 10 EHCDMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000790048961 1134365396 /nfs/dbraw/zinc/36/53/96/1134365396.db2.gz CKWWSBMNKGCDGI-UHFFFAOYSA-N 0 1 325.817 3.799 20 10 EHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000790410761 1134412792 /nfs/dbraw/zinc/41/27/92/1134412792.db2.gz CHKLNSGMPBUBIV-UHFFFAOYSA-N 0 1 341.816 3.554 20 10 EHCDMN Cc1c(C[N@H+](C)Cc2cc3oc4ccccc4c3cc2[O-])cnn1C ZINC000790417182 1134413418 /nfs/dbraw/zinc/41/34/18/1134413418.db2.gz HCHADEHNPQQFHP-UHFFFAOYSA-N 0 1 335.407 3.966 20 10 EHCDMN Cc1c(C[N@@H+](C)Cc2cc3oc4ccccc4c3cc2[O-])cnn1C ZINC000790417182 1134413420 /nfs/dbraw/zinc/41/34/20/1134413420.db2.gz HCHADEHNPQQFHP-UHFFFAOYSA-N 0 1 335.407 3.966 20 10 EHCDMN Cc1c(CN(C)Cc2cc3oc4ccccc4c3cc2O)cnn1C ZINC000790417182 1134413422 /nfs/dbraw/zinc/41/34/22/1134413422.db2.gz HCHADEHNPQQFHP-UHFFFAOYSA-N 0 1 335.407 3.966 20 10 EHCDMN Cc1c(C[N@H+](C)Cc2c3c(ccc2[O-])oc2c3CCCC2)cnn1C ZINC000790418747 1134414130 /nfs/dbraw/zinc/41/41/30/1134414130.db2.gz YEYRCWCGDUZNSY-UHFFFAOYSA-N 0 1 339.439 3.691 20 10 EHCDMN Cc1c(C[N@@H+](C)Cc2c3c(ccc2[O-])oc2c3CCCC2)cnn1C ZINC000790418747 1134414132 /nfs/dbraw/zinc/41/41/32/1134414132.db2.gz YEYRCWCGDUZNSY-UHFFFAOYSA-N 0 1 339.439 3.691 20 10 EHCDMN CCc1ccc([C@H]2COCCN2Cc2c(O)ccc(Cl)c2F)o1 ZINC000792165488 1134661732 /nfs/dbraw/zinc/66/17/32/1134661732.db2.gz GVUPGMBVCCWSMY-CQSZACIVSA-N 0 1 339.794 3.914 20 10 EHCDMN O=C(C1CCN(Cc2c(O)ccc(Cl)c2F)CC1)C(F)(F)F ZINC000792174498 1134663581 /nfs/dbraw/zinc/66/35/81/1134663581.db2.gz IHMTYGVVHZYXRN-UHFFFAOYSA-N 0 1 339.716 3.528 20 10 EHCDMN C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000793220318 1134876904 /nfs/dbraw/zinc/87/69/04/1134876904.db2.gz NECGMQQZXOCIFT-OCAPTIKFSA-N 0 1 349.066 3.900 20 10 EHCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000793220318 1134876912 /nfs/dbraw/zinc/87/69/12/1134876912.db2.gz 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CC[C@H](C[C@H](C)CO)[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000775514046 1134984468 /nfs/dbraw/zinc/98/44/68/1134984468.db2.gz UIRBLWDUIVICOB-NJZAAPMLSA-N 0 1 344.293 3.993 20 10 EHCDMN CC[C@H]([NH2+][C@@H](CO)c1ccccc1OC)c1cc(Cl)ccc1[O-] ZINC000775523282 1135000698 /nfs/dbraw/zinc/00/06/98/1135000698.db2.gz HKOWFLKFWCEBEC-HOTGVXAUSA-N 0 1 335.831 3.829 20 10 EHCDMN CC[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775522893 1135001755 /nfs/dbraw/zinc/00/17/55/1135001755.db2.gz AZRXNZNQZRDVKQ-HKUYNNGSSA-N 0 1 331.843 3.920 20 10 EHCDMN O=C(Nc1ccnc(Cl)c1Cl)c1cc(O)c(O)c(Cl)c1 ZINC001193589379 1135156028 /nfs/dbraw/zinc/15/60/28/1135156028.db2.gz JQGYNOKLBGAJJG-UHFFFAOYSA-N 0 1 333.558 3.705 20 10 EHCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCc2c3ccccc3oc2C1 ZINC001193612475 1135158517 /nfs/dbraw/zinc/15/85/17/1135158517.db2.gz PADQLESHCYGJTQ-UHFFFAOYSA-N 0 1 343.766 3.696 20 10 EHCDMN Cc1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)cc2scnc21 ZINC001193624657 1135160149 /nfs/dbraw/zinc/16/01/49/1135160149.db2.gz 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335.366 3.503 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209121 1135943687 /nfs/dbraw/zinc/94/36/87/1135943687.db2.gz MFHKHGOXUXESJG-FZMZJTMJSA-N 0 1 327.350 3.737 20 10 EHCDMN Clc1cnn([C@@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC000811520749 1136097877 /nfs/dbraw/zinc/09/78/77/1136097877.db2.gz UJOCCNVBUROGGY-LJQANCHMSA-N 0 1 344.890 3.974 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Cl ZINC000825537353 1136165015 /nfs/dbraw/zinc/16/50/15/1136165015.db2.gz WLLJLGLEEOBGDT-LJQANCHMSA-N 0 1 329.827 3.985 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Cl ZINC000825537353 1136165019 /nfs/dbraw/zinc/16/50/19/1136165019.db2.gz WLLJLGLEEOBGDT-LJQANCHMSA-N 0 1 329.827 3.985 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000812780207 1136246347 /nfs/dbraw/zinc/24/63/47/1136246347.db2.gz WKBLCAJGSAEGEZ-FQEVSTJZSA-N 0 1 345.870 3.863 20 10 EHCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](C)[C@@H](O)c1ccccc1 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CC(C)n1ncc2c1C[C@H]([NH2+]Cc1ccc3ccccc3c1[O-])CC2 ZINC000816591163 1136734680 /nfs/dbraw/zinc/73/46/80/1136734680.db2.gz WSASRVPBCSANGZ-GOSISDBHSA-N 0 1 335.451 3.970 20 10 EHCDMN O=C1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CN1C1CCCCC1 ZINC000816568210 1136738450 /nfs/dbraw/zinc/73/84/50/1136738450.db2.gz AJQJHIPODRQVPY-KRWDZBQOSA-N 0 1 338.451 3.569 20 10 EHCDMN [O-]c1c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc2ccccc12 ZINC000816607667 1136741037 /nfs/dbraw/zinc/74/10/37/1136741037.db2.gz BHORWTOLGBERIK-ZBFHGGJFSA-N 0 1 339.357 3.538 20 10 EHCDMN [O-]c1c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc2ccccc12 ZINC000816607667 1136741040 /nfs/dbraw/zinc/74/10/40/1136741040.db2.gz BHORWTOLGBERIK-ZBFHGGJFSA-N 0 1 339.357 3.538 20 10 EHCDMN Cc1nsc(C)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000816681680 1136748331 /nfs/dbraw/zinc/74/83/31/1136748331.db2.gz DIJUCOQMIHLEII-UHFFFAOYSA-N 0 1 331.224 3.702 20 10 EHCDMN CC[C@@H]([NH2+]CC1(COC)CC1)c1cc(Br)ccc1[O-] ZINC000691809957 1136816607 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[O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000862398375 1137142412 /nfs/dbraw/zinc/14/24/12/1137142412.db2.gz GUGHOWKUZQUBHV-CYBMUJFWSA-N 0 1 333.229 3.539 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000862398375 1137142413 /nfs/dbraw/zinc/14/24/13/1137142413.db2.gz GUGHOWKUZQUBHV-CYBMUJFWSA-N 0 1 333.229 3.539 20 10 EHCDMN CCN(CC)c1ccc(CN(C)Cc2c(C3CC3)cnn2C)cc1 ZINC000824542504 1137143680 /nfs/dbraw/zinc/14/36/80/1137143680.db2.gz URNTZGZFYOMGFB-UHFFFAOYSA-N 0 1 326.488 3.776 20 10 EHCDMN CCOc1ccc(O)c(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825046725 1137162985 /nfs/dbraw/zinc/16/29/85/1137162985.db2.gz XCMKTYVTGCRYDK-AWEZNQCLSA-N 0 1 337.341 3.985 20 10 EHCDMN COc1ccc(C)cc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825085604 1137164874 /nfs/dbraw/zinc/16/48/74/1137164874.db2.gz ZZVXQOXYZMXSML-UHFFFAOYSA-N 0 1 336.229 3.762 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]CCCc2nc3ccccc3[nH]2)cc1Cl ZINC000825160881 1137168585 /nfs/dbraw/zinc/16/85/85/1137168585.db2.gz XHJSUHUEGFRCCD-UHFFFAOYSA-N 0 1 329.831 3.953 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000825188975 1137169653 /nfs/dbraw/zinc/16/96/53/1137169653.db2.gz VAGTYZFRJXUPQQ-UHFFFAOYSA-N 0 1 331.843 3.927 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1Cl ZINC000825376472 1137175758 /nfs/dbraw/zinc/17/57/58/1137175758.db2.gz ZKWGHXPWTPCPDT-AWEZNQCLSA-N 0 1 341.904 3.888 20 10 EHCDMN Cc1csc([C@H](C)C[NH2+]Cc2ccc(Br)cc2[O-])n1 ZINC000825509169 1137180353 /nfs/dbraw/zinc/18/03/53/1137180353.db2.gz GTXLOASGFMBCRY-SECBINFHSA-N 0 1 341.274 3.813 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H]1c1ccco1 ZINC000863916485 1137207363 /nfs/dbraw/zinc/20/73/63/1137207363.db2.gz DZYXATIPUNHFLS-GHMZBOCLSA-N 0 1 326.179 3.712 20 10 EHCDMN Cc1cc(O)c(CNc2ccc(F)c(-c3nc[nH]n3)c2)c(Cl)c1 ZINC000864012037 1137211485 /nfs/dbraw/zinc/21/14/85/1137211485.db2.gz NTVKVPDRJNBJRQ-UHFFFAOYSA-N 0 1 332.766 3.890 20 10 EHCDMN CS(C)(=O)=Nc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864015041 1137211698 /nfs/dbraw/zinc/21/16/98/1137211698.db2.gz BGGPQLPOWAGRKE-UHFFFAOYSA-N 0 1 326.368 3.642 20 10 EHCDMN C[C@H]([NH2+]Cc1cccnc1F)c1cc(Br)ccc1[O-] ZINC000794835158 1137276280 /nfs/dbraw/zinc/27/62/80/1137276280.db2.gz KTYQXEGWCOGFPZ-VIFPVBQESA-N 0 1 325.181 3.540 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000844921847 1137262904 /nfs/dbraw/zinc/26/29/04/1137262904.db2.gz VOAZPGAYPNLMJQ-BXUZGUMPSA-N 0 1 347.256 3.842 20 10 EHCDMN Cc1ncccc1C[N@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144307614 1137270962 /nfs/dbraw/zinc/27/09/62/1137270962.db2.gz BVQGYZCKLBCPQA-UHFFFAOYSA-N 0 1 339.208 3.629 20 10 EHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(C(=O)OC)cc1F ZINC001144450161 1137295426 /nfs/dbraw/zinc/29/54/26/1137295426.db2.gz IEBFOVCFQQQPLI-UHFFFAOYSA-N 0 1 344.430 3.700 20 10 EHCDMN CC(C)(C)c1ccc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC000865814004 1137313697 /nfs/dbraw/zinc/31/36/97/1137313697.db2.gz DZVPGNNHOFBAQO-UHFFFAOYSA-N 0 1 328.456 3.704 20 10 EHCDMN COc1ccc(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)nc1 ZINC000845995409 1137327308 /nfs/dbraw/zinc/32/73/08/1137327308.db2.gz AVUJTYQEKVDQJQ-UHFFFAOYSA-N 0 1 332.831 3.829 20 10 EHCDMN CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000846203610 1137341677 /nfs/dbraw/zinc/34/16/77/1137341677.db2.gz UJGPNIJXTSTBSW-PSOPSSQASA-N 0 1 328.250 3.763 20 10 EHCDMN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1ccnn1C ZINC000866613000 1137369137 /nfs/dbraw/zinc/36/91/37/1137369137.db2.gz QIMUCRRWPSVTTN-GJZGRUSLSA-N 0 1 330.451 3.961 20 10 EHCDMN Cc1ccc(O)c([C@H](C)NCc2ncc(Br)s2)c1 ZINC000714929105 1137474314 /nfs/dbraw/zinc/47/43/14/1137474314.db2.gz HHPZECBBSRLSPL-VIFPVBQESA-N 0 1 327.247 3.770 20 10 EHCDMN COc1ccc(Br)cc1CNCc1ccc(N(C)C)cc1 ZINC000037301298 1137487683 /nfs/dbraw/zinc/48/76/83/1137487683.db2.gz LVKICOZVMPHOHG-UHFFFAOYSA-N 0 1 349.272 3.814 20 10 EHCDMN COCC(C)(C)CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000872104359 1137571129 /nfs/dbraw/zinc/57/11/29/1137571129.db2.gz BQPXOWKZFDRALS-LLVKDONJSA-N 0 1 330.266 3.868 20 10 EHCDMN Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1Cl ZINC000825752453 1137624882 /nfs/dbraw/zinc/62/48/82/1137624882.db2.gz AWLOQQVQACJIEM-QWQRMKEZSA-N 0 1 339.863 3.512 20 10 EHCDMN CCOC1CC2(C1)CC[N@H+](Cc1ccc(Br)cc1[O-])C2 ZINC000825893350 1137659299 /nfs/dbraw/zinc/65/92/99/1137659299.db2.gz WURHUGNYSUGCAU-UHFFFAOYSA-N 0 1 340.261 3.546 20 10 EHCDMN CCOC1CC2(C1)CC[N@@H+](Cc1ccc(Br)cc1[O-])C2 ZINC000825893350 1137659300 /nfs/dbraw/zinc/65/93/00/1137659300.db2.gz WURHUGNYSUGCAU-UHFFFAOYSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000825903894 1137662262 /nfs/dbraw/zinc/66/22/62/1137662262.db2.gz VPDHBRPGJWZYLS-UHFFFAOYSA-N 0 1 347.256 3.929 20 10 EHCDMN COC(=O)[C@@H](C)Cc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877349098 1137674725 /nfs/dbraw/zinc/67/47/25/1137674725.db2.gz ZETJJBQMVWCKPR-NSHDSACASA-N 0 1 335.350 3.634 20 10 EHCDMN Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC000877617015 1137683151 /nfs/dbraw/zinc/68/31/51/1137683151.db2.gz QQOQUGNOOGGTAS-GDBMZVCRSA-N 0 1 334.460 3.578 20 10 EHCDMN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826029278 1137706867 /nfs/dbraw/zinc/70/68/67/1137706867.db2.gz CANRYNSZPNFZJV-LLVKDONJSA-N 0 1 325.758 3.801 20 10 EHCDMN Cc1cc(O)c(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1Cl ZINC000826043400 1137717163 /nfs/dbraw/zinc/71/71/63/1137717163.db2.gz IVSVZACLJLIBLQ-LPHOPBHVSA-N 0 1 349.833 3.654 20 10 EHCDMN C[C@H](c1ccccc1F)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000129722744 1137829479 /nfs/dbraw/zinc/82/94/79/1137829479.db2.gz OUTCMKUOQBMHMB-OAHLLOKOSA-N 0 1 346.421 3.994 20 10 EHCDMN CCCN(Cc1cccc(Br)c1O)CC(F)(F)F ZINC000132532917 1137866962 /nfs/dbraw/zinc/86/69/62/1137866962.db2.gz QXYKRFHKUHJDBD-UHFFFAOYSA-N 0 1 326.156 3.929 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1ccc(Cl)cc1[O-] ZINC000886768852 1138136740 /nfs/dbraw/zinc/13/67/40/1138136740.db2.gz JTGYKWLSQDPODX-MLOIPWKLSA-N 0 1 339.863 3.669 20 10 EHCDMN Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2[O-])c1C ZINC000179578329 1139765990 /nfs/dbraw/zinc/76/59/90/1139765990.db2.gz COSMGVOGZGQKBS-UHFFFAOYSA-N 0 1 332.831 3.733 20 10 EHCDMN COc1cc(O)c(CN[C@@H](COCC(C)C)c2ccco2)cc1OC ZINC000181376573 1139902436 /nfs/dbraw/zinc/90/24/36/1139902436.db2.gz QCAKLMQWHNRLQH-HNNXBMFYSA-N 0 1 349.427 3.506 20 10 EHCDMN CC1([C@@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)OCCO1 ZINC000182829246 1139995589 /nfs/dbraw/zinc/99/55/89/1139995589.db2.gz OEEZXJYPPWYGFO-MRXNPFEDSA-N 0 1 327.424 3.520 20 10 EHCDMN CC1([C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)OCCO1 ZINC000182829246 1139995596 /nfs/dbraw/zinc/99/55/96/1139995596.db2.gz OEEZXJYPPWYGFO-MRXNPFEDSA-N 0 1 327.424 3.520 20 10 EHCDMN C[C@@H](C[N@H+](C)Cc1cc(Br)ccc1[O-])c1nccs1 ZINC000183257992 1140025930 /nfs/dbraw/zinc/02/59/30/1140025930.db2.gz WADSWFBSMIAJOE-JTQLQIEISA-N 0 1 341.274 3.847 20 10 EHCDMN C[C@@H](C[N@@H+](C)Cc1cc(Br)ccc1[O-])c1nccs1 ZINC000183257992 1140025935 /nfs/dbraw/zinc/02/59/35/1140025935.db2.gz WADSWFBSMIAJOE-JTQLQIEISA-N 0 1 341.274 3.847 20 10 EHCDMN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000185783353 1140169230 /nfs/dbraw/zinc/16/92/30/1140169230.db2.gz GNYXBVOEJFCEFK-QWRGUYRKSA-N 0 1 328.250 3.620 20 10 EHCDMN Cc1ccc2c(c1)nc(CNCc1cc(Cl)cc(C)c1O)n2C ZINC000187577246 1140261897 /nfs/dbraw/zinc/26/18/97/1140261897.db2.gz RBDLLTZMPRDLBH-UHFFFAOYSA-N 0 1 329.831 3.839 20 10 EHCDMN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1nc(C2CC2)no1 ZINC000187783056 1140271510 /nfs/dbraw/zinc/27/15/10/1140271510.db2.gz JPQOHIDZKDHBAQ-XPTSAGLGSA-N 0 1 337.370 3.979 20 10 EHCDMN CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1cc(Br)ccc1O ZINC000271205552 1141324277 /nfs/dbraw/zinc/32/42/77/1141324277.db2.gz JZFONVNFWOYTSB-UHFFFAOYSA-N 0 1 338.249 3.517 20 10 EHCDMN CC[N@H+](Cc1c(C)n[nH]c1C)Cc1cc(Br)ccc1[O-] ZINC000271205552 1141324283 /nfs/dbraw/zinc/32/42/83/1141324283.db2.gz JZFONVNFWOYTSB-UHFFFAOYSA-N 0 1 338.249 3.517 20 10 EHCDMN CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1cc(Br)ccc1[O-] ZINC000271205552 1141324291 /nfs/dbraw/zinc/32/42/91/1141324291.db2.gz JZFONVNFWOYTSB-UHFFFAOYSA-N 0 1 338.249 3.517 20 10 EHCDMN C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc2ccccc2c1[O-] ZINC000274455323 1141534361 /nfs/dbraw/zinc/53/43/61/1141534361.db2.gz ZMZZRVDBDSPQMT-CYBMUJFWSA-N 0 1 339.464 3.741 20 10 EHCDMN CC[C@@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCS1 ZINC000829148941 600718049 /nfs/dbraw/zinc/71/80/49/600718049.db2.gz BGJBNWYNTDPFQH-CYBMUJFWSA-N 0 1 331.437 3.571 20 10 EHCDMN CCCC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000829277556 600856769 /nfs/dbraw/zinc/85/67/69/600856769.db2.gz XGBFRMCBHDDRJL-ZDUSSCGKSA-N 0 1 344.249 3.620 20 10 EHCDMN Cc1cc(O)c(C[N@@H+](CCC(=O)[O-])Cc2ccncc2)cc1C(C)C ZINC000832898079 601560749 /nfs/dbraw/zinc/56/07/49/601560749.db2.gz BXHQLSYYXBKGOT-UHFFFAOYSA-N 0 1 342.439 3.696 20 10 EHCDMN O=C([O-])c1cccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000833328584 601603206 /nfs/dbraw/zinc/60/32/06/601603206.db2.gz QJFFDWTWFCHHFU-UHFFFAOYSA-N 0 1 337.375 3.886 20 10 EHCDMN Cc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594327014 958181603 /nfs/dbraw/zinc/18/16/03/958181603.db2.gz NDWZNIUYYWRLLF-LSDHHAIUSA-N 0 1 345.826 3.654 20 10 EHCDMN CCOc1cccc(CNCc2nc3cccc(Cl)c3n2C)c1O ZINC000274831703 1015466181 /nfs/dbraw/zinc/46/61/81/1015466181.db2.gz UNIZMMWKBXRYIC-UHFFFAOYSA-N 0 1 345.830 3.621 20 10 EHCDMN COc1cccc([C@@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)c1 ZINC000166163820 1016590454 /nfs/dbraw/zinc/59/04/54/1016590454.db2.gz ULDJWIWMBGIKFW-FQEVSTJZSA-N 0 1 327.424 3.591 20 10 EHCDMN COc1cc(Cl)cc(CNc2cnccc2-n2cc(C)cn2)c1O ZINC000184710690 1032319489 /nfs/dbraw/zinc/31/94/89/1032319489.db2.gz WNHJTHFYBULJID-UHFFFAOYSA-N 0 1 344.802 3.555 20 10 EHCDMN CCC[N@@H+](Cc1ccc(Br)cn1)Cc1ccccc1O ZINC000172532244 1032765331 /nfs/dbraw/zinc/76/53/31/1032765331.db2.gz VWNKQRACYBEORJ-UHFFFAOYSA-N 0 1 335.245 3.962 20 10 EHCDMN CCOCc1cc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)ccc1OC ZINC000276759690 1022645765 /nfs/dbraw/zinc/64/57/65/1022645765.db2.gz ADZMYPJVGXXBRK-KBPBESRZSA-N 0 1 346.475 3.714 20 10 EHCDMN COc1cc2c(cc1N[C@H](C)c1ccc(F)c(F)c1O)NC(=O)CC2 ZINC000276852744 1023217727 /nfs/dbraw/zinc/21/77/27/1023217727.db2.gz BFDLPNMJBUTORF-SECBINFHSA-N 0 1 348.349 3.737 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)ccc2ccccc21 ZINC000896280113 1025314534 /nfs/dbraw/zinc/31/45/34/1025314534.db2.gz LCDOJWOMDRXMNF-HIFRSBDPSA-N 0 1 325.330 3.745 20 10 EHCDMN C/C=C\C[C@H](CO)[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000588513299 1025885793 /nfs/dbraw/zinc/88/57/93/1025885793.db2.gz DZUAALQKIRCCSB-MOBDVTQCSA-N 0 1 328.250 3.523 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000273352955 1027390821 /nfs/dbraw/zinc/39/08/21/1027390821.db2.gz CBKIDSNDULXXSB-WOPDTQHZSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@@H](NCc1cn2ccsc2n1)c1cc2c(cc1O)CCCC2 ZINC000273444824 1027430255 /nfs/dbraw/zinc/43/02/55/1027430255.db2.gz ZTIWYBXGFNUARX-GFCCVEGCSA-N 0 1 327.453 3.831 20 10 EHCDMN C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(Br)cc1[O-] ZINC000273464500 1027441287 /nfs/dbraw/zinc/44/12/87/1027441287.db2.gz ITLNIZBEFOZYRU-LLVKDONJSA-N 0 1 328.250 3.622 20 10 EHCDMN C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(Br)cc1[O-] ZINC000273612628 1027518302 /nfs/dbraw/zinc/51/83/02/1027518302.db2.gz WQRVDPLFOBFKFI-LBPRGKRZSA-N 0 1 342.277 3.748 20 10 EHCDMN CCCN(Cc1ccc(C)cc1)C(=O)CN(C)Cc1ccccc1O ZINC000303369965 1027539005 /nfs/dbraw/zinc/53/90/05/1027539005.db2.gz LCYXPFJKJVYVEN-UHFFFAOYSA-N 0 1 340.467 3.571 20 10 EHCDMN COc1cc2c(cc1OC)C[N@@H+](Cc1cc(C)cc(C)c1O)CC2 ZINC000192459569 1029683742 /nfs/dbraw/zinc/68/37/42/1029683742.db2.gz ASXNTDSHBLGSFT-UHFFFAOYSA-N 0 1 327.424 3.585 20 10 EHCDMN Cc1cccc(NC(=O)CN(C)Cc2cc(C)c(C)cc2O)c1C ZINC000192509373 1029922383 /nfs/dbraw/zinc/92/23/83/1029922383.db2.gz NDCSVPWFCGXPTI-UHFFFAOYSA-N 0 1 326.440 3.696 20 10 EHCDMN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093864050 1030684042 /nfs/dbraw/zinc/68/40/42/1030684042.db2.gz ZLNKXJMQPRFEGU-AWEZNQCLSA-N 0 1 340.254 3.942 20 10 EHCDMN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000721886126 1031459019 /nfs/dbraw/zinc/45/90/19/1031459019.db2.gz HHNVLMMZTQVKBL-XHDPSFHLSA-N 0 1 342.277 3.838 20 10 EHCDMN CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000229574527 1034267824 /nfs/dbraw/zinc/26/78/24/1034267824.db2.gz DVNKTDGXWOFTEC-RISCZKNCSA-N 0 1 328.250 3.622 20 10 EHCDMN COc1cc(Cl)cc(CN2CC(c3nc4ccccc4[nH]3)C2)c1O ZINC000761203497 1034430031 /nfs/dbraw/zinc/43/00/31/1034430031.db2.gz UHGKBPCHFRYWDR-UHFFFAOYSA-N 0 1 343.814 3.530 20 10 EHCDMN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)Cc1ccccc1O ZINC000111235463 1037729501 /nfs/dbraw/zinc/72/95/01/1037729501.db2.gz QCYCUUXABADUIZ-GDBMZVCRSA-N 0 1 344.480 3.638 20 10 EHCDMN Cc1nc2cc(NCc3c(O)cccc3Cl)ccc2n1[C@@H](C)CO ZINC000842216644 1039915082 /nfs/dbraw/zinc/91/50/82/1039915082.db2.gz FLCVGDMKOLHSDF-NSHDSACASA-N 0 1 345.830 3.869 20 10 EHCDMN COc1cnccc1[C@@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000189572488 1040260610 /nfs/dbraw/zinc/26/06/10/1040260610.db2.gz IUDYQBMJNNWJJB-MRXNPFEDSA-N 0 1 325.456 3.931 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1cc(Br)ccc1[O-] ZINC000398153922 1041102922 /nfs/dbraw/zinc/10/29/22/1041102922.db2.gz HONNVVFVAQEFGX-JKOKRWQUSA-N 0 1 328.250 3.763 20 10 EHCDMN CS[C@H]1CCCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC001179924436 1133299812 /nfs/dbraw/zinc/29/98/12/1133299812.db2.gz GPHBMXBPWSOSQS-ZDUSSCGKSA-N 0 1 330.291 3.872 20 10 EHCDMN CS[C@H]1CCCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC001179924436 1133299821 /nfs/dbraw/zinc/29/98/21/1133299821.db2.gz GPHBMXBPWSOSQS-ZDUSSCGKSA-N 0 1 330.291 3.872 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1cccc(-n2ccnn2)c1 ZINC000136833486 1042966680 /nfs/dbraw/zinc/96/66/80/1042966680.db2.gz NARFMFKKSSANIB-UHFFFAOYSA-N 0 1 335.194 3.892 20 10 EHCDMN CCOC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C(C)C ZINC000788986237 1134200733 /nfs/dbraw/zinc/20/07/33/1134200733.db2.gz WAAFPYZVJJNFFF-SMDDNHRTSA-N 0 1 330.266 3.866 20 10 EHCDMN CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185150311 1126781319 /nfs/dbraw/zinc/78/13/19/1126781319.db2.gz DUUOXQAPVGJBGF-AWEZNQCLSA-N 0 1 334.419 3.756 20 10 EHCDMN C[C@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1Cl ZINC000764984467 1127562479 /nfs/dbraw/zinc/56/24/79/1127562479.db2.gz WSUPRAJWCDZPBM-INIZCTEOSA-N 0 1 326.223 3.696 20 10 EHCDMN Cc1occc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765394996 1127606116 /nfs/dbraw/zinc/60/61/16/1127606116.db2.gz DQOCFEQEXUMIEM-ZDUSSCGKSA-N 0 1 334.847 3.929 20 10 EHCDMN C[C@@H](c1ccsc1)N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000765720269 1127738550 /nfs/dbraw/zinc/73/85/50/1127738550.db2.gz RCJRZGCDJQWUAZ-INIZCTEOSA-N 0 1 329.513 3.693 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Br)ccc1[O-] ZINC000186193918 1128169296 /nfs/dbraw/zinc/16/92/96/1128169296.db2.gz XHRONMUINLOROQ-ZRQNBYAXSA-N 0 1 326.234 3.515 20 10 EHCDMN Cc1ccc(CNCc2ccc(N3CCSCC3)cc2)c(F)c1 ZINC001648826413 1120049822 /nfs/dbraw/zinc/04/98/22/1120049822.db2.gz GCXXGUAFXYEZGU-UHFFFAOYSA-N 0 1 330.472 3.977 20 10 EHCDMN COCc1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000227437838 1120883399 /nfs/dbraw/zinc/88/33/99/1120883399.db2.gz DFGYQRDUZUGWME-UHFFFAOYSA-N 0 1 336.229 3.591 20 10 EHCDMN Cc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c(C)c1 ZINC000070828536 1125405706 /nfs/dbraw/zinc/40/57/06/1125405706.db2.gz KEMUPOAOVZIOKE-UHFFFAOYSA-N 0 1 345.449 3.623 20 10 EHCDMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)Cc1ccccc1O ZINC000732202749 1130900298 /nfs/dbraw/zinc/90/02/98/1130900298.db2.gz AOKFKCTWGKWQCL-HZPDHXFCSA-N 0 1 338.451 3.580 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000742176538 1131697339 /nfs/dbraw/zinc/69/73/39/1131697339.db2.gz LEOCHIFAMNHIQT-GOSISDBHSA-N 0 1 348.446 3.979 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000742176538 1131697341 /nfs/dbraw/zinc/69/73/41/1131697341.db2.gz LEOCHIFAMNHIQT-GOSISDBHSA-N 0 1 348.446 3.979 20 10 EHCDMN COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])CC1 ZINC001172798365 1131859049 /nfs/dbraw/zinc/85/90/49/1131859049.db2.gz MFZBMVLHHPUSBU-KSSFIOAISA-N 0 1 327.424 3.757 20 10 EHCDMN C[C@H]1CN(Cc2c(O)ccc3ccncc32)[C@@H](c2ccccc2)CO1 ZINC000743407037 1131916838 /nfs/dbraw/zinc/91/68/38/1131916838.db2.gz PTIVFUFBERTFNI-MGPUTAFESA-N 0 1 334.419 3.902 20 10 EHCDMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441616 1132100585 /nfs/dbraw/zinc/10/05/85/1132100585.db2.gz PRLTUGAXYQXHFO-GOEBONIOSA-N 0 1 339.435 3.949 20 10 EHCDMN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(C)o1 ZINC000767359700 1132988986 /nfs/dbraw/zinc/98/89/86/1132988986.db2.gz JERQAXDNTFUUJC-GASCZTMLSA-N 0 1 346.446 3.939 20 10 EHCDMN Cc1nn(C(C)(C)C)c(C)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000768131211 1133099510 /nfs/dbraw/zinc/09/95/10/1133099510.db2.gz WQBIWFDCLKPWGU-UHFFFAOYSA-N 0 1 328.504 3.953 20 10 EHCDMN CCN(Cc1cn2cccc(F)c2n1)Cc1ccc(N(C)C)cc1 ZINC000768134656 1133100262 /nfs/dbraw/zinc/10/02/62/1133100262.db2.gz SMOMQEIPMPCXBD-UHFFFAOYSA-N 0 1 326.419 3.562 20 10 EHCDMN CCN(CC(=O)NC)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000768308074 1133123461 /nfs/dbraw/zinc/12/34/61/1133123461.db2.gz MHOPCUPQJSKIFH-UHFFFAOYSA-N 0 1 334.504 3.555 20 10 EHCDMN COc1cc(O)c(CN2CC(C)(C)[C@H]2c2ccccc2)cc1OC ZINC000768441536 1133139711 /nfs/dbraw/zinc/13/97/11/1133139711.db2.gz DFPBTPHJSZUGKU-LJQANCHMSA-N 0 1 327.424 3.993 20 10 EHCDMN COc1ccc(N2CCCN(Cc3cnc(Cl)c(C)c3)CC2)cc1 ZINC000768999365 1133219401 /nfs/dbraw/zinc/21/94/01/1133219401.db2.gz WHJVQKKBVPBJSU-UHFFFAOYSA-N 0 1 345.874 3.764 20 10 EHCDMN CCN(C)c1ccc(CN(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000773811279 1133241926 /nfs/dbraw/zinc/24/19/26/1133241926.db2.gz XUHDJMVIXRJIBY-UHFFFAOYSA-N 0 1 340.393 3.527 20 10 EHCDMN Cc1ccc(O)c(CN(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000769232134 1133247928 /nfs/dbraw/zinc/24/79/28/1133247928.db2.gz GDVULBMUZMRNIA-HXUWFJFHSA-N 0 1 339.414 3.795 20 10 EHCDMN COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000769313075 1133260080 /nfs/dbraw/zinc/26/00/80/1133260080.db2.gz SBKCLHCUNSFXKS-MRXNPFEDSA-N 0 1 341.407 3.509 20 10 EHCDMN CCOc1ccc(O)c(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1 ZINC000769476786 1133299537 /nfs/dbraw/zinc/29/95/37/1133299537.db2.gz ZPMLTSPLJSMMBV-VBKZILBWSA-N 0 1 345.414 3.892 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000770305320 1133409479 /nfs/dbraw/zinc/40/94/79/1133409479.db2.gz SKGMOAKDMJPHAY-GOSISDBHSA-N 0 1 331.843 3.879 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000770305320 1133409482 /nfs/dbraw/zinc/40/94/82/1133409482.db2.gz SKGMOAKDMJPHAY-GOSISDBHSA-N 0 1 331.843 3.879 20 10 EHCDMN COC(=O)c1ccc2c(c1)C[N@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC000770650387 1133459721 /nfs/dbraw/zinc/45/97/21/1133459721.db2.gz BBDMRJSGNUIKCU-UHFFFAOYSA-N 0 1 347.414 3.890 20 10 EHCDMN CN(C)c1cc(F)c(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1F ZINC001183801575 1133859761 /nfs/dbraw/zinc/85/97/61/1133859761.db2.gz SOWQUAPBFBXUFO-OXJNMPFZSA-N 0 1 328.406 3.804 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccccc1OC(F)F ZINC000788072583 1134076785 /nfs/dbraw/zinc/07/67/85/1134076785.db2.gz SYBAUJZVIGTRCH-UHFFFAOYSA-N 0 1 327.758 3.979 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774909413 1134116606 /nfs/dbraw/zinc/11/66/06/1134116606.db2.gz MSGKAZAFKGUFQB-DOMZBBRYSA-N 0 1 346.383 3.875 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774909413 1134116608 /nfs/dbraw/zinc/11/66/08/1134116608.db2.gz MSGKAZAFKGUFQB-DOMZBBRYSA-N 0 1 346.383 3.875 20 10 EHCDMN CN1CCCc2cc(CN[C@H]3CCc4ccc(Cl)nc43)ccc21 ZINC000788583136 1134147959 /nfs/dbraw/zinc/14/79/59/1134147959.db2.gz JWHBXYKDKQSBRW-INIZCTEOSA-N 0 1 327.859 3.895 20 10 EHCDMN COc1cc(C)cc(CN2CCN(c3ccccc3F)C[C@H]2C)c1O ZINC000788785238 1134174937 /nfs/dbraw/zinc/17/49/37/1134174937.db2.gz YAEJYKCCQQDPIH-OAHLLOKOSA-N 0 1 344.430 3.559 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001203643523 1134242316 /nfs/dbraw/zinc/24/23/16/1134242316.db2.gz WVVCACIDQGFTHW-ZDUSSCGKSA-N 0 1 333.229 3.539 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001203643523 1134242319 /nfs/dbraw/zinc/24/23/19/1134242319.db2.gz WVVCACIDQGFTHW-ZDUSSCGKSA-N 0 1 333.229 3.539 20 10 EHCDMN CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775070049 1134284075 /nfs/dbraw/zinc/28/40/75/1134284075.db2.gz HDJPQOUKMSAVSO-MRXNPFEDSA-N 0 1 342.395 3.646 20 10 EHCDMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775070049 1134284079 /nfs/dbraw/zinc/28/40/79/1134284079.db2.gz HDJPQOUKMSAVSO-MRXNPFEDSA-N 0 1 342.395 3.646 20 10 EHCDMN CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000789593418 1134304383 /nfs/dbraw/zinc/30/43/83/1134304383.db2.gz PUDKZKBWGPWVLJ-MRXNPFEDSA-N 0 1 342.277 3.528 20 10 EHCDMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000789593418 1134304391 /nfs/dbraw/zinc/30/43/91/1134304391.db2.gz PUDKZKBWGPWVLJ-MRXNPFEDSA-N 0 1 342.277 3.528 20 10 EHCDMN O=C(Nc1ccc(COC2CCCC2)cc1)c1c(F)ccc(O)c1O ZINC000789981535 1134354717 /nfs/dbraw/zinc/35/47/17/1134354717.db2.gz QDOMQOGCBFPXBY-UHFFFAOYSA-N 0 1 345.370 3.948 20 10 EHCDMN O=C(Nc1cccc(N2CCCCCC2)c1)c1c(F)ccc(O)c1O ZINC000789979944 1134354851 /nfs/dbraw/zinc/35/48/51/1134354851.db2.gz AILXZQNBPGWGNF-UHFFFAOYSA-N 0 1 344.386 3.870 20 10 EHCDMN Cc1nc(C2(NCc3c(O)ccc(Cl)c3F)CCCCC2)no1 ZINC000790955542 1134484730 /nfs/dbraw/zinc/48/47/30/1134484730.db2.gz SLRPXSQCTUVIFH-UHFFFAOYSA-N 0 1 339.798 3.825 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)Cc2ccccc2C)ccc1[N+](=O)[O-] ZINC000775203256 1134516724 /nfs/dbraw/zinc/51/67/24/1134516724.db2.gz BRTKNQJCIZYGFG-CQSZACIVSA-N 0 1 344.411 3.680 20 10 EHCDMN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792175200 1134663122 /nfs/dbraw/zinc/66/31/22/1134663122.db2.gz OWCMZPJOEUPPMS-GFCCVEGCSA-N 0 1 343.826 3.738 20 10 EHCDMN COc1ccc(N2CCCN(Cc3c(F)ccc(C)c3F)CC2)cc1 ZINC001190447428 1134702504 /nfs/dbraw/zinc/70/25/04/1134702504.db2.gz SYVYQUMALPIFJF-UHFFFAOYSA-N 0 1 346.421 3.994 20 10 EHCDMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc(Br)ccc1O ZINC000793230313 1134879472 /nfs/dbraw/zinc/87/94/72/1134879472.db2.gz FWCWPGADICJRNB-GZMMTYOYSA-N 0 1 338.167 3.927 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)Cc2cnccc2C)c1 ZINC000793338160 1134908523 /nfs/dbraw/zinc/90/85/23/1134908523.db2.gz CTLRSFJXYUNCAQ-UHFFFAOYSA-N 0 1 335.245 3.799 20 10 EHCDMN COc1ccc(CNCc2csc(-c3ccsc3)n2)c(O)c1 ZINC000793387996 1134920911 /nfs/dbraw/zinc/92/09/11/1134920911.db2.gz DSHWWBLCBFWCES-UHFFFAOYSA-N 0 1 332.450 3.876 20 10 EHCDMN CCOc1ccc([C@@H](C)NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 ZINC001193634044 1135162633 /nfs/dbraw/zinc/16/26/33/1135162633.db2.gz QKQGBPBGCUIIKX-SNVBAGLBSA-N 0 1 335.787 3.641 20 10 EHCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC001193604407 1135164840 /nfs/dbraw/zinc/16/48/40/1135164840.db2.gz WBKFAXNARUFSDG-SNVBAGLBSA-N 0 1 335.762 3.520 20 10 EHCDMN CCC[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000775647955 1135398347 /nfs/dbraw/zinc/39/83/47/1135398347.db2.gz JIBIWMYUSBGWKB-UHFFFAOYSA-N 0 1 337.055 3.759 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000775679226 1135503616 /nfs/dbraw/zinc/50/36/16/1135503616.db2.gz RIVFVPNNMJAIAG-MRXNPFEDSA-N 0 1 339.769 3.897 20 10 EHCDMN C[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000775691872 1135531761 /nfs/dbraw/zinc/53/17/61/1135531761.db2.gz HPGRZKVITVFBCM-MRVPVSSYSA-N 0 1 349.066 3.902 20 10 EHCDMN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775723063 1135574197 /nfs/dbraw/zinc/57/41/97/1135574197.db2.gz CBXPYGATUCEJLD-MRXNPFEDSA-N 0 1 337.822 3.958 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H](F)Cc1ccccc1 ZINC000807839726 1135581197 /nfs/dbraw/zinc/58/11/97/1135581197.db2.gz KLFDSDPDPNIRRS-CQSZACIVSA-N 0 1 342.197 3.896 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc(C2CC2)s1 ZINC000807837937 1135581884 /nfs/dbraw/zinc/58/18/84/1135581884.db2.gz HEVSHFKECISECJ-UHFFFAOYSA-N 0 1 343.235 3.963 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000808430850 1135674518 /nfs/dbraw/zinc/67/45/18/1135674518.db2.gz KLGLMEHTRMRKRK-LBPRGKRZSA-N 0 1 326.223 3.565 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(Br)cc1[O-] ZINC000808728237 1135723337 /nfs/dbraw/zinc/72/33/37/1135723337.db2.gz OYKUBTFLMBFOOO-NWDGAFQWSA-N 0 1 348.240 3.982 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c1O ZINC001198685316 1135847303 /nfs/dbraw/zinc/84/73/03/1135847303.db2.gz IVEITPHYZNVYJI-SJORKVTESA-N 0 1 337.847 3.782 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC001198685316 1135847307 /nfs/dbraw/zinc/84/73/07/1135847307.db2.gz IVEITPHYZNVYJI-SJORKVTESA-N 0 1 337.847 3.782 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000809715370 1135876942 /nfs/dbraw/zinc/87/69/42/1135876942.db2.gz IDNKPNKENSYQSG-DYVFJYSZSA-N 0 1 342.395 3.892 20 10 EHCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000809715370 1135876945 /nfs/dbraw/zinc/87/69/45/1135876945.db2.gz IDNKPNKENSYQSG-DYVFJYSZSA-N 0 1 342.395 3.892 20 10 EHCDMN Cc1noc([C@H]2CCCCN2Cc2cc(Cl)cc(F)c2O)n1 ZINC000809718287 1135877501 /nfs/dbraw/zinc/87/75/01/1135877501.db2.gz HZLIQESZEWCNFO-CYBMUJFWSA-N 0 1 325.771 3.603 20 10 EHCDMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809766800 1135879523 /nfs/dbraw/zinc/87/95/23/1135879523.db2.gz AYDWBIJOZOEAIV-XHDPSFHLSA-N 0 1 329.271 3.615 20 10 EHCDMN COc1cccc(CNCc2csc(-c3ccsc3)n2)c1O ZINC000809740352 1135883206 /nfs/dbraw/zinc/88/32/06/1135883206.db2.gz VFRCOWHUBAOXAI-UHFFFAOYSA-N 0 1 332.450 3.876 20 10 EHCDMN CCC[N@H+](CCCN(C)C)Cc1cc(C)cc(Br)c1[O-] ZINC000809756838 1135888091 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COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000774833279 1136414797 /nfs/dbraw/zinc/41/47/97/1136414797.db2.gz NMQCSBZTWGJLDR-MRXNPFEDSA-N 0 1 342.395 3.955 20 10 EHCDMN Cn1c(-c2ccccc2)cnc1SCc1n[nH]c(C(C)(C)C)n1 ZINC000814247647 1136430702 /nfs/dbraw/zinc/43/07/02/1136430702.db2.gz PUODZAHEMXTXST-UHFFFAOYSA-N 0 1 327.457 3.795 20 10 EHCDMN O=C(NCCCc1ccco1)NCc1cc(Cl)cc(Cl)c1O ZINC000852682344 1136477315 /nfs/dbraw/zinc/47/73/15/1136477315.db2.gz XTQFLUGCNXGFLA-UHFFFAOYSA-N 0 1 343.210 3.724 20 10 EHCDMN C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000111236035 1136524776 /nfs/dbraw/zinc/52/47/76/1136524776.db2.gz GMXQBOJXPPHOOV-ZIAGYGMSSA-N 0 1 346.858 3.743 20 10 EHCDMN Oc1cccc(CNCc2ccc(N3CCSCC3)cc2)c1Cl ZINC000815116027 1136551522 /nfs/dbraw/zinc/55/15/22/1136551522.db2.gz WWTKRLVHVKTOKW-UHFFFAOYSA-N 0 1 348.899 3.889 20 10 EHCDMN C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCO1 ZINC000854476015 1136619095 /nfs/dbraw/zinc/61/90/95/1136619095.db2.gz ZLZJHEADHDHHQV-NOZJJQNGSA-N 0 1 332.227 3.520 20 10 EHCDMN CCC[C@H](C)C(=O)NCC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000815633233 1136621993 /nfs/dbraw/zinc/62/19/93/1136621993.db2.gz JGCPUOKQPCLWNV-SWLSCSKDSA-N 0 1 326.868 3.639 20 10 EHCDMN CC[C@@H]([NH2+]CCc1nccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000815651043 1136626278 /nfs/dbraw/zinc/62/62/78/1136626278.db2.gz IHCOOPUQOXTKDQ-CQSZACIVSA-N 0 1 339.361 3.793 20 10 EHCDMN COc1ccc(CCC[N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000748049839 1136682432 /nfs/dbraw/zinc/68/24/32/1136682432.db2.gz WEKPHJFMCKUODD-UHFFFAOYSA-N 0 1 345.414 3.807 20 10 EHCDMN O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc3ccccc3c2[O-])CCN1 ZINC000816493628 1136724457 /nfs/dbraw/zinc/72/44/57/1136724457.db2.gz IMNCOCYKKNOUQB-HXUWFJFHSA-N 0 1 346.430 3.609 20 10 EHCDMN O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc3ccccc3c2[O-])CCN1 ZINC000816493628 1136724461 /nfs/dbraw/zinc/72/44/61/1136724461.db2.gz IMNCOCYKKNOUQB-HXUWFJFHSA-N 0 1 346.430 3.609 20 10 EHCDMN CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccc2ccccc2c1O ZINC000816521410 1136727058 /nfs/dbraw/zinc/72/70/58/1136727058.db2.gz OLRFMCYBWVSSEC-UHFFFAOYSA-N 0 1 349.356 3.930 20 10 EHCDMN C[C@@H](N1CCN(Cc2ccc3ccccc3c2O)CC1)C(F)(F)F ZINC000816520130 1136727064 /nfs/dbraw/zinc/72/70/64/1136727064.db2.gz GZZWYQOODNZXDJ-CYBMUJFWSA-N 0 1 338.373 3.614 20 10 EHCDMN CO[C@H](C)c1nc(CNCc2ccc3ccccc3c2O)cs1 ZINC000816555720 1136736200 /nfs/dbraw/zinc/73/62/00/1136736200.db2.gz OFEXORXAIBNREJ-GFCCVEGCSA-N 0 1 328.437 3.999 20 10 EHCDMN CC1(C)CN(Cc2cccc(Cl)c2O)C[C@](C)(C(F)(F)F)O1 ZINC000816643122 1136743832 /nfs/dbraw/zinc/74/38/32/1136743832.db2.gz VWZXAAANOASIJR-CQSZACIVSA-N 0 1 337.769 3.977 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000817881298 1136843280 /nfs/dbraw/zinc/84/32/80/1136843280.db2.gz IXXNXOIWCPFEMU-AEFFLSMTSA-N 0 1 332.488 3.856 20 10 EHCDMN CCCN(CCC)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000817881446 1136843288 /nfs/dbraw/zinc/84/32/88/1136843288.db2.gz SWNIJULNPFVASS-FUHWJXTLSA-N 0 1 332.488 3.998 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000817954923 1136850914 /nfs/dbraw/zinc/85/09/14/1136850914.db2.gz MYIRTHWMUHJKKV-IAQYHMDHSA-N 0 1 335.245 3.505 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(C(F)F)nc1 ZINC000857507385 1136878120 /nfs/dbraw/zinc/87/81/20/1136878120.db2.gz FASOQUPADWOXRR-UHFFFAOYSA-N 0 1 347.148 3.962 20 10 EHCDMN COCc1cc(CNCc2cc(F)c(N(C)C)cc2F)ccc1F ZINC000858130904 1136942386 /nfs/dbraw/zinc/94/23/86/1136942386.db2.gz CPKIUFUNZQUSBA-UHFFFAOYSA-N 0 1 338.373 3.606 20 10 EHCDMN CC(C)(CC(F)(F)F)[NH2+]Cc1c([O-])cccc1Br ZINC000858158110 1136945338 /nfs/dbraw/zinc/94/53/38/1136945338.db2.gz BBIIZDCORBGGMW-UHFFFAOYSA-N 0 1 326.156 3.975 20 10 EHCDMN COCC(C)(C)CCC[NH2+]Cc1c([O-])cccc1Br ZINC000858164220 1136945670 /nfs/dbraw/zinc/94/56/70/1136945670.db2.gz TUKUPQDEGWFIJD-UHFFFAOYSA-N 0 1 330.266 3.697 20 10 EHCDMN CCN(C)c1ccc([C@H](C)NCc2c(C(F)(F)F)cnn2C)cc1 ZINC000858453864 1136969334 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[O-]c1c(F)cc(Cl)cc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893609 1137156056 /nfs/dbraw/zinc/15/60/56/1137156056.db2.gz WTBHKZGFPWPGLX-ZBFHGGJFSA-N 0 1 339.838 3.966 20 10 EHCDMN COc1cc(O)c(CN2CC(c3cccc(Cl)c3)C2)cc1OC ZINC000824987809 1137161269 /nfs/dbraw/zinc/16/12/69/1137161269.db2.gz BGGHEWUPZZTTDI-UHFFFAOYSA-N 0 1 333.815 3.662 20 10 EHCDMN CN(C)c1ccccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825429695 1137176166 /nfs/dbraw/zinc/17/61/66/1137176166.db2.gz OMSYUBYNAKXUSK-UHFFFAOYSA-N 0 1 335.245 3.511 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1Cl ZINC000825399850 1137176815 /nfs/dbraw/zinc/17/68/15/1137176815.db2.gz DEFQWLOFCKNWQC-BPLDGKMQSA-N 0 1 329.918 3.823 20 10 EHCDMN CC[C@@H](NCc1nccn1CC(F)(F)F)c1ccc(C)cc1O ZINC000794805145 1137253712 /nfs/dbraw/zinc/25/37/12/1137253712.db2.gz FXKJFGRYGDXBGB-CYBMUJFWSA-N 0 1 327.350 3.700 20 10 EHCDMN COc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(F)c1 ZINC000845902877 1137319304 /nfs/dbraw/zinc/31/93/04/1137319304.db2.gz 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ZINC000825768129 1137629395 /nfs/dbraw/zinc/62/93/95/1137629395.db2.gz BPUNMQUULUOBDA-LBPRGKRZSA-N 0 1 333.229 3.539 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000825768129 1137629396 /nfs/dbraw/zinc/62/93/96/1137629396.db2.gz BPUNMQUULUOBDA-LBPRGKRZSA-N 0 1 333.229 3.539 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000825768129 1137629397 /nfs/dbraw/zinc/62/93/97/1137629397.db2.gz BPUNMQUULUOBDA-LBPRGKRZSA-N 0 1 333.229 3.539 20 10 EHCDMN Oc1c(CN2CCCC[C@H]2c2noc(C3CC3)n2)ccc(F)c1F ZINC000876628342 1137657560 /nfs/dbraw/zinc/65/75/60/1137657560.db2.gz PLIQHNXIVQXXDW-ZDUSSCGKSA-N 0 1 335.354 3.658 20 10 EHCDMN C[C@@H]1CN(c2ccccc2NCc2ccc(F)c(F)c2O)C[C@@H](C)O1 ZINC000876817798 1137662449 /nfs/dbraw/zinc/66/24/49/1137662449.db2.gz GRWICAPGTNCUCA-CHWSQXEVSA-N 0 1 348.393 3.896 20 10 EHCDMN CCCc1nc(C)c(C[NH2+]Cc2ccc(Br)cc2[O-])o1 ZINC000825986433 1137683559 /nfs/dbraw/zinc/68/35/59/1137683559.db2.gz BUTMBGSHYKWHEE-UHFFFAOYSA-N 0 1 339.233 3.693 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000877825157 1137692299 /nfs/dbraw/zinc/69/22/99/1137692299.db2.gz XSVYZXQIVJGGGZ-PRHODGIISA-N 0 1 341.732 3.726 20 10 EHCDMN CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc(F)c(F)c1O ZINC000877843436 1137693045 /nfs/dbraw/zinc/69/30/45/1137693045.db2.gz MGPUQMKUVTZFOW-QGZVFWFLSA-N 0 1 332.350 3.893 20 10 EHCDMN CCCN(Cc1csc(-c2ccn(C)n2)n1)Cc1ccccc1O ZINC000878150837 1137704548 /nfs/dbraw/zinc/70/45/48/1137704548.db2.gz JDNYEWPAZUSOIR-UHFFFAOYSA-N 0 1 342.468 3.661 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cc(Cl)ccc1[O-] ZINC000883263572 1137851451 /nfs/dbraw/zinc/85/14/51/1137851451.db2.gz ZJAIIFWFZXKJJX-ZFWWWQNUSA-N 0 1 339.863 3.672 20 10 EHCDMN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000101904739 1137871950 /nfs/dbraw/zinc/87/19/50/1137871950.db2.gz DKLRYVOHNMWPEU-INIZCTEOSA-N 0 1 340.467 3.530 20 10 EHCDMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000101904739 1137871951 /nfs/dbraw/zinc/87/19/51/1137871951.db2.gz DKLRYVOHNMWPEU-INIZCTEOSA-N 0 1 340.467 3.530 20 10 EHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(Br)n1 ZINC001205982538 1138250995 /nfs/dbraw/zinc/25/09/95/1138250995.db2.gz UMHDWLVYDCCGOE-UHFFFAOYSA-N 0 1 348.288 3.932 20 10 EHCDMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000264596422 1138570880 /nfs/dbraw/zinc/57/08/80/1138570880.db2.gz IGXXQBUGEKUJLZ-GFCCVEGCSA-N 0 1 348.830 3.513 20 10 EHCDMN COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000185312670 1140144406 /nfs/dbraw/zinc/14/44/06/1140144406.db2.gz CFHVWTSRFZPJKZ-LSDHHAIUSA-N 0 1 344.430 3.717 20 10 EHCDMN Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185350158 1140145767 /nfs/dbraw/zinc/14/57/67/1140145767.db2.gz DISRQRGRLIXFNV-NXEZZACHSA-N 0 1 338.249 3.608 20 10 EHCDMN Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185350121 1140145969 /nfs/dbraw/zinc/14/59/69/1140145969.db2.gz DISRQRGRLIXFNV-VHSXEESVSA-N 0 1 338.249 3.608 20 10 EHCDMN COC[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ccc(F)c(F)c1 ZINC000186226189 1140192710 /nfs/dbraw/zinc/19/27/10/1140192710.db2.gz FTWBZSSMBDDTHU-QLJPJBMISA-N 0 1 325.330 3.848 20 10 EHCDMN COC[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccc(F)c(F)c1 ZINC000186226133 1140192723 /nfs/dbraw/zinc/19/27/23/1140192723.db2.gz FTWBZSSMBDDTHU-QFYYESIMSA-N 0 1 325.330 3.848 20 10 EHCDMN C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(Cl)ccc1[O-] ZINC000186352697 1140199696 /nfs/dbraw/zinc/19/96/96/1140199696.db2.gz KHNSVMXFVFYTET-DAIYRKSASA-N 0 1 346.858 3.922 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc2ccccc2c1[O-] ZINC000192814081 1140551595 /nfs/dbraw/zinc/55/15/95/1140551595.db2.gz PUQIYUOUXNOIFP-RDJZCZTQSA-N 0 1 348.450 3.655 20 10 EHCDMN COc1ccc2ccc(O)c(C[N@H+]3Cc4ccc(C(=O)[O-])cc4C3)c2c1 ZINC000738078444 600078197 /nfs/dbraw/zinc/07/81/97/600078197.db2.gz GIZSTEQXHQFXJF-UHFFFAOYSA-N 0 1 349.386 3.768 20 10 EHCDMN O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000833211233 979119496 /nfs/dbraw/zinc/11/94/96/979119496.db2.gz WGMOYYYRKNVFST-ZDUSSCGKSA-N 0 1 325.364 3.731 20 10 EHCDMN CCCOc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC000871874512 979979352 /nfs/dbraw/zinc/97/93/52/979979352.db2.gz QQISGTUZQWKBDO-GFCCVEGCSA-N 0 1 334.441 3.789 20 10 EHCDMN CCOc1cccc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1O ZINC001597155063 986946023 /nfs/dbraw/zinc/94/60/23/986946023.db2.gz HHKJTDLKMHCBGE-HNNXBMFYSA-N 0 1 343.423 3.514 20 10 EHCDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)Cc2cccs2)c1C(=O)[O-] ZINC001598531760 992790002 /nfs/dbraw/zinc/79/00/02/992790002.db2.gz LZJGRHCQQHTHAD-UHFFFAOYSA-N 0 1 332.400 3.709 20 10 EHCDMN CCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528398956 1032224037 /nfs/dbraw/zinc/22/40/37/1032224037.db2.gz YJXBSVNFVBIWPZ-SFHVURJKSA-N 0 1 330.472 3.538 20 10 EHCDMN C[C@@H](NCc1nnc2n1CCCCC2)c1ccc2ccccc2c1O ZINC000184877925 1032327500 /nfs/dbraw/zinc/32/75/00/1032327500.db2.gz HOYXGBANJNWMJG-CQSZACIVSA-N 0 1 336.439 3.714 20 10 EHCDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)cc2cc[nH]c21 ZINC001167436816 1020134480 /nfs/dbraw/zinc/13/44/80/1020134480.db2.gz ANNJYUFRWUAPDO-UHFFFAOYSA-N 0 1 334.467 3.840 20 10 EHCDMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC000069752575 1020799974 /nfs/dbraw/zinc/79/99/74/1020799974.db2.gz KDXJQOQBXIMFOX-DNVCBOLYSA-N 0 1 326.440 3.529 20 10 EHCDMN CCOC1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000707370957 1022058371 /nfs/dbraw/zinc/05/83/71/1022058371.db2.gz GSCLEWWMARYOHI-UHFFFAOYSA-N 0 1 328.250 3.592 20 10 EHCDMN COc1cc(C)cc(CN[C@@H]2CCc3ccccc3-n3ccnc32)c1O ZINC000895359196 1024390068 /nfs/dbraw/zinc/39/00/68/1024390068.db2.gz BNKNUSDPXDZLRE-QGZVFWFLSA-N 0 1 349.434 3.672 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895580350 1024638524 /nfs/dbraw/zinc/63/85/24/1024638524.db2.gz ANJYSQZGUGZLSW-NSHDSACASA-N 0 1 339.258 3.601 20 10 EHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895580350 1024638532 /nfs/dbraw/zinc/63/85/32/1024638532.db2.gz ANJYSQZGUGZLSW-NSHDSACASA-N 0 1 339.258 3.601 20 10 EHCDMN COc1cc(C)cc(CNCc2c(F)cccc2OC(F)F)c1O ZINC000894310794 1025264353 /nfs/dbraw/zinc/26/43/53/1025264353.db2.gz NNYUDYXERQLCDI-UHFFFAOYSA-N 0 1 341.329 3.740 20 10 EHCDMN CC[C@H]([NH2+]CCc1ccncc1)c1cc(Br)ccc1[O-] ZINC000048261368 1026243076 /nfs/dbraw/zinc/24/30/76/1026243076.db2.gz CFUHPOXAEUWBEG-HNNXBMFYSA-N 0 1 335.245 3.833 20 10 EHCDMN Cc1c2ccccc2n(C)c1CNCc1cccc2c1OCCCO2 ZINC000475193625 1026360706 /nfs/dbraw/zinc/36/07/06/1026360706.db2.gz JJCVBILHGBKXCN-UHFFFAOYSA-N 0 1 336.435 3.938 20 10 EHCDMN CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000192842353 1026384164 /nfs/dbraw/zinc/38/41/64/1026384164.db2.gz KGRUINNCCJEQTH-HNNXBMFYSA-N 0 1 340.467 3.843 20 10 EHCDMN C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000273435095 1027423984 /nfs/dbraw/zinc/42/39/84/1027423984.db2.gz WSLNWGNQHQVFQA-GFCCVEGCSA-N 0 1 332.831 3.598 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000273586993 1027508785 /nfs/dbraw/zinc/50/87/85/1027508785.db2.gz OAUJDMFVCCWZJO-XIRDDKMYSA-N 0 1 340.467 3.843 20 10 EHCDMN Cc1cc(O)c(CNC(C)(C)c2cn(-c3ccccc3)nn2)cc1C ZINC000154015293 1028977780 /nfs/dbraw/zinc/97/77/80/1028977780.db2.gz TYORYTNTAWJSGH-UHFFFAOYSA-N 0 1 336.439 3.615 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(Cl)cc1[O-] ZINC000528003675 1031569158 /nfs/dbraw/zinc/56/91/58/1031569158.db2.gz QIISKNINJVCYLL-MEDUHNTESA-N 0 1 330.815 3.523 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322119 1033432440 /nfs/dbraw/zinc/43/24/40/1033432440.db2.gz YDNVHXRPDMEAAN-INIZCTEOSA-N 0 1 333.229 3.791 20 10 EHCDMN CC(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227121396 1033715466 /nfs/dbraw/zinc/71/54/66/1033715466.db2.gz SMFQLFJQVZVDLF-AWEZNQCLSA-N 0 1 342.867 3.685 20 10 EHCDMN CC(C)(C)c1ncc2c(n1)CCN(Cc1cccc(Cl)c1O)C2 ZINC000529643108 1034336747 /nfs/dbraw/zinc/33/67/47/1034336747.db2.gz SIANEMVCZSUNGB-UHFFFAOYSA-N 0 1 331.847 3.691 20 10 EHCDMN Cc1cc(Br)cc(CN[C@@H](C)c2ncccc2F)c1O ZINC000529689348 1034461087 /nfs/dbraw/zinc/46/10/87/1034461087.db2.gz NESTXEKQVPMPRN-JTQLQIEISA-N 0 1 339.208 3.848 20 10 EHCDMN Cc1c(Cl)cccc1NC(=S)NCc1cc(N(C)C)ccn1 ZINC000905619284 1039006882 /nfs/dbraw/zinc/00/68/82/1039006882.db2.gz UQSXGPFIOXRDAI-UHFFFAOYSA-N 0 1 334.876 3.596 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1cc(Br)ccc1[O-] ZINC000155961962 1039418483 /nfs/dbraw/zinc/41/84/83/1039418483.db2.gz JNPCDGXLXNPNFK-WDMOLILDSA-N 0 1 330.266 3.602 20 10 EHCDMN Cc1ncsc1C[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894002467 1039958002 /nfs/dbraw/zinc/95/80/02/1039958002.db2.gz PKACCAAFGNSXSG-UHFFFAOYSA-N 0 1 345.237 3.691 20 10 EHCDMN COC1CCC([N@@H+](C)Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894026129 1039992914 /nfs/dbraw/zinc/99/29/14/1039992914.db2.gz IJJXCOJCPZLTBX-UHFFFAOYSA-N 0 1 346.240 3.683 20 10 EHCDMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](c2ccsc2)O1 ZINC000894073389 1040050191 /nfs/dbraw/zinc/05/01/91/1040050191.db2.gz XJSCQSYNCUOKIM-BMIGLBTASA-N 0 1 325.380 3.694 20 10 EHCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(Br)cn1 ZINC000279895238 1044817522 /nfs/dbraw/zinc/81/75/22/1044817522.db2.gz VOMVCFRPNLDTOV-GFCCVEGCSA-N 0 1 334.261 3.761 20 10 EHCDMN C[C@H](NCc1nncn1-c1ccccc1)c1ccc2ccccc2c1O ZINC000184999913 1126733020 /nfs/dbraw/zinc/73/30/20/1126733020.db2.gz WLAHQKSXDAUGGB-HNNXBMFYSA-N 0 1 344.418 3.977 20 10 EHCDMN C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000185523597 1126920087 /nfs/dbraw/zinc/92/00/87/1126920087.db2.gz XSWCKDJQRWYNOT-JKSUJKDBSA-N 0 1 329.440 3.639 20 10 EHCDMN C[C@@H]([NH2+]CCOCC1CCC1)c1ccc(Br)cc1[O-] ZINC000765812722 1128431417 /nfs/dbraw/zinc/43/14/17/1128431417.db2.gz XOOZOZCORVDLIO-LLVKDONJSA-N 0 1 328.250 3.622 20 10 EHCDMN CCOc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1F ZINC001648886811 1120060905 /nfs/dbraw/zinc/06/09/05/1120060905.db2.gz MACMMWDBCDIPKG-UHFFFAOYSA-N 0 1 343.446 3.588 20 10 EHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000761995884 1121043467 /nfs/dbraw/zinc/04/34/67/1121043467.db2.gz OMUFAQJSMAYCPN-UHFFFAOYSA-N 0 1 341.816 3.634 20 10 EHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CC(C)C)CC1 ZINC000917385776 1122593886 /nfs/dbraw/zinc/59/38/86/1122593886.db2.gz ZGEAXLYBGFGYDC-UHFFFAOYSA-N 0 1 345.512 3.569 20 10 EHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1[nH]nc2ccccc21 ZINC000920740750 1123412067 /nfs/dbraw/zinc/41/20/67/1123412067.db2.gz HHRPMHOGGAHJQR-UHFFFAOYSA-N 0 1 336.439 3.680 20 10 EHCDMN COc1ccnc(CN(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000730379863 1130703916 /nfs/dbraw/zinc/70/39/16/1130703916.db2.gz ZFPDVUDWLNQSJS-UHFFFAOYSA-N 0 1 325.456 3.713 20 10 EHCDMN COC[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000739922372 1131517413 /nfs/dbraw/zinc/51/74/13/1131517413.db2.gz QPXHEQKYVRMQDH-SFHVURJKSA-N 0 1 340.467 3.554 20 10 EHCDMN CCC[N@@H+](Cc1c(O)ccc2ccncc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740859874 1131549338 /nfs/dbraw/zinc/54/93/38/1131549338.db2.gz UZJSPKXRVSLIAR-YSGRDPCXSA-N 0 1 340.467 3.966 20 10 EHCDMN CCC[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740859874 1131549344 /nfs/dbraw/zinc/54/93/44/1131549344.db2.gz UZJSPKXRVSLIAR-YSGRDPCXSA-N 0 1 340.467 3.966 20 10 EHCDMN CCC[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740859874 1131549348 /nfs/dbraw/zinc/54/93/48/1131549348.db2.gz UZJSPKXRVSLIAR-YSGRDPCXSA-N 0 1 340.467 3.966 20 10 EHCDMN CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000773425650 1132503458 /nfs/dbraw/zinc/50/34/58/1132503458.db2.gz AFQLNGBPPMIMNB-LLVKDONJSA-N 0 1 335.245 3.963 20 10 EHCDMN Cc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])cnc1Cl ZINC000809713435 1132583884 /nfs/dbraw/zinc/58/38/84/1132583884.db2.gz QAHJXPGKZSAICM-UHFFFAOYSA-N 0 1 341.636 3.801 20 10 EHCDMN Cc1cc(Nc2c(Cl)ccc(Br)c2[O-])cc(C)[nH+]1 ZINC001176059255 1132837351 /nfs/dbraw/zinc/83/73/51/1132837351.db2.gz DFWOQMLZQQHGQU-UHFFFAOYSA-N 0 1 327.609 3.985 20 10 EHCDMN CCOC(=O)c1ccc(CN(CC)Cc2ccc(N(C)C)cc2)o1 ZINC000768131955 1133100244 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Cc1cc(C(=O)N(C)Cc2cnc[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC001147072756 1137399490 /nfs/dbraw/zinc/39/94/90/1137399490.db2.gz MPTDGVZEPAYLJD-UHFFFAOYSA-N 0 1 342.830 3.743 20 10 EHCDMN Cc1cncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000773122333 1137467103 /nfs/dbraw/zinc/46/71/03/1137467103.db2.gz SLTPWHXOXQFSDJ-OAHLLOKOSA-N 0 1 345.874 3.731 20 10 EHCDMN Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000872132000 1137573330 /nfs/dbraw/zinc/57/33/30/1137573330.db2.gz AWHBMWGNFPTLMS-ONGXEEELSA-N 0 1 336.233 3.665 20 10 EHCDMN CC1(C)CCc2onc(CNCc3c(O)ccc(Cl)c3F)c2C1 ZINC000873175140 1137592421 /nfs/dbraw/zinc/59/24/21/1137592421.db2.gz PVUYCFPLOVMYLE-UHFFFAOYSA-N 0 1 338.810 3.977 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1Cl ZINC000825885556 1137654605 /nfs/dbraw/zinc/65/46/05/1137654605.db2.gz HXVYWXMDVWZIMA-AWEZNQCLSA-N 0 1 337.769 3.633 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1Cl ZINC000825885556 1137654606 /nfs/dbraw/zinc/65/46/06/1137654606.db2.gz HXVYWXMDVWZIMA-AWEZNQCLSA-N 0 1 337.769 3.633 20 10 EHCDMN COCCc1ncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000876570429 1137655930 /nfs/dbraw/zinc/65/59/30/1137655930.db2.gz CDDJSBYCERAERQ-UHFFFAOYSA-N 0 1 345.512 3.563 20 10 EHCDMN Oc1c(CNc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)ccc(F)c1F ZINC000876838953 1137663285 /nfs/dbraw/zinc/66/32/85/1137663285.db2.gz WWDFETZQIYRQIS-DLBZAZTESA-N 0 1 349.377 3.965 20 10 EHCDMN CC(C)(C)NC(=O)c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876844111 1137663414 /nfs/dbraw/zinc/66/34/14/1137663414.db2.gz ZNYHIEYNXRAVAJ-UHFFFAOYSA-N 0 1 334.366 3.811 20 10 EHCDMN Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(O)c1 ZINC000877056111 1137668866 /nfs/dbraw/zinc/66/88/66/1137668866.db2.gz YPPVDBRTOFLTKJ-QFBILLFUSA-N 0 1 330.497 3.935 20 10 EHCDMN COc1ccc(N(C)CCN(C)Cc2ccc(C(F)F)nc2)cc1 ZINC000877611166 1137682850 /nfs/dbraw/zinc/68/28/50/1137682850.db2.gz XMKCGFQBOXREIE-UHFFFAOYSA-N 0 1 335.398 3.596 20 10 EHCDMN Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC000877617018 1137683225 /nfs/dbraw/zinc/68/32/25/1137683225.db2.gz QQOQUGNOOGGTAS-ZBFHGGJFSA-N 0 1 334.460 3.578 20 10 EHCDMN CC1(C)N[C@H](c2cc(Cl)c(F)cc2O)N(CC2CCCC2)C1=O ZINC000877856994 1137693589 /nfs/dbraw/zinc/69/35/89/1137693589.db2.gz JTDFSIQBEMOQDR-HNNXBMFYSA-N 0 1 340.826 3.584 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1Cl ZINC000826090312 1137737416 /nfs/dbraw/zinc/73/74/16/1137737416.db2.gz YLSPIYSCDWDYPM-RDTXWAMCSA-N 0 1 332.831 3.759 20 10 EHCDMN C[C@@H](c1ccccc1F)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000129722550 1137829424 /nfs/dbraw/zinc/82/94/24/1137829424.db2.gz OUTCMKUOQBMHMB-HNNXBMFYSA-N 0 1 346.421 3.994 20 10 EHCDMN C[C@H](NCc1cc(F)cc(F)c1O)c1nc(C2CCCCC2)no1 ZINC000883025709 1137841931 /nfs/dbraw/zinc/84/19/31/1137841931.db2.gz VFPNNDHKLXMJRC-JTQLQIEISA-N 0 1 337.370 3.952 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1cc(Cl)ccc1[O-] ZINC000886771267 1138137180 /nfs/dbraw/zinc/13/71/80/1138137180.db2.gz FMKLEFIKCHWQHH-MLOIPWKLSA-N 0 1 339.863 3.669 20 10 EHCDMN CN(Cc1ccccc1O)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000091974728 1138223371 /nfs/dbraw/zinc/22/33/71/1138223371.db2.gz CMARSTNBIMGVEP-UHFFFAOYSA-N 0 1 338.310 3.534 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@@H]1CCCCO1 ZINC000826539653 1138241864 /nfs/dbraw/zinc/24/18/64/1138241864.db2.gz XNROGUVZQWYFLK-ZFWWWQNUSA-N 0 1 328.250 3.592 20 10 EHCDMN Cc1cc(C)c(NC(=O)CN(C)Cc2cccc(C)c2O)c(C)c1 ZINC000179716173 1139776883 /nfs/dbraw/zinc/77/68/83/1139776883.db2.gz AIUYUINISOBZEW-UHFFFAOYSA-N 0 1 326.440 3.696 20 10 EHCDMN CC[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1nccn1C ZINC000182909964 1140000721 /nfs/dbraw/zinc/00/07/21/1140000721.db2.gz LKALENQEXSYCKR-LJQANCHMSA-N 0 1 326.488 3.897 20 10 EHCDMN C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000185291101 1140143922 /nfs/dbraw/zinc/14/39/22/1140143922.db2.gz GWLZDVPZTMWYHO-JTQLQIEISA-N 0 1 336.785 3.723 20 10 EHCDMN C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(Br)cc1[O-] ZINC000186532349 1140208728 /nfs/dbraw/zinc/20/87/28/1140208728.db2.gz DNEDQNNAYWPVDM-GXFFZTMASA-N 0 1 340.217 3.522 20 10 EHCDMN COc1cccc(CN2CCC[C@@H]2c2nc3ccccc3n2C)c1O ZINC000271135357 1141312745 /nfs/dbraw/zinc/31/27/45/1141312745.db2.gz SLZYCKGCHDHZNR-QGZVFWFLSA-N 0 1 337.423 3.625 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[NH2+]C2(CC(=O)[O-])CCCCC2)c1O ZINC000825946603 601877963 /nfs/dbraw/zinc/87/79/63/601877963.db2.gz GVLJLQRDULVHDR-UHFFFAOYSA-N 0 1 339.819 3.515 20 10 EHCDMN C[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830859844 602041993 /nfs/dbraw/zinc/04/19/93/602041993.db2.gz MHCPIRIGDUZJAJ-HNNXBMFYSA-N 0 1 340.206 3.957 20 10 EHCDMN CC(C)[C@H](C)[N@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196589 1014939615 /nfs/dbraw/zinc/93/96/15/1014939615.db2.gz VEVKVODWZGZHQL-AWEZNQCLSA-N 0 1 327.424 3.805 20 10 EHCDMN CC(C)[C@H](C)[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196589 1014939628 /nfs/dbraw/zinc/93/96/28/1014939628.db2.gz VEVKVODWZGZHQL-AWEZNQCLSA-N 0 1 327.424 3.805 20 10 EHCDMN CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001596289982 983710774 /nfs/dbraw/zinc/71/07/74/983710774.db2.gz UGWZEMNEGAWKOW-UHFFFAOYSA-N 0 1 330.428 3.764 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC(C)(C)C1 ZINC001594536084 986150798 /nfs/dbraw/zinc/15/07/98/986150798.db2.gz PCYDVBLNPVZYER-LBPRGKRZSA-N 0 1 332.419 3.884 20 10 EHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001599795132 988084800 /nfs/dbraw/zinc/08/48/00/988084800.db2.gz GBNZGFDDZQJJNM-LLVKDONJSA-N 0 1 338.448 3.589 20 10 EHCDMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000168242917 1016837052 /nfs/dbraw/zinc/83/70/52/1016837052.db2.gz CFELZKNCQXVQHB-CHWSQXEVSA-N 0 1 347.434 3.679 20 10 EHCDMN CN1CCN(c2ccc(CNc3cccc4[nH]cc(F)c43)cc2)CC1 ZINC001167436840 1020142106 /nfs/dbraw/zinc/14/21/06/1020142106.db2.gz BUPFWEIMHVLFRX-UHFFFAOYSA-N 0 1 338.430 3.671 20 10 EHCDMN Cc1c2[nH]ccc2ccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167436921 1020147213 /nfs/dbraw/zinc/14/72/13/1020147213.db2.gz HEIRKRQXCFBDLM-UHFFFAOYSA-N 0 1 334.467 3.840 20 10 EHCDMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC000069752574 1020799328 /nfs/dbraw/zinc/79/93/28/1020799328.db2.gz KDXJQOQBXIMFOX-KXBFYZLASA-N 0 1 326.440 3.529 20 10 EHCDMN COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c(O)c1OC ZINC000894706936 1022777871 /nfs/dbraw/zinc/77/78/71/1022777871.db2.gz IWGKLUFUSADKFL-PWSUYJOCSA-N 0 1 333.350 3.572 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCOC2(CCC2)C1 ZINC000897768979 1033157533 /nfs/dbraw/zinc/15/75/33/1033157533.db2.gz KXYAYVCAMXCMRZ-JTQLQIEISA-N 0 1 344.238 3.665 20 10 EHCDMN C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)ccc1O ZINC000121281092 1024071451 /nfs/dbraw/zinc/07/14/51/1024071451.db2.gz DUCBJUSSABKNBQ-UHFFFAOYSA-N 0 1 346.858 3.514 20 10 EHCDMN C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC000121281092 1024071469 /nfs/dbraw/zinc/07/14/69/1024071469.db2.gz DUCBJUSSABKNBQ-UHFFFAOYSA-N 0 1 346.858 3.514 20 10 EHCDMN C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC000121281092 1024071486 /nfs/dbraw/zinc/07/14/86/1024071486.db2.gz DUCBJUSSABKNBQ-UHFFFAOYSA-N 0 1 346.858 3.514 20 10 EHCDMN CCOC(=O)[C@@](C)(NCc1cccc(Cl)c1O)c1ccccc1 ZINC000895894917 1024940581 /nfs/dbraw/zinc/94/05/81/1024940581.db2.gz RIDSHWIOKNMJRV-SFHVURJKSA-N 0 1 333.815 3.614 20 10 EHCDMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588513050 1025865848 /nfs/dbraw/zinc/86/58/48/1025865848.db2.gz WIJUKKXWZPKBJH-UHFFFAOYSA-N 0 1 335.371 3.884 20 10 EHCDMN CC[C@H]([NH2+]Cc1cc(C)no1)c1cc(Br)ccc1[O-] ZINC000044985794 1026021754 /nfs/dbraw/zinc/02/17/54/1026021754.db2.gz BSTSEZMBXUOSRQ-ZDUSSCGKSA-N 0 1 325.206 3.692 20 10 EHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cnc(C)nc2C)cc1F ZINC000158702700 1026255478 /nfs/dbraw/zinc/25/54/78/1026255478.db2.gz AEIGRWPXZLFYKZ-ZDUSSCGKSA-N 0 1 330.451 3.930 20 10 EHCDMN CCN(CC)C(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176677080 1026427590 /nfs/dbraw/zinc/42/75/90/1026427590.db2.gz OCYWETZKKCVUCN-QGZVFWFLSA-N 0 1 340.467 3.824 20 10 EHCDMN CC(C)CNC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176677829 1026451771 /nfs/dbraw/zinc/45/17/71/1026451771.db2.gz XLHSXCQTLGEGMP-KRWDZBQOSA-N 0 1 340.467 3.728 20 10 EHCDMN CC[C@H](N[C@H](C)c1cc(C)ccc1O)c1nnc2n1CCCCC2 ZINC000273462974 1027442333 /nfs/dbraw/zinc/44/23/33/1027442333.db2.gz DDCDHUITVAKFCS-ZBFHGGJFSA-N 0 1 328.460 3.820 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc2ccccc2c1[O-] ZINC000273539503 1027481869 /nfs/dbraw/zinc/48/18/69/1027481869.db2.gz XZUBCVBYNYWTJU-GDBMZVCRSA-N 0 1 327.424 3.882 20 10 EHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711500866 1028709147 /nfs/dbraw/zinc/70/91/47/1028709147.db2.gz YMIOZTPEYCEHRH-VIFPVBQESA-N 0 1 336.632 3.990 20 10 EHCDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747771 1028839614 /nfs/dbraw/zinc/83/96/14/1028839614.db2.gz STDIZBNKLLPTAP-JTQLQIEISA-N 0 1 336.775 3.813 20 10 EHCDMN C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(Cl)ccc1[O-] ZINC000278158771 1029395169 /nfs/dbraw/zinc/39/51/69/1029395169.db2.gz AGIDIMOGEWENFR-QMMMGPOBSA-N 0 1 329.721 3.613 20 10 EHCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2C2CC2)c1O ZINC000728561853 1029644761 /nfs/dbraw/zinc/64/47/61/1029644761.db2.gz BPIXTMIHXUQLFV-GOSISDBHSA-N 0 1 325.408 3.706 20 10 EHCDMN CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc(C)c(C)cc1O ZINC000192464392 1029678781 /nfs/dbraw/zinc/67/87/81/1029678781.db2.gz VFVAOSXTSHTHRZ-UHFFFAOYSA-N 0 1 348.393 3.748 20 10 EHCDMN COc1ccc([C@H](C)[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278316848 1030128201 /nfs/dbraw/zinc/12/82/01/1030128201.db2.gz XOTTVWKOZFBHPD-LBPRGKRZSA-N 0 1 346.383 3.511 20 10 EHCDMN COc1ccc([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278316848 1030128209 /nfs/dbraw/zinc/12/82/09/1030128209.db2.gz XOTTVWKOZFBHPD-LBPRGKRZSA-N 0 1 346.383 3.511 20 10 EHCDMN COc1ccc([C@H](C)[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278316848 1030128214 /nfs/dbraw/zinc/12/82/14/1030128214.db2.gz XOTTVWKOZFBHPD-LBPRGKRZSA-N 0 1 346.383 3.511 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(Cl)cc1[O-] ZINC000528003673 1031567681 /nfs/dbraw/zinc/56/76/81/1031567681.db2.gz QIISKNINJVCYLL-BDJLRTHQSA-N 0 1 330.815 3.523 20 10 EHCDMN C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000708617310 1033577444 /nfs/dbraw/zinc/57/74/44/1033577444.db2.gz GFMXIXBHHYXAOL-GFCCVEGCSA-N 0 1 338.167 3.929 20 10 EHCDMN C[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000708617310 1033577429 /nfs/dbraw/zinc/57/74/29/1033577429.db2.gz GFMXIXBHHYXAOL-GFCCVEGCSA-N 0 1 338.167 3.929 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000761226932 1034820652 /nfs/dbraw/zinc/82/06/52/1034820652.db2.gz XHQMMRPIYDAWOA-SFHVURJKSA-N 0 1 349.833 3.958 20 10 EHCDMN C[C@H]1CCC[N@H+](Cc2ccc(I)cc2[O-])[C@H]1C ZINC001232979129 1035637371 /nfs/dbraw/zinc/63/73/71/1035637371.db2.gz SKTGMPFCSLYLRH-QWRGUYRKSA-N 0 1 345.224 3.617 20 10 EHCDMN C[C@H]1CCC[N@@H+](Cc2ccc(I)cc2[O-])[C@H]1C ZINC001232979129 1035637376 /nfs/dbraw/zinc/63/73/76/1035637376.db2.gz SKTGMPFCSLYLRH-QWRGUYRKSA-N 0 1 345.224 3.617 20 10 EHCDMN C[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000186633930 1035674836 /nfs/dbraw/zinc/67/48/36/1035674836.db2.gz YZHFLUSMUKVHPL-BLVKFPJESA-N 0 1 343.377 3.844 20 10 EHCDMN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1 ZINC000057690284 1037085693 /nfs/dbraw/zinc/08/56/93/1037085693.db2.gz KDFAYKHFPITRAJ-UHFFFAOYSA-N 0 1 345.449 3.623 20 10 EHCDMN C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(Br)cc1[O-] ZINC000756364009 1037959155 /nfs/dbraw/zinc/95/91/55/1037959155.db2.gz RGESHOZMJGLJOL-LBPRGKRZSA-N 0 1 341.293 3.680 20 10 EHCDMN C[C@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000363834244 1038643455 /nfs/dbraw/zinc/64/34/55/1038643455.db2.gz NIRMJOOGRPKRGM-HRAATJIYSA-N 0 1 334.467 3.926 20 10 EHCDMN Cc1nn(C)cc1CNCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282089875 1039100452 /nfs/dbraw/zinc/10/04/52/1039100452.db2.gz RVFPCQIVTSFCTL-AWEZNQCLSA-N 0 1 346.906 3.908 20 10 EHCDMN Cc1noc(C)c1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000924709697 1039616911 /nfs/dbraw/zinc/61/69/11/1039616911.db2.gz YZRKZKLHAZSMEX-ZDUSSCGKSA-N 0 1 331.485 3.695 20 10 EHCDMN CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756573752 1040847498 /nfs/dbraw/zinc/84/74/98/1040847498.db2.gz CIJMZEQNBXGFAS-FIXISWKDSA-N 0 1 330.266 3.602 20 10 EHCDMN CC(C)[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N1CCOCC1 ZINC000184915588 1126713183 /nfs/dbraw/zinc/71/31/83/1126713183.db2.gz IQBWVXIBSVDVLX-UZLBHIALSA-N 0 1 342.483 3.553 20 10 EHCDMN CC(=O)c1cc(F)cc(CN[C@H](c2ncc(C)s2)C2CC2)c1O ZINC000185334676 1126868522 /nfs/dbraw/zinc/86/85/22/1126868522.db2.gz KZFMXWJFAFKZPN-HNNXBMFYSA-N 0 1 334.416 3.740 20 10 EHCDMN C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000186074359 1127250234 /nfs/dbraw/zinc/25/02/34/1127250234.db2.gz CKGQTRFGVJWIBN-OAHLLOKOSA-N 0 1 329.440 3.782 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cnn(C3CCC3)c2)cc1F ZINC000921715489 1128661749 /nfs/dbraw/zinc/66/17/49/1128661749.db2.gz KJNBEKPXYJDJEI-UHFFFAOYSA-N 0 1 330.451 3.883 20 10 EHCDMN CCn1c(CN[C@@H](C)c2cc(OC)ccc2O)nc2cc(F)ccc21 ZINC000182379878 1125270676 /nfs/dbraw/zinc/27/06/76/1125270676.db2.gz RIUJXKNQKYYHDR-LBPRGKRZSA-N 0 1 343.402 3.760 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2csc(-c3ccco3)n2)c1 ZINC000182461819 1125298357 /nfs/dbraw/zinc/29/83/57/1125298357.db2.gz WDWTXKOKRZCXBA-LLVKDONJSA-N 0 1 330.409 3.968 20 10 EHCDMN CCOCc1cc(CNCc2nccc3c2CCCC3)ccc1OC ZINC000922466520 1129542734 /nfs/dbraw/zinc/54/27/34/1129542734.db2.gz JBTGQNYTULJRSY-UHFFFAOYSA-N 0 1 340.467 3.795 20 10 EHCDMN CCOCc1cc(CN[C@H](c2ccccn2)C2CC2)ccc1OC ZINC000922585209 1129583886 /nfs/dbraw/zinc/58/38/86/1129583886.db2.gz DMBAEAOBMFOCLO-FQEVSTJZSA-N 0 1 326.440 3.868 20 10 EHCDMN COc1ccc(CNCC(=O)Nc2cccc3ccccc32)cc1C ZINC000732230810 1130902639 /nfs/dbraw/zinc/90/26/39/1130902639.db2.gz AWFIXEGADFQCRW-UHFFFAOYSA-N 0 1 334.419 3.885 20 10 EHCDMN 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ZINC000811518482 1136098283 /nfs/dbraw/zinc/09/82/83/1136098283.db2.gz LQBOLCROBGGWOA-HOCLYGCPSA-N 0 1 325.811 3.718 20 10 EHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000747832238 1136279934 /nfs/dbraw/zinc/27/99/34/1136279934.db2.gz OOEDVVPRLNXBGG-IRXDYDNUSA-N 0 1 341.451 3.803 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000747832238 1136279937 /nfs/dbraw/zinc/27/99/37/1136279937.db2.gz OOEDVVPRLNXBGG-IRXDYDNUSA-N 0 1 341.451 3.803 20 10 EHCDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000747832238 1136279940 /nfs/dbraw/zinc/27/99/40/1136279940.db2.gz OOEDVVPRLNXBGG-IRXDYDNUSA-N 0 1 341.451 3.803 20 10 EHCDMN C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc2ccccc2c1[O-] ZINC000850561140 1136285929 /nfs/dbraw/zinc/28/59/29/1136285929.db2.gz IEPRFWZSAMZKHB-VFNWGFHPSA-N 0 1 343.467 3.764 20 10 EHCDMN OC1CCN(c2ccc(CN[C@@H]3CSc4ccccc43)cc2)CC1 ZINC000850565113 1136286907 /nfs/dbraw/zinc/28/69/07/1136286907.db2.gz 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ZINC000816522214 1136732808 /nfs/dbraw/zinc/73/28/08/1136732808.db2.gz OZNKBYMGFBWURN-CYBMUJFWSA-N 0 1 338.373 3.614 20 10 EHCDMN COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816556991 1136736166 /nfs/dbraw/zinc/73/61/66/1136736166.db2.gz ZVOFLRSJYXSCFD-SFHVURJKSA-N 0 1 348.446 3.923 20 10 EHCDMN C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816570917 1136738704 /nfs/dbraw/zinc/73/87/04/1136738704.db2.gz LMUFVSVFJRYWDF-CYBMUJFWSA-N 0 1 330.428 3.548 20 10 EHCDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(F)cc1[O-] ZINC000816600821 1136739827 /nfs/dbraw/zinc/73/98/27/1136739827.db2.gz IQXNUVHCCOUADO-QXMXGUDHSA-N 0 1 349.837 3.829 20 10 EHCDMN Cc1cc(CNC(=O)c2[nH]nc(C)c2C)c(C)n1-c1cccc(C)c1 ZINC001170858841 1136792666 /nfs/dbraw/zinc/79/26/66/1136792666.db2.gz RVVSBRBZIRAYGZ-UHFFFAOYSA-N 0 1 336.439 3.673 20 10 EHCDMN COc1ccc(O)c(CNCc2ccc(CSC(F)F)o2)c1 ZINC000114506192 1136799542 /nfs/dbraw/zinc/79/95/42/1136799542.db2.gz RBBRHLAPPPNUEH-UHFFFAOYSA-N 0 1 329.368 3.739 20 10 EHCDMN O=C(NCC[C@H]1CC1(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000856881853 1136820433 /nfs/dbraw/zinc/82/04/33/1136820433.db2.gz NWQYGVNVWQYFAJ-QMMMGPOBSA-N 0 1 339.169 3.544 20 10 EHCDMN Cc1cc(N(C)C)ccc1CNCc1cccc2c1OCCCO2 ZINC000115629045 1136909185 /nfs/dbraw/zinc/90/91/85/1136909185.db2.gz VVOQQPCTSFZHJZ-UHFFFAOYSA-N 0 1 326.440 3.512 20 10 EHCDMN Cc1ccc(O)c(CNCc2nc3cc(C(F)(F)F)ccc3n2C)c1 ZINC000858237164 1136951644 /nfs/dbraw/zinc/95/16/44/1136951644.db2.gz IBUBIFFNXXFCQY-UHFFFAOYSA-N 0 1 349.356 3.896 20 10 EHCDMN Cc1ccc(C(C)(C)C[NH2+]Cc2cc(Br)ccc2[O-])nc1 ZINC000858242221 1136951863 /nfs/dbraw/zinc/95/18/63/1136951863.db2.gz PXYBEMWHVZITFM-UHFFFAOYSA-N 0 1 349.272 3.926 20 10 EHCDMN Cc1csc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000858355236 1136961188 /nfs/dbraw/zinc/96/11/88/1136961188.db2.gz XXSIPUFSPFCWRE-HNNXBMFYSA-N 0 1 345.512 3.511 20 10 EHCDMN COc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000013994899 1137133911 /nfs/dbraw/zinc/13/39/11/1137133911.db2.gz SLWMRTZWJWLXPI-IBGZPJMESA-N 0 1 327.424 3.582 20 10 EHCDMN CCOC1CC2(C1)CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC000862365376 1137140372 /nfs/dbraw/zinc/14/03/72/1137140372.db2.gz QIKVBBSYCZEAQB-UHFFFAOYSA-N 0 1 340.261 3.546 20 10 EHCDMN CCOC1CC2(C1)CC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC000862365376 1137140373 /nfs/dbraw/zinc/14/03/73/1137140373.db2.gz QIKVBBSYCZEAQB-UHFFFAOYSA-N 0 1 340.261 3.546 20 10 EHCDMN CC1(C)CN(Cc2c(O)cccc2Br)[C@@H]1[C@@H]1CCCO1 ZINC000862371906 1137140877 /nfs/dbraw/zinc/14/08/77/1137140877.db2.gz NSHMPTKDVDKKNU-LSDHHAIUSA-N 0 1 340.261 3.544 20 10 EHCDMN CC(C)[C@H]1N(Cc2cc(F)c(N(C)C)cc2F)CC12CCOCC2 ZINC000862395222 1137142156 /nfs/dbraw/zinc/14/21/56/1137142156.db2.gz QCKCYBVRBHDMEM-GOSISDBHSA-N 0 1 338.442 3.668 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000862398376 1137142450 /nfs/dbraw/zinc/14/24/50/1137142450.db2.gz GUGHOWKUZQUBHV-ZDUSSCGKSA-N 0 1 333.229 3.539 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000862398376 1137142451 /nfs/dbraw/zinc/14/24/51/1137142451.db2.gz GUGHOWKUZQUBHV-ZDUSSCGKSA-N 0 1 333.229 3.539 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824750271 1137151941 /nfs/dbraw/zinc/15/19/41/1137151941.db2.gz GRUUIGXOJQTSKW-LBPRGKRZSA-N 0 1 340.261 3.594 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825046796 1137163193 /nfs/dbraw/zinc/16/31/93/1137163193.db2.gz XWOMDHSTSYJFKV-ABAIWWIYSA-N 0 1 341.377 3.816 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(OCC3CC3)nc2)cc1Cl ZINC000825190483 1137169704 /nfs/dbraw/zinc/16/97/04/1137169704.db2.gz KYMIKTFOEACOSR-UHFFFAOYSA-N 0 1 332.831 3.828 20 10 EHCDMN COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825277525 1137172667 /nfs/dbraw/zinc/17/26/67/1137172667.db2.gz BLKTVMVFQIZEPR-OAHLLOKOSA-N 0 1 333.815 3.976 20 10 EHCDMN Oc1cc(Br)ccc1CNCc1nc(C2CC2)cs1 ZINC000825365045 1137174924 /nfs/dbraw/zinc/17/49/24/1137174924.db2.gz FEKJXMOWHSDFNS-UHFFFAOYSA-N 0 1 339.258 3.778 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000825365045 1137174926 /nfs/dbraw/zinc/17/49/26/1137174926.db2.gz FEKJXMOWHSDFNS-UHFFFAOYSA-N 0 1 339.258 3.778 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1Cl ZINC000825385063 1137175933 /nfs/dbraw/zinc/17/59/33/1137175933.db2.gz PLBZOYKZYDWLPV-YTEVENLXSA-N 0 1 337.872 3.942 20 10 EHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c(O)cccc1F ZINC000119457605 1137186855 /nfs/dbraw/zinc/18/68/55/1137186855.db2.gz VCVHELDVNQMYSN-UHFFFAOYSA-N 0 1 342.414 3.794 20 10 EHCDMN CCCN1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC001143747371 1137196038 /nfs/dbraw/zinc/19/60/38/1137196038.db2.gz ONASOKRPOSZGKN-UHFFFAOYSA-N 0 1 339.483 3.570 20 10 EHCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000844936043 1137264081 /nfs/dbraw/zinc/26/40/81/1137264081.db2.gz HYCAAXKOGDOMKB-IBGZPJMESA-N 0 1 338.451 3.544 20 10 EHCDMN CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Br)ccc1[O-] ZINC000794834637 1137276481 /nfs/dbraw/zinc/27/64/81/1137276481.db2.gz OJEKOSXWUHNLRT-DZGCQCFKSA-N 0 1 342.277 3.747 20 10 EHCDMN Cc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(F)c1 ZINC000865429628 1137282888 /nfs/dbraw/zinc/28/28/88/1137282888.db2.gz ZWNLCANKWKAFFP-UHFFFAOYSA-N 0 1 342.458 3.633 20 10 EHCDMN Cc1cc2cc[nH]c2c(NCc2cc(Br)ccc2O)n1 ZINC001171173872 1137282939 /nfs/dbraw/zinc/28/29/39/1137282939.db2.gz AAHUOEIIBPOXAZ-UHFFFAOYSA-N 0 1 332.201 3.952 20 10 EHCDMN Cc1cc(O)c(CNCc2ncc(Br)s2)cc1C ZINC000865850253 1137316503 /nfs/dbraw/zinc/31/65/03/1137316503.db2.gz VWORLHAOVGRXND-UHFFFAOYSA-N 0 1 327.247 3.518 20 10 EHCDMN Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846279186 1137344917 /nfs/dbraw/zinc/34/49/17/1137344917.db2.gz WUQVBFHHTZFZCP-NLWGTHIKSA-N 0 1 342.483 3.670 20 10 EHCDMN CCOC(=O)c1cc(CN[C@H](C)c2ccc3ccccc3c2O)on1 ZINC000866516478 1137360770 /nfs/dbraw/zinc/36/07/70/1137360770.db2.gz UZNCMKJDXZGAAT-GFCCVEGCSA-N 0 1 340.379 3.561 20 10 EHCDMN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)c(F)c1)c1ccnn1C ZINC000866613001 1137369408 /nfs/dbraw/zinc/36/94/08/1137369408.db2.gz QIMUCRRWPSVTTN-HUUCEWRRSA-N 0 1 330.451 3.961 20 10 EHCDMN COc1ccc(N2CCCN(c3cc[nH+]c4c([O-])cccc34)CC2)cc1 ZINC000795072196 1137450011 /nfs/dbraw/zinc/45/00/11/1137450011.db2.gz DYBKHBCRAJRNAO-UHFFFAOYSA-N 0 1 349.434 3.666 20 10 EHCDMN CCCOc1ccc(CNCc2cccc(C(=O)N(C)C)c2)cc1C ZINC000873008261 1137587842 /nfs/dbraw/zinc/58/78/42/1137587842.db2.gz INGMWJVEZOEWCV-UHFFFAOYSA-N 0 1 340.467 3.775 20 10 EHCDMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(Br)cc1O ZINC000825738592 1137613916 /nfs/dbraw/zinc/61/39/16/1137613916.db2.gz PVKFOXVJDPCBGP-LDYMZIIASA-N 0 1 338.167 3.927 20 10 EHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825738592 1137613914 /nfs/dbraw/zinc/61/39/14/1137613914.db2.gz PVKFOXVJDPCBGP-LDYMZIIASA-N 0 1 338.167 3.927 20 10 EHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825738592 1137613915 /nfs/dbraw/zinc/61/39/15/1137613915.db2.gz PVKFOXVJDPCBGP-LDYMZIIASA-N 0 1 338.167 3.927 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1Cl ZINC000825732558 1137614409 /nfs/dbraw/zinc/61/44/09/1137614409.db2.gz TWQHXNJTAKNLAM-AATRIKPKSA-N 0 1 340.851 3.525 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1Cl ZINC000825773989 1137630341 /nfs/dbraw/zinc/63/03/41/1137630341.db2.gz SLMDIZIVHHHMSR-IBGZPJMESA-N 0 1 331.843 3.668 20 10 EHCDMN Cc1ccc(CN(Cc2ccc(N3CCC(O)CC3)cc2)C2CC2)o1 ZINC000876569626 1137655895 /nfs/dbraw/zinc/65/58/95/1137655895.db2.gz JJBNQFNCQYWGLJ-UHFFFAOYSA-N 0 1 340.467 3.714 20 10 EHCDMN Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825893433 1137659522 /nfs/dbraw/zinc/65/95/22/1137659522.db2.gz ZXMBOYOSLWXSJX-UHFFFAOYSA-N 0 1 339.233 3.784 20 10 EHCDMN CC[N@@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000825943289 1137671832 /nfs/dbraw/zinc/67/18/32/1137671832.db2.gz BMQNQUQTOBUIPG-AWEZNQCLSA-N 0 1 342.277 3.934 20 10 EHCDMN CC1(C)N[C@@H](c2cc(Cl)c(F)cc2O)N(c2ccccc2)C1=O ZINC000877856997 1137693655 /nfs/dbraw/zinc/69/36/55/1137693655.db2.gz JTXODUYHVRHJKK-OAHLLOKOSA-N 0 1 334.778 3.598 20 10 EHCDMN Cc1cccc(Cl)c1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000878242180 1137708341 /nfs/dbraw/zinc/70/83/41/1137708341.db2.gz NXOXLSSLCXOLBL-ZDUSSCGKSA-N 0 1 332.831 3.813 20 10 EHCDMN C[C@H]([NH2+]CCc1ccns1)c1cc(Br)ccc1[O-] ZINC000883247571 1137850390 /nfs/dbraw/zinc/85/03/90/1137850390.db2.gz OWHKTIJEBPIECL-VIFPVBQESA-N 0 1 327.247 3.505 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(Cl)cc1[O-] ZINC000883263687 1137851460 /nfs/dbraw/zinc/85/14/60/1137851460.db2.gz CMJPHORJEXKYAK-ZFWWWQNUSA-N 0 1 339.863 3.672 20 10 EHCDMN C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc2ccccc2c1[O-] ZINC000883276459 1137852020 /nfs/dbraw/zinc/85/20/20/1137852020.db2.gz LHEHWCRVGQCCLQ-GDBMZVCRSA-N 0 1 325.408 3.640 20 10 EHCDMN C[C@H]([NH2+]C1CCC2(COC2)CC1)c1cc(Br)ccc1[O-] ZINC000883381794 1137858347 /nfs/dbraw/zinc/85/83/47/1137858347.db2.gz TXXCODOLPPCAFZ-NSHDSACASA-N 0 1 340.261 3.765 20 10 EHCDMN COC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000886789188 1138141008 /nfs/dbraw/zinc/14/10/08/1138141008.db2.gz QFBQKTYJKIQQLP-GMBSWORKSA-N 0 1 329.440 3.638 20 10 EHCDMN COc1ccc(C(=O)C2CCN(Cc3cc(F)ccc3O)CC2)cc1 ZINC000179900312 1139791714 /nfs/dbraw/zinc/79/17/14/1139791714.db2.gz GLNHDJVAJYVEJA-UHFFFAOYSA-N 0 1 343.398 3.635 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000184854762 1140122896 /nfs/dbraw/zinc/12/28/96/1140122896.db2.gz JAFWQGOXCSABCZ-MEDUHNTESA-N 0 1 336.229 3.539 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000185319575 1140144546 /nfs/dbraw/zinc/14/45/46/1140144546.db2.gz JUWZTBLBGBMELE-ZXIHIIQKSA-N 0 1 340.261 3.763 20 10 EHCDMN C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cc(Br)ccc1[O-] ZINC000185534203 1140154197 /nfs/dbraw/zinc/15/41/97/1140154197.db2.gz RLUYLMUXDOAGKA-GQANPOSXSA-N 0 1 340.261 3.619 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(Br)cc1[O-] ZINC000185773790 1140169142 /nfs/dbraw/zinc/16/91/42/1140169142.db2.gz OLAKEMVNQMLSAA-HPGNRBDVSA-N 0 1 340.261 3.763 20 10 EHCDMN C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cc(Br)ccc1[O-] ZINC000186558571 1140209944 /nfs/dbraw/zinc/20/99/44/1140209944.db2.gz FWSKMOLVQUGPEN-GXFFZTMASA-N 0 1 340.217 3.522 20 10 EHCDMN CC[C@@H]([NH2+]CCN(C)C(C)C)c1cc(Br)ccc1[O-] ZINC000054110944 214216689 /nfs/dbraw/zinc/21/66/89/214216689.db2.gz QHURETTYXXJOFW-CQSZACIVSA-N 0 1 329.282 3.536 20 10 EHCDMN C[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(N2CCCCC2)cc1 ZINC000737476185 599888370 /nfs/dbraw/zinc/88/83/70/599888370.db2.gz FUMVFGIFCLMAOA-UHFFFAOYSA-N 0 1 328.412 3.600 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1O ZINC000825942395 601418922 /nfs/dbraw/zinc/41/89/22/601418922.db2.gz WTYXYDILJVVBDO-INIZCTEOSA-N 0 1 347.798 3.506 20 10 EHCDMN Cc1cc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])ccc1N1CCCCC1 ZINC000846265447 979433786 /nfs/dbraw/zinc/43/37/86/979433786.db2.gz JKVKZXCUKXPFAW-GOSISDBHSA-N 0 1 330.472 3.815 20 10 EHCDMN CCCCC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(=O)[O-] ZINC001595683669 982173281 /nfs/dbraw/zinc/17/32/81/982173281.db2.gz WSZCSPUWLUHSER-ZDUSSCGKSA-N 0 1 344.249 3.586 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cnn(CC)c1)c1cc(Br)ccc1[O-] ZINC000274898542 1015601584 /nfs/dbraw/zinc/60/15/84/1015601584.db2.gz KQSOUWDTVGDOHX-CQSZACIVSA-N 0 1 338.249 3.612 20 10 EHCDMN CN(C)c1ccc(C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C2CC2)cc1 ZINC001598318206 991312726 /nfs/dbraw/zinc/31/27/26/991312726.db2.gz SJDIMFIBHYKAPJ-UHFFFAOYSA-N 0 1 342.414 3.755 20 10 EHCDMN COc1ccc(C(C)(C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1F ZINC000528676628 1032564531 /nfs/dbraw/zinc/56/45/31/1032564531.db2.gz UHXAJCCXCJDBOD-UHFFFAOYSA-N 0 1 349.377 3.907 20 10 EHCDMN CC[C@H]([NH2+]CC1CCOCC1)c1cc(Br)ccc1[O-] ZINC000111155173 1017355827 /nfs/dbraw/zinc/35/58/27/1017355827.db2.gz HPXHUFXOLGEFGF-AWEZNQCLSA-N 0 1 328.250 3.622 20 10 EHCDMN Cc1c[nH]c2cccc(NCc3ccc(N4CCN(C)CC4)cc3)c12 ZINC001167434338 1020010942 /nfs/dbraw/zinc/01/09/42/1020010942.db2.gz JUARULCYJLIJBJ-UHFFFAOYSA-N 0 1 334.467 3.840 20 10 EHCDMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000588404456 1020591303 /nfs/dbraw/zinc/59/13/03/1020591303.db2.gz TTWBLUGWLCPQFG-UITAMQMPSA-N 0 1 349.390 3.894 20 10 EHCDMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000069751517 1020799864 /nfs/dbraw/zinc/79/98/64/1020799864.db2.gz ZAWMGSMWBKUDJF-RHSMWYFYSA-N 0 1 344.430 3.669 20 10 EHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172772860 1032936857 /nfs/dbraw/zinc/93/68/57/1032936857.db2.gz XPFLVCCSJXUADJ-MRXNPFEDSA-N 0 1 348.487 3.861 20 10 EHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172772860 1032936870 /nfs/dbraw/zinc/93/68/70/1032936870.db2.gz XPFLVCCSJXUADJ-MRXNPFEDSA-N 0 1 348.487 3.861 20 10 EHCDMN COc1ccccc1CN(Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000891598362 1022071978 /nfs/dbraw/zinc/07/19/78/1022071978.db2.gz QZHARKZXVQKIBN-UHFFFAOYSA-N 0 1 343.423 3.583 20 10 EHCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894603558 1022598436 /nfs/dbraw/zinc/59/84/36/1022598436.db2.gz TVZGKRSTJOSEAX-AWEZNQCLSA-N 0 1 348.668 3.545 20 10 EHCDMN CC[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000897732807 1033165875 /nfs/dbraw/zinc/16/58/75/1033165875.db2.gz HYAXQZHRXKBOOR-AWEZNQCLSA-N 0 1 345.340 3.818 20 10 EHCDMN CCCOc1ccc(CN2CCCC[C@H]2c2ccnn2C)c(O)c1 ZINC000281232424 1024794939 /nfs/dbraw/zinc/79/49/39/1024794939.db2.gz LCPFYWXRDSZOOV-SFHVURJKSA-N 0 1 329.444 3.642 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)ccc2ccccc21 ZINC000896280114 1025313261 /nfs/dbraw/zinc/31/32/61/1025313261.db2.gz LCDOJWOMDRXMNF-UKRRQHHQSA-N 0 1 325.330 3.745 20 10 EHCDMN Cc1nc(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])cs1 ZINC000273415808 1027416246 /nfs/dbraw/zinc/41/62/46/1027416246.db2.gz QVVDGTZKEMHTLD-SECBINFHSA-N 0 1 341.274 3.813 20 10 EHCDMN C[C@H]([NH2+]CC(C)(C)CCCO)c1cc(Br)ccc1[O-] ZINC000273454193 1027437035 /nfs/dbraw/zinc/43/70/35/1027437035.db2.gz GTVPHYVSGQYNKG-NSHDSACASA-N 0 1 330.266 3.604 20 10 EHCDMN CN(Cc1cc(Cl)cc(Br)c1O)CC(F)(F)F ZINC000708135306 1027843603 /nfs/dbraw/zinc/84/36/03/1027843603.db2.gz ZGYXGNBBZZLHCO-UHFFFAOYSA-N 0 1 332.547 3.802 20 10 EHCDMN COCC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C(C)C ZINC000708140215 1027875718 /nfs/dbraw/zinc/87/57/18/1027875718.db2.gz JGQRJNNHDYRYMW-UHFFFAOYSA-N 0 1 336.657 3.665 20 10 EHCDMN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000271708545 1029133513 /nfs/dbraw/zinc/13/35/13/1029133513.db2.gz UTMKUBGLWDQHEU-LBPRGKRZSA-N 0 1 331.387 3.902 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000093691248 1029337039 /nfs/dbraw/zinc/33/70/39/1029337039.db2.gz SFFUGHCXPZXHPI-AWEZNQCLSA-N 0 1 339.222 3.747 20 10 EHCDMN COCCCOc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000125820622 1029614253 /nfs/dbraw/zinc/61/42/53/1029614253.db2.gz RWEGAMDWICLDMF-UHFFFAOYSA-N 0 1 335.831 3.751 20 10 EHCDMN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(Br)cc1[O-] ZINC000527926421 1031419896 /nfs/dbraw/zinc/41/98/96/1031419896.db2.gz KXRHCEGGPJTZCG-VXGBXAGGSA-N 0 1 328.250 3.622 20 10 EHCDMN CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000226648213 1033338855 /nfs/dbraw/zinc/33/88/55/1033338855.db2.gz VETYNSZKGKDSOC-GFCCVEGCSA-N 0 1 340.851 3.535 20 10 EHCDMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000168242814 1033444165 /nfs/dbraw/zinc/44/41/65/1033444165.db2.gz CFELZKNCQXVQHB-STQMWFEESA-N 0 1 347.434 3.679 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cc(Br)ccc1[O-] ZINC000229556849 1034241692 /nfs/dbraw/zinc/24/16/92/1034241692.db2.gz VXXNJVKQUCJJKB-KYOSRNDESA-N 0 1 342.277 3.747 20 10 EHCDMN COCCN(Cc1cccs1)Cc1cc(Cl)cc(OC)c1O ZINC000761183601 1034272203 /nfs/dbraw/zinc/27/22/03/1034272203.db2.gz OCCOUJKXQQUEJJ-UHFFFAOYSA-N 0 1 341.860 3.764 20 10 EHCDMN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178093679 1035734383 /nfs/dbraw/zinc/73/43/83/1035734383.db2.gz GZDXEYLWGROQJH-CABCVRRESA-N 0 1 349.494 3.770 20 10 EHCDMN CC(=O)OC1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000156879015 1036053649 /nfs/dbraw/zinc/05/36/49/1036053649.db2.gz NIKYIDOZVUGNRQ-UHFFFAOYSA-N 0 1 343.423 3.545 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000323758669 1038921016 /nfs/dbraw/zinc/92/10/16/1038921016.db2.gz UWNKHEVQMRLVAJ-LRDDRELGSA-N 0 1 339.863 3.764 20 10 EHCDMN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCOCC1 ZINC000184915542 1038954763 /nfs/dbraw/zinc/95/47/63/1038954763.db2.gz IQBWVXIBSVDVLX-OXJNMPFZSA-N 0 1 342.483 3.553 20 10 EHCDMN COc1ccc2nc(CN[C@@H](C)c3cc(OC)ccc3O)sc2c1 ZINC000187427047 1039635815 /nfs/dbraw/zinc/63/58/15/1039635815.db2.gz QBFKUKADLWZVJA-NSHDSACASA-N 0 1 344.436 3.870 20 10 EHCDMN COc1cc(O)c(CNCc2cc(F)c(Cl)cc2F)cc1OC ZINC000279475587 1044118313 /nfs/dbraw/zinc/11/83/13/1044118313.db2.gz SPZDTBPNLMPWQR-UHFFFAOYSA-N 0 1 343.757 3.631 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cc1Cl ZINC001658652553 1126262687 /nfs/dbraw/zinc/26/26/87/1126262687.db2.gz FPIBHAHQENPNAQ-SFHVURJKSA-N 0 1 337.822 3.576 20 10 EHCDMN C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185203231 1126814662 /nfs/dbraw/zinc/81/46/62/1126814662.db2.gz RZTSWYJFHOGXLQ-OAHLLOKOSA-N 0 1 334.419 3.626 20 10 EHCDMN COc1cccc2c1OCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921739392 1128702693 /nfs/dbraw/zinc/70/26/93/1128702693.db2.gz RNDQOCDAFHYRQI-KRWDZBQOSA-N 0 1 325.408 3.634 20 10 EHCDMN CCc1cccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000762000805 1121049483 /nfs/dbraw/zinc/04/94/83/1121049483.db2.gz PDZBGDNTLOEQGF-UHFFFAOYSA-N 0 1 335.425 3.543 20 10 EHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000715737559 1128980490 /nfs/dbraw/zinc/98/04/90/1128980490.db2.gz LAJJQSHUGVSALP-MRVPVSSYSA-N 0 1 342.130 3.678 20 10 EHCDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2[O-])CCC1(F)F ZINC001235295721 1121452057 /nfs/dbraw/zinc/45/20/57/1121452057.db2.gz FJGXPVMFTTWJCS-QMMMGPOBSA-N 0 1 338.167 3.771 20 10 EHCDMN CN(C)C(=O)CN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000916568212 1122203774 /nfs/dbraw/zinc/20/37/74/1122203774.db2.gz TZRRAXBDHSVMRS-UHFFFAOYSA-N 0 1 334.504 3.507 20 10 EHCDMN CCOc1cccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1O ZINC000154309407 1122552028 /nfs/dbraw/zinc/55/20/28/1122552028.db2.gz GRKKUFDFHVCUCW-UHFFFAOYSA-N 0 1 342.395 3.864 20 10 EHCDMN Oc1ccccc1CN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000179562934 1123797241 /nfs/dbraw/zinc/79/72/41/1123797241.db2.gz AHDAMKKUSZPZNY-QGZVFWFLSA-N 0 1 348.240 3.728 20 10 EHCDMN C[C@H]1C[C@H]1c1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000179764106 1123851240 /nfs/dbraw/zinc/85/12/40/1123851240.db2.gz LXXUIHIBHHIZQY-OXJNMPFZSA-N 0 1 340.467 3.872 20 10 EHCDMN Cc1cc(CNCc2c3c(nn2C)CCC3)c(C)n1-c1ccccc1 ZINC000922295305 1129448184 /nfs/dbraw/zinc/44/81/84/1129448184.db2.gz WYZWKSJWIGXWHZ-UHFFFAOYSA-N 0 1 334.467 3.606 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000922520070 1129560434 /nfs/dbraw/zinc/56/04/34/1129560434.db2.gz JWWIYXMAPQTCOI-LRDDRELGSA-N 0 1 325.742 3.746 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922877970 1129700908 /nfs/dbraw/zinc/70/09/08/1129700908.db2.gz QQRRNDNGUJHEJC-CQSZACIVSA-N 0 1 333.229 3.717 20 10 EHCDMN Oc1cccc(Br)c1CN[C@@H]1CCCc2cccnc21 ZINC000922877970 1129700911 /nfs/dbraw/zinc/70/09/11/1129700911.db2.gz QQRRNDNGUJHEJC-CQSZACIVSA-N 0 1 333.229 3.717 20 10 EHCDMN CCN(C)c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000741752609 1131644141 /nfs/dbraw/zinc/64/41/41/1131644141.db2.gz CEKPXHWMUKWBRK-UHFFFAOYSA-N 0 1 340.467 3.718 20 10 EHCDMN C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000742160490 1131694994 /nfs/dbraw/zinc/69/49/94/1131694994.db2.gz CYPDTHZVSLYZJW-SZNDQCEHSA-N 0 1 341.426 3.982 20 10 EHCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000742716063 1131785062 /nfs/dbraw/zinc/78/50/62/1131785062.db2.gz VMKUTSUECIHCFT-WMLDXEAASA-N 0 1 341.785 3.926 20 10 EHCDMN COc1cc(C)c(NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000767737096 1133045650 /nfs/dbraw/zinc/04/56/50/1133045650.db2.gz BOKKRHNRSABBPH-UHFFFAOYSA-N 0 1 339.483 3.676 20 10 EHCDMN Cc1ccc2ncc(CN(Cc3ccc(N(C)C)cc3)C3CC3)n2c1 ZINC000768258778 1133118434 /nfs/dbraw/zinc/11/84/34/1133118434.db2.gz XABSZQAIQOOXBH-UHFFFAOYSA-N 0 1 334.467 3.873 20 10 EHCDMN CCOc1ccc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c(O)c1 ZINC000769108035 1133227405 /nfs/dbraw/zinc/22/74/05/1133227405.db2.gz XFFFAPGMGODFRG-MGPUTAFESA-N 0 1 327.424 3.753 20 10 EHCDMN CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000769121177 1133229919 /nfs/dbraw/zinc/22/99/19/1133229919.db2.gz CVCCYOWKOZNMAI-UHFFFAOYSA-N 0 1 332.227 3.617 20 10 EHCDMN C[C@@H]1c2ccccc2CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769351954 1133269067 /nfs/dbraw/zinc/26/90/67/1133269067.db2.gz OBAOWBCBNCRQQX-MRXNPFEDSA-N 0 1 340.442 3.782 20 10 EHCDMN CNc1ccc(C)cc1CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001179974382 1133309098 /nfs/dbraw/zinc/30/90/98/1133309098.db2.gz MJFVHLKREZJQGD-UHFFFAOYSA-N 0 1 343.446 3.507 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000769777098 1133340086 /nfs/dbraw/zinc/34/00/86/1133340086.db2.gz MWKVBCQWUUZGAP-OAQYLSRUSA-N 0 1 332.403 3.572 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000769777098 1133340090 /nfs/dbraw/zinc/34/00/90/1133340090.db2.gz MWKVBCQWUUZGAP-OAQYLSRUSA-N 0 1 332.403 3.572 20 10 EHCDMN CCC[N@H+](Cc1ccccc1[O-])CC1(C)CCN(C(=O)OCC)CC1 ZINC001180189746 1133346546 /nfs/dbraw/zinc/34/65/46/1133346546.db2.gz VYEGBTWHOOBPEN-UHFFFAOYSA-N 0 1 348.487 3.863 20 10 EHCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1(C)CCN(C(=O)OCC)CC1 ZINC001180189746 1133346552 /nfs/dbraw/zinc/34/65/52/1133346552.db2.gz VYEGBTWHOOBPEN-UHFFFAOYSA-N 0 1 348.487 3.863 20 10 EHCDMN Cc1cc(O)c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC001180340472 1133359293 /nfs/dbraw/zinc/35/92/93/1133359293.db2.gz WMYTYTAGLKKRBD-SFHVURJKSA-N 0 1 335.806 3.587 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC001180340472 1133359296 /nfs/dbraw/zinc/35/92/96/1133359296.db2.gz WMYTYTAGLKKRBD-SFHVURJKSA-N 0 1 335.806 3.587 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC001180340472 1133359301 /nfs/dbraw/zinc/35/93/01/1133359301.db2.gz WMYTYTAGLKKRBD-SFHVURJKSA-N 0 1 335.806 3.587 20 10 EHCDMN Cc1cc(O)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC001180340470 1133359441 /nfs/dbraw/zinc/35/94/41/1133359441.db2.gz WMYTYTAGLKKRBD-GOSISDBHSA-N 0 1 335.806 3.587 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC001180340470 1133359446 /nfs/dbraw/zinc/35/94/46/1133359446.db2.gz WMYTYTAGLKKRBD-GOSISDBHSA-N 0 1 335.806 3.587 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC001180340470 1133359452 /nfs/dbraw/zinc/35/94/52/1133359452.db2.gz WMYTYTAGLKKRBD-GOSISDBHSA-N 0 1 335.806 3.587 20 10 EHCDMN Cc1cnc([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000691501110 1133543876 /nfs/dbraw/zinc/54/38/76/1133543876.db2.gz MBLYZIOFQIPZJB-VIFPVBQESA-N 0 1 327.247 3.770 20 10 EHCDMN Cc1cnc([C@H](C)NCc2ccc(Br)cc2O)s1 ZINC000691501110 1133543879 /nfs/dbraw/zinc/54/38/79/1133543879.db2.gz MBLYZIOFQIPZJB-VIFPVBQESA-N 0 1 327.247 3.770 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)ccc2ccccc12 ZINC001183057887 1133764091 /nfs/dbraw/zinc/76/40/91/1133764091.db2.gz BPFFTHCRBGRRFP-HNNXBMFYSA-N 0 1 335.329 3.635 20 10 EHCDMN CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001183093470 1133767764 /nfs/dbraw/zinc/76/77/64/1133767764.db2.gz CDLNETVIQMNMCL-INIZCTEOSA-N 0 1 334.822 3.895 20 10 EHCDMN COCC[N@@H+](Cc1scnc1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000787311300 1133993832 /nfs/dbraw/zinc/99/38/32/1133993832.db2.gz VDWMEYFBJNOFIJ-UHFFFAOYSA-N 0 1 344.839 3.598 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000774818032 1134030255 /nfs/dbraw/zinc/03/02/55/1134030255.db2.gz BKLMEFBFQFQKOZ-INIZCTEOSA-N 0 1 342.395 3.818 20 10 EHCDMN COc1c([O-])c(C[N@H+](Cc2ccco2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774834115 1134035867 /nfs/dbraw/zinc/03/58/67/1134035867.db2.gz AQGFBOSSWZWFPG-UHFFFAOYSA-N 0 1 346.383 3.847 20 10 EHCDMN COc1c([O-])c(C[N@@H+](Cc2ccco2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774834115 1134035875 /nfs/dbraw/zinc/03/58/75/1134035875.db2.gz AQGFBOSSWZWFPG-UHFFFAOYSA-N 0 1 346.383 3.847 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000774841272 1134049564 /nfs/dbraw/zinc/04/95/64/1134049564.db2.gz SZAQOELCZCJMLQ-QEJZJMRPSA-N 0 1 334.416 3.710 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)C[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774874516 1134082750 /nfs/dbraw/zinc/08/27/50/1134082750.db2.gz CUNZNCSZTOSURS-ZDUSSCGKSA-N 0 1 330.384 3.545 20 10 EHCDMN CCc1ccc([C@@H]2CN(Cc3cc(OC)c(C)cc3O)CCO2)cc1 ZINC000790462723 1134417829 /nfs/dbraw/zinc/41/78/29/1134417829.db2.gz ZFQBDMALKFZMOB-NRFANRHFSA-N 0 1 341.451 3.845 20 10 EHCDMN CC[C@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000790788455 1134465244 /nfs/dbraw/zinc/46/52/44/1134465244.db2.gz XRXCSTYSUZQQSM-XJKSGUPXSA-N 0 1 338.879 3.562 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000792167080 1134662328 /nfs/dbraw/zinc/66/23/28/1134662328.db2.gz YZWYJBWHWDUZLO-MRXNPFEDSA-N 0 1 335.806 3.667 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775488864 1134935400 /nfs/dbraw/zinc/93/54/00/1134935400.db2.gz VTOBYLHVMVLNLS-FUHWJXTLSA-N 0 1 335.831 3.829 20 10 EHCDMN CC[C@H](NCc1cn(-c2ccccc2)nn1)c1cc(Cl)ccc1O ZINC000775527237 1135010725 /nfs/dbraw/zinc/01/07/25/1135010725.db2.gz PKXNPXYBZNBIGD-KRWDZBQOSA-N 0 1 342.830 3.867 20 10 EHCDMN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000775581405 1135118281 /nfs/dbraw/zinc/11/82/81/1135118281.db2.gz OFZFVOOPLUHXSI-AVGNSLFASA-N 0 1 340.851 3.563 20 10 EHCDMN CO[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)(C)C ZINC000805167174 1135242367 /nfs/dbraw/zinc/24/23/67/1135242367.db2.gz YJWISGFTDMQWKV-GFCCVEGCSA-N 0 1 349.258 3.559 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(Br)cc1[O-] ZINC000806178692 1135411765 /nfs/dbraw/zinc/41/17/65/1135411765.db2.gz WQYKIKLPJXBYGU-WDEREUQCSA-N 0 1 330.291 3.949 20 10 EHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775661734 1135437488 /nfs/dbraw/zinc/43/74/88/1135437488.db2.gz QTMAIVJKUBPBQV-MRVPVSSYSA-N 0 1 349.066 3.759 20 10 EHCDMN CN(Cc1nc2ccccc2n1C)Cc1cc(Cl)cc(F)c1O ZINC000775695860 1135532577 /nfs/dbraw/zinc/53/25/77/1135532577.db2.gz RNQARWVTBSNZOX-UHFFFAOYSA-N 0 1 333.794 3.703 20 10 EHCDMN O=C(CCCn1cccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839594 1135581382 /nfs/dbraw/zinc/58/13/82/1135581382.db2.gz PFTNHPYMRAPEKN-UHFFFAOYSA-N 0 1 327.211 3.597 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1Cc2ccc(F)cc21 ZINC000807838678 1135581426 /nfs/dbraw/zinc/58/14/26/1135581426.db2.gz OAJICXHPOWPCBW-CYBMUJFWSA-N 0 1 340.181 3.794 20 10 EHCDMN COc1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839118 1135581471 /nfs/dbraw/zinc/58/14/71/1135581471.db2.gz HZFYJNNAPFQMBW-UHFFFAOYSA-N 0 1 326.179 3.638 20 10 EHCDMN COCc1nc(C)cc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808090272 1135616915 /nfs/dbraw/zinc/61/69/15/1135616915.db2.gz WWEJRFBLAZUTDF-UHFFFAOYSA-N 0 1 328.199 3.556 20 10 EHCDMN c1cnn(-c2ccncc2NCc2ccc(N3CCCCC3)cc2)c1 ZINC000809632775 1135862952 /nfs/dbraw/zinc/86/29/52/1135862952.db2.gz VSTFOAWPEXTTKO-UHFFFAOYSA-N 0 1 333.439 3.870 20 10 EHCDMN Oc1c(Br)cccc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000809692929 1135867435 /nfs/dbraw/zinc/86/74/35/1135867435.db2.gz JWCIFBYMCIAMHW-AWEZNQCLSA-N 0 1 336.233 3.605 20 10 EHCDMN CC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)C[C@H](C)[S@]1=O ZINC000809700460 1135868948 /nfs/dbraw/zinc/86/89/48/1135868948.db2.gz HCSFQEIOTPWYNN-OFJJYEOVSA-N 0 1 343.492 3.791 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000809715369 1135877024 /nfs/dbraw/zinc/87/70/24/1135877024.db2.gz IDNKPNKENSYQSG-CXAGYDPISA-N 0 1 342.395 3.892 20 10 EHCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000809715369 1135877026 /nfs/dbraw/zinc/87/70/26/1135877026.db2.gz IDNKPNKENSYQSG-CXAGYDPISA-N 0 1 342.395 3.892 20 10 EHCDMN CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000809720593 1135877983 /nfs/dbraw/zinc/87/79/83/1135877983.db2.gz JDVIFDRCIJBHGB-CQSZACIVSA-N 0 1 340.851 3.535 20 10 EHCDMN CCCn1ccnc1CCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809755209 1135886867 /nfs/dbraw/zinc/88/68/67/1135886867.db2.gz ICZUFYOYXCBUPS-UHFFFAOYSA-N 0 1 339.842 3.856 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217039 1135938306 /nfs/dbraw/zinc/93/83/06/1135938306.db2.gz VGNLXAYXZHSWOI-GDBMZVCRSA-N 0 1 342.405 3.936 20 10 EHCDMN CC[C@H]([NH2+][C@H](C)[C@@H](CO)SC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219004 1135938810 /nfs/dbraw/zinc/93/88/10/1135938810.db2.gz MYWSBUPOXZCGRP-LJWDBELGSA-N 0 1 337.407 3.564 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226921 1135940890 /nfs/dbraw/zinc/94/08/90/1135940890.db2.gz NZMDAUIYKQLCSD-GXTWGEPZSA-N 0 1 339.361 3.732 20 10 EHCDMN CC[C@H]([NH2+]CC1(OC)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228574 1135941563 /nfs/dbraw/zinc/94/15/63/1135941563.db2.gz VZZWWELNKJBCES-AWEZNQCLSA-N 0 1 347.377 3.647 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229119 1135941575 /nfs/dbraw/zinc/94/15/75/1135941575.db2.gz SPDRPJTVNZAAAR-ZYHUDNBSSA-N 0 1 345.283 3.765 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cc(C)nn1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240851 1135946742 /nfs/dbraw/zinc/94/67/42/1135946742.db2.gz HFQOMMDEFFOVJW-CQSZACIVSA-N 0 1 327.350 3.694 20 10 EHCDMN CC[C@H]([NH2+]Cc1cc(C)nn1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240850 1135946756 /nfs/dbraw/zinc/94/67/56/1135946756.db2.gz HFQOMMDEFFOVJW-AWEZNQCLSA-N 0 1 327.350 3.694 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518087 1136098069 /nfs/dbraw/zinc/09/80/69/1136098069.db2.gz GJDUANFPMCOCMS-ZBFHGGJFSA-N 0 1 325.811 3.718 20 10 EHCDMN CC(C)[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C ZINC000776251707 1136101594 /nfs/dbraw/zinc/10/15/94/1136101594.db2.gz UNDCMOUXRHYKIN-ZDUSSCGKSA-N 0 1 331.815 3.641 20 10 EHCDMN CC[C@@H](C)n1nc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000776258261 1136108684 /nfs/dbraw/zinc/10/86/84/1136108684.db2.gz QQIIGYFOJOXNKR-MRXNPFEDSA-N 0 1 341.503 3.526 20 10 EHCDMN C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@@H]1CCCOC1 ZINC000107670991 1136175590 /nfs/dbraw/zinc/17/55/90/1136175590.db2.gz VBRHXDRZPNPYKG-AWEZNQCLSA-N 0 1 329.440 3.876 20 10 EHCDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@@H]1CCCOC1 ZINC000107670991 1136175593 /nfs/dbraw/zinc/17/55/93/1136175593.db2.gz VBRHXDRZPNPYKG-AWEZNQCLSA-N 0 1 329.440 3.876 20 10 EHCDMN COc1cc(CN[C@@H]2C[C@H](C)n3ccnc32)c(O)c(C(C)(C)C)c1 ZINC000850315189 1136234674 /nfs/dbraw/zinc/23/46/74/1136234674.db2.gz QXLJIHZOHBGVFV-BLLLJJGKSA-N 0 1 329.444 3.690 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccn(C2CCOCC2)n1 ZINC000850383350 1136246880 /nfs/dbraw/zinc/24/68/80/1136246880.db2.gz BZQOULNZSHJJOT-UHFFFAOYSA-N 0 1 342.226 3.859 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(Cl)ccc1[O-] ZINC000850501508 1136272814 /nfs/dbraw/zinc/27/28/14/1136272814.db2.gz NMRIQJXZXDOIOL-HNGAVHBYSA-N 0 1 329.893 3.776 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178197 1136412186 /nfs/dbraw/zinc/41/21/86/1136412186.db2.gz GUEKZCWPBVPARQ-CYBMUJFWSA-N 0 1 330.255 3.948 20 10 EHCDMN Oc1ccccc1CN(Cc1cnc2ccccc2n1)C[C@H]1CCCO1 ZINC000851840353 1136412771 /nfs/dbraw/zinc/41/27/71/1136412771.db2.gz DKLRCZBKINHMSR-GOSISDBHSA-N 0 1 349.434 3.517 20 10 EHCDMN CN(c1ccccc1)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000853584512 1136546320 /nfs/dbraw/zinc/54/63/20/1136546320.db2.gz JSZZZPZCQXABKV-SFHVURJKSA-N 0 1 333.435 3.651 20 10 EHCDMN CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000853584512 1136546321 /nfs/dbraw/zinc/54/63/21/1136546321.db2.gz JSZZZPZCQXABKV-SFHVURJKSA-N 0 1 333.435 3.651 20 10 EHCDMN COc1ccc(F)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000816481366 1136722858 /nfs/dbraw/zinc/72/28/58/1136722858.db2.gz SEBZOHVRPJHIEJ-GOSISDBHSA-N 0 1 345.414 3.721 20 10 EHCDMN O=C(c1ccccc1)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816477724 1136723067 /nfs/dbraw/zinc/72/30/67/1136723067.db2.gz IDOOYILGWHJYFJ-UHFFFAOYSA-N 0 1 346.430 3.503 20 10 EHCDMN CC(C)CNC(=O)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816484196 1136723790 /nfs/dbraw/zinc/72/37/90/1136723790.db2.gz SRKLGIFEPKLTAL-UHFFFAOYSA-N 0 1 340.467 3.530 20 10 EHCDMN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816499193 1136727524 /nfs/dbraw/zinc/72/75/24/1136727524.db2.gz IQKRAZVMOZKOME-INIZCTEOSA-N 0 1 340.467 3.674 20 10 EHCDMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816499193 1136727526 /nfs/dbraw/zinc/72/75/26/1136727526.db2.gz IQKRAZVMOZKOME-INIZCTEOSA-N 0 1 340.467 3.674 20 10 EHCDMN COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc3ccccc3c1[O-])C2 ZINC000816546413 1136732563 /nfs/dbraw/zinc/73/25/63/1136732563.db2.gz JLKMKSNAXKCSDK-KRWDZBQOSA-N 0 1 335.403 3.647 20 10 EHCDMN CN(CC[NH2+]Cc1ccc2ccccc2c1[O-])Cc1ccc(F)cc1 ZINC000816555997 1136736265 /nfs/dbraw/zinc/73/62/65/1136736265.db2.gz WHZGPGTYMKEIKU-UHFFFAOYSA-N 0 1 338.426 3.906 20 10 EHCDMN [O-]c1c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)ccc2ccccc21 ZINC000816570697 1136738934 /nfs/dbraw/zinc/73/89/34/1136738934.db2.gz DOKPYKFTKBEDEC-UHFFFAOYSA-N 0 1 348.446 3.860 20 10 EHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](O)Cc1ccccc1 ZINC000816625096 1136739477 /nfs/dbraw/zinc/73/94/77/1136739477.db2.gz RATQOOALQVVMFR-HNNXBMFYSA-N 0 1 340.250 3.734 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ncccc1Cl ZINC000816681963 1136748196 /nfs/dbraw/zinc/74/81/96/1136748196.db2.gz LEEHKAGKORJXOR-UHFFFAOYSA-N 0 1 331.586 3.677 20 10 EHCDMN COc1ccc(N2CC[C@H](C[NH2+]Cc3c([O-])cccc3Cl)C2)cc1 ZINC000818221947 1136867657 /nfs/dbraw/zinc/86/76/57/1136867657.db2.gz POGKXWIJJSYTSR-CQSZACIVSA-N 0 1 346.858 3.670 20 10 EHCDMN COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(F)ccc3[O-])C2)cc1 ZINC000818341819 1136872406 /nfs/dbraw/zinc/87/24/06/1136872406.db2.gz HFFYXAALOIJZKI-CABCVRRESA-N 0 1 344.430 3.717 20 10 EHCDMN Cc1nc(C)c(CC[NH2+]Cc2c([O-])cccc2Br)s1 ZINC000858131910 1136942184 /nfs/dbraw/zinc/94/21/84/1136942184.db2.gz MVULTEJLPDTQQB-UHFFFAOYSA-N 0 1 341.274 3.560 20 10 EHCDMN C[C@]1(CC[NH2+]Cc2c([O-])cccc2Br)C[C@]1(F)Cl ZINC000858184151 1136947265 /nfs/dbraw/zinc/94/72/65/1136947265.db2.gz IKVULKFZYXUBBN-QWHCGFSZSA-N 0 1 336.632 3.949 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000858192506 1136948295 /nfs/dbraw/zinc/94/82/95/1136948295.db2.gz MONDSNKCWIWBOD-OAHLLOKOSA-N 0 1 334.213 3.637 20 10 EHCDMN Cc1cc(CNCc2cnc([C@@H](C)O)s2)c(C)n1-c1ccccc1 ZINC000858294998 1136955875 /nfs/dbraw/zinc/95/58/75/1136955875.db2.gz SEQUUJJKURKRDM-OAHLLOKOSA-N 0 1 341.480 3.894 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000819902961 1136966067 /nfs/dbraw/zinc/96/60/67/1136966067.db2.gz JAKAKNXOEAJCLV-HXUWFJFHSA-N 0 1 338.451 3.722 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000819902961 1136966068 /nfs/dbraw/zinc/96/60/68/1136966068.db2.gz JAKAKNXOEAJCLV-HXUWFJFHSA-N 0 1 338.451 3.722 20 10 EHCDMN CCCO[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862242925 1137134551 /nfs/dbraw/zinc/13/45/51/1137134551.db2.gz UQDLFTMBAYHGIO-CYBMUJFWSA-N 0 1 342.277 3.936 20 10 EHCDMN CCCO[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862242925 1137134553 /nfs/dbraw/zinc/13/45/53/1137134553.db2.gz UQDLFTMBAYHGIO-CYBMUJFWSA-N 0 1 342.277 3.936 20 10 EHCDMN Cn1cccc1[C@H]1CCCN1Cc1ccc(Br)cc1O ZINC000824530374 1137141744 /nfs/dbraw/zinc/14/17/44/1137141744.db2.gz ZFWZACFRDLRTOS-OAHLLOKOSA-N 0 1 335.245 3.830 20 10 EHCDMN CC[C@@H](N[C@@H]1CCn2ccnc21)c1ccc(C(F)(F)F)cc1O ZINC000824533912 1137141808 /nfs/dbraw/zinc/14/18/08/1137141808.db2.gz SGWSDWOZWHDKAL-CHWSQXEVSA-N 0 1 325.334 3.793 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862485577 1137146693 /nfs/dbraw/zinc/14/66/93/1137146693.db2.gz PSDKDLCYMLIVKU-TZMCWYRMSA-N 0 1 339.863 3.845 20 10 EHCDMN CC(C)Oc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000824726625 1137150347 /nfs/dbraw/zinc/15/03/47/1137150347.db2.gz PWNNQIKFZLHFSM-UHFFFAOYSA-N 0 1 339.483 3.838 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030056 1137162549 /nfs/dbraw/zinc/16/25/49/1137162549.db2.gz DAQPMEAONGUHLF-CJNGLKHVSA-N 0 1 337.847 3.553 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]C2CCN(c3ccccn3)CC2)cc1Cl ZINC000825113333 1137166044 /nfs/dbraw/zinc/16/60/44/1137166044.db2.gz ACRVJSAOJUCGDU-UHFFFAOYSA-N 0 1 331.847 3.508 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000825255011 1137170793 /nfs/dbraw/zinc/17/07/93/1137170793.db2.gz WTPBVTFLPQUGDP-CQSZACIVSA-N 0 1 334.213 3.637 20 10 EHCDMN COCC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccco1 ZINC000825475888 1137179178 /nfs/dbraw/zinc/17/91/78/1137179178.db2.gz XHKVTVJDDRNMMO-ZDUSSCGKSA-N 0 1 340.217 3.615 20 10 EHCDMN Oc1cc2c(cc1CN1CCO[C@H](CCF)C1)oc1ccccc12 ZINC000863315857 1137180815 /nfs/dbraw/zinc/18/08/15/1137180815.db2.gz GMKZZAOTHQCPJF-CQSZACIVSA-N 0 1 329.371 3.852 20 10 EHCDMN O=C([O-])C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C1CCCCC1 ZINC000864520762 1137231868 /nfs/dbraw/zinc/23/18/68/1137231868.db2.gz FVIPQEVZQDHZIA-GFCCVEGCSA-N 0 1 343.826 3.946 20 10 EHCDMN OCC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)c(F)c1 ZINC000865654217 1137302291 /nfs/dbraw/zinc/30/22/91/1137302291.db2.gz MAANLKNZMPYBSQ-KRWDZBQOSA-N 0 1 335.806 3.627 20 10 EHCDMN Cc1ncc([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000865701688 1137305292 /nfs/dbraw/zinc/30/52/92/1137305292.db2.gz PDFUNJQWQLYGKA-MRVPVSSYSA-N 0 1 327.247 3.770 20 10 EHCDMN CC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1nnc2n1CCCCC2 ZINC000846143410 1137338666 /nfs/dbraw/zinc/33/86/66/1137338666.db2.gz FKSRSYVYXQGXAL-UKRRQHHQSA-N 0 1 344.459 3.521 20 10 EHCDMN CC[C@@H]([NH2+][C@H](C)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000866613061 1137369295 /nfs/dbraw/zinc/36/92/95/1137369295.db2.gz FDZWUQSRGRUQEU-ZWNOBZJWSA-N 0 1 338.249 3.690 20 10 EHCDMN CC[C@H](N[C@@H](CO)c1ccccc1OC)c1ccc(N(C)C)cc1 ZINC000773010756 1137458718 /nfs/dbraw/zinc/45/87/18/1137458718.db2.gz RXUSUBAXRBNIMG-OALUTQOASA-N 0 1 328.456 3.536 20 10 EHCDMN CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cc(Br)ccc1[O-] ZINC000714476904 1137473091 /nfs/dbraw/zinc/47/30/91/1137473091.db2.gz NAENQXFOJCTCPX-SUHUHFCYSA-N 0 1 328.250 3.620 20 10 EHCDMN CCCCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O ZINC000802657524 1137475641 /nfs/dbraw/zinc/47/56/41/1137475641.db2.gz HPRXADZDMUIYAI-UHFFFAOYSA-N 0 1 347.480 3.598 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cccc(O)c1F ZINC000872026212 1137565867 /nfs/dbraw/zinc/56/58/67/1137565867.db2.gz ZDKZUFBLIKIPAI-CQSZACIVSA-N 0 1 346.471 3.935 20 10 EHCDMN CCCCN(Cc1cc(C(F)(F)F)nn1C)Cc1ccccc1O ZINC000825788316 1137633040 /nfs/dbraw/zinc/63/30/40/1137633040.db2.gz FDJKRFWWABUJGT-UHFFFAOYSA-N 0 1 341.377 3.947 20 10 EHCDMN CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc(C)cc1O ZINC000876537236 1137654811 /nfs/dbraw/zinc/65/48/11/1137654811.db2.gz NMLDGGPMIBAFND-UHFFFAOYSA-N 0 1 342.439 3.560 20 10 EHCDMN OC1CCN(c2ccc(CN3CC[C@H]3c3cccc(F)c3)cc2)CC1 ZINC000876774889 1137660926 /nfs/dbraw/zinc/66/09/26/1137660926.db2.gz JOGUMZPJWNSBTK-NRFANRHFSA-N 0 1 340.442 3.734 20 10 EHCDMN O=C(c1cccc(NCc2ccc(F)c(F)c2O)c1)N1CCCCC1 ZINC000876847972 1137663609 /nfs/dbraw/zinc/66/36/09/1137663609.db2.gz FPKHACCBUXWTID-UHFFFAOYSA-N 0 1 346.377 3.909 20 10 EHCDMN Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(O)c1 ZINC000877056113 1137668829 /nfs/dbraw/zinc/66/88/29/1137668829.db2.gz YPPVDBRTOFLTKJ-VQIMIIECSA-N 0 1 330.497 3.935 20 10 EHCDMN Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000877056108 1137668881 /nfs/dbraw/zinc/66/88/81/1137668881.db2.gz YPPVDBRTOFLTKJ-APWZRJJASA-N 0 1 330.497 3.935 20 10 EHCDMN CCc1ccc(C)nc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877623147 1137683248 /nfs/dbraw/zinc/68/32/48/1137683248.db2.gz JJOPUUDVKAEVTK-UHFFFAOYSA-N 0 1 325.456 3.526 20 10 EHCDMN Cc1csc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000877812654 1137690892 /nfs/dbraw/zinc/69/08/92/1137690892.db2.gz DGWKBHCMGGCCIV-JTQLQIEISA-N 0 1 326.824 3.939 20 10 EHCDMN C[C@@H]([NH2+]CCc1ccns1)c1cc(Br)ccc1[O-] ZINC000883247570 1137850402 /nfs/dbraw/zinc/85/04/02/1137850402.db2.gz OWHKTIJEBPIECL-SECBINFHSA-N 0 1 327.247 3.505 20 10 EHCDMN C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc2ccccc2c1[O-] ZINC000883276460 1137852007 /nfs/dbraw/zinc/85/20/07/1137852007.db2.gz LHEHWCRVGQCCLQ-GOEBONIOSA-N 0 1 325.408 3.640 20 10 EHCDMN CCN(CC)c1ccc(CNCc2ccnc(-c3ccccn3)n2)cc1 ZINC000883287908 1137852836 /nfs/dbraw/zinc/85/28/36/1137852836.db2.gz KQRHMRFGHOZGKD-UHFFFAOYSA-N 0 1 347.466 3.675 20 10 EHCDMN CCN(C)c1ccc([C@@H](C)NCc2ccnc(-c3ccccn3)n2)cc1 ZINC000883293481 1137853254 /nfs/dbraw/zinc/85/32/54/1137853254.db2.gz USYRPGNICYAGIK-MRXNPFEDSA-N 0 1 347.466 3.846 20 10 EHCDMN COc1ccc(OC)c(CN(Cc2cccc(OC)c2O)C2CC2)c1 ZINC000133406353 1137890115 /nfs/dbraw/zinc/89/01/15/1137890115.db2.gz FKDWUUQQPFHRLU-UHFFFAOYSA-N 0 1 343.423 3.583 20 10 EHCDMN COc1nc2ccccc2cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001137208084 1137950461 /nfs/dbraw/zinc/95/04/61/1137950461.db2.gz LZQJWBFCIDSLPY-UHFFFAOYSA-N 0 1 335.451 3.941 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2nc3cc(Cl)ccc3n2C)c1 ZINC000182355857 1139967100 /nfs/dbraw/zinc/96/71/00/1139967100.db2.gz SWQYQXHMRQAVAB-LLVKDONJSA-N 0 1 345.830 3.792 20 10 EHCDMN CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000182555049 1139979891 /nfs/dbraw/zinc/97/98/91/1139979891.db2.gz YVCWCJARESKCRZ-LLVKDONJSA-N 0 1 344.386 3.543 20 10 EHCDMN CC1CCN(c2ccc(CN[C@@H](c3nccn3C)C3CC3)cc2)CC1 ZINC000183273960 1140026886 /nfs/dbraw/zinc/02/68/86/1140026886.db2.gz YOWRELDWBVFHKF-HXUWFJFHSA-N 0 1 338.499 3.897 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000691388415 1140036015 /nfs/dbraw/zinc/03/60/15/1140036015.db2.gz PXXHRWPIQXETIQ-NOLJZWGESA-N 0 1 340.261 3.763 20 10 EHCDMN COc1cc(Cl)cc(CN(C)Cc2ccc(Cl)nc2)c1O ZINC000184677394 1140114837 /nfs/dbraw/zinc/11/48/37/1140114837.db2.gz PREGGCSQUBZEKX-UHFFFAOYSA-N 0 1 327.211 3.735 20 10 EHCDMN Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])cnn1C ZINC000185001697 1140130585 /nfs/dbraw/zinc/13/05/85/1140130585.db2.gz ANUQRCWBFZQCAP-NXEZZACHSA-N 0 1 338.249 3.608 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000185319594 1140144444 /nfs/dbraw/zinc/14/44/44/1140144444.db2.gz JUWZTBLBGBMELE-NKFCBESUSA-N 0 1 340.261 3.763 20 10 EHCDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000271599160 1141404640 /nfs/dbraw/zinc/40/46/40/1141404640.db2.gz ZLHABCWOHBAKLH-LSDHHAIUSA-N 0 1 327.476 3.769 20 10 EHCDMN CC[C@H]([NH2+]CCc1cscn1)c1cc(Br)ccc1[O-] ZINC000104448659 219387858 /nfs/dbraw/zinc/38/78/58/219387858.db2.gz JQWRSOMCQBWDSB-ZDUSSCGKSA-N 0 1 341.274 3.895 20 10 EHCDMN CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833450772 604867998 /nfs/dbraw/zinc/86/79/98/604867998.db2.gz ZVRCCHPKXKDGRY-CQSZACIVSA-N 0 1 349.471 3.718 20 10 EHCDMN CCCC[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1O ZINC001595749261 982422840 /nfs/dbraw/zinc/42/28/40/982422840.db2.gz UWYRQCBBDDXDNV-ZHACJKMWSA-N 0 1 329.396 3.885 20 10 EHCDMN CCc1ccccc1CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001597609872 988500732 /nfs/dbraw/zinc/50/07/32/988500732.db2.gz XBONTEWTNNNWQY-UHFFFAOYSA-N 0 1 347.842 3.737 20 10 EHCDMN CC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000275299905 1016335538 /nfs/dbraw/zinc/33/55/38/1016335538.db2.gz HUXWTRDRVQINFR-GFCCVEGCSA-N 0 1 341.293 3.598 20 10 EHCDMN Cc1csc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000162286569 1017784107 /nfs/dbraw/zinc/78/41/07/1017784107.db2.gz PPHUGMUOZGNXKD-HUUCEWRRSA-N 0 1 331.485 3.700 20 10 EHCDMN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275876511 1019268216 /nfs/dbraw/zinc/26/82/16/1019268216.db2.gz APRHTXQBLLFBJM-WGSAOQKQSA-N 0 1 341.451 3.707 20 10 EHCDMN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275876511 1019268231 /nfs/dbraw/zinc/26/82/31/1019268231.db2.gz APRHTXQBLLFBJM-WGSAOQKQSA-N 0 1 341.451 3.707 20 10 EHCDMN CN(C)c1ccc(CN[C@@H](CO)c2ccccc2)c(C(F)(F)F)c1 ZINC000280361056 1020344938 /nfs/dbraw/zinc/34/49/38/1020344938.db2.gz SBDRSTZFLQTYQM-KRWDZBQOSA-N 0 1 338.373 3.595 20 10 EHCDMN Cc1cc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(C)o1 ZINC000066990799 1020591652 /nfs/dbraw/zinc/59/16/52/1020591652.db2.gz GXQPZDFALJILLR-CQSZACIVSA-N 0 1 332.419 3.723 20 10 EHCDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000069751514 1020799710 /nfs/dbraw/zinc/79/97/10/1020799710.db2.gz ZAWMGSMWBKUDJF-PBHICJAKSA-N 0 1 344.430 3.669 20 10 EHCDMN CCOc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000891466968 1021708341 /nfs/dbraw/zinc/70/83/41/1021708341.db2.gz AARLFZLHTQXWBH-MRXNPFEDSA-N 0 1 331.412 3.565 20 10 EHCDMN C[C@](O)(C1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1)C(F)(F)F ZINC001140465884 1022360178 /nfs/dbraw/zinc/36/01/78/1022360178.db2.gz TZEQMDUDJIDQIX-AWEZNQCLSA-N 0 1 337.769 3.571 20 10 EHCDMN C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1c(O)ccc2ccccc21 ZINC000176125698 1023183888 /nfs/dbraw/zinc/18/38/88/1023183888.db2.gz IUGXSFRXYPQETN-DEOSSOPVSA-N 0 1 339.460 3.915 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccccc1OCC(F)F ZINC000895135566 1024849236 /nfs/dbraw/zinc/84/92/36/1024849236.db2.gz CBJDYARWSWVQCN-UHFFFAOYSA-N 0 1 327.758 3.979 20 10 EHCDMN CC[C@H](C)N(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435607188 1025032017 /nfs/dbraw/zinc/03/20/17/1025032017.db2.gz LHFNCANBWAMZEC-INIZCTEOSA-N 0 1 341.499 3.665 20 10 EHCDMN CCCOc1ccc(CN[C@H]2c3ccccc3OC[C@H]2CO)cc1C ZINC000897948872 1033256044 /nfs/dbraw/zinc/25/60/44/1033256044.db2.gz RSBIUISSYQPOJJ-DYESRHJHSA-N 0 1 341.451 3.616 20 10 EHCDMN COC1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000840793327 1026311359 /nfs/dbraw/zinc/31/13/59/1026311359.db2.gz XDIAYJGSAZCCSJ-QFWMXSHPSA-N 0 1 328.250 3.763 20 10 EHCDMN CC1(C)C[C@H](O)c2cccc(NCc3ccc(F)c(F)c3O)c2O1 ZINC000897132319 1026394639 /nfs/dbraw/zinc/39/46/39/1026394639.db2.gz LWMFXZSZEDFOMR-AWEZNQCLSA-N 0 1 335.350 3.877 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000113323710 1026548371 /nfs/dbraw/zinc/54/83/71/1026548371.db2.gz VFWZYYKYSLCHJR-UHFFFAOYSA-N 0 1 331.847 3.721 20 10 EHCDMN C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000273435099 1027424695 /nfs/dbraw/zinc/42/46/95/1027424695.db2.gz WSLNWGNQHQVFQA-LBPRGKRZSA-N 0 1 332.831 3.598 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000185782097 1028648215 /nfs/dbraw/zinc/64/82/15/1028648215.db2.gz KZYVNMLTZNIOMT-WDEREUQCSA-N 0 1 328.250 3.620 20 10 EHCDMN C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)cc1[O-] ZINC000841748660 1028767898 /nfs/dbraw/zinc/76/78/98/1028767898.db2.gz XYIMQKCANKUPCC-GFCCVEGCSA-N 0 1 344.842 3.789 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000278212214 1029676214 /nfs/dbraw/zinc/67/62/14/1029676214.db2.gz KGNQASREABHUAL-CYBMUJFWSA-N 0 1 334.397 3.708 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000278212214 1029676217 /nfs/dbraw/zinc/67/62/17/1029676217.db2.gz KGNQASREABHUAL-CYBMUJFWSA-N 0 1 334.397 3.708 20 10 EHCDMN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000721886121 1031457699 /nfs/dbraw/zinc/45/76/99/1031457699.db2.gz HHNVLMMZTQVKBL-IAQYHMDHSA-N 0 1 342.277 3.838 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000527939057 1031464889 /nfs/dbraw/zinc/46/48/89/1031464889.db2.gz MPSFATYOAWGOAD-NOZJJQNGSA-N 0 1 333.741 3.696 20 10 EHCDMN C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1cc(Br)ccc1[O-] ZINC000528003476 1031568260 /nfs/dbraw/zinc/56/82/60/1031568260.db2.gz OKSWOOAELODWPH-AOVQSLKQSA-N 0 1 328.250 3.617 20 10 EHCDMN Oc1ccc2ccccc2c1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529665829 1034390821 /nfs/dbraw/zinc/39/08/21/1034390821.db2.gz NYTADPBZBZYJKS-UHFFFAOYSA-N 0 1 331.419 3.771 20 10 EHCDMN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(I)cc1[O-] ZINC001232979135 1035637405 /nfs/dbraw/zinc/63/74/05/1035637405.db2.gz SKTGMPFCSLYLRH-WDEREUQCSA-N 0 1 345.224 3.617 20 10 EHCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(I)cc1[O-] ZINC001232979135 1035637413 /nfs/dbraw/zinc/63/74/13/1035637413.db2.gz SKTGMPFCSLYLRH-WDEREUQCSA-N 0 1 345.224 3.617 20 10 EHCDMN C[C@@H]1CCC[N@H+](Cc2ccc(I)cc2[O-])[C@H]1C ZINC001232979124 1035638718 /nfs/dbraw/zinc/63/87/18/1035638718.db2.gz SKTGMPFCSLYLRH-MNOVXSKESA-N 0 1 345.224 3.617 20 10 EHCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(I)cc2[O-])[C@H]1C ZINC001232979124 1035638723 /nfs/dbraw/zinc/63/87/23/1035638723.db2.gz SKTGMPFCSLYLRH-MNOVXSKESA-N 0 1 345.224 3.617 20 10 EHCDMN c1ccc(OCc2cccnc2)c(CNCc2ccc3c(c2)CCO3)c1 ZINC000725853733 1036128160 /nfs/dbraw/zinc/12/81/60/1036128160.db2.gz UGEIMWSENUJIPE-UHFFFAOYSA-N 0 1 346.430 3.885 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000191674722 1036406235 /nfs/dbraw/zinc/40/62/35/1036406235.db2.gz PFEVYYWKFOXQKQ-UHFFFAOYSA-N 0 1 336.794 3.623 20 10 EHCDMN CCC[N@H+](Cc1ccccc1O)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000157065610 1036460040 /nfs/dbraw/zinc/46/00/40/1036460040.db2.gz KPFAKOXFNAZPJW-UHFFFAOYSA-N 0 1 339.391 3.616 20 10 EHCDMN CCC[N@@H+](Cc1ccccc1O)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000157065610 1036460049 /nfs/dbraw/zinc/46/00/49/1036460049.db2.gz KPFAKOXFNAZPJW-UHFFFAOYSA-N 0 1 339.391 3.616 20 10 EHCDMN CC(C)C[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])N(C)C ZINC000756398419 1038517861 /nfs/dbraw/zinc/51/78/61/1038517861.db2.gz FSPXESUAYKTUNJ-TZMCWYRMSA-N 0 1 343.309 3.782 20 10 EHCDMN O=c1[nH]c2ccc(C[N@H+](Cc3ccccc3O)C3CCCC3)cc2[nH]1 ZINC000894018294 1039963438 /nfs/dbraw/zinc/96/34/38/1039963438.db2.gz ZOPOSVONKBGEOZ-UHFFFAOYSA-N 0 1 337.423 3.919 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000124587466 1041723719 /nfs/dbraw/zinc/72/37/19/1041723719.db2.gz IGXWEAHJUIQEJT-LJQANCHMSA-N 0 1 331.843 3.991 20 10 EHCDMN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756770196 1042354185 /nfs/dbraw/zinc/35/41/85/1042354185.db2.gz JTKLPWZBTZJEGZ-XHDPSFHLSA-N 0 1 344.293 3.848 20 10 EHCDMN CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C[C@@H]21 ZINC001141373106 1042741792 /nfs/dbraw/zinc/74/17/92/1042741792.db2.gz NGXVGWHBADKQRN-PHIMTYICSA-N 0 1 330.653 3.896 20 10 EHCDMN COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185097960 1126758156 /nfs/dbraw/zinc/75/81/56/1126758156.db2.gz AVRRKFFRKIKQCJ-IFXJQAMLSA-N 0 1 337.419 3.938 20 10 EHCDMN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185419232 1126889818 /nfs/dbraw/zinc/88/98/18/1126889818.db2.gz REKXFCSPVSXFCK-VLIAUNLRSA-N 0 1 337.419 3.938 20 10 EHCDMN COCC1(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000842890527 1127626417 /nfs/dbraw/zinc/62/64/17/1127626417.db2.gz GOUWRPWTVFRRAC-NSHDSACASA-N 0 1 328.250 3.622 20 10 EHCDMN CCOc1ncccc1CNCc1ccc(N2CCCCC2)cc1 ZINC000128887354 1120096321 /nfs/dbraw/zinc/09/63/21/1120096321.db2.gz IXBPWEQXPKMVNR-UHFFFAOYSA-N 0 1 325.456 3.760 20 10 EHCDMN COCc1ccccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227436005 1120882701 /nfs/dbraw/zinc/88/27/01/1120882701.db2.gz FCLLTJKWHITOSJ-UHFFFAOYSA-N 0 1 336.229 3.591 20 10 EHCDMN CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000154863505 1122956040 /nfs/dbraw/zinc/95/60/40/1122956040.db2.gz QFJYZXABWXPWIV-UHFFFAOYSA-N 0 1 340.851 3.535 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c1[O-] ZINC000180200864 1123960737 /nfs/dbraw/zinc/96/07/37/1123960737.db2.gz ZTWWWKMJZCQOFP-UHFFFAOYSA-N 0 1 345.414 3.507 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c1[O-] ZINC000180200864 1123960742 /nfs/dbraw/zinc/96/07/42/1123960742.db2.gz ZTWWWKMJZCQOFP-UHFFFAOYSA-N 0 1 345.414 3.507 20 10 EHCDMN CC1(C)CN(Cc2cc(Br)cc(F)c2O)CC(C)(C)O1 ZINC000715759258 1129159608 /nfs/dbraw/zinc/15/96/08/1129159608.db2.gz KXGAWCJZXGXVCX-UHFFFAOYSA-N 0 1 346.240 3.683 20 10 EHCDMN COc1cc(CN(C)Cc2cc(F)c(F)c(F)c2)c(O)cc1C ZINC000182660879 1125351631 /nfs/dbraw/zinc/35/16/31/1125351631.db2.gz KHGAVMWUMMOHDV-UHFFFAOYSA-N 0 1 325.330 3.759 20 10 EHCDMN CC(C)OC1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000703789749 1130388887 /nfs/dbraw/zinc/38/88/87/1130388887.db2.gz QMWKSABSWRVZCD-UHFFFAOYSA-N 0 1 342.277 3.981 20 10 EHCDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)C1=CC(=O)CS1 ZINC000732266206 1130906774 /nfs/dbraw/zinc/90/67/74/1130906774.db2.gz WFYAYFLGYXDTFC-SFHVURJKSA-N 0 1 349.415 3.849 20 10 EHCDMN COc1ccc(C2([NH2+]Cc3cc(Cl)ccc3[O-])CCOCC2)cc1 ZINC000742372562 1131716739 /nfs/dbraw/zinc/71/67/39/1131716739.db2.gz CVEWYTNMXKJCFV-UHFFFAOYSA-N 0 1 347.842 3.850 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000691440655 1132987328 /nfs/dbraw/zinc/98/73/28/1132987328.db2.gz RZYRQNBIOMQBAA-AWEZNQCLSA-N 0 1 340.261 3.736 20 10 EHCDMN CCc1nn(C)c(CC)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768257523 1133118119 /nfs/dbraw/zinc/11/81/19/1133118119.db2.gz KNHXHKCLMBUFIK-UHFFFAOYSA-N 0 1 340.515 3.776 20 10 EHCDMN COc1cc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)c(O)cc1C ZINC000768465294 1133144439 /nfs/dbraw/zinc/14/44/39/1133144439.db2.gz FRRHYRIICPYGLS-IERDGZPVSA-N 0 1 341.451 3.980 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](CCO)CCc1ccccc1 ZINC000769427829 1133283555 /nfs/dbraw/zinc/28/35/55/1133283555.db2.gz XIZAESBHSHCHHS-UHFFFAOYSA-N 0 1 340.250 3.736 20 10 EHCDMN Oc1cccc(Cl)c1CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000769486450 1133290199 /nfs/dbraw/zinc/29/01/99/1133290199.db2.gz UHRLIPHTGSVTNU-LJQANCHMSA-N 0 1 329.827 3.720 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001179898389 1133293995 /nfs/dbraw/zinc/29/39/95/1133293995.db2.gz MRRQOADREOFEIV-CQSZACIVSA-N 0 1 348.849 3.891 20 10 EHCDMN Fc1cccc([C@@H]2CCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000769506278 1133304434 /nfs/dbraw/zinc/30/44/34/1133304434.db2.gz GMCVXLBCIHYIEH-FQEVSTJZSA-N 0 1 326.415 3.609 20 10 EHCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])C12CCC2 ZINC001180133221 1133328636 /nfs/dbraw/zinc/32/86/36/1133328636.db2.gz RZZQZICNDHBHOU-GJZGRUSLSA-N 0 1 327.827 3.964 20 10 EHCDMN CN(C)c1ccc(/C=C\CN2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC001180208144 1133343253 /nfs/dbraw/zinc/34/32/53/1133343253.db2.gz GCRNRVSUQHYRMT-SREVYHEPSA-N 0 1 344.499 3.820 20 10 EHCDMN Cc1cc(CN2CCO[C@H](COC(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000769816583 1133351016 /nfs/dbraw/zinc/35/10/16/1133351016.db2.gz VDRKUUCILPHCRY-KRWDZBQOSA-N 0 1 335.488 3.624 20 10 EHCDMN C[C@@H](C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1)N(C)C ZINC001180862011 1133422216 /nfs/dbraw/zinc/42/22/16/1133422216.db2.gz IMEOYLNTXVFNJR-MOEXGYKKSA-N 0 1 337.467 3.812 20 10 EHCDMN CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC001181390888 1133487262 /nfs/dbraw/zinc/48/72/62/1133487262.db2.gz NHVIGLJFPKIFOD-INIZCTEOSA-N 0 1 342.277 3.528 20 10 EHCDMN C[N@@H+](Cc1ccsc1)Cc1cc(Br)cc(F)c1[O-] ZINC001181390917 1133487158 /nfs/dbraw/zinc/48/71/58/1133487158.db2.gz NVOGOAXLUWIOMY-UHFFFAOYSA-N 0 1 330.222 3.987 20 10 EHCDMN CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC001181390888 1133487265 /nfs/dbraw/zinc/48/72/65/1133487265.db2.gz NHVIGLJFPKIFOD-INIZCTEOSA-N 0 1 342.277 3.528 20 10 EHCDMN CCO[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000771939632 1133617569 /nfs/dbraw/zinc/61/75/69/1133617569.db2.gz SIVOWIRLVVQXMC-QGZVFWFLSA-N 0 1 347.459 3.586 20 10 EHCDMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCCC[C@H]1O ZINC001183227566 1133781169 /nfs/dbraw/zinc/78/11/69/1133781169.db2.gz TYKLJIJZDAHPSU-CHWSQXEVSA-N 0 1 348.668 3.543 20 10 EHCDMN COC(=O)[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])[C@@H]1C ZINC000787239741 1133983225 /nfs/dbraw/zinc/98/32/25/1133983225.db2.gz CBDSZXKJQUAFKT-TZMCWYRMSA-N 0 1 339.391 3.675 20 10 EHCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])[C@@H]1C ZINC000787239741 1133983229 /nfs/dbraw/zinc/98/32/29/1133983229.db2.gz CBDSZXKJQUAFKT-TZMCWYRMSA-N 0 1 339.391 3.675 20 10 EHCDMN CC[N@@H+](Cc1ccccc1C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774832621 1134039034 /nfs/dbraw/zinc/03/90/34/1134039034.db2.gz JNOZLDXHMQHEQB-UHFFFAOYSA-N 0 1 330.384 3.640 20 10 EHCDMN COc1c([O-])c(C[N@@H+](C)CCCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000774839895 1134048146 /nfs/dbraw/zinc/04/81/46/1134048146.db2.gz GDMLJTPJSCTIBO-UHFFFAOYSA-N 0 1 344.411 3.764 20 10 EHCDMN Cn1ccc2cccc(NCc3ccc(N4CCN(C)CC4)cc3)c21 ZINC000788073886 1134076881 /nfs/dbraw/zinc/07/68/81/1134076881.db2.gz GAIQXWPLPJCXIJ-UHFFFAOYSA-N 0 1 334.467 3.542 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774911152 1134118563 /nfs/dbraw/zinc/11/85/63/1134118563.db2.gz VYUHFZJALAXBIG-LRDDRELGSA-N 0 1 328.368 3.502 20 10 EHCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774911152 1134118568 /nfs/dbraw/zinc/11/85/68/1134118568.db2.gz VYUHFZJALAXBIG-LRDDRELGSA-N 0 1 328.368 3.502 20 10 EHCDMN COc1c([O-])c(C[NH2+][C@@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000775106613 1134311799 /nfs/dbraw/zinc/31/17/99/1134311799.db2.gz IRAISTLRCKJKFW-NSHDSACASA-N 0 1 342.351 3.906 20 10 EHCDMN CCc1ccc([C@H]2CN(Cc3cc(OC)c(C)cc3O)CCO2)cc1 ZINC000790462725 1134417654 /nfs/dbraw/zinc/41/76/54/1134417654.db2.gz ZFQBDMALKFZMOB-OAQYLSRUSA-N 0 1 341.451 3.845 20 10 EHCDMN Cc1cc(O)cc(C)c1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188071343 1134423001 /nfs/dbraw/zinc/42/30/01/1134423001.db2.gz QAKQBCUQCRXEPB-UHFFFAOYSA-N 0 1 347.223 3.512 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN1CCN(Cc2ccsc2)CC1 ZINC000792156427 1134659003 /nfs/dbraw/zinc/65/90/03/1134659003.db2.gz DXHCPJSEPJNJJV-UHFFFAOYSA-N 0 1 340.851 3.564 20 10 EHCDMN C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1c([O-])ccc(Cl)c1F ZINC000792156802 1134659087 /nfs/dbraw/zinc/65/90/87/1134659087.db2.gz NNHVUIBYWQUPEI-UHFFFAOYSA-N 0 1 337.778 3.588 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)c(Cl)c1 ZINC001203721209 1134699409 /nfs/dbraw/zinc/69/94/09/1134699409.db2.gz IJFVVDLZSNJCRB-UHFFFAOYSA-N 0 1 328.799 3.898 20 10 EHCDMN CC(C)c1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)n[nH]1 ZINC001191722446 1134905347 /nfs/dbraw/zinc/90/53/47/1134905347.db2.gz KENIIDDFVKJVSE-UHFFFAOYSA-N 0 1 340.349 3.780 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775488865 1134935422 /nfs/dbraw/zinc/93/54/22/1134935422.db2.gz VTOBYLHVMVLNLS-SJLPKXTDSA-N 0 1 335.831 3.829 20 10 EHCDMN CC[C@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1cc(Cl)ccc1[O-] ZINC000775489346 1134941690 /nfs/dbraw/zinc/94/16/90/1134941690.db2.gz NNOFSXAIMWWYJS-QAPCUYQASA-N 0 1 349.858 3.835 20 10 EHCDMN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000793608566 1134970571 /nfs/dbraw/zinc/97/05/71/1134970571.db2.gz HWTICBXBJWEGEV-HIFRSBDPSA-N 0 1 347.842 3.556 20 10 EHCDMN CCc1cc(C[NH2+][C@@H](CC)c2cc(Br)ccc2[O-])on1 ZINC000775510198 1134971505 /nfs/dbraw/zinc/97/15/05/1134971505.db2.gz WIWRKXFCNDCPIY-AWEZNQCLSA-N 0 1 339.233 3.946 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775512668 1134982790 /nfs/dbraw/zinc/98/27/90/1134982790.db2.gz ADZPAFALXMJURD-SJORKVTESA-N 0 1 344.842 3.892 20 10 EHCDMN CC[C@H]([NH2+]CC1(CCO)CCC1)c1cc(Br)ccc1[O-] ZINC000775521915 1134998407 /nfs/dbraw/zinc/99/84/07/1134998407.db2.gz DVAGDEZQPLONTQ-AWEZNQCLSA-N 0 1 342.277 3.748 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000775522349 1135001025 /nfs/dbraw/zinc/00/10/25/1135001025.db2.gz NFAMMOLEDMYKOS-GDBMZVCRSA-N 0 1 339.863 3.815 20 10 EHCDMN CC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775527406 1135014594 /nfs/dbraw/zinc/01/45/94/1135014594.db2.gz XILWBNRZGNPCJQ-DOTOQJQBSA-N 0 1 337.822 3.829 20 10 EHCDMN COc1ccc([C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C2CC2)cc1 ZINC001193634283 1135162237 /nfs/dbraw/zinc/16/22/37/1135162237.db2.gz UJBHWQWDOVRUQW-MRXNPFEDSA-N 0 1 347.798 3.641 20 10 EHCDMN CCCc1ccc([C@H](C)N(CC(N)=O)Cc2cccc(C)c2O)cc1 ZINC000775663142 1135435586 /nfs/dbraw/zinc/43/55/86/1135435586.db2.gz ZJEUODGTYPXPSQ-INIZCTEOSA-N 0 1 340.467 3.702 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(F)n1 ZINC000806429753 1135438787 /nfs/dbraw/zinc/43/87/87/1135438787.db2.gz XCUIGYSRWBEHCQ-UHFFFAOYSA-N 0 1 330.146 3.555 20 10 EHCDMN C[C@H]1CCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000775691873 1135531778 /nfs/dbraw/zinc/53/17/78/1135531778.db2.gz HPGRZKVITVFBCM-QMMMGPOBSA-N 0 1 349.066 3.902 20 10 EHCDMN CO[C@H]1CCC[C@@H](CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839102 1135575622 /nfs/dbraw/zinc/57/56/22/1135575622.db2.gz HWOKKNOHQLYWJD-MFKMUULPSA-N 0 1 346.254 3.911 20 10 EHCDMN O=C(CC[C@H]1CCCCO1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837564 1135580361 /nfs/dbraw/zinc/58/03/61/1135580361.db2.gz VPXRFHPGMNLHSU-GFCCVEGCSA-N 0 1 332.227 3.665 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2nccnc2c1 ZINC000807839608 1135581579 /nfs/dbraw/zinc/58/15/79/1135581579.db2.gz QAFKCZBODWLGMN-UHFFFAOYSA-N 0 1 348.189 3.572 20 10 EHCDMN O=C(COc1ccccc1F)NCc1cc(Cl)cc(Cl)c1O ZINC000807838573 1135581902 /nfs/dbraw/zinc/58/19/02/1135581902.db2.gz XSPIDMWXFUOBPU-UHFFFAOYSA-N 0 1 344.169 3.533 20 10 EHCDMN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775738889 1135597880 /nfs/dbraw/zinc/59/78/80/1135597880.db2.gz LADOQIZBLILOGS-LBPRGKRZSA-N 0 1 343.826 3.740 20 10 EHCDMN Cc1ccc([N+](=O)[O-])c(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808089053 1135616372 /nfs/dbraw/zinc/61/63/72/1135616372.db2.gz HCNZXSOISYYQTB-UHFFFAOYSA-N 0 1 328.155 3.923 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808426804 1135660406 /nfs/dbraw/zinc/66/04/06/1135660406.db2.gz RCZAMIJSBPBWBQ-OAHLLOKOSA-N 0 1 345.748 3.888 20 10 EHCDMN COC(=O)c1ccc(F)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775835280 1135794879 /nfs/dbraw/zinc/79/48/79/1135794879.db2.gz SZTCPUHYQCWBCH-CYBMUJFWSA-N 0 1 330.403 3.529 20 10 EHCDMN CC(C)OC(=O)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000809763206 1135888885 /nfs/dbraw/zinc/88/88/85/1135888885.db2.gz LRRDHHAKUJPBBL-LJQANCHMSA-N 0 1 339.435 3.794 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000809789871 1135892647 /nfs/dbraw/zinc/89/26/47/1135892647.db2.gz KWXDVDMYWWWFPZ-UHFFFAOYSA-N 0 1 335.762 3.558 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000809789871 1135892649 /nfs/dbraw/zinc/89/26/49/1135892649.db2.gz KWXDVDMYWWWFPZ-UHFFFAOYSA-N 0 1 335.762 3.558 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000809789871 1135892651 /nfs/dbraw/zinc/89/26/51/1135892651.db2.gz KWXDVDMYWWWFPZ-UHFFFAOYSA-N 0 1 335.762 3.558 20 10 EHCDMN Cc1ncc(CNCc2ccc(N(C)C)c(F)c2)n1-c1ccccc1 ZINC001199863527 1135933135 /nfs/dbraw/zinc/93/31/35/1135933135.db2.gz AJHPNZKVJQXRIJ-UHFFFAOYSA-N 0 1 338.430 3.676 20 10 EHCDMN C[C@@H](c1ccccc1F)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000107323650 1136165585 /nfs/dbraw/zinc/16/55/85/1136165585.db2.gz URBGALBFTSRZPB-INIZCTEOSA-N 0 1 328.431 3.855 20 10 EHCDMN CN(C)c1ccc(CNCc2cccc(OC3CC3)c2F)cc1F ZINC000850099003 1136210748 /nfs/dbraw/zinc/21/07/48/1136210748.db2.gz CWYCNUGBPRLWRI-UHFFFAOYSA-N 0 1 332.394 3.862 20 10 EHCDMN COc1cc(CNCc2ccn(C(C)C)n2)c(O)c(C(C)(C)C)c1 ZINC000850150641 1136214743 /nfs/dbraw/zinc/21/47/43/1136214743.db2.gz KXENFMWSLPZVID-UHFFFAOYSA-N 0 1 331.460 3.766 20 10 EHCDMN COc1cc(CN[C@H]2C[C@@H](C)n3ccnc32)c(O)c(C(C)(C)C)c1 ZINC000850315192 1136234468 /nfs/dbraw/zinc/23/44/68/1136234468.db2.gz QXLJIHZOHBGVFV-WBMJQRKESA-N 0 1 329.444 3.690 20 10 EHCDMN FC(F)(F)[C@H](CNCc1ccc2c(c1)CCO2)OC1CCCC1 ZINC000850355977 1136240094 /nfs/dbraw/zinc/24/00/94/1136240094.db2.gz PKZLFDDHGCMWEU-INIZCTEOSA-N 0 1 329.362 3.601 20 10 EHCDMN COC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000850494711 1136271027 /nfs/dbraw/zinc/27/10/27/1136271027.db2.gz WYWWHTBZFZPZOJ-AUUYWEPGSA-N 0 1 329.440 3.638 20 10 EHCDMN C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Br)ccc1[O-] ZINC000850523459 1136277380 /nfs/dbraw/zinc/27/73/80/1136277380.db2.gz AISDTJBYFFLCKA-JQWIXIFHSA-N 0 1 326.234 3.517 20 10 EHCDMN Cc1cc(Br)cc([C@H](C)N[C@@H](C)c2nccn2C)c1O ZINC000850572726 1136289862 /nfs/dbraw/zinc/28/98/62/1136289862.db2.gz OORPLGCWAIYOFD-QWRGUYRKSA-N 0 1 338.249 3.608 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000850580334 1136292462 /nfs/dbraw/zinc/29/24/62/1136292462.db2.gz KQGXEKTYOGETRZ-VXJOIVPMSA-N 0 1 345.748 3.847 20 10 EHCDMN Cc1cc(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)ccc1N1CCCCC1 ZINC000851707669 1136400489 /nfs/dbraw/zinc/40/04/89/1136400489.db2.gz IGGDWABTTLRJKT-INIZCTEOSA-N 0 1 330.472 3.813 20 10 EHCDMN Cc1cc(CN2CCC[C@@H](OCC(F)(F)F)C2)ccc1N(C)C ZINC000815050778 1136539678 /nfs/dbraw/zinc/53/96/78/1136539678.db2.gz HNSDWLQWASBCNL-OAHLLOKOSA-N 0 1 330.394 3.604 20 10 EHCDMN O=C(CCC[NH2+]Cc1cc(Cl)ccc1[O-])N1CCc2ccccc21 ZINC000111409426 1136544654 /nfs/dbraw/zinc/54/46/54/1136544654.db2.gz ZSLAFHSXHGMLCC-UHFFFAOYSA-N 0 1 344.842 3.505 20 10 EHCDMN CC[C@H](NCc1ncn(-c2ccccc2)n1)c1cccc(Cl)c1O ZINC000815657755 1136622774 /nfs/dbraw/zinc/62/27/74/1136622774.db2.gz IBVILUSAJSFUKF-INIZCTEOSA-N 0 1 342.830 3.867 20 10 EHCDMN CC[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1cccc(Cl)c1[O-] ZINC000815657755 1136622775 /nfs/dbraw/zinc/62/27/75/1136622775.db2.gz IBVILUSAJSFUKF-INIZCTEOSA-N 0 1 342.830 3.867 20 10 EHCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCO[C@H](C2CC2)C1)CCCC3 ZINC000776767433 1136656309 /nfs/dbraw/zinc/65/63/09/1136656309.db2.gz HPGZJTMWLKOMCT-IBGZPJMESA-N 0 1 327.424 3.628 20 10 EHCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCO[C@H](C2CC2)C1)CCCC3 ZINC000776767433 1136656310 /nfs/dbraw/zinc/65/63/10/1136656310.db2.gz HPGZJTMWLKOMCT-IBGZPJMESA-N 0 1 327.424 3.628 20 10 EHCDMN O=C(NC1CC1)c1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816541639 1136731695 /nfs/dbraw/zinc/73/16/95/1136731695.db2.gz QYEDCHGWGAEKCZ-UHFFFAOYSA-N 0 1 346.430 3.727 20 10 EHCDMN COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc4ccccc4c3[O-])C2)c1 ZINC000816546473 1136732321 /nfs/dbraw/zinc/73/23/21/1136732321.db2.gz LHVYLPWLZXGJCP-GOSISDBHSA-N 0 1 348.446 3.923 20 10 EHCDMN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816547499 1136732354 /nfs/dbraw/zinc/73/23/54/1136732354.db2.gz YJZXCRCAZBGXQJ-INIZCTEOSA-N 0 1 342.439 3.644 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000816624630 1136739174 /nfs/dbraw/zinc/73/91/74/1136739174.db2.gz BJWKREKYUIVZCW-UHFFFAOYSA-N 0 1 331.843 3.572 20 10 EHCDMN CN1CCN(c2ccc(CNc3cccc(-c4ncco4)c3)cc2)CC1 ZINC000817405209 1136804418 /nfs/dbraw/zinc/80/44/18/1136804418.db2.gz AZBSBQYPWQZSEI-UHFFFAOYSA-N 0 1 348.450 3.706 20 10 EHCDMN CC[C@@H](NC[C@@]1(COC)CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817974648 1136853568 /nfs/dbraw/zinc/85/35/68/1136853568.db2.gz NBSCMZSFHISVGK-GDBMZVCRSA-N 0 1 347.286 3.508 20 10 EHCDMN COc1ccc(N2CC[C@@H](CNCc3csc(C4CC4)n3)C2)cc1 ZINC000818219371 1136867291 /nfs/dbraw/zinc/86/72/91/1136867291.db2.gz CNAJAEOELCWCPO-AWEZNQCLSA-N 0 1 343.496 3.645 20 10 EHCDMN Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(O)c1 ZINC000857508608 1136878219 /nfs/dbraw/zinc/87/82/19/1136878219.db2.gz VRQNRFABVMEASL-UHFFFAOYSA-N 0 1 326.179 3.643 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000776958163 1136904911 /nfs/dbraw/zinc/90/49/11/1136904911.db2.gz AHTQRKXKTXEYBT-HNNXBMFYSA-N 0 1 325.836 3.601 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000776959474 1136905166 /nfs/dbraw/zinc/90/51/66/1136905166.db2.gz LYXNKOKORBIIKM-ZDUSSCGKSA-N 0 1 325.836 3.601 20 10 EHCDMN CC[C@@H]([NH2+]Cc1c([O-])cccc1Br)[C@H]1CCCCO1 ZINC000858185599 1136947716 /nfs/dbraw/zinc/94/77/16/1136947716.db2.gz FMLFAHYKUWOUQH-UKRRQHHQSA-N 0 1 328.250 3.592 20 10 EHCDMN CN(C)[C@H](C[NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000858087125 1136938061 /nfs/dbraw/zinc/93/80/61/1136938061.db2.gz KBOOGSQQXFYNAR-MRXNPFEDSA-N 0 1 349.272 3.547 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000858192505 1136948492 /nfs/dbraw/zinc/94/84/92/1136948492.db2.gz MONDSNKCWIWBOD-HNNXBMFYSA-N 0 1 334.213 3.637 20 10 EHCDMN CC[C@@H]([NH2+]CCN(C)CC(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000858597025 1136981540 /nfs/dbraw/zinc/98/15/40/1136981540.db2.gz UKETUEOIXJXBJO-GFCCVEGCSA-N 0 1 340.336 3.649 20 10 EHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529950 1137062547 /nfs/dbraw/zinc/06/25/47/1137062547.db2.gz LNSWPSOJPZKSDR-KRWDZBQOSA-N 0 1 339.838 3.966 20 10 EHCDMN COC(=O)c1ccc(CNCc2cc(C)n(-c3ccccc3)c2C)o1 ZINC000862527844 1137148032 /nfs/dbraw/zinc/14/80/32/1137148032.db2.gz ISQSWTPDJOCMAL-UHFFFAOYSA-N 0 1 338.407 3.764 20 10 EHCDMN Cc1cc(O)c(CN(C)Cc2ccc([S@@](C)=O)cc2)cc1Cl ZINC000824877067 1137157092 /nfs/dbraw/zinc/15/70/92/1137157092.db2.gz IVASOZFTIZGXOR-JOCHJYFZSA-N 0 1 337.872 3.723 20 10 EHCDMN Cc1cc(O)c(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1Cl ZINC000824939409 1137158546 /nfs/dbraw/zinc/15/85/46/1137158546.db2.gz UYNSAWSNSPVWJD-UHFFFAOYSA-N 0 1 347.768 3.738 20 10 EHCDMN Cc1cc(O)c(CN(C)Cc2cn(C)nc2C(F)(F)F)cc1Cl ZINC000824939409 1137158548 /nfs/dbraw/zinc/15/85/48/1137158548.db2.gz UYNSAWSNSPVWJD-UHFFFAOYSA-N 0 1 347.768 3.738 20 10 EHCDMN COc1c([O-])c(C[NH+]2CC(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000824988343 1137161481 /nfs/dbraw/zinc/16/14/81/1137161481.db2.gz KJOFIXVKLDFWSX-UHFFFAOYSA-N 0 1 348.786 3.562 20 10 EHCDMN CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825327722 1137173111 /nfs/dbraw/zinc/17/31/11/1137173111.db2.gz ZMGPANCPZGRKSR-YPENRWOSSA-N 0 1 329.893 3.523 20 10 EHCDMN CC1(c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cc2)OCCO1 ZINC000865669568 1137303351 /nfs/dbraw/zinc/30/33/51/1137303351.db2.gz HPAVJKOHCWWYTH-UHFFFAOYSA-N 0 1 333.815 3.555 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@@]2(CO)CCc3ccccc32)ccc2ccccc21 ZINC000846009442 1137325490 /nfs/dbraw/zinc/32/54/90/1137325490.db2.gz ZOQWTRKVWUSSEO-JOCHJYFZSA-N 0 1 333.431 3.512 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000846057286 1137327545 /nfs/dbraw/zinc/32/75/45/1137327545.db2.gz GJOIXTQYDCZFNT-UHFFFAOYSA-N 0 1 333.844 3.922 20 10 EHCDMN CCOC(=O)c1cc(CN[C@@H](C)c2ccc3ccccc3c2O)on1 ZINC000866516480 1137360654 /nfs/dbraw/zinc/36/06/54/1137360654.db2.gz UZNCMKJDXZGAAT-LBPRGKRZSA-N 0 1 340.379 3.561 20 10 EHCDMN C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@H](O)C(F)(F)F ZINC000121860106 1137387352 /nfs/dbraw/zinc/38/73/52/1137387352.db2.gz RCTUMABQTHHLJP-DYVFJYSZSA-N 0 1 339.357 3.879 20 10 EHCDMN CCN(CC)Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773006681 1137458299 /nfs/dbraw/zinc/45/82/99/1137458299.db2.gz DZSPBVLLXAJWQR-HNNXBMFYSA-N 0 1 343.471 3.678 20 10 EHCDMN CCOc1ccc(N2CCN([C@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171809941 1137514246 /nfs/dbraw/zinc/51/42/46/1137514246.db2.gz NOGFZRDQCQATOV-SFHVURJKSA-N 0 1 340.442 3.514 20 10 EHCDMN CCn1nc(C)c(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)c1C ZINC000872632518 1137582082 /nfs/dbraw/zinc/58/20/82/1137582082.db2.gz WKJTZEMBLRWMQQ-UHFFFAOYSA-N 0 1 345.487 3.861 20 10 EHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000872647052 1137582328 /nfs/dbraw/zinc/58/23/28/1137582328.db2.gz CICFSIJJCIAKSQ-UHFFFAOYSA-N 0 1 339.464 3.852 20 10 EHCDMN COc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1Cn1cccn1 ZINC000873126973 1137590822 /nfs/dbraw/zinc/59/08/22/1137590822.db2.gz FVEIVSIICPNHHV-VFNWGFHPSA-N 0 1 349.434 3.552 20 10 EHCDMN COc1cccc(O)c1CNCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873168411 1137592193 /nfs/dbraw/zinc/59/21/93/1137592193.db2.gz ACIOQJFTEZXNMD-UHFFFAOYSA-N 0 1 346.736 3.758 20 10 EHCDMN CN(C)c1cc(F)c(CNCc2ccc(O)c(Cl)c2)cc1F ZINC000873180154 1137592753 /nfs/dbraw/zinc/59/27/53/1137592753.db2.gz YIFUHWLPCJDWCV-UHFFFAOYSA-N 0 1 326.774 3.680 20 10 EHCDMN Cc1nc(C(C)(C)NCc2ccc(N3CCOCC3)cc2)sc1C ZINC000124748048 1137608387 /nfs/dbraw/zinc/60/83/87/1137608387.db2.gz UPQYOXBAGAOSQO-UHFFFAOYSA-N 0 1 345.512 3.621 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000825843316 1137642341 /nfs/dbraw/zinc/64/23/41/1137642341.db2.gz VWHMQBMQYNZXNG-UHFFFAOYSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc(F)c1F ZINC000876531568 1137654785 /nfs/dbraw/zinc/65/47/85/1137654785.db2.gz JONONGWCGJCSNY-OAHLLOKOSA-N 0 1 349.377 3.557 20 10 EHCDMN C[C@]12CC[N@H+](Cc3ccc(Br)cc3[O-])C[C@H]1C2(F)F ZINC000825955384 1137674296 /nfs/dbraw/zinc/67/42/96/1137674296.db2.gz LZIABYWTKMWIHU-OLZOCXBDSA-N 0 1 332.188 3.632 20 10 EHCDMN C[C@]12CC[N@@H+](Cc3ccc(Br)cc3[O-])C[C@H]1C2(F)F ZINC000825955384 1137674297 /nfs/dbraw/zinc/67/42/97/1137674297.db2.gz LZIABYWTKMWIHU-OLZOCXBDSA-N 0 1 332.188 3.632 20 10 EHCDMN C[C@H](NCc1c(Cl)n(C)nc1C(F)(F)F)c1ccccc1O ZINC000877757033 1137688342 /nfs/dbraw/zinc/68/83/42/1137688342.db2.gz AUTKUSHHDMVJNW-QMMMGPOBSA-N 0 1 333.741 3.649 20 10 EHCDMN O=C1N[C@@H](c2ccc(F)c(F)c2O)Nc2c3ccccc3sc21 ZINC000877854158 1137693596 /nfs/dbraw/zinc/69/35/96/1137693596.db2.gz PTJFQSDMJYHJDG-HNNXBMFYSA-N 0 1 332.331 3.739 20 10 EHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(C(F)F)[nH]n1 ZINC000877993197 1137698910 /nfs/dbraw/zinc/69/89/10/1137698910.db2.gz ZPPJWMVAZJEIPK-UHFFFAOYSA-N 0 1 348.397 3.610 20 10 EHCDMN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109769901 1137897352 /nfs/dbraw/zinc/89/73/52/1137897352.db2.gz YGLMOJAFVKFCED-CYBMUJFWSA-N 0 1 332.831 3.813 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1ccc(Cl)cc1[O-] ZINC000886768849 1138136598 /nfs/dbraw/zinc/13/65/98/1138136598.db2.gz JTGYKWLSQDPODX-BPTYRPCHSA-N 0 1 339.863 3.669 20 10 EHCDMN C[C@@H](NCc1cccnc1OCC(F)F)c1ccc(N(C)C)cc1 ZINC000090942233 1138214307 /nfs/dbraw/zinc/21/43/07/1138214307.db2.gz PXLSFBNSRKUUDE-CYBMUJFWSA-N 0 1 335.398 3.642 20 10 EHCDMN CCN(CC)c1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000182104106 1139950234 /nfs/dbraw/zinc/95/02/34/1139950234.db2.gz ZCBZJEIBJMGYRT-GBXCKJPGSA-N 0 1 344.524 3.742 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1[O-] ZINC000185058978 1140134717 /nfs/dbraw/zinc/13/47/17/1140134717.db2.gz KJMMVEXVAJOPSB-GHMZBOCLSA-N 0 1 336.785 3.580 20 10 EHCDMN C[C@@H]([NH2+]CCc1nccs1)c1ccc(Br)cc1[O-] ZINC000185248278 1140141501 /nfs/dbraw/zinc/14/15/01/1140141501.db2.gz YIGZCNSWBUTDPC-SECBINFHSA-N 0 1 327.247 3.505 20 10 EHCDMN COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000185269807 1140142200 /nfs/dbraw/zinc/14/22/00/1140142200.db2.gz XVIHBLNFNBUMJB-GJZGRUSLSA-N 0 1 344.430 3.717 20 10 EHCDMN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186075673 1140185728 /nfs/dbraw/zinc/18/57/28/1140185728.db2.gz KXMFNNUMVTVXQP-QWRGUYRKSA-N 0 1 330.266 3.602 20 10 EHCDMN C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc2ccccc2c1[O-] ZINC000186091841 1140186386 /nfs/dbraw/zinc/18/63/86/1140186386.db2.gz YNQBPPXESYYQSF-CQSZACIVSA-N 0 1 326.440 3.502 20 10 EHCDMN COc1cc2c(cc1F)CN(Cc1cc(Cl)cc(F)c1O)CC2 ZINC000777440348 1140290856 /nfs/dbraw/zinc/29/08/56/1140290856.db2.gz KYYRRMCFHIGBOH-UHFFFAOYSA-N 0 1 339.769 3.891 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000269326631 1141094077 /nfs/dbraw/zinc/09/40/77/1141094077.db2.gz LBFBEKCZQFTEAU-LBPRGKRZSA-N 0 1 327.877 3.580 20 10 EHCDMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000271599158 1141404378 /nfs/dbraw/zinc/40/43/78/1141404378.db2.gz ZLHABCWOHBAKLH-HUUCEWRRSA-N 0 1 327.476 3.769 20 10 EHCDMN CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(Br)ccc1[O-] ZINC000020125827 212104000 /nfs/dbraw/zinc/10/40/00/212104000.db2.gz QZZHOXXFVBPTJF-CYBMUJFWSA-N 0 1 329.282 3.536 20 10 EHCDMN CCOC1(C)CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000298205385 521635565 /nfs/dbraw/zinc/63/55/65/521635565.db2.gz CWORSDAZBMJBKZ-UHFFFAOYSA-N 0 1 325.836 3.639 20 10 EHCDMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)CCC2)C(=O)[O-] ZINC000736585089 601089479 /nfs/dbraw/zinc/08/94/79/601089479.db2.gz SMIJADDYZANSTN-OAHLLOKOSA-N 0 1 339.435 3.604 20 10 EHCDMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)ccc1N(C)C ZINC000849345756 979497529 /nfs/dbraw/zinc/49/75/29/979497529.db2.gz KFBABQBKRWEQBY-ZIFCJYIRSA-N 0 1 330.472 3.526 20 10 EHCDMN COc1ccc(-n2ccc(CN[C@H](C)c3cc(F)ccc3O)n2)cc1 ZINC000185348142 1032383337 /nfs/dbraw/zinc/38/33/37/1032383337.db2.gz QYUMQXVMLXZRDA-CYBMUJFWSA-N 0 1 341.386 3.576 20 10 EHCDMN CCN(Cc1ccc(F)cn1)Cc1cc(Br)ccc1O ZINC000276218238 1020939642 /nfs/dbraw/zinc/93/96/42/1020939642.db2.gz LULIKXKKBWBYLG-UHFFFAOYSA-N 0 1 339.208 3.711 20 10 EHCDMN [O-]c1cc(F)c(F)cc1CN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001279108765 1021485990 /nfs/dbraw/zinc/48/59/90/1021485990.db2.gz WAJATRVTBGNPEZ-UHFFFAOYSA-N 0 1 336.426 3.511 20 10 EHCDMN CC[N@@H+](Cc1ccncc1)Cc1cc(Br)cc(F)c1[O-] ZINC000894759915 1022842905 /nfs/dbraw/zinc/84/29/05/1022842905.db2.gz BULMLCBNVJQPNV-UHFFFAOYSA-N 0 1 339.208 3.711 20 10 EHCDMN C[N@@H+](CC1=CCSC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000895350442 1024362135 /nfs/dbraw/zinc/36/21/35/1024362135.db2.gz MRJBHVMKFJYBSZ-UHFFFAOYSA-N 0 1 348.693 3.913 20 10 EHCDMN [NH3+][C@H]1CC[C@H](N(Cc2cccc(Cl)c2[O-])c2ccccn2)CC1 ZINC000895110354 1024472181 /nfs/dbraw/zinc/47/21/81/1024472181.db2.gz JKJBIDFSSYMXLN-SHTZXODSSA-N 0 1 331.847 3.717 20 10 EHCDMN CC1(C)CC2(CC([NH2+]Cc3ccc(Br)cc3[O-])C2)CO1 ZINC000897970744 1033245764 /nfs/dbraw/zinc/24/57/64/1033245764.db2.gz NZQIYOOVRFSYFX-UHFFFAOYSA-N 0 1 340.261 3.592 20 10 EHCDMN C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000192938705 1026647790 /nfs/dbraw/zinc/64/77/90/1026647790.db2.gz KSBKWACUPAINHK-DOTOQJQBSA-N 0 1 329.440 3.782 20 10 EHCDMN Fc1ccc2c(c1)nccc2NCc1ccc(N2CCOCC2)cc1 ZINC000301237663 1026733414 /nfs/dbraw/zinc/73/34/14/1026733414.db2.gz DWJQWMUPDOTAJC-UHFFFAOYSA-N 0 1 337.398 3.823 20 10 EHCDMN CC[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1nnc2n1CCCCC2 ZINC000273619968 1027523092 /nfs/dbraw/zinc/52/30/92/1027523092.db2.gz YSPPNABKPGGWKK-SWLSCSKDSA-N 0 1 332.423 3.651 20 10 EHCDMN CC[C@@H](N[C@H](C)c1cc(F)ccc1O)c1nnc2n1CCCCC2 ZINC000273619965 1027523740 /nfs/dbraw/zinc/52/37/40/1027523740.db2.gz YSPPNABKPGGWKK-IUODEOHRSA-N 0 1 332.423 3.651 20 10 EHCDMN CC[C@@H]([NH2+]CCC1(O)CCC1)c1cc(Br)ccc1[O-] ZINC000284521092 1029131865 /nfs/dbraw/zinc/13/18/65/1029131865.db2.gz ZBWHCNXQZOLSJH-CYBMUJFWSA-N 0 1 328.250 3.501 20 10 EHCDMN C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(Br)cc1[O-] ZINC000903282274 1031322536 /nfs/dbraw/zinc/32/25/36/1031322536.db2.gz KXAUVNQQQMPILX-UUKUIKCLSA-N 0 1 340.261 3.763 20 10 EHCDMN COCCC1CC[NH+]([C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000527935213 1031500633 /nfs/dbraw/zinc/50/06/33/1031500633.db2.gz KOKZJJRXPVMVAE-GFCCVEGCSA-N 0 1 342.277 3.964 20 10 EHCDMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)cc1)CCO2 ZINC000178377177 1031689698 /nfs/dbraw/zinc/68/96/98/1031689698.db2.gz GQHJKHOEOVKEIZ-IBGZPJMESA-N 0 1 326.440 3.765 20 10 EHCDMN CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000226648219 1033339575 /nfs/dbraw/zinc/33/95/75/1033339575.db2.gz VETYNSZKGKDSOC-LBPRGKRZSA-N 0 1 340.851 3.535 20 10 EHCDMN Cc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c(C)c1 ZINC000063824300 1033753896 /nfs/dbraw/zinc/75/38/96/1033753896.db2.gz CKIOPVTVEOBWBC-WJDWOHSUSA-N 0 1 346.521 3.599 20 10 EHCDMN CC[C@@H]([NH2+]CC1CCC(O)CC1)c1cc(Br)ccc1[O-] ZINC000227634948 1034108769 /nfs/dbraw/zinc/10/87/69/1034108769.db2.gz CYPUGWCNXMZBFT-ABIUDSBCSA-N 0 1 342.277 3.747 20 10 EHCDMN C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccccc1O ZINC000109773320 1036971944 /nfs/dbraw/zinc/97/19/44/1036971944.db2.gz CTNDTEWXHPNEEM-LLVKDONJSA-N 0 1 336.794 3.644 20 10 EHCDMN CC[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Br)ccc1[O-] ZINC000761498134 1037065904 /nfs/dbraw/zinc/06/59/04/1037065904.db2.gz GPMXFECNMGJUPT-JSGCOSHPSA-N 0 1 340.217 3.522 20 10 EHCDMN Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCOCC12CCC2 ZINC000183084665 1038667483 /nfs/dbraw/zinc/66/74/83/1038667483.db2.gz AHWMUTHGHVHJAV-UHFFFAOYSA-N 0 1 339.435 3.726 20 10 EHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCOCC12CCC2 ZINC000183084665 1038667489 /nfs/dbraw/zinc/66/74/89/1038667489.db2.gz AHWMUTHGHVHJAV-UHFFFAOYSA-N 0 1 339.435 3.726 20 10 EHCDMN COc1ccc(O)c([C@@H](C)N[C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363855187 1038696014 /nfs/dbraw/zinc/69/60/14/1038696014.db2.gz MRBITSZVBZYMJU-VLIAUNLRSA-N 0 1 337.423 3.575 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000124603759 1041722873 /nfs/dbraw/zinc/72/28/73/1041722873.db2.gz SATPJENGGQWLSG-IBGZPJMESA-N 0 1 331.843 3.991 20 10 EHCDMN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000184948503 1126721965 /nfs/dbraw/zinc/72/19/65/1126721965.db2.gz ZGONKCRVYPZNGJ-XOBRGWDASA-N 0 1 337.419 3.938 20 10 EHCDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1cccc(Cl)c1 ZINC000764980077 1127562030 /nfs/dbraw/zinc/56/20/30/1127562030.db2.gz PHMVMOUMRHGIKA-MRXNPFEDSA-N 0 1 326.223 3.696 20 10 EHCDMN C[C@H](c1ccsc1)N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000765720270 1127738221 /nfs/dbraw/zinc/73/82/21/1127738221.db2.gz RCJRZGCDJQWUAZ-MRXNPFEDSA-N 0 1 329.513 3.693 20 10 EHCDMN COC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(F)c(F)c1 ZINC000186225757 1128349727 /nfs/dbraw/zinc/34/97/27/1128349727.db2.gz YCYQLYZTDWJRLX-DIFFPNOSSA-N 0 1 337.366 3.717 20 10 EHCDMN CC[C@H]1CCCCN1C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074166 1122470494 /nfs/dbraw/zinc/47/04/94/1122470494.db2.gz RREDEMIRFSXMKL-SFHVURJKSA-N 0 1 343.515 3.508 20 10 EHCDMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917073993 1122470642 /nfs/dbraw/zinc/47/06/42/1122470642.db2.gz LSNAXGBXEKOLBV-IAGOWNOFSA-N 0 1 343.515 3.507 20 10 EHCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C12CCC2 ZINC000763452832 1123571238 /nfs/dbraw/zinc/57/12/38/1123571238.db2.gz NAIFQLXSFWBCDW-IRXDYDNUSA-N 0 1 335.419 3.513 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179950916 1123905751 /nfs/dbraw/zinc/90/57/51/1123905751.db2.gz ZNMDENQMEWBZSL-JTQLQIEISA-N 0 1 338.167 3.929 20 10 EHCDMN CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715796068 1129488908 /nfs/dbraw/zinc/48/89/08/1129488908.db2.gz NYVFHKHROLGRRX-CYBMUJFWSA-N 0 1 346.240 3.683 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922586631 1129584542 /nfs/dbraw/zinc/58/45/42/1129584542.db2.gz PDNVUHVGURCLGB-INIZCTEOSA-N 0 1 333.229 3.791 20 10 EHCDMN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3c([O-])cc(C)cc3Cl)C2)n1 ZINC000922869097 1129694921 /nfs/dbraw/zinc/69/49/21/1129694921.db2.gz NWSAPILJYNBAHY-NWDGAFQWSA-N 0 1 335.835 3.725 20 10 EHCDMN Cc1ccc2nc([C@H]3CCCN(C(=O)C4=CC(=O)CS4)C3)[nH]c2c1 ZINC000732281662 1130908783 /nfs/dbraw/zinc/90/87/83/1130908783.db2.gz WMXRBTBNOUYCGZ-LBPRGKRZSA-N 0 1 341.436 3.658 20 10 EHCDMN O=C(c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1)N1CCCC1 ZINC000733322980 1131024578 /nfs/dbraw/zinc/02/45/78/1131024578.db2.gz ZGLYKJSVNYDDBX-UHFFFAOYSA-N 0 1 344.842 3.571 20 10 EHCDMN O=C(C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([O-])c(O)c1 ZINC001172540567 1131781502 /nfs/dbraw/zinc/78/15/02/1131781502.db2.gz ORYJJNDLKPDOJM-WBVHZDCISA-N 0 1 325.408 3.597 20 10 EHCDMN CCC[C@H]1CC(=O)N(CN(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000743350695 1131907935 /nfs/dbraw/zinc/90/79/35/1131907935.db2.gz LRYNFPYNZXRGLO-SFHVURJKSA-N 0 1 331.504 3.569 20 10 EHCDMN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000766693054 1132752764 /nfs/dbraw/zinc/75/27/64/1132752764.db2.gz RVMVIWHGLVNWLK-GOSISDBHSA-N 0 1 334.423 3.625 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000767728648 1133044943 /nfs/dbraw/zinc/04/49/43/1133044943.db2.gz QOLNUFZRZQYGSH-OAHLLOKOSA-N 0 1 348.240 3.507 20 10 EHCDMN CC(C)N(Cc1cn2cccc(F)c2n1)Cc1ccc(N(C)C)cc1 ZINC000768351180 1133128819 /nfs/dbraw/zinc/12/88/19/1133128819.db2.gz IBYNHXMCDGAMGD-UHFFFAOYSA-N 0 1 340.446 3.950 20 10 EHCDMN CN(C)c1ccc(CN2CCC(Oc3ccccc3)CC2)cc1F ZINC000768528084 1133150527 /nfs/dbraw/zinc/15/05/27/1133150527.db2.gz IXQBJNVTEUYWRC-UHFFFAOYSA-N 0 1 328.431 3.935 20 10 EHCDMN CCOc1ccc(CN(Cc2ccco2)C[C@H]2CCCO2)c(O)c1 ZINC000769048560 1133218260 /nfs/dbraw/zinc/21/82/60/1133218260.db2.gz UWVMSROVNNCGBU-GOSISDBHSA-N 0 1 331.412 3.565 20 10 EHCDMN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1c1ccccc1 ZINC000769540412 1133300868 /nfs/dbraw/zinc/30/08/68/1133300868.db2.gz OZUWEGKMVLNBIR-HRAATJIYSA-N 0 1 340.442 3.855 20 10 EHCDMN O=C(C=C1CCCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771057389 1133503906 /nfs/dbraw/zinc/50/39/06/1133503906.db2.gz ISVQBXBONKCJIQ-KRWDZBQOSA-N 0 1 348.874 3.627 20 10 EHCDMN O=C(C=C1CCCC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000771057389 1133503911 /nfs/dbraw/zinc/50/39/11/1133503911.db2.gz ISVQBXBONKCJIQ-KRWDZBQOSA-N 0 1 348.874 3.627 20 10 EHCDMN O=C(C=C1CCCC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000771057389 1133503914 /nfs/dbraw/zinc/50/39/14/1133503914.db2.gz ISVQBXBONKCJIQ-KRWDZBQOSA-N 0 1 348.874 3.627 20 10 EHCDMN Oc1c(Cl)cccc1CN1CC(OCCCOc2ccccc2)C1 ZINC001182217033 1133597378 /nfs/dbraw/zinc/59/73/78/1133597378.db2.gz YPSRTYBWZMWRFT-UHFFFAOYSA-N 0 1 347.842 3.716 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)cc1Cl ZINC001182616403 1133711525 /nfs/dbraw/zinc/71/15/25/1133711525.db2.gz OMJKTXVYGQLKGN-OAHLLOKOSA-N 0 1 327.852 3.810 20 10 EHCDMN Cc1cc(NC(=O)c2c(F)ccc(O)c2O)cc(C(F)(F)F)c1 ZINC001183944081 1133875098 /nfs/dbraw/zinc/87/50/98/1133875098.db2.gz QIVYFNWDVBSZDZ-UHFFFAOYSA-N 0 1 329.249 3.816 20 10 EHCDMN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774833245 1134041397 /nfs/dbraw/zinc/04/13/97/1134041397.db2.gz MZBHWXODLSOAMM-UHFFFAOYSA-N 0 1 330.384 3.640 20 10 EHCDMN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1c(F)ccc(O)c1O 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CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775496275 1134950490 /nfs/dbraw/zinc/95/04/90/1134950490.db2.gz FMEYYAGFQIBJRL-DYVFJYSZSA-N 0 1 346.858 3.791 20 10 EHCDMN CC[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775496746 1134956309 /nfs/dbraw/zinc/95/63/09/1134956309.db2.gz KJLYOWFBGQJYPX-AWEZNQCLSA-N 0 1 333.819 3.510 20 10 EHCDMN CC[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cc(Cl)ccc1[O-] ZINC000775513376 1134978266 /nfs/dbraw/zinc/97/82/66/1134978266.db2.gz YRWCWXXZTMKEDP-GOEBONIOSA-N 0 1 328.909 3.524 20 10 EHCDMN CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775523839 1135004654 /nfs/dbraw/zinc/00/46/54/1135004654.db2.gz OBPNVBUXPICFHM-HHXXYDBFSA-N 0 1 349.858 3.571 20 10 EHCDMN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])[C@]12CCCO2 ZINC000775555348 1135068872 /nfs/dbraw/zinc/06/88/72/1135068872.db2.gz KVKBXUMKGOCIIG-DZJNRPSUSA-N 0 1 339.863 3.813 20 10 EHCDMN CN(Cc1cccc2cccnc21)C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193604603 1135165655 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EHCDMN CCOc1ncccc1CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850026045 1136200174 /nfs/dbraw/zinc/20/01/74/1136200174.db2.gz ODLUZWIKVBFDIM-UHFFFAOYSA-N 0 1 344.455 3.782 20 10 EHCDMN CC[C@@H]([NH2+]CC[C@@H](COC)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000850486402 1136268475 /nfs/dbraw/zinc/26/84/75/1136268475.db2.gz SYCNCGWBZLAPHN-GXTWGEPZSA-N 0 1 335.366 3.503 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850492316 1136270925 /nfs/dbraw/zinc/27/09/25/1136270925.db2.gz DCWBODOLGBEHLQ-DGCLKSJQSA-N 0 1 341.293 3.678 20 10 EHCDMN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000850541388 1136282023 /nfs/dbraw/zinc/28/20/23/1136282023.db2.gz VYKDNFDNPGWKTR-JDFRZJQESA-N 0 1 333.863 3.841 20 10 EHCDMN C[C@H](C(=O)Nc1cc(Cl)ccc1F)N(C)Cc1ccccc1O ZINC000109771447 1136339852 /nfs/dbraw/zinc/33/98/52/1136339852.db2.gz OFIGWGCGMSDTPQ-LLVKDONJSA-N 0 1 336.794 3.644 20 10 EHCDMN Oc1ccccc1C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCCO1 ZINC000111232900 1136524504 /nfs/dbraw/zinc/52/45/04/1136524504.db2.gz BJAVXSLBHWCVCQ-LJQANCHMSA-N 0 1 339.435 3.508 20 10 EHCDMN Cc1cc(CN(C)Cc2cnn(-c3ccccc3)c2)ccc1N(C)C ZINC000815011116 1136536709 /nfs/dbraw/zinc/53/67/09/1136536709.db2.gz ALFQPOINQVTPDY-UHFFFAOYSA-N 0 1 334.467 3.879 20 10 EHCDMN Oc1cc2c(cc1CN1CC3(CCCC3)[C@@H]1c1ccco1)[C@H](O)CO2 ZINC000853538696 1136542037 /nfs/dbraw/zinc/54/20/37/1136542037.db2.gz JFGGTWAPCGCYHQ-APWZRJJASA-N 0 1 341.407 3.528 20 10 EHCDMN CC(C)(C)CC(=O)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816485777 1136723615 /nfs/dbraw/zinc/72/36/15/1136723615.db2.gz ZWEHDLZBKBJNHD-UHFFFAOYSA-N 0 1 340.467 3.626 20 10 EHCDMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816496303 1136725075 /nfs/dbraw/zinc/72/50/75/1136725075.db2.gz DRRKMUYBFWXWKE-INIZCTEOSA-N 0 1 342.439 3.644 20 10 EHCDMN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816496303 1136725078 /nfs/dbraw/zinc/72/50/78/1136725078.db2.gz DRRKMUYBFWXWKE-INIZCTEOSA-N 0 1 342.439 3.644 20 10 EHCDMN CC(C)c1noc(CCC[NH2+]Cc2ccc3ccccc3c2[O-])n1 ZINC000816546720 1136732197 /nfs/dbraw/zinc/73/21/97/1136732197.db2.gz UHACDSIONRRLPQ-UHFFFAOYSA-N 0 1 325.412 3.774 20 10 EHCDMN COc1ccc(C[NH+](C)C)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525583 1136733723 /nfs/dbraw/zinc/73/37/23/1136733723.db2.gz ZUHCDJFGYRSENO-UHFFFAOYSA-N 0 1 338.810 3.867 20 10 EHCDMN Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc3ccccc3c2[O-])c(C)o1 ZINC000816553547 1136736251 /nfs/dbraw/zinc/73/62/51/1136736251.db2.gz ZDDRQWISJPHLHO-FQEVSTJZSA-N 0 1 325.408 3.753 20 10 EHCDMN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCO1 ZINC000817585499 1136825519 /nfs/dbraw/zinc/82/55/19/1136825519.db2.gz FJKKYKNIRFMBAA-WCFLWFBJSA-N 0 1 328.250 3.763 20 10 EHCDMN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCO1 ZINC000817587558 1136826070 /nfs/dbraw/zinc/82/60/70/1136826070.db2.gz YPZXMFLVGSLQLZ-WCFLWFBJSA-N 0 1 328.250 3.763 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856807634 1136813431 /nfs/dbraw/zinc/81/34/31/1136813431.db2.gz PIQNMUXLFNZQLH-SECBINFHSA-N 0 1 339.060 3.828 20 10 EHCDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000817880746 1136843575 /nfs/dbraw/zinc/84/35/75/1136843575.db2.gz GCNRIRHJDGPMNU-RHSMWYFYSA-N 0 1 325.408 3.744 20 10 EHCDMN Cc1nc2c(s1)[C@@H](NCc1cc(F)c(N(C)C)cc1F)CCC2 ZINC000858157839 1136945245 /nfs/dbraw/zinc/94/52/45/1136945245.db2.gz RCCPLIQBDXVEPN-AWEZNQCLSA-N 0 1 337.439 3.963 20 10 EHCDMN CCn1nncc1CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000858439821 1136967686 /nfs/dbraw/zinc/96/76/86/1136967686.db2.gz IMZFYEIXKWLYLX-INIZCTEOSA-N 0 1 327.476 3.529 20 10 EHCDMN CC[C@H]([NH2+]CCN(C)CC(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000858597026 1136981750 /nfs/dbraw/zinc/98/17/50/1136981750.db2.gz UKETUEOIXJXBJO-LBPRGKRZSA-N 0 1 340.336 3.649 20 10 EHCDMN COc1ccc(CNCC(=O)Nc2ccc(C)cc2Cl)cc1C ZINC000822489554 1137059952 /nfs/dbraw/zinc/05/99/52/1137059952.db2.gz FHFULKOYCLCIRT-UHFFFAOYSA-N 0 1 332.831 3.694 20 10 EHCDMN C[C@H](C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-])NC(=O)OC(C)(C)C ZINC000862540948 1137149224 /nfs/dbraw/zinc/14/92/24/1137149224.db2.gz KTFWKEOLFKHASF-SNVBAGLBSA-N 0 1 346.830 3.530 20 10 EHCDMN COc1ccc([C@H](CO)[N@H+](C)Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000824813994 1137153584 /nfs/dbraw/zinc/15/35/84/1137153584.db2.gz KXAZLZNOIVNAHK-KRWDZBQOSA-N 0 1 335.831 3.528 20 10 EHCDMN COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000824813994 1137153586 /nfs/dbraw/zinc/15/35/86/1137153586.db2.gz KXAZLZNOIVNAHK-KRWDZBQOSA-N 0 1 335.831 3.528 20 10 EHCDMN CCC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825124965 1137166340 /nfs/dbraw/zinc/16/63/40/1137166340.db2.gz BHYTWYNVYBEAKJ-UHFFFAOYSA-N 0 1 332.831 3.992 20 10 EHCDMN CC(C)c1cc(C[NH2+]Cc2ccc(Br)cc2[O-])on1 ZINC000825265433 1137171022 /nfs/dbraw/zinc/17/10/22/1137171022.db2.gz ABJAZKHVGUHUEL-UHFFFAOYSA-N 0 1 325.206 3.556 20 10 EHCDMN CC(C)c1cc(CNCc2ccc(Br)cc2O)on1 ZINC000825265433 1137171023 /nfs/dbraw/zinc/17/10/23/1137171023.db2.gz ABJAZKHVGUHUEL-UHFFFAOYSA-N 0 1 325.206 3.556 20 10 EHCDMN COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825315922 1137172705 /nfs/dbraw/zinc/17/27/05/1137172705.db2.gz ODVOCZPFQILHIW-INIZCTEOSA-N 0 1 333.815 3.976 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1Cl ZINC000825450366 1137178156 /nfs/dbraw/zinc/17/81/56/1137178156.db2.gz DZLLCRSTISVRAJ-OPAMFIHVSA-N 0 1 337.872 3.563 20 10 EHCDMN C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1C(=O)[O-] ZINC000863740609 1137201834 /nfs/dbraw/zinc/20/18/34/1137201834.db2.gz YOHFIAGCYLKZRH-KSSFIOAISA-N 0 1 325.408 3.602 20 10 EHCDMN CC[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Br)ccc1[O-] ZINC000794834641 1137276413 /nfs/dbraw/zinc/27/64/13/1137276413.db2.gz OJEKOSXWUHNLRT-HIFRSBDPSA-N 0 1 342.277 3.747 20 10 EHCDMN CC1(c2ccc(C[NH2+]Cc3cc(Cl)ccc3[O-])cc2)OCCO1 ZINC000865670152 1137303485 /nfs/dbraw/zinc/30/34/85/1137303485.db2.gz RELWJXRBQDAGCS-UHFFFAOYSA-N 0 1 333.815 3.555 20 10 EHCDMN COc1cc(OC)c(CN[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000845955394 1137320231 /nfs/dbraw/zinc/32/02/31/1137320231.db2.gz DEVUEFMWDJAGQG-CYBMUJFWSA-N 0 1 332.419 3.760 20 10 EHCDMN C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000846205831 1137339196 /nfs/dbraw/zinc/33/91/96/1137339196.db2.gz RNBHFFIVELUXCS-QWRGUYRKSA-N 0 1 328.250 3.620 20 10 EHCDMN Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846280083 1137345158 /nfs/dbraw/zinc/34/51/58/1137345158.db2.gz JCLLRDPWBPABFZ-BEFAXECRSA-N 0 1 330.472 3.670 20 10 EHCDMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000866454114 1137356245 /nfs/dbraw/zinc/35/62/45/1137356245.db2.gz FNYAVBCPUZRRFD-CHWSQXEVSA-N 0 1 349.475 3.839 20 10 EHCDMN CC[C@@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000866614964 1137369509 /nfs/dbraw/zinc/36/95/09/1137369509.db2.gz QUJACWOEMMCFAK-ZWNOBZJWSA-N 0 1 327.350 3.946 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Br)ccc1[O-] ZINC000866631687 1137371482 /nfs/dbraw/zinc/37/14/82/1137371482.db2.gz CVFIOQAZPGGDML-GXFFZTMASA-N 0 1 336.233 3.537 20 10 EHCDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)ncn1 ZINC000773107463 1137466174 /nfs/dbraw/zinc/46/61/74/1137466174.db2.gz PGPOLRGSYASIEC-HNNXBMFYSA-N 0 1 328.435 3.765 20 10 EHCDMN C[N@@H+](Cc1ccccc1O)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171903277 1137517869 /nfs/dbraw/zinc/51/78/69/1137517869.db2.gz OHHHJUJLVXGMIE-LJQANCHMSA-N 0 1 338.451 3.519 20 10 EHCDMN Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000872133852 1137573494 /nfs/dbraw/zinc/57/34/94/1137573494.db2.gz PGRMVTMTJDRVFF-MWLCHTKSSA-N 0 1 336.233 3.665 20 10 EHCDMN CC(C)c1cc([C@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)n[nH]1 ZINC000873328257 1137597484 /nfs/dbraw/zinc/59/74/84/1137597484.db2.gz PYGIDRYHAVFQES-ZDUSSCGKSA-N 0 1 327.432 3.527 20 10 EHCDMN Cc1cc([O-])c(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1Cl ZINC000825773990 1137630368 /nfs/dbraw/zinc/63/03/68/1137630368.db2.gz SLMDIZIVHHHMSR-LJQANCHMSA-N 0 1 331.843 3.668 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)ccc(F)c1F ZINC000876804202 1137661907 /nfs/dbraw/zinc/66/19/07/1137661907.db2.gz NWXVFMWTHZFQHJ-GXTWGEPZSA-N 0 1 339.407 3.820 20 10 EHCDMN Cc1nc2ccccc2nc1CNCc1ccc2c(c1)CCCN2C ZINC000876987102 1137666928 /nfs/dbraw/zinc/66/69/28/1137666928.db2.gz RXIDYBJFSBVZRB-UHFFFAOYSA-N 0 1 332.451 3.610 20 10 EHCDMN CC(=O)Nc1cccc2c1CCCN2Cc1ccc(F)c(F)c1O ZINC000877180339 1137672419 /nfs/dbraw/zinc/67/24/19/1137672419.db2.gz LUGDQVSSPVEYKE-UHFFFAOYSA-N 0 1 332.350 3.582 20 10 EHCDMN COc1cc(Cl)cc(CN2CC[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000877673207 1137685284 /nfs/dbraw/zinc/68/52/84/1137685284.db2.gz PKXKTPVVPMJSBF-IRXDYDNUSA-N 0 1 347.842 3.752 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877819439 1137691471 /nfs/dbraw/zinc/69/14/71/1137691471.db2.gz DCODGDBGUXWYME-NSHDSACASA-N 0 1 344.160 3.852 20 10 EHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877819439 1137691470 /nfs/dbraw/zinc/69/14/70/1137691470.db2.gz DCODGDBGUXWYME-NSHDSACASA-N 0 1 344.160 3.852 20 10 EHCDMN CSc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000882917966 1137838507 /nfs/dbraw/zinc/83/85/07/1137838507.db2.gz ZEUNTIRUOGUWCI-UHFFFAOYSA-N 0 1 346.496 3.500 20 10 EHCDMN COc1ccc(CN(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000130898474 1137843373 /nfs/dbraw/zinc/84/33/73/1137843373.db2.gz HQGHVAQWDZLEQV-UHFFFAOYSA-N 0 1 325.456 3.713 20 10 EHCDMN C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(Br)cc1[O-] ZINC000120219326 1137947417 /nfs/dbraw/zinc/94/74/17/1137947417.db2.gz ATFNTYVDEJSQGQ-PWSUYJOCSA-N 0 1 328.250 3.763 20 10 EHCDMN CN(Cc1ccccc1O)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000136949419 1138044134 /nfs/dbraw/zinc/04/41/34/1138044134.db2.gz GUXUZJZVZXCQAE-UHFFFAOYSA-N 0 1 341.798 3.708 20 10 EHCDMN C[C@@H](NCc1cc(C2CC2)no1)c1cc(Br)ccc1O ZINC000886684063 1138114855 /nfs/dbraw/zinc/11/48/55/1138114855.db2.gz DHPSOUSGKIYPFW-SECBINFHSA-N 0 1 337.217 3.871 20 10 EHCDMN COCCC(C)(C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000183933683 1140067545 /nfs/dbraw/zinc/06/75/45/1140067545.db2.gz NOYYIPOEYUJUCA-LLVKDONJSA-N 0 1 330.266 3.868 20 10 EHCDMN Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185350173 1140145825 /nfs/dbraw/zinc/14/58/25/1140145825.db2.gz DISRQRGRLIXFNV-ZJUUUORDSA-N 0 1 338.249 3.608 20 10 EHCDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185350485 1140145919 /nfs/dbraw/zinc/14/59/19/1140145919.db2.gz ZIENKBTWOHFQON-JTQLQIEISA-N 0 1 336.775 3.813 20 10 EHCDMN COc1ccc(-n2ccc(CN[C@@H](C)c3cc(C)ccc3O)n2)cc1 ZINC000185347829 1140146059 /nfs/dbraw/zinc/14/60/59/1140146059.db2.gz CJUPCTWUFGXSDN-HNNXBMFYSA-N 0 1 337.423 3.746 20 10 EHCDMN Cc1ccc(O)c([C@@H](C)NCc2nccn2CCc2ccccc2)c1 ZINC000185661445 1140161401 /nfs/dbraw/zinc/16/14/01/1140161401.db2.gz KOPBBJBTWAHHQO-QGZVFWFLSA-N 0 1 335.451 3.991 20 10 EHCDMN CC(C)[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1nc(C2CC2)no1 ZINC000187783106 1140271234 /nfs/dbraw/zinc/27/12/34/1140271234.db2.gz JPQOHIDZKDHBAQ-YMTOWFKASA-N 0 1 337.370 3.979 20 10 EHCDMN CCNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187888391 1140275787 /nfs/dbraw/zinc/27/57/87/1140275787.db2.gz HRBLVFSIHDZOCD-NSHDSACASA-N 0 1 334.366 3.902 20 10 EHCDMN Cc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)oc1C(=O)[O-] ZINC000738383395 600313278 /nfs/dbraw/zinc/31/32/78/600313278.db2.gz SEMATNJRFFRBJO-UHFFFAOYSA-N 0 1 341.363 3.787 20 10 EHCDMN Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)oc1C(=O)[O-] ZINC000738383395 600313282 /nfs/dbraw/zinc/31/32/82/600313282.db2.gz SEMATNJRFFRBJO-UHFFFAOYSA-N 0 1 341.363 3.787 20 10 EHCDMN CCCC[C@H](C(=O)[O-])[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000829277554 600857130 /nfs/dbraw/zinc/85/71/30/600857130.db2.gz XGBFRMCBHDDRJL-CYBMUJFWSA-N 0 1 344.249 3.620 20 10 EHCDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1cc(Cl)cc(OC)c1O)CC1CC1 ZINC001594787632 981824037 /nfs/dbraw/zinc/82/40/37/981824037.db2.gz JNCMINGLTMTZJH-QGZVFWFLSA-N 0 1 341.835 3.520 20 10 EHCDMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001204432501 1015570050 /nfs/dbraw/zinc/57/00/50/1015570050.db2.gz TWNNAJFRJWPXPJ-CVEARBPZSA-N 0 1 330.497 3.994 20 10 EHCDMN COc1cc(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)c(O)c(C(C)(C)C)c1 ZINC001599404916 997278754 /nfs/dbraw/zinc/27/87/54/997278754.db2.gz GLAXSQORCIKJAG-GFCCVEGCSA-N 0 1 335.444 3.526 20 10 EHCDMN COc1ccc(-n2ccc(CN[C@@H](C)c3cc(F)ccc3O)n2)cc1 ZINC000185348121 1032382899 /nfs/dbraw/zinc/38/28/99/1032382899.db2.gz QYUMQXVMLXZRDA-ZDUSSCGKSA-N 0 1 341.386 3.576 20 10 EHCDMN Oc1cc2c(cc1CN1CCO[C@H](c3ccsc3)C1)CCCC2 ZINC000160396163 1018707285 /nfs/dbraw/zinc/70/72/85/1018707285.db2.gz VSRAOZJVYNLRDK-IBGZPJMESA-N 0 1 329.465 3.906 20 10 EHCDMN COC(=O)c1c(CNCc2ccc(C)s2)c2cc(F)ccc2n1C ZINC000894187208 1019095895 /nfs/dbraw/zinc/09/58/95/1019095895.db2.gz PDZZWTOHEFAPIX-UHFFFAOYSA-N 0 1 346.427 3.764 20 10 EHCDMN CO/C=C/c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001167437148 1020159119 /nfs/dbraw/zinc/15/91/19/1020159119.db2.gz NBEHCTCVGATOIG-LFIBNONCSA-N 0 1 337.467 3.668 20 10 EHCDMN CCN(CC)c1ccc(CN(C)[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000894957819 1022282707 /nfs/dbraw/zinc/28/27/07/1022282707.db2.gz BTHJEVQRUNUYJX-HXUWFJFHSA-N 0 1 349.482 3.872 20 10 EHCDMN COc1cc(C)cc(CNC(C)(C)c2nc3ccccc3n2C)c1O ZINC000894477924 1022370256 /nfs/dbraw/zinc/37/02/56/1022370256.db2.gz OZKLIZWNGHWCQU-UHFFFAOYSA-N 0 1 339.439 3.621 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403560054 1023482682 /nfs/dbraw/zinc/48/26/82/1023482682.db2.gz NFIXAMRZXHPLOA-YHWZYXNKSA-N 0 1 328.275 3.671 20 10 EHCDMN C[N@@H+](Cc1ccns1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000895450757 1024516471 /nfs/dbraw/zinc/51/64/71/1024516471.db2.gz CARYSJXEASWXKN-UHFFFAOYSA-N 0 1 347.665 3.897 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)ccc2ccccc21 ZINC000895536334 1024596147 /nfs/dbraw/zinc/59/61/47/1024596147.db2.gz KMJZNSDTONXPGO-SFHVURJKSA-N 0 1 341.451 3.611 20 10 EHCDMN CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CCC1 ZINC000277338084 1024691689 /nfs/dbraw/zinc/69/16/89/1024691689.db2.gz UVSFXTSEWNALAF-AWEZNQCLSA-N 0 1 326.440 3.502 20 10 EHCDMN COc1ccc(CN[C@H]2c3ccccc3CC[C@@H]2F)c(O)c1OC ZINC000896031336 1025086670 /nfs/dbraw/zinc/08/66/70/1025086670.db2.gz QOPKMVDPPCZFCL-RDJZCZTQSA-N 0 1 331.387 3.525 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)ccc2ccccc21 ZINC000896280112 1025314051 /nfs/dbraw/zinc/31/40/51/1025314051.db2.gz LCDOJWOMDRXMNF-DZGCQCFKSA-N 0 1 325.330 3.745 20 10 EHCDMN Cc1cc(Br)cc([C@H](C)N[C@H](C)c2ccn(C)n2)c1O ZINC000840815293 1026378588 /nfs/dbraw/zinc/37/85/88/1026378588.db2.gz DLGLVVOJQSUROM-WDEREUQCSA-N 0 1 338.249 3.608 20 10 EHCDMN CCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708075052 1026699120 /nfs/dbraw/zinc/69/91/20/1026699120.db2.gz IENMXVNLWZUVKP-LBPRGKRZSA-N 0 1 348.668 3.809 20 10 EHCDMN C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)cc1[O-] ZINC000841748667 1028770593 /nfs/dbraw/zinc/77/05/93/1028770593.db2.gz XYIMQKCANKUPCC-LBPRGKRZSA-N 0 1 344.842 3.789 20 10 EHCDMN CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CCOCC1 ZINC000708217201 1028970676 /nfs/dbraw/zinc/97/06/76/1028970676.db2.gz YPTAUISNQUKFGE-UHFFFAOYSA-N 0 1 348.668 3.809 20 10 EHCDMN CCOc1cccc(CN(C)Cc2ccc(Br)o2)c1O ZINC000130686766 1030832970 /nfs/dbraw/zinc/83/29/70/1030832970.db2.gz JAQQTZKOASKJIG-UHFFFAOYSA-N 0 1 340.217 3.778 20 10 EHCDMN CC(C)c1ncc2c(n1)CCN(Cc1cc(Cl)c(F)cc1O)C2 ZINC000527619744 1031043060 /nfs/dbraw/zinc/04/30/60/1031043060.db2.gz UKYVFKGENVHXCZ-UHFFFAOYSA-N 0 1 335.810 3.656 20 10 EHCDMN C[C@]1([NH2+]Cc2ccc(Br)cc2[O-])CCOc2ccccc21 ZINC000897386214 1031629871 /nfs/dbraw/zinc/62/98/71/1031629871.db2.gz SSTQABSUQOPRTA-KRWDZBQOSA-N 0 1 348.240 3.942 20 10 EHCDMN CC[N@H+](CCc1ccccn1)Cc1cc(Br)ccc1[O-] ZINC000174426767 1033925462 /nfs/dbraw/zinc/92/54/62/1033925462.db2.gz YJWFXWZANNEUMH-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN CC[N@@H+](CCc1ccccn1)Cc1cc(Br)ccc1[O-] ZINC000174426767 1033925476 /nfs/dbraw/zinc/92/54/76/1033925476.db2.gz YJWFXWZANNEUMH-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C12CCC2 ZINC000761202521 1034411155 /nfs/dbraw/zinc/41/11/55/1034411155.db2.gz FQWUMLSICLHVJB-HZPDHXFCSA-N 0 1 339.863 3.834 20 10 EHCDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C12CCC2 ZINC000761202521 1034411166 /nfs/dbraw/zinc/41/11/66/1034411166.db2.gz FQWUMLSICLHVJB-HZPDHXFCSA-N 0 1 339.863 3.834 20 10 EHCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccc2c(c1)CCO2 ZINC000897419633 1036376970 /nfs/dbraw/zinc/37/69/70/1036376970.db2.gz PTUCJNKBRWFVAW-LLVKDONJSA-N 0 1 348.240 3.940 20 10 EHCDMN C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000122308675 1037065784 /nfs/dbraw/zinc/06/57/84/1037065784.db2.gz QWCQPIBGHXCKPN-OAHLLOKOSA-N 0 1 346.421 3.994 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1[O-] ZINC000760865963 1037537669 /nfs/dbraw/zinc/53/76/69/1037537669.db2.gz DZPJUTADKJGEHX-UHFFFAOYSA-N 0 1 346.858 3.946 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1[O-] ZINC000760865963 1037537681 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Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000850558678 1136285075 /nfs/dbraw/zinc/28/50/75/1136285075.db2.gz STBYXGMKXZSMBX-CHWSQXEVSA-N 0 1 338.879 3.652 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(Br)cc1[O-] ZINC000850572006 1136288785 /nfs/dbraw/zinc/28/87/85/1136288785.db2.gz XTSKVEXLLVJBMS-QWRGUYRKSA-N 0 1 328.250 3.620 20 10 EHCDMN CC(C)(C)c1nc(CN(Cc2ccco2)Cc2ccccc2O)n[nH]1 ZINC000814627252 1136482071 /nfs/dbraw/zinc/48/20/71/1136482071.db2.gz FVVLAKHXGUJIMS-UHFFFAOYSA-N 0 1 340.427 3.603 20 10 EHCDMN CN(C)c1ccc(CN[C@@H]2CCc3ccccc3-n3ccnc32)cc1 ZINC000853093853 1136508704 /nfs/dbraw/zinc/50/87/04/1136508704.db2.gz LQAHNZCUUYZGFX-LJQANCHMSA-N 0 1 332.451 3.715 20 10 EHCDMN COc1ccc(O)c([C@@H](C)N[C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853240116 1136520782 /nfs/dbraw/zinc/52/07/82/1136520782.db2.gz GGWJCQSCQCGJED-KDOFPFPSSA-N 0 1 349.434 3.925 20 10 EHCDMN CCN(C(=O)CN(C)Cc1ccccc1O)[C@@H](C)c1ccc(F)cc1 ZINC000111235810 1136524550 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CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816499194 1136727612 /nfs/dbraw/zinc/72/76/12/1136727612.db2.gz IQKRAZVMOZKOME-MRXNPFEDSA-N 0 1 340.467 3.674 20 10 EHCDMN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816509598 1136728976 /nfs/dbraw/zinc/72/89/76/1136728976.db2.gz WHJCEVPNKUYMNY-JTQLQIEISA-N 0 1 346.830 3.530 20 10 EHCDMN [O-]c1c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)ccc2ccccc12 ZINC000816516298 1136730031 /nfs/dbraw/zinc/73/00/31/1136730031.db2.gz ARVOHPFQEFUXTL-KRWDZBQOSA-N 0 1 339.357 3.681 20 10 EHCDMN CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816541778 1136731921 /nfs/dbraw/zinc/73/19/21/1136731921.db2.gz UMGJWSMPRUBOBD-UHFFFAOYSA-N 0 1 348.446 3.684 20 10 EHCDMN Cn1cc([C@@H]2CSCCN2Cc2ccc3ccccc3c2O)cn1 ZINC000816591278 1136735031 /nfs/dbraw/zinc/73/50/31/1136735031.db2.gz ZJJYKGQWCWYMLN-SFHVURJKSA-N 0 1 339.464 3.569 20 10 EHCDMN O=C1OCCN1c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816566700 1136738136 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[O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013540 1136931024 /nfs/dbraw/zinc/93/10/24/1136931024.db2.gz FFQHJUZTMQOVTC-QGZVFWFLSA-N 0 1 344.842 3.971 20 10 EHCDMN Cc1cnc([C@H](C)C[NH2+]Cc2c([O-])cccc2Br)s1 ZINC000858157235 1136944832 /nfs/dbraw/zinc/94/48/32/1136944832.db2.gz WEOMAEOREHIHNN-SECBINFHSA-N 0 1 341.274 3.813 20 10 EHCDMN CC[C@H](C)c1nc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)n[nH]1 ZINC000858160266 1136945357 /nfs/dbraw/zinc/94/53/57/1136945357.db2.gz GKGJAXHYLLRHHU-QWRGUYRKSA-N 0 1 337.418 3.513 20 10 EHCDMN C[C@@]1(CC[NH2+]Cc2c([O-])cccc2Br)C[C@]1(F)Cl ZINC000858184147 1136947260 /nfs/dbraw/zinc/94/72/60/1136947260.db2.gz IKVULKFZYXUBBN-CHWSQXEVSA-N 0 1 336.632 3.949 20 10 EHCDMN CC(C)[C@@H](O)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858193167 1136948847 /nfs/dbraw/zinc/94/88/47/1136948847.db2.gz VOSCOKUWDNJMHH-WOJBJXKFSA-N 0 1 348.437 3.879 20 10 EHCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(C)C)cc1O ZINC000819761405 1136961469 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Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000828014210 1137132898 /nfs/dbraw/zinc/13/28/98/1137132898.db2.gz XDFSBMJSUHLALV-UHFFFAOYSA-N 0 1 335.451 3.863 20 10 EHCDMN COc1ccc([C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C2CC2)cn1 ZINC000862549507 1137149739 /nfs/dbraw/zinc/14/97/39/1137149739.db2.gz DTJVESIEDFGXEF-GOSISDBHSA-N 0 1 332.831 3.999 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000825357670 1137174757 /nfs/dbraw/zinc/17/47/57/1137174757.db2.gz JIPFKWHALOXARQ-DOMZBBRYSA-N 0 1 342.277 3.576 20 10 EHCDMN COCCOc1cc(C)ccc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825364827 1137174969 /nfs/dbraw/zinc/17/49/69/1137174969.db2.gz CAODCWDBJZBENF-UHFFFAOYSA-N 0 1 349.858 3.977 20 10 EHCDMN Cc1cnc([C@@H](C)C[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000825509421 1137180322 /nfs/dbraw/zinc/18/03/22/1137180322.db2.gz KKVCBCBKEXXWRZ-VIFPVBQESA-N 0 1 341.274 3.813 20 10 EHCDMN CCN(CC)c1ccc(CNC(=O)[C@H](N)c2cccc(Cl)c2)cc1 ZINC000844173104 1137201316 /nfs/dbraw/zinc/20/13/16/1137201316.db2.gz ORGLWSVYXHNGFN-GOSISDBHSA-N 0 1 345.874 3.502 20 10 EHCDMN CCc1cc(CN2CCCc3cc(O)c(O)cc3C2)cc(CC)c1O ZINC001144151574 1137245465 /nfs/dbraw/zinc/24/54/65/1137245465.db2.gz YNVHZCANHOPJHW-UHFFFAOYSA-N 0 1 341.451 3.877 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000794824182 1137267435 /nfs/dbraw/zinc/26/74/35/1137267435.db2.gz IMDSNTMFOPJGCS-BXUZGUMPSA-N 0 1 342.867 4.000 20 10 EHCDMN COc1cc(OC)c(CNCc2ccc3c(c2)CCCN3C)cc1F ZINC000845928950 1137321275 /nfs/dbraw/zinc/32/12/75/1137321275.db2.gz QNYKPDAMJHRKBT-UHFFFAOYSA-N 0 1 344.430 3.515 20 10 EHCDMN C[C@]1(CC[NH2+]Cc2cc(Br)ccc2[O-])C[C@]1(F)Cl ZINC000846035886 1137328283 /nfs/dbraw/zinc/32/82/83/1137328283.db2.gz LMHZPVQYPGYZSH-QWHCGFSZSA-N 0 1 336.632 3.949 20 10 EHCDMN CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000846055840 1137331110 /nfs/dbraw/zinc/33/11/10/1137331110.db2.gz QAPXYOXEGJUADL-WCQYABFASA-N 0 1 347.789 3.502 20 10 EHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C)[C@@H](C(C)C)C1 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EHCDMN Cc1ccc(CN[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c(O)c1 ZINC000877148565 1137671682 /nfs/dbraw/zinc/67/16/82/1137671682.db2.gz NZEOCCBIHMXNOI-QGZVFWFLSA-N 0 1 338.411 3.633 20 10 EHCDMN COc1cc(NCc2ccc(F)c(F)c2O)c(OC)c(C)c1OC ZINC000877493172 1137678437 /nfs/dbraw/zinc/67/84/37/1137678437.db2.gz IACXUTNAWBGIFC-UHFFFAOYSA-N 0 1 339.338 3.617 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000826139651 1137763691 /nfs/dbraw/zinc/76/36/91/1137763691.db2.gz JMHMRPMZVCZFBM-KRWDZBQOSA-N 0 1 333.815 3.503 20 10 EHCDMN CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000886789347 1138140820 /nfs/dbraw/zinc/14/08/20/1138140820.db2.gz SMZXVMMCYKNAFX-UHOFOFEASA-N 0 1 327.852 3.528 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000826535271 1138212115 /nfs/dbraw/zinc/21/21/15/1138212115.db2.gz VFPUSUPHXKEKCB-CVEARBPZSA-N 0 1 340.261 3.592 20 10 EHCDMN Cc1c(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cnn1C ZINC000090887964 1138213865 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ZINC000113327670 1130333184 /nfs/dbraw/zinc/33/31/84/1130333184.db2.gz VYMKCUUYMRIBQG-ZDUSSCGKSA-N 0 1 334.822 3.801 20 10 EHCDMN COc1cccc2c1OCC[C@@H]2NCc1ccc(N(C)C)c(F)c1 ZINC000733332158 1131026877 /nfs/dbraw/zinc/02/68/77/1131026877.db2.gz POPMYDDVUZZIIZ-INIZCTEOSA-N 0 1 330.403 3.514 20 10 EHCDMN COC[C@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000739920179 1131517120 /nfs/dbraw/zinc/51/71/20/1131517120.db2.gz KDYKMUOPWVTFLP-SFHVURJKSA-N 0 1 340.467 3.554 20 10 EHCDMN CCC[N@@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740858959 1131549202 /nfs/dbraw/zinc/54/92/02/1131549202.db2.gz MSPAYDAZIQZBCS-MISYRCLQSA-N 0 1 329.484 3.906 20 10 EHCDMN CCC[N@@H+](Cc1c(O)ccc2ccncc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740859873 1131549443 /nfs/dbraw/zinc/54/94/43/1131549443.db2.gz UZJSPKXRVSLIAR-CWFSZBLJSA-N 0 1 340.467 3.966 20 10 EHCDMN CCC[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740859873 1131549445 /nfs/dbraw/zinc/54/94/45/1131549445.db2.gz UZJSPKXRVSLIAR-CWFSZBLJSA-N 0 1 340.467 3.966 20 10 EHCDMN CCC[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740859873 1131549451 /nfs/dbraw/zinc/54/94/51/1131549451.db2.gz UZJSPKXRVSLIAR-CWFSZBLJSA-N 0 1 340.467 3.966 20 10 EHCDMN CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001173655125 1132123677 /nfs/dbraw/zinc/12/36/77/1132123677.db2.gz XGAFLOVAUKMBKH-KSSFIOAISA-N 0 1 327.424 3.757 20 10 EHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)C2CC2)C1 ZINC000766854023 1132872947 /nfs/dbraw/zinc/87/29/47/1132872947.db2.gz KEHYIUTWDNQVNQ-HNNXBMFYSA-N 0 1 340.467 3.750 20 10 EHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)C2CC2)C1 ZINC000766854023 1132872956 /nfs/dbraw/zinc/87/29/56/1132872956.db2.gz KEHYIUTWDNQVNQ-HNNXBMFYSA-N 0 1 340.467 3.750 20 10 EHCDMN CCOc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000768102108 1133094756 /nfs/dbraw/zinc/09/47/56/1133094756.db2.gz OCWXDOPCRDSKRK-CYBMUJFWSA-N 0 1 342.395 3.779 20 10 EHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000768160468 1133103747 /nfs/dbraw/zinc/10/37/47/1133103747.db2.gz OIPMRULBYHZBRD-UHFFFAOYSA-N 0 1 336.775 3.594 20 10 EHCDMN COc1ccc([C@H]2CCC[N@H+]2Cc2c(O)cccc2OC)cc1OC ZINC000768231182 1133115042 /nfs/dbraw/zinc/11/50/42/1133115042.db2.gz VMFVXEYSFGSOKH-MRXNPFEDSA-N 0 1 343.423 3.755 20 10 EHCDMN CCC[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915723 1133202478 /nfs/dbraw/zinc/20/24/78/1133202478.db2.gz MKQXZHRRLQGLLX-CZUORRHYSA-N 0 1 338.879 3.562 20 10 EHCDMN CC[N@@H+](Cc1ccoc1)Cc1cc(Br)cc(F)c1[O-] ZINC001179869269 1133296924 /nfs/dbraw/zinc/29/69/24/1133296924.db2.gz QJBMKMLMMBNBOF-UHFFFAOYSA-N 0 1 328.181 3.909 20 10 EHCDMN COc1ccccc1C[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC001180497825 1133385873 /nfs/dbraw/zinc/38/58/73/1133385873.db2.gz VFQHLILMYOEDFT-UHFFFAOYSA-N 0 1 336.229 3.795 20 10 EHCDMN COc1ccccc1C[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC001180497825 1133385879 /nfs/dbraw/zinc/38/58/79/1133385879.db2.gz VFQHLILMYOEDFT-UHFFFAOYSA-N 0 1 336.229 3.795 20 10 EHCDMN CCOc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000770332700 1133406206 /nfs/dbraw/zinc/40/62/06/1133406206.db2.gz QZJGVBVCHSAECG-HNNXBMFYSA-N 0 1 349.471 3.735 20 10 EHCDMN O=C(Nc1ccc2c(Cl)cccc2n1)c1c(F)ccc(O)c1O ZINC001183415374 1133803980 /nfs/dbraw/zinc/80/39/80/1133803980.db2.gz KITJOFMGZIBMDI-UHFFFAOYSA-N 0 1 332.718 3.691 20 10 EHCDMN O=C(Nc1ccc2nc(C3CC3)oc2c1)c1c(F)ccc(O)c1O ZINC000789993119 1134356346 /nfs/dbraw/zinc/35/63/46/1134356346.db2.gz REEASBPJFPWGMG-UHFFFAOYSA-N 0 1 328.299 3.508 20 10 EHCDMN Cc1ccccc1-n1nccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000792941434 1134821585 /nfs/dbraw/zinc/82/15/85/1134821585.db2.gz VOIZKIMQJCADDF-UHFFFAOYSA-N 0 1 338.430 3.676 20 10 EHCDMN CCCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC)cc1 ZINC001191252843 1134824902 /nfs/dbraw/zinc/82/49/02/1134824902.db2.gz GKTQSLWQPUVSAC-UHFFFAOYSA-N 0 1 335.425 3.544 20 10 EHCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000793338919 1134907584 /nfs/dbraw/zinc/90/75/84/1134907584.db2.gz HPPBNIPFPSQFDM-MRXNPFEDSA-N 0 1 342.277 3.854 20 10 EHCDMN CC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775512940 1134982744 /nfs/dbraw/zinc/98/27/44/1134982744.db2.gz TXSZNTRUJOAAHY-INIZCTEOSA-N 0 1 338.879 3.877 20 10 EHCDMN CC[C@H]([NH2+]Cc1ccc(F)cn1)c1cc(Br)ccc1[O-] ZINC000775513745 1134983974 /nfs/dbraw/zinc/98/39/74/1134983974.db2.gz LRUOCPJZHHTWHD-AWEZNQCLSA-N 0 1 339.208 3.930 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000775522350 1135001409 /nfs/dbraw/zinc/00/14/09/1135001409.db2.gz NFAMMOLEDMYKOS-GOEBONIOSA-N 0 1 339.863 3.815 20 10 EHCDMN Cc1cc(Cl)ncc1S(=O)(=O)Nc1ccc(O)c2ccccc12 ZINC001192356071 1135004375 /nfs/dbraw/zinc/00/43/75/1135004375.db2.gz OAPJQMQESJVQQW-UHFFFAOYSA-N 0 1 348.811 3.703 20 10 EHCDMN CC(C)OC(=O)c1ccc(NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 ZINC001193611311 1135158715 /nfs/dbraw/zinc/15/87/15/1135158715.db2.gz CJBWZEQJLGPORM-UHFFFAOYSA-N 0 1 349.770 3.569 20 10 EHCDMN O=C(Nc1cccc2cc(O)ccc21)c1cc(O)c(O)c(Cl)c1 ZINC001193625657 1135161657 /nfs/dbraw/zinc/16/16/57/1135161657.db2.gz QQASKRNNNBSRAK-UHFFFAOYSA-N 0 1 329.739 3.862 20 10 EHCDMN CC(C)(C)CCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134820 1135237034 /nfs/dbraw/zinc/23/70/34/1135237034.db2.gz KOPGFKYAVUQGAE-UHFFFAOYSA-N 0 1 340.272 3.555 20 10 EHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])c(OC)c1 ZINC000775642815 1135382441 /nfs/dbraw/zinc/38/24/41/1135382441.db2.gz OQOKJPMKQLIFRU-UHFFFAOYSA-N 0 1 339.794 3.834 20 10 EHCDMN CCc1nc([C@H]2CCCCN2Cc2cc(Cl)cc(F)c2O)no1 ZINC000775658801 1135432041 /nfs/dbraw/zinc/43/20/41/1135432041.db2.gz CDAAJYWBCFDALA-CYBMUJFWSA-N 0 1 339.798 3.857 20 10 EHCDMN Cc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000806405770 1135441076 /nfs/dbraw/zinc/44/10/76/1135441076.db2.gz QBBCDNCXNFJQIS-UHFFFAOYSA-N 0 1 326.183 3.724 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNC(=S)NCc1ccccc1 ZINC000806599480 1135466724 /nfs/dbraw/zinc/46/67/24/1135466724.db2.gz TYOFQMYXAVOKPT-UHFFFAOYSA-N 0 1 341.263 3.863 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNC(=S)NCc1cccs1 ZINC000806597725 1135466826 /nfs/dbraw/zinc/46/68/26/1135466826.db2.gz CLFKIXCIXIXQAU-UHFFFAOYSA-N 0 1 347.292 3.925 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000775695970 1135532392 /nfs/dbraw/zinc/53/23/92/1135532392.db2.gz FQWUJRGCQRWJFP-SFHVURJKSA-N 0 1 331.843 3.918 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000775695969 1135532444 /nfs/dbraw/zinc/53/24/44/1135532444.db2.gz FQWUJRGCQRWJFP-GOSISDBHSA-N 0 1 331.843 3.918 20 10 EHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCCC1(F)F ZINC000807597297 1135557792 /nfs/dbraw/zinc/55/77/92/1135557792.db2.gz YPUHZIRESXAYIT-JTQLQIEISA-N 0 1 339.169 3.686 20 10 EHCDMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775723274 1135573363 /nfs/dbraw/zinc/57/33/63/1135573363.db2.gz DZSQFTNCSBDJQR-QGZVFWFLSA-N 0 1 330.859 3.752 20 10 EHCDMN CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775723274 1135573367 /nfs/dbraw/zinc/57/33/67/1135573367.db2.gz DZSQFTNCSBDJQR-QGZVFWFLSA-N 0 1 330.859 3.752 20 10 EHCDMN CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775723274 1135573378 /nfs/dbraw/zinc/57/33/78/1135573378.db2.gz DZSQFTNCSBDJQR-QGZVFWFLSA-N 0 1 330.859 3.752 20 10 EHCDMN C[C@H]1CC[C@@H](CCC(=O)NCc2cc(Cl)cc(Cl)c2O)O1 ZINC000807839201 1135581310 /nfs/dbraw/zinc/58/13/10/1135581310.db2.gz YWCVXXZEXMVFRD-CABZTGNLSA-N 0 1 332.227 3.663 20 10 EHCDMN Cc1csc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807838462 1135581801 /nfs/dbraw/zinc/58/18/01/1135581801.db2.gz SCMZZDWBCJKLMZ-UHFFFAOYSA-N 0 1 345.251 3.713 20 10 EHCDMN CC(C)N(Cc1cnnn1-c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000808709454 1135717354 /nfs/dbraw/zinc/71/73/54/1135717354.db2.gz BORSCGNKDLWNMK-UHFFFAOYSA-N 0 1 349.482 3.744 20 10 EHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1(SC)CC1 ZINC000809592779 1135859502 /nfs/dbraw/zinc/85/95/02/1135859502.db2.gz QCWMJVKMBKHQFY-UHFFFAOYSA-N 0 1 330.291 3.872 20 10 EHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1(SC)CC1 ZINC000809592779 1135859506 /nfs/dbraw/zinc/85/95/06/1135859506.db2.gz QCWMJVKMBKHQFY-UHFFFAOYSA-N 0 1 330.291 3.872 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000809764271 1135888928 /nfs/dbraw/zinc/88/89/28/1135888928.db2.gz VXBVZKGJLVMMET-UHFFFAOYSA-N 0 1 333.229 3.714 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215857 1135938575 /nfs/dbraw/zinc/93/85/75/1135938575.db2.gz NOBULTWMXJEYIW-IUODEOHRSA-N 0 1 328.378 3.688 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220402 1135939496 /nfs/dbraw/zinc/93/94/96/1135939496.db2.gz WUSOPQOCTWVJPU-HZMBPMFUSA-N 0 1 327.350 3.946 20 10 EHCDMN CC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236951 1135945754 /nfs/dbraw/zinc/94/57/54/1135945754.db2.gz CEVFYZVJIBUMAI-NPMABZOXSA-N 0 1 349.418 3.753 20 10 EHCDMN Cc1cnn(-c2cc[nH+]cc2NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000776253983 1136102386 /nfs/dbraw/zinc/10/23/86/1136102386.db2.gz QKFAMCWPDKZITB-UHFFFAOYSA-N 0 1 332.766 3.686 20 10 EHCDMN O=[N+]([O-])c1ccc(Cl)c(CNCc2cc(Cl)ccc2O)c1 ZINC000776248578 1136106006 /nfs/dbraw/zinc/10/60/06/1136106006.db2.gz LOEUTPIEYGTAQA-UHFFFAOYSA-N 0 1 327.167 3.897 20 10 EHCDMN O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000776248578 1136106007 /nfs/dbraw/zinc/10/60/07/1136106007.db2.gz LOEUTPIEYGTAQA-UHFFFAOYSA-N 0 1 327.167 3.897 20 10 EHCDMN COc1cc(CN[C@H](CCO)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850248430 1136226743 /nfs/dbraw/zinc/22/67/43/1136226743.db2.gz BYHGZCKZHITQFD-MRXNPFEDSA-N 0 1 333.428 3.505 20 10 EHCDMN CCn1cc(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nn1 ZINC000850366107 1136242059 /nfs/dbraw/zinc/24/20/59/1136242059.db2.gz CFJJBFZRZQXTJJ-UHFFFAOYSA-N 0 1 344.503 3.888 20 10 EHCDMN COc1ccc(-c2cc(CNCc3ccc(N(C)C)cc3)on2)cc1 ZINC000850369874 1136242934 /nfs/dbraw/zinc/24/29/34/1136242934.db2.gz XYNMLJPPPDYDNP-UHFFFAOYSA-N 0 1 337.423 3.706 20 10 EHCDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000850405927 1136251254 /nfs/dbraw/zinc/25/12/54/1136251254.db2.gz KLNFDGWUJPUAHN-QRWLVFNGSA-N 0 1 340.467 3.654 20 10 EHCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850845 1136261348 /nfs/dbraw/zinc/26/13/48/1136261348.db2.gz YNHXTMXTWDRZLO-DJJJIMSYSA-N 0 1 345.414 3.678 20 10 EHCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850845 1136261349 /nfs/dbraw/zinc/26/13/49/1136261349.db2.gz YNHXTMXTWDRZLO-DJJJIMSYSA-N 0 1 345.414 3.678 20 10 EHCDMN CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850484639 1136268134 /nfs/dbraw/zinc/26/81/34/1136268134.db2.gz NJVONWRANMNRPX-PJODQICGSA-N 0 1 347.377 3.503 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850492317 1136270922 /nfs/dbraw/zinc/27/09/22/1136270922.db2.gz DCWBODOLGBEHLQ-WCQYABFASA-N 0 1 341.293 3.678 20 10 EHCDMN C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000850495876 1136271708 /nfs/dbraw/zinc/27/17/08/1136271708.db2.gz KIMYIPGLJKPMFK-BGJPBQGDSA-N 0 1 345.386 3.507 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(Br)cc1[O-] ZINC000850534002 1136280805 /nfs/dbraw/zinc/28/08/05/1136280805.db2.gz DWWJYCRKSXSIGT-WZRBSPASSA-N 0 1 328.250 3.763 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000850570472 1136288669 /nfs/dbraw/zinc/28/86/69/1136288669.db2.gz HNGMPHPLHNRIER-MNOVXSKESA-N 0 1 328.250 3.620 20 10 EHCDMN Fc1cc(C2CC2)ccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000813781523 1136361336 /nfs/dbraw/zinc/36/13/36/1136361336.db2.gz PUHAWDGRJSKPFO-UHFFFAOYSA-N 0 1 340.442 3.830 20 10 EHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000813900147 1136374367 /nfs/dbraw/zinc/37/43/67/1136374367.db2.gz OCAVMLDWKDWXDS-UHFFFAOYSA-N 0 1 344.440 3.754 20 10 EHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000813900147 1136374371 /nfs/dbraw/zinc/37/43/71/1136374371.db2.gz OCAVMLDWKDWXDS-UHFFFAOYSA-N 0 1 344.440 3.754 20 10 EHCDMN Cc1cc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])ccc1N(C)C ZINC000851707183 1136400671 /nfs/dbraw/zinc/40/06/71/1136400671.db2.gz VKLVARUMLGDVPG-ICSRJNTNSA-N 0 1 344.499 3.916 20 10 EHCDMN CSC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000814179035 1136411769 /nfs/dbraw/zinc/41/17/69/1136411769.db2.gz NTIAQMDWPYMSKR-LLVKDONJSA-N 0 1 330.291 3.730 20 10 EHCDMN C[C@H](Cc1ccco1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854473650 1136619197 /nfs/dbraw/zinc/61/91/97/1136619197.db2.gz CORZKSUEGGTBRU-SECBINFHSA-N 0 1 328.195 3.787 20 10 EHCDMN C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(Br)cc1[O-] ZINC000815642702 1136625163 /nfs/dbraw/zinc/62/51/63/1136625163.db2.gz JYWXIFCQQGVBCY-VHSXEESVSA-N 0 1 337.217 3.667 20 10 EHCDMN [O-]c1c(C[NH2+]C2CCN(Cc3ccccn3)CC2)ccc2ccccc21 ZINC000816535944 1136731314 /nfs/dbraw/zinc/73/13/14/1136731314.db2.gz GWSRVHWMOMIKMT-UHFFFAOYSA-N 0 1 347.462 3.695 20 10 EHCDMN [O-]c1c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)ccc2ccccc21 ZINC000816557260 1136736239 /nfs/dbraw/zinc/73/62/39/1136736239.db2.gz JMXLYAINXKADLY-VQIMIIECSA-N 0 1 329.465 3.690 20 10 EHCDMN Cc1cccc(C)c1NC(=O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816561519 1136736921 /nfs/dbraw/zinc/73/69/21/1136736921.db2.gz AOMQXAKMBYQCAK-UHFFFAOYSA-N 0 1 334.419 3.891 20 10 EHCDMN C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816602034 1136740410 /nfs/dbraw/zinc/74/04/10/1136740410.db2.gz GIRPRTNLZPHPCT-CQSZACIVSA-N 0 1 344.455 3.938 20 10 EHCDMN C[C@@H]([NH2+]CCCC1(O)CCC1)c1cc(Br)ccc1[O-] ZINC000817586408 1136825261 /nfs/dbraw/zinc/82/52/61/1136825261.db2.gz OEDLHZVTHGAUHA-LLVKDONJSA-N 0 1 328.250 3.501 20 10 EHCDMN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCO1 ZINC000817585496 1136825438 /nfs/dbraw/zinc/82/54/38/1136825438.db2.gz FJKKYKNIRFMBAA-CYZMBNFOSA-N 0 1 328.250 3.763 20 10 EHCDMN CC[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1O ZINC000857875557 1136916747 /nfs/dbraw/zinc/91/67/47/1136916747.db2.gz SNAODRLICQBEDB-WMZOPIPTSA-N 0 1 344.842 3.800 20 10 EHCDMN CC[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1O ZINC000857875556 1136916919 /nfs/dbraw/zinc/91/69/19/1136916919.db2.gz SNAODRLICQBEDB-SJLPKXTDSA-N 0 1 344.842 3.800 20 10 EHCDMN CC(C)n1cc([C@@H](C)[NH2+]Cc2c([O-])cccc2Br)cn1 ZINC000858135252 1136942428 /nfs/dbraw/zinc/94/24/28/1136942428.db2.gz PTOXOTJUAJHAFC-LLVKDONJSA-N 0 1 338.249 3.783 20 10 EHCDMN CC(C)n1cc([C@@H](C)NCc2c(O)cccc2Br)cn1 ZINC000858135252 1136942429 /nfs/dbraw/zinc/94/24/29/1136942429.db2.gz PTOXOTJUAJHAFC-LLVKDONJSA-N 0 1 338.249 3.783 20 10 EHCDMN COc1cccc2c1CC[C@@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000858150249 1136944477 /nfs/dbraw/zinc/94/44/77/1136944477.db2.gz OZTKXHMWGPKJKV-HNNXBMFYSA-N 0 1 348.240 3.940 20 10 EHCDMN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(Cl)ccc1[O-] ZINC000858538438 1136977101 /nfs/dbraw/zinc/97/71/01/1136977101.db2.gz WBMPJSHUNAAETE-RKVPGOIHSA-N 0 1 348.830 3.717 20 10 EHCDMN Cc1ccc(F)c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000116915073 1137026711 /nfs/dbraw/zinc/02/67/11/1137026711.db2.gz QZNWTWVHFYTZLC-INIZCTEOSA-N 0 1 328.431 3.822 20 10 EHCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c(N2CCCC2)n1 ZINC000824136357 1137125488 /nfs/dbraw/zinc/12/54/88/1137125488.db2.gz VVXGBCHOOULIMZ-UHFFFAOYSA-N 0 1 331.847 3.639 20 10 EHCDMN Cc1ccc(C(C)(C)[NH2+]Cc2ccc(Br)cc2[O-])cn1 ZINC000825514961 1137180759 /nfs/dbraw/zinc/18/07/59/1137180759.db2.gz VHZXZEDJGRUBOD-UHFFFAOYSA-N 0 1 335.245 3.883 20 10 EHCDMN CC[N@@H+](Cc1ccncc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298436 1137268426 /nfs/dbraw/zinc/26/84/26/1137268426.db2.gz DKKBMTYETZOOEE-UHFFFAOYSA-N 0 1 339.208 3.711 20 10 EHCDMN C[C@H]1CCN(Cc2cc(Br)c(F)cc2O)CC1(F)F ZINC001144298485 1137268658 /nfs/dbraw/zinc/26/86/58/1137268658.db2.gz DPJNGHDSSQOIJL-QMMMGPOBSA-N 0 1 338.167 3.771 20 10 EHCDMN Cc1ccc(O)c(CNCc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC000865804176 1137313034 /nfs/dbraw/zinc/31/30/34/1137313034.db2.gz QTFQMILGOVFQNZ-UHFFFAOYSA-N 0 1 339.361 3.542 20 10 EHCDMN COc1ccc(O)c([C@@H](C)NCc2c(Cl)n(C)nc2C(C)C)c1 ZINC000845972143 1137322530 /nfs/dbraw/zinc/32/25/30/1137322530.db2.gz JMGTWDXKZBDPDW-LLVKDONJSA-N 0 1 337.851 3.762 20 10 EHCDMN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000846056674 1137327204 /nfs/dbraw/zinc/32/72/04/1137327204.db2.gz WPJKGYSZCBWDOZ-BYCMXARLSA-N 0 1 325.836 3.503 20 10 EHCDMN C[C@@]1(CC[NH2+]Cc2cc(Br)ccc2[O-])C[C@]1(F)Cl ZINC000846035879 1137328278 /nfs/dbraw/zinc/32/82/78/1137328278.db2.gz LMHZPVQYPGYZSH-CHWSQXEVSA-N 0 1 336.632 3.949 20 10 EHCDMN CN(C)c1ccc(CN[C@H](Cc2ccccc2)c2nccn2C)cc1 ZINC000846056877 1137331464 /nfs/dbraw/zinc/33/14/64/1137331464.db2.gz IPXYXTCISBFXCQ-HXUWFJFHSA-N 0 1 334.467 3.560 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc2ccccc2c1[O-] ZINC000846216493 1137341828 /nfs/dbraw/zinc/34/18/28/1137341828.db2.gz RYVMLGOGBFQFLN-AUUYWEPGSA-N 0 1 348.446 3.972 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Cl)ccc1[O-] ZINC000846215562 1137341887 /nfs/dbraw/zinc/34/18/87/1137341887.db2.gz LMTQDCHXNIHONC-CVEARBPZSA-N 0 1 346.858 3.863 20 10 EHCDMN Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000846279189 1137344857 /nfs/dbraw/zinc/34/48/57/1137344857.db2.gz WUQVBFHHTZFZCP-NSHGMRRFSA-N 0 1 342.483 3.670 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000866614961 1137369595 /nfs/dbraw/zinc/36/95/95/1137369595.db2.gz QUJACWOEMMCFAK-GWCFXTLKSA-N 0 1 327.350 3.946 20 10 EHCDMN CCCCN(Cc1ccccc1O)C(=O)c1n[nH]cc1C(F)(F)F ZINC000868110309 1137397363 /nfs/dbraw/zinc/39/73/63/1137397363.db2.gz YNHGRIPWIFDLPA-UHFFFAOYSA-N 0 1 341.333 3.577 20 10 EHCDMN Cc1cncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000773122330 1137467039 /nfs/dbraw/zinc/46/70/39/1137467039.db2.gz SLTPWHXOXQFSDJ-HNNXBMFYSA-N 0 1 345.874 3.731 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1[O-] ZINC000872280052 1137577527 /nfs/dbraw/zinc/57/75/27/1137577527.db2.gz IUUMIAPRSSDTDD-KRWDZBQOSA-N 0 1 335.419 3.658 20 10 EHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1[O-] ZINC000872280052 1137577528 /nfs/dbraw/zinc/57/75/28/1137577528.db2.gz IUUMIAPRSSDTDD-KRWDZBQOSA-N 0 1 335.419 3.658 20 10 EHCDMN COc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)cc1Cn1cccn1 ZINC000873126968 1137590784 /nfs/dbraw/zinc/59/07/84/1137590784.db2.gz FVEIVSIICPNHHV-QVKFZJNVSA-N 0 1 349.434 3.552 20 10 EHCDMN CSc1cc2c(cc1NCc1ccc(F)c(F)c1O)OCCO2 ZINC000877160057 1137671873 /nfs/dbraw/zinc/67/18/73/1137671873.db2.gz QSEQHMCRRIHCMG-UHFFFAOYSA-N 0 1 339.363 3.776 20 10 EHCDMN CCN1C(=O)CCc2cc(NCc3ccc(F)c(F)c3O)ccc21 ZINC000877347676 1137674654 /nfs/dbraw/zinc/67/46/54/1137674654.db2.gz NSPRZXVLLFJXNO-UHFFFAOYSA-N 0 1 332.350 3.582 20 10 EHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1Cl ZINC000877645481 1137684170 /nfs/dbraw/zinc/68/41/70/1137684170.db2.gz MOGJUKSNYDXQHR-INIZCTEOSA-N 0 1 332.831 3.540 20 10 EHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](OCc3ccccn3)C2)cc1Cl ZINC000877645481 1137684171 /nfs/dbraw/zinc/68/41/71/1137684171.db2.gz MOGJUKSNYDXQHR-INIZCTEOSA-N 0 1 332.831 3.540 20 10 EHCDMN CN(C)c1ccc(CN[C@H]2CCCn3nccc32)c(C(F)(F)F)c1 ZINC000877778127 1137689305 /nfs/dbraw/zinc/68/93/05/1137689305.db2.gz JOXWNDXDOXIPRT-HNNXBMFYSA-N 0 1 338.377 3.593 20 10 EHCDMN CCOc1cccc(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000130643719 1137840382 /nfs/dbraw/zinc/84/03/82/1137840382.db2.gz JCAWWHBAXURWTP-KXBFYZLASA-N 0 1 327.424 3.753 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1cc(Cl)ccc1[O-] ZINC000886771265 1138137308 /nfs/dbraw/zinc/13/73/08/1138137308.db2.gz FMKLEFIKCHWQHH-CVRPBIKUSA-N 0 1 339.863 3.669 20 10 EHCDMN COC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000886789187 1138140757 /nfs/dbraw/zinc/14/07/57/1138140757.db2.gz QFBQKTYJKIQQLP-ALKREAHSSA-N 0 1 329.440 3.638 20 10 EHCDMN COc1sc(CN(C)Cc2ccccc2O)cc1Br ZINC000091956623 1138223550 /nfs/dbraw/zinc/22/35/50/1138223550.db2.gz YZSJRSQFYRLJNM-UHFFFAOYSA-N 0 1 342.258 3.857 20 10 EHCDMN Oc1c(Cl)cc(Cl)cc1CNc1nnc([C@H]2CCCO2)o1 ZINC000181789548 1139930615 /nfs/dbraw/zinc/93/06/15/1139930615.db2.gz RPNQGXIZAVMFKR-SNVBAGLBSA-N 0 1 330.171 3.546 20 10 EHCDMN CC[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1nccn1C ZINC000182909945 1140000351 /nfs/dbraw/zinc/00/03/51/1140000351.db2.gz LKALENQEXSYCKR-IBGZPJMESA-N 0 1 326.488 3.897 20 10 EHCDMN COc1cc(Cl)cc(CNC(C)(C)c2ncc(C)s2)c1O ZINC000184709752 1140116238 /nfs/dbraw/zinc/11/62/38/1140116238.db2.gz FPYASRJSTUCLCP-UHFFFAOYSA-N 0 1 326.849 3.844 20 10 EHCDMN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(Cl)ccc1[O-] ZINC000184979524 1140129167 /nfs/dbraw/zinc/12/91/67/1140129167.db2.gz LIPPYNIQKFXGSI-LBPRGKRZSA-N 0 1 348.830 3.594 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184997958 1140130351 /nfs/dbraw/zinc/13/03/51/1140130351.db2.gz HISYGRXWWTZMRS-WDEREUQCSA-N 0 1 329.271 3.834 20 10 EHCDMN C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000185053621 1140133701 /nfs/dbraw/zinc/13/37/01/1140133701.db2.gz NFBFQKYYIRPNLI-AWEZNQCLSA-N 0 1 345.874 3.756 20 10 EHCDMN COCC[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCOC1 ZINC000782959959 1016860272 /nfs/dbraw/zinc/86/02/72/1016860272.db2.gz DTPVIBNABQKBQR-OAHLLOKOSA-N 0 1 341.407 3.529 20 10 EHCDMN COCC[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCOC1 ZINC000782959959 1016860286 /nfs/dbraw/zinc/86/02/86/1016860286.db2.gz DTPVIBNABQKBQR-OAHLLOKOSA-N 0 1 341.407 3.529 20 10 EHCDMN C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc2ccccc2c1[O-] ZINC000184988673 1032351053 /nfs/dbraw/zinc/35/10/53/1032351053.db2.gz ZEEVRBIQJCYOBC-HNNXBMFYSA-N 0 1 344.418 3.977 20 10 EHCDMN C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc2ccccc2c1[O-] ZINC000184989535 1032352021 /nfs/dbraw/zinc/35/20/21/1032352021.db2.gz JUULVEWWXQJHHA-OAHLLOKOSA-N 0 1 344.418 3.977 20 10 EHCDMN CCCCOc1ncccc1CNCc1cc(C)cc(OC)c1O ZINC000894207493 1019201812 /nfs/dbraw/zinc/20/18/12/1019201812.db2.gz YERQKGQWYIYGRC-UHFFFAOYSA-N 0 1 330.428 3.573 20 10 EHCDMN Cc1c(Cl)ncc(F)c1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167431420 1019900286 /nfs/dbraw/zinc/90/02/86/1019900286.db2.gz YMQSAASGEGFYNI-UHFFFAOYSA-N 0 1 348.853 3.546 20 10 EHCDMN CC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000897732808 1033164762 /nfs/dbraw/zinc/16/47/62/1033164762.db2.gz HYAXQZHRXKBOOR-CQSZACIVSA-N 0 1 345.340 3.818 20 10 EHCDMN COc1ccc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c(O)c1OC ZINC000892035396 1024428578 /nfs/dbraw/zinc/42/85/78/1024428578.db2.gz IBPLTNCJIHJBRH-AWEZNQCLSA-N 0 1 348.468 3.684 20 10 EHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000895149438 1025128404 /nfs/dbraw/zinc/12/84/04/1025128404.db2.gz HBVIPBJMTZOWSR-LBPRGKRZSA-N 0 1 336.151 3.525 20 10 EHCDMN [O-]c1c(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccc(F)c1F ZINC000896224414 1025245243 /nfs/dbraw/zinc/24/52/43/1025245243.db2.gz HEBIKSJQMSLZHV-GFCCVEGCSA-N 0 1 325.252 3.537 20 10 EHCDMN CCOCc1cc(CNCc2cnc(Cl)s2)ccc1OC ZINC000895155703 1025256040 /nfs/dbraw/zinc/25/60/40/1025256040.db2.gz MBFVBMQYVGSLMB-UHFFFAOYSA-N 0 1 326.849 3.631 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)ccc2ccccc21 ZINC000896452535 1025443862 /nfs/dbraw/zinc/44/38/62/1025443862.db2.gz OCTYPFOYFWJCSV-XYWHTSSQSA-N 0 1 333.431 3.728 20 10 EHCDMN Cc1nc(CC2CC[NH+](Cc3c([O-])cc(C)cc3Cl)CC2)no1 ZINC000896550360 1025593544 /nfs/dbraw/zinc/59/35/44/1025593544.db2.gz VFHLRLAPKLDPSU-UHFFFAOYSA-N 0 1 335.835 3.500 20 10 EHCDMN Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)nc1C ZINC000840782443 1026216754 /nfs/dbraw/zinc/21/67/54/1026216754.db2.gz CPOWUPZWALTXOX-MRXNPFEDSA-N 0 1 343.446 3.525 20 10 EHCDMN CC(C)c1nnc([C@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000273494826 1027457145 /nfs/dbraw/zinc/45/71/45/1027457145.db2.gz OZCFWYVZSIMGLT-STQMWFEESA-N 0 1 328.460 3.924 20 10 EHCDMN CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000897523307 1028319159 /nfs/dbraw/zinc/31/91/59/1028319159.db2.gz UETWNTQVVPNTKW-CYBMUJFWSA-N 0 1 325.758 3.619 20 10 EHCDMN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000271708544 1029133015 /nfs/dbraw/zinc/13/30/15/1029133015.db2.gz UTMKUBGLWDQHEU-GFCCVEGCSA-N 0 1 331.387 3.902 20 10 EHCDMN CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1cc(Br)ccc1[O-] ZINC000040774023 1031190436 /nfs/dbraw/zinc/19/04/36/1031190436.db2.gz GXILRERSUQOBQN-OCCSQVGLSA-N 0 1 330.266 3.602 20 10 EHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001142530343 1033327654 /nfs/dbraw/zinc/32/76/54/1033327654.db2.gz FDFJLSWCZFBYNB-UHFFFAOYSA-N 0 1 336.357 3.522 20 10 EHCDMN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000227022464 1033665385 /nfs/dbraw/zinc/66/53/85/1033665385.db2.gz ZGXJBIPJVJQJPY-LBPRGKRZSA-N 0 1 340.851 3.535 20 10 EHCDMN CC[C@H]([NH2+]CC(C)(C)CCCO)c1cc(Br)ccc1[O-] ZINC000229560283 1034239515 /nfs/dbraw/zinc/23/95/15/1034239515.db2.gz GEVNMIPAFRCTBK-AWEZNQCLSA-N 0 1 344.293 3.994 20 10 EHCDMN COc1cc(Cl)cc(C[N@@H+](C)CCOc2ccc(F)cc2)c1O ZINC000761185135 1034329492 /nfs/dbraw/zinc/32/94/92/1034329492.db2.gz YTKLJYSUKKCSRO-UHFFFAOYSA-N 0 1 339.794 3.704 20 10 EHCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccc2c(c1)CCO2 ZINC000897417971 1036318245 /nfs/dbraw/zinc/31/82/45/1036318245.db2.gz IIIAYRCZSQSESY-LLVKDONJSA-N 0 1 348.240 3.940 20 10 EHCDMN C[C@H]([NH2+]CC1SCCS1)c1cc(Br)ccc1[O-] ZINC000850560195 1036666029 /nfs/dbraw/zinc/66/60/29/1036666029.db2.gz IZORHSOVSUISMJ-QMMMGPOBSA-N 0 1 334.304 3.611 20 10 EHCDMN COC[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(F)c(F)c1 ZINC000182684804 1038627359 /nfs/dbraw/zinc/62/73/59/1038627359.db2.gz YOVGBICXFRUOGI-IBGZPJMESA-N 0 1 346.421 3.825 20 10 EHCDMN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCSC1 ZINC000182986446 1038658039 /nfs/dbraw/zinc/65/80/39/1038658039.db2.gz WMUFLQJKKUIZEB-QGZVFWFLSA-N 0 1 329.465 3.909 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000728774508 1039754352 /nfs/dbraw/zinc/75/43/52/1039754352.db2.gz KVDWHJMMVUCFNQ-SFHVURJKSA-N 0 1 347.842 3.893 20 10 EHCDMN CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@@H]1CCOC1 ZINC000893951600 1039878348 /nfs/dbraw/zinc/87/83/48/1039878348.db2.gz IWLLVZUUTKNIMZ-JTQLQIEISA-N 0 1 348.668 3.667 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000107713271 1043857963 /nfs/dbraw/zinc/85/79/63/1043857963.db2.gz CITCBLXMXWZFBH-OAHLLOKOSA-N 0 1 345.748 3.888 20 10 EHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(Br)cn1 ZINC000279895242 1044817345 /nfs/dbraw/zinc/81/73/45/1044817345.db2.gz VOMVCFRPNLDTOV-LBPRGKRZSA-N 0 1 334.261 3.761 20 10 EHCDMN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000846185062 1137340057 /nfs/dbraw/zinc/34/00/57/1137340057.db2.gz UPVQFIDMUIURFF-MJVIPROJSA-N 0 1 330.266 3.602 20 10 EHCDMN CN(Cc1cccnc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183660528 1125667763 /nfs/dbraw/zinc/66/77/63/1125667763.db2.gz OSGAIXMHHXZZAL-UHFFFAOYSA-N 0 1 334.419 3.998 20 10 EHCDMN CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000229565636 1120968552 /nfs/dbraw/zinc/96/85/52/1120968552.db2.gz BIDAPYWNQQFSSR-JKOKRWQUSA-N 0 1 328.250 3.763 20 10 EHCDMN Cc1cccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000917075165 1122472543 /nfs/dbraw/zinc/47/25/43/1122472543.db2.gz RCCNAVZPBKNPQV-UHFFFAOYSA-N 0 1 339.483 3.910 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922586632 1129584690 /nfs/dbraw/zinc/58/46/90/1129584690.db2.gz PDNVUHVGURCLGB-MRXNPFEDSA-N 0 1 333.229 3.791 20 10 EHCDMN CCCC[N@H+](CCCCCS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000282407845 1129706949 /nfs/dbraw/zinc/70/69/49/1129706949.db2.gz IIEGMPDFRBVRTP-UHFFFAOYSA-N 0 1 341.517 3.599 20 10 EHCDMN CCCC[N@@H+](CCCCCS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000282407845 1129706953 /nfs/dbraw/zinc/70/69/53/1129706953.db2.gz IIEGMPDFRBVRTP-UHFFFAOYSA-N 0 1 341.517 3.599 20 10 EHCDMN COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1c([O-])cccc1F ZINC001137839162 1130566713 /nfs/dbraw/zinc/56/67/13/1130566713.db2.gz UIRTZRVDYCIMCZ-CQSZACIVSA-N 0 1 333.403 3.577 20 10 EHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 ZINC000741678522 1131634495 /nfs/dbraw/zinc/63/44/95/1131634495.db2.gz SOSQOBSXFQACEI-GOSISDBHSA-N 0 1 347.547 3.999 20 10 EHCDMN Cc1cc(O)c(CNCc2nn(-c3ccccc3)c3c2CCC3)cc1C ZINC000742367010 1131710470 /nfs/dbraw/zinc/71/04/70/1131710470.db2.gz CTVSMYVONUWNLB-UHFFFAOYSA-N 0 1 347.462 3.973 20 10 EHCDMN COc1ccc(N2CCN([C@@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172717883 1131818729 /nfs/dbraw/zinc/81/87/29/1131818729.db2.gz ZBAAEJWFZMXNBI-LJQANCHMSA-N 0 1 342.870 3.638 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000691418215 1132078811 /nfs/dbraw/zinc/07/88/11/1132078811.db2.gz YPQCXOWUEJHQIW-YHWZYXNKSA-N 0 1 328.275 3.671 20 10 EHCDMN COc1ccc(CNCc2cc(F)ccc2F)cc1Cn1cccn1 ZINC001177779743 1133101729 /nfs/dbraw/zinc/10/17/29/1133101729.db2.gz PDAGRRGSPKABMR-UHFFFAOYSA-N 0 1 343.377 3.508 20 10 EHCDMN COc1cccc(O)c1CN(C)Cc1cc(Br)cs1 ZINC000768814421 1133180494 /nfs/dbraw/zinc/18/04/94/1133180494.db2.gz ZURZPDQTQHPONA-UHFFFAOYSA-N 0 1 342.258 3.857 20 10 EHCDMN Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])on1 ZINC000768879614 1133195764 /nfs/dbraw/zinc/19/57/64/1133195764.db2.gz WBXHYIBLDZIPEC-LBPRGKRZSA-N 0 1 337.763 3.587 20 10 EHCDMN Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])on1 ZINC000768879614 1133195767 /nfs/dbraw/zinc/19/57/67/1133195767.db2.gz WBXHYIBLDZIPEC-LBPRGKRZSA-N 0 1 337.763 3.587 20 10 EHCDMN CCN(C)c1ccc(CN2CCN(c3nc(C)c(C)s3)CC2)cc1 ZINC000773782399 1133209959 /nfs/dbraw/zinc/20/99/59/1133209959.db2.gz BXPQAUNIGVOBRF-UHFFFAOYSA-N 0 1 344.528 3.538 20 10 EHCDMN CC[N@@H+](CCc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000769034591 1133216310 /nfs/dbraw/zinc/21/63/10/1133216310.db2.gz FENZYJZKULSFDY-UHFFFAOYSA-N 0 1 335.245 3.614 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000769104860 1133232453 /nfs/dbraw/zinc/23/24/53/1133232453.db2.gz KFNOEWPWTXUPAY-UHFFFAOYSA-N 0 1 347.256 3.929 20 10 EHCDMN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000769417870 1133280488 /nfs/dbraw/zinc/28/04/88/1133280488.db2.gz QFTFHVFAWWUJMN-GHMZBOCLSA-N 0 1 328.840 3.609 20 10 EHCDMN CCOC(=O)CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])CC1CC1 ZINC001180253490 1133350958 /nfs/dbraw/zinc/35/09/58/1133350958.db2.gz NVYYMBNUZYWHIL-UHFFFAOYSA-N 0 1 325.836 3.519 20 10 EHCDMN CCOC(=O)CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])CC1CC1 ZINC001180253490 1133350964 /nfs/dbraw/zinc/35/09/64/1133350964.db2.gz NVYYMBNUZYWHIL-UHFFFAOYSA-N 0 1 325.836 3.519 20 10 EHCDMN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000770330838 1133406569 /nfs/dbraw/zinc/40/65/69/1133406569.db2.gz BYCZFMRYOSGZLR-CYBMUJFWSA-N 0 1 339.863 3.989 20 10 EHCDMN CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000770330838 1133406573 /nfs/dbraw/zinc/40/65/73/1133406573.db2.gz BYCZFMRYOSGZLR-CYBMUJFWSA-N 0 1 339.863 3.989 20 10 EHCDMN CCc1ccc([C@@H]2CN(Cc3cc(F)cc(F)c3O)CCO2)cc1 ZINC001180885398 1133419927 /nfs/dbraw/zinc/41/99/27/1133419927.db2.gz PQINNWYVBQHZEE-SFHVURJKSA-N 0 1 333.378 3.806 20 10 EHCDMN CS[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000770353267 1133420377 /nfs/dbraw/zinc/42/03/77/1133420377.db2.gz ZCQGABDUVZAMNB-LBPRGKRZSA-N 0 1 330.837 3.671 20 10 EHCDMN CO[C@@]1(C)CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001181399121 1133487347 /nfs/dbraw/zinc/48/73/47/1133487347.db2.gz HLACDLNULFRGTA-INIZCTEOSA-N 0 1 330.394 3.772 20 10 EHCDMN CN1CCCc2cc(CNCc3ncccc3C(F)(F)F)ccc21 ZINC000152422447 1133720030 /nfs/dbraw/zinc/72/00/30/1133720030.db2.gz GTAIRPUEBHDJOL-UHFFFAOYSA-N 0 1 335.373 3.773 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)cc1Cl ZINC001183074384 1133761800 /nfs/dbraw/zinc/76/18/00/1133761800.db2.gz FTGJRSBZPRGGOR-UHFFFAOYSA-N 0 1 339.863 3.956 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1cc(Cl)ccc1[O-] ZINC000786581991 1133869991 /nfs/dbraw/zinc/86/99/91/1133869991.db2.gz KFSFLLUELRJIIB-SJLPKXTDSA-N 0 1 333.859 3.998 20 10 EHCDMN CC[C@@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1cc(Cl)ccc1[O-] ZINC000786575790 1133876973 /nfs/dbraw/zinc/87/69/73/1133876973.db2.gz MSGQSAHXFPUCCS-SJLPKXTDSA-N 0 1 333.859 3.998 20 10 EHCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774835017 1134037504 /nfs/dbraw/zinc/03/75/04/1134037504.db2.gz HLKLEWUBUJYXPO-OAHLLOKOSA-N 0 1 328.368 3.646 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774835017 1134037510 /nfs/dbraw/zinc/03/75/10/1134037510.db2.gz HLKLEWUBUJYXPO-OAHLLOKOSA-N 0 1 328.368 3.646 20 10 EHCDMN COc1c([O-])c(C[N@H+](Cc2ccccc2)CC(C)C)ccc1[N+](=O)[O-] ZINC000774838074 1134045520 /nfs/dbraw/zinc/04/55/20/1134045520.db2.gz HTPPDHQMRKBPSK-UHFFFAOYSA-N 0 1 344.411 3.967 20 10 EHCDMN COc1c([O-])c(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774884319 1134091994 /nfs/dbraw/zinc/09/19/94/1134091994.db2.gz KJVCCHPSFONVGR-XJKSGUPXSA-N 0 1 342.395 3.687 20 10 EHCDMN CC1(C)CC[N@H+](Cc2cc(Br)ccc2[O-])CCS1 ZINC000789762916 1134328007 /nfs/dbraw/zinc/32/80/07/1134328007.db2.gz AZYPPSRJPZNWIB-UHFFFAOYSA-N 0 1 330.291 3.872 20 10 EHCDMN CC1(C)CC[N@@H+](Cc2cc(Br)ccc2[O-])CCS1 ZINC000789762916 1134328015 /nfs/dbraw/zinc/32/80/15/1134328015.db2.gz AZYPPSRJPZNWIB-UHFFFAOYSA-N 0 1 330.291 3.872 20 10 EHCDMN O=C([O-])C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccs1 ZINC000789897929 1134347294 /nfs/dbraw/zinc/34/72/94/1134347294.db2.gz PRYBQJGZXIYGLH-JTQLQIEISA-N 0 1 329.780 3.552 20 10 EHCDMN Cc1cc(F)ccc1N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203664628 1134358224 /nfs/dbraw/zinc/35/82/24/1134358224.db2.gz NYIMOAYIZOPGCR-UHFFFAOYSA-N 0 1 334.822 3.815 20 10 EHCDMN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2F)c(C)c(C)c1O ZINC000790069139 1134362745 /nfs/dbraw/zinc/36/27/45/1134362745.db2.gz ULHOISAWBSHWRK-UHFFFAOYSA-N 0 1 343.807 3.911 20 10 EHCDMN Cn1ccnc1[C@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000790949646 1134484065 /nfs/dbraw/zinc/48/40/65/1134484065.db2.gz GRPGHABLWLTATJ-QGZVFWFLSA-N 0 1 345.805 3.797 20 10 EHCDMN CC(C)[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)COc1ccccc1 ZINC000775199309 1134508902 /nfs/dbraw/zinc/50/89/02/1134508902.db2.gz HONWYVWKURPPAN-QGZVFWFLSA-N 0 1 349.858 3.696 20 10 EHCDMN CC(C)[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000775199309 1134508907 /nfs/dbraw/zinc/50/89/07/1134508907.db2.gz HONWYVWKURPPAN-QGZVFWFLSA-N 0 1 349.858 3.696 20 10 EHCDMN CC(C)[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000775199309 1134508915 /nfs/dbraw/zinc/50/89/15/1134508915.db2.gz HONWYVWKURPPAN-QGZVFWFLSA-N 0 1 349.858 3.696 20 10 EHCDMN CCc1nc([C@@H]2CCCCN2Cc2c(O)ccc(Cl)c2F)no1 ZINC000792167366 1134661708 /nfs/dbraw/zinc/66/17/08/1134661708.db2.gz PRSNUTXOQLFIER-LBPRGKRZSA-N 0 1 339.798 3.857 20 10 EHCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000792165583 1134661788 /nfs/dbraw/zinc/66/17/88/1134661788.db2.gz IZILQZHNMWRPJW-LJQANCHMSA-N 0 1 347.817 3.859 20 10 EHCDMN COC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccc(F)c(F)c1 ZINC000775410798 1134748741 /nfs/dbraw/zinc/74/87/41/1134748741.db2.gz TXSLQWCZQMGKDL-GOSISDBHSA-N 0 1 334.410 3.817 20 10 EHCDMN CCCN(CCC)c1ccc(CN2CCO[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000793230311 1134879935 /nfs/dbraw/zinc/87/99/35/1134879935.db2.gz FVKIAONNUCKPGZ-RXVVDRJESA-N 0 1 346.515 3.693 20 10 EHCDMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(O)cc1C ZINC001191697824 1134908855 /nfs/dbraw/zinc/90/88/55/1134908855.db2.gz TVSXVZZNXVZRSU-UHFFFAOYSA-N 0 1 335.425 3.633 20 10 EHCDMN CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775493246 1134945951 /nfs/dbraw/zinc/94/59/51/1134945951.db2.gz WEFYGALQWPUYMS-AWEZNQCLSA-N 0 1 349.302 3.708 20 10 EHCDMN CC[C@H]([NH2+]CCCN(C)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775493246 1134945956 /nfs/dbraw/zinc/94/59/56/1134945956.db2.gz WEFYGALQWPUYMS-AWEZNQCLSA-N 0 1 349.302 3.708 20 10 EHCDMN CC[C@@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1cc(Cl)ccc1[O-] ZINC000775493797 1134952720 /nfs/dbraw/zinc/95/27/20/1134952720.db2.gz VHHXPHJWHZXAKT-QGZVFWFLSA-N 0 1 346.858 3.825 20 10 EHCDMN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000775514048 1134983855 /nfs/dbraw/zinc/98/38/55/1134983855.db2.gz UIRBLWDUIVICOB-UXIGCNINSA-N 0 1 344.293 3.993 20 10 EHCDMN Nc1cccc2cccc(NC(=O)c3cc(O)c(O)c(Cl)c3)c12 ZINC001193626422 1135161162 /nfs/dbraw/zinc/16/11/62/1135161162.db2.gz ZTJRQVSIFXECPF-UHFFFAOYSA-N 0 1 328.755 3.739 20 10 EHCDMN CCCC[C@@H](COC)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134532 1135237216 /nfs/dbraw/zinc/23/72/16/1135237216.db2.gz BUSHBCBNCVQETF-LBPRGKRZSA-N 0 1 349.258 3.703 20 10 EHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000775645006 1135392785 /nfs/dbraw/zinc/39/27/85/1135392785.db2.gz AHQDKWDKHZSSLX-UHFFFAOYSA-N 0 1 348.849 3.893 20 10 EHCDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1c(O)cccc1Br ZINC001205752389 1135510440 /nfs/dbraw/zinc/51/04/40/1135510440.db2.gz KJLSJDKHEWSEDZ-OLZOCXBDSA-N 0 1 342.277 3.670 20 10 EHCDMN C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC001205752389 1135510442 /nfs/dbraw/zinc/51/04/42/1135510442.db2.gz KJLSJDKHEWSEDZ-OLZOCXBDSA-N 0 1 342.277 3.670 20 10 EHCDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1c([O-])cccc1Br ZINC001205752389 1135510447 /nfs/dbraw/zinc/51/04/47/1135510447.db2.gz KJLSJDKHEWSEDZ-OLZOCXBDSA-N 0 1 342.277 3.670 20 10 EHCDMN COc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837713 1135580152 /nfs/dbraw/zinc/58/01/52/1135580152.db2.gz BJCAUOQCQVYHLI-UHFFFAOYSA-N 0 1 340.206 3.567 20 10 EHCDMN CCC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000807836578 1135580609 /nfs/dbraw/zinc/58/06/09/1135580609.db2.gz GHAKKQOYKCBORR-UHFFFAOYSA-N 0 1 332.227 3.522 20 10 EHCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)n1C ZINC000807838808 1135581707 /nfs/dbraw/zinc/58/17/07/1135581707.db2.gz RBWBFWPDDZKKES-UHFFFAOYSA-N 0 1 327.211 3.584 20 10 EHCDMN Nc1c(F)c(NCc2cc(Cl)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000808089814 1135616207 /nfs/dbraw/zinc/61/62/07/1135616207.db2.gz ZSJPSZOINYYTTC-UHFFFAOYSA-N 0 1 346.145 3.941 20 10 EHCDMN CO[C@H](C)c1nsc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808089827 1135616254 /nfs/dbraw/zinc/61/62/54/1135616254.db2.gz KWUDTTIPXMWRQM-ZCFIWIBFSA-N 0 1 334.228 3.870 20 10 EHCDMN CC(C)c1nnc(C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000808478879 1135676850 /nfs/dbraw/zinc/67/68/50/1135676850.db2.gz COWLSDBTEJLVRO-UHFFFAOYSA-N 0 1 346.239 3.604 20 10 EHCDMN CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000808729636 1135723044 /nfs/dbraw/zinc/72/30/44/1135723044.db2.gz NBZWNDAYCLNJHE-HDMKZQKVSA-N 0 1 333.815 3.581 20 10 EHCDMN C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(Br)ccc1[O-] ZINC000808728031 1135724250 /nfs/dbraw/zinc/72/42/50/1135724250.db2.gz NLLKDTBBEZBDFL-RYUDHWBXSA-N 0 1 348.240 3.982 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)c1O ZINC001198685313 1135847182 /nfs/dbraw/zinc/84/71/82/1135847182.db2.gz IVEITPHYZNVYJI-IRXDYDNUSA-N 0 1 337.847 3.782 20 10 EHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC001198685313 1135847189 /nfs/dbraw/zinc/84/71/89/1135847189.db2.gz IVEITPHYZNVYJI-IRXDYDNUSA-N 0 1 337.847 3.782 20 10 EHCDMN C[C@@H](NCc1cccc(Cl)c1O)c1noc(Cc2ccccc2)n1 ZINC000809658863 1135861754 /nfs/dbraw/zinc/86/17/54/1135861754.db2.gz YHYFFSVJSSPPMD-GFCCVEGCSA-N 0 1 343.814 3.870 20 10 EHCDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809700836 1135869467 /nfs/dbraw/zinc/86/94/67/1135869467.db2.gz PEQMJWJARBJPCG-OCCSQVGLSA-N 0 1 342.277 3.670 20 10 EHCDMN CCCN(CCC)c1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000809686788 1135871755 /nfs/dbraw/zinc/87/17/55/1135871755.db2.gz LBKMWKBTGQJWQB-NRFANRHFSA-N 0 1 346.515 3.694 20 10 EHCDMN COc1ccccc1/C=C\C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809713686 1135876232 /nfs/dbraw/zinc/87/62/32/1135876232.db2.gz XTMHUJICZRDBCC-XQRVVYSFSA-N 0 1 348.240 3.966 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc2cnccc21 ZINC000809713123 1135876366 /nfs/dbraw/zinc/87/63/66/1135876366.db2.gz JEWWKHQBEIBZRV-UHFFFAOYSA-N 0 1 343.224 3.993 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000776015385 1135921308 /nfs/dbraw/zinc/92/13/08/1135921308.db2.gz BUFPRQJIBSKDQV-UHFFFAOYSA-N 0 1 340.261 3.547 20 10 EHCDMN CC[C@@H]([NH2+]CCOc1cccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217605 1135939069 /nfs/dbraw/zinc/93/90/69/1135939069.db2.gz IHGJSSILKZNOEY-OAHLLOKOSA-N 0 1 340.345 3.926 20 10 EHCDMN CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226974 1135940775 /nfs/dbraw/zinc/94/07/75/1135940775.db2.gz OWTFMLMPVBGVLH-CHNHFMQUSA-N 0 1 337.407 3.609 20 10 EHCDMN CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209792 1135943331 /nfs/dbraw/zinc/94/33/31/1135943331.db2.gz VVCBOEXVWSOIFM-BLLLJJGKSA-N 0 1 342.405 3.936 20 10 EHCDMN CC[C@H]([NH2+]C1COC(C)(C)OC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236489 1135946394 /nfs/dbraw/zinc/94/63/94/1135946394.db2.gz GUDYSHWDVWEVPJ-ZDUSSCGKSA-N 0 1 333.350 3.603 20 10 EHCDMN CC[C@@H]([NH2+]CCc1nnc(C)s1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810243341 1135947268 /nfs/dbraw/zinc/94/72/68/1135947268.db2.gz NLFZHTQPRVKRAL-GFCCVEGCSA-N 0 1 345.390 3.854 20 10 EHCDMN CSC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000805388853 1136025434 /nfs/dbraw/zinc/02/54/34/1136025434.db2.gz VKIAJANCEVEPCC-UHFFFAOYSA-N 0 1 349.283 3.784 20 10 EHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000811511568 1136103349 /nfs/dbraw/zinc/10/33/49/1136103349.db2.gz NNEPXHOVDJOHKG-JTQLQIEISA-N 0 1 334.204 3.940 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811513204 1136103375 /nfs/dbraw/zinc/10/33/75/1136103375.db2.gz REJDTERKVCJMRC-KRWDZBQOSA-N 0 1 328.843 3.683 20 10 EHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811513204 1136103377 /nfs/dbraw/zinc/10/33/77/1136103377.db2.gz REJDTERKVCJMRC-KRWDZBQOSA-N 0 1 328.843 3.683 20 10 EHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000812773026 1136245244 /nfs/dbraw/zinc/24/52/44/1136245244.db2.gz VGOBSUVBGALENF-CYBMUJFWSA-N 0 1 334.822 3.801 20 10 EHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000812780245 1136246390 /nfs/dbraw/zinc/24/63/90/1136246390.db2.gz XQIHSISODCTJKT-HXUWFJFHSA-N 0 1 345.870 3.863 20 10 EHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000812780245 1136246392 /nfs/dbraw/zinc/24/63/92/1136246392.db2.gz XQIHSISODCTJKT-HXUWFJFHSA-N 0 1 345.870 3.863 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000850406766 1136251293 /nfs/dbraw/zinc/25/12/93/1136251293.db2.gz SPZRUQHKQNTCMV-OAHLLOKOSA-N 0 1 328.431 3.638 20 10 EHCDMN CN(Cc1nc2ccc(Br)cc2o1)Cc1ccccc1O ZINC000812829422 1136255952 /nfs/dbraw/zinc/25/59/52/1136255952.db2.gz CSVUJYGNQPUKFM-UHFFFAOYSA-N 0 1 347.212 3.928 20 10 EHCDMN C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000850482474 1136267450 /nfs/dbraw/zinc/26/74/50/1136267450.db2.gz SMERBOXBAFTQKC-DGCLKSJQSA-N 0 1 341.293 3.678 20 10 EHCDMN CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000850520705 1136276415 /nfs/dbraw/zinc/27/64/15/1136276415.db2.gz GNYIYVHEHCYQAX-WCQYABFASA-N 0 1 339.304 3.876 20 10 EHCDMN C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc(Br)cc1[O-] ZINC000850528920 1136279039 /nfs/dbraw/zinc/27/90/39/1136279039.db2.gz OELRUESLWWACOL-QXKQMHMISA-N 0 1 348.240 3.984 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000850541387 1136282060 /nfs/dbraw/zinc/28/20/60/1136282060.db2.gz VYKDNFDNPGWKTR-DXCKQFNASA-N 0 1 333.863 3.841 20 10 EHCDMN C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000850580332 1136292440 /nfs/dbraw/zinc/29/24/40/1136292440.db2.gz KQGXEKTYOGETRZ-AYVTZFPOSA-N 0 1 345.748 3.847 20 10 EHCDMN C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N(C)Cc1ccccc1O ZINC000109771443 1136340131 /nfs/dbraw/zinc/34/01/31/1136340131.db2.gz OFIGWGCGMSDTPQ-NSHDSACASA-N 0 1 336.794 3.644 20 10 EHCDMN O=C(CCc1ccc(O)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000813684071 1136356191 /nfs/dbraw/zinc/35/61/91/1136356191.db2.gz CUHVXBZGHRJJAR-UHFFFAOYSA-N 0 1 340.206 3.654 20 10 EHCDMN COc1c([O-])c(C[N@@H+](Cc2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774815286 1136412654 /nfs/dbraw/zinc/41/26/54/1136412654.db2.gz RONSMFWRQIMBOQ-UHFFFAOYSA-N 0 1 330.384 3.720 20 10 EHCDMN COc1ccc(O)c(CNCc2ccc(Sc3ccccn3)o2)c1 ZINC000814291570 1136434929 /nfs/dbraw/zinc/43/49/29/1136434929.db2.gz PVIDPYXWJPGDLQ-UHFFFAOYSA-N 0 1 342.420 3.830 20 10 EHCDMN CCSC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000852629675 1136471920 /nfs/dbraw/zinc/47/19/20/1136471920.db2.gz XBFRDJXFACZIIS-UHFFFAOYSA-N 0 1 349.283 3.784 20 10 EHCDMN c1cn2c(n1)[C@@H](NCc1ccc3c(c1)CCO3)CCc1ccccc1-2 ZINC000853093429 1136508766 /nfs/dbraw/zinc/50/87/66/1136508766.db2.gz DPVCJYMYTZHMNH-SFHVURJKSA-N 0 1 331.419 3.584 20 10 EHCDMN Cc1cc(CN2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)ccc1N(C)C ZINC000815121154 1136553525 /nfs/dbraw/zinc/55/35/25/1136553525.db2.gz RKYLXISFZDQFBS-IRXDYDNUSA-N 0 1 345.531 3.528 20 10 EHCDMN Cc1csc([C@@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000854475410 1136619206 /nfs/dbraw/zinc/61/92/06/1136619206.db2.gz UBIMKZYOCZAHCG-QMMMGPOBSA-N 0 1 345.251 3.884 20 10 EHCDMN [O-]c1c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc2ccccc21 ZINC000816538361 1136731235 /nfs/dbraw/zinc/73/12/35/1136731235.db2.gz OVCOWMYYGJILPP-UHFFFAOYSA-N 0 1 348.446 3.672 20 10 EHCDMN O=C1OCCN1c1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816537709 1136731267 /nfs/dbraw/zinc/73/12/67/1136731267.db2.gz PCIMZLNLPXNJPX-UHFFFAOYSA-N 0 1 348.402 3.792 20 10 EHCDMN Cc1ccncc1N1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816599110 1136739870 /nfs/dbraw/zinc/73/98/70/1136739870.db2.gz COCUVABQLFBWDA-UHFFFAOYSA-N 0 1 333.435 3.571 20 10 EHCDMN [O-]c1cc(Br)ccc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857062947 1136839774 /nfs/dbraw/zinc/83/97/74/1136839774.db2.gz PAWYMYBADHUFDR-VIFPVBQESA-N 0 1 339.060 3.828 20 10 EHCDMN CN(C)[C@@H](C[NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000858087124 1136938123 /nfs/dbraw/zinc/93/81/23/1136938123.db2.gz KBOOGSQQXFYNAR-INIZCTEOSA-N 0 1 349.272 3.547 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCc2c1cccc2O ZINC000858130257 1136942306 /nfs/dbraw/zinc/94/23/06/1136942306.db2.gz FCRYLBBHHQZRBW-AWEZNQCLSA-N 0 1 334.213 3.637 20 10 EHCDMN COC[C@H](NCc1c(O)cccc1Br)c1ccccc1 ZINC000858136655 1136942784 /nfs/dbraw/zinc/94/27/84/1136942784.db2.gz XFCDKNPPILIYBA-HNNXBMFYSA-N 0 1 336.229 3.632 20 10 EHCDMN COC[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000858136655 1136942785 /nfs/dbraw/zinc/94/27/85/1136942785.db2.gz XFCDKNPPILIYBA-HNNXBMFYSA-N 0 1 336.229 3.632 20 10 EHCDMN Cc1csc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000858355237 1136961250 /nfs/dbraw/zinc/96/12/50/1136961250.db2.gz XXSIPUFSPFCWRE-OAHLLOKOSA-N 0 1 345.512 3.511 20 10 EHCDMN CCN(Cc1c(C2CCC2)cnn1C)Cc1ccc(N(C)C)cc1 ZINC000824484678 1137139681 /nfs/dbraw/zinc/13/96/81/1137139681.db2.gz QHVPIIGGPQNEBO-UHFFFAOYSA-N 0 1 326.488 3.776 20 10 EHCDMN CN(Cc1c(O)cccc1Cl)[C@H](CO)c1ccc(Cl)cc1 ZINC000824691151 1137148384 /nfs/dbraw/zinc/14/83/84/1137148384.db2.gz VKPFKWIWCJLBAJ-OAHLLOKOSA-N 0 1 326.223 3.864 20 10 EHCDMN C[C@@H](C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-])NC(=O)OC(C)(C)C ZINC000862540947 1137149053 /nfs/dbraw/zinc/14/90/53/1137149053.db2.gz KTFWKEOLFKHASF-JTQLQIEISA-N 0 1 346.830 3.530 20 10 EHCDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H]1n1cccn1 ZINC000825117540 1137166050 /nfs/dbraw/zinc/16/60/50/1137166050.db2.gz GQFGVRLCYCZJTF-USXIJHARSA-N 0 1 349.862 3.529 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215793 1137169220 /nfs/dbraw/zinc/16/92/20/1137169220.db2.gz WIWGFSZPFFDNQZ-OAHLLOKOSA-N 0 1 342.302 3.874 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215793 1137169221 /nfs/dbraw/zinc/16/92/21/1137169221.db2.gz WIWGFSZPFFDNQZ-OAHLLOKOSA-N 0 1 342.302 3.874 20 10 EHCDMN CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825406271 1137177087 /nfs/dbraw/zinc/17/70/87/1137177087.db2.gz QILBJUKUVLUQBQ-NSHDSACASA-N 0 1 335.245 3.963 20 10 EHCDMN C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1C(=O)[O-] ZINC000863740608 1137201890 /nfs/dbraw/zinc/20/18/90/1137201890.db2.gz YOHFIAGCYLKZRH-KDOFPFPSSA-N 0 1 325.408 3.602 20 10 EHCDMN COc1ccc(N(C)CCN(C)Cc2nc3cc(F)ccc3o2)cc1 ZINC000844402466 1137217472 /nfs/dbraw/zinc/21/74/72/1137217472.db2.gz YLWMSGMJMLCXCY-UHFFFAOYSA-N 0 1 343.402 3.544 20 10 EHCDMN C[C@H](O)[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846012603 1137325756 /nfs/dbraw/zinc/32/57/56/1137325756.db2.gz GABNXVVHXHZKDE-DYELUZBYSA-N 0 1 328.431 3.617 20 10 EHCDMN CC[C@@H]([NH2+]CCC1(CO)CCC1)c1cc(Br)ccc1[O-] ZINC000846211706 1137343759 /nfs/dbraw/zinc/34/37/59/1137343759.db2.gz YNJXGHPWROBQKW-CQSZACIVSA-N 0 1 342.277 3.748 20 10 EHCDMN Cc1cc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846275166 1137344766 /nfs/dbraw/zinc/34/47/66/1137344766.db2.gz QRWSIPPVATXERA-IBGZPJMESA-N 0 1 332.488 3.916 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc2ccccc2c1[O-] ZINC000866533924 1137362292 /nfs/dbraw/zinc/36/22/92/1137362292.db2.gz XPWSGTKSPUWHHH-WBVHZDCISA-N 0 1 341.451 3.782 20 10 EHCDMN CC[C@H](NCc1ncc(Br)s1)c1ccccc1O ZINC000714931701 1137474301 /nfs/dbraw/zinc/47/43/01/1137474301.db2.gz RXBRBGKPFXRHMO-JTQLQIEISA-N 0 1 327.247 3.852 20 10 EHCDMN C[C@@H](N[C@H](C)c1cccc(O)c1F)c1ccc(N2CCOCC2)cc1 ZINC000872026098 1137565918 /nfs/dbraw/zinc/56/59/18/1137565918.db2.gz ARJLOQQSNIOOCD-HUUCEWRRSA-N 0 1 344.430 3.780 20 10 EHCDMN OC1CCN(c2ccc(CNC3(c4ccccc4F)CC3)cc2)CC1 ZINC000877050714 1137668751 /nfs/dbraw/zinc/66/87/51/1137668751.db2.gz NXOZOEPBVCOXMI-UHFFFAOYSA-N 0 1 340.442 3.566 20 10 EHCDMN Cc1ncc([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000877685090 1137685918 /nfs/dbraw/zinc/68/59/18/1137685918.db2.gz LGWZZJYRGNRJKS-QMMMGPOBSA-N 0 1 327.247 3.770 20 10 EHCDMN CC(C)(C[NH2+]Cc1ccc(Br)cc1[O-])C1(O)CCCC1 ZINC000826099877 1137740759 /nfs/dbraw/zinc/74/07/59/1137740759.db2.gz IPXHBJBAWGPDQG-UHFFFAOYSA-N 0 1 342.277 3.576 20 10 EHCDMN COCCc1ccc(OC[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000826139481 1137763689 /nfs/dbraw/zinc/76/36/89/1137763689.db2.gz CZGFAIZVMCYZHA-AWEZNQCLSA-N 0 1 349.858 3.792 20 10 EHCDMN CSc1ccc(CNCc2ccc(N3CCSCC3)cc2)o1 ZINC000882901232 1137837209 /nfs/dbraw/zinc/83/72/09/1137837209.db2.gz CHNNZJLVVJKSKZ-UHFFFAOYSA-N 0 1 334.510 3.845 20 10 EHCDMN C[C@@H]1CCCN(c2ccc(CNCc3ccncc3N)cc2Cl)C1 ZINC000883112102 1137845068 /nfs/dbraw/zinc/84/50/68/1137845068.db2.gz ZWXYTHGJBIQLPI-CQSZACIVSA-N 0 1 344.890 3.843 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(Cl)cc1[O-] ZINC000883263685 1137851426 /nfs/dbraw/zinc/85/14/26/1137851426.db2.gz CMJPHORJEXKYAK-HIFRSBDPSA-N 0 1 339.863 3.672 20 10 EHCDMN [O-]c1cccc(Br)c1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000717126065 1137882258 /nfs/dbraw/zinc/88/22/58/1137882258.db2.gz YWXAQYKRLZWYLK-LBPRGKRZSA-N 0 1 340.261 3.736 20 10 EHCDMN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1cc(Cl)ccc1[O-] ZINC000886771266 1138137302 /nfs/dbraw/zinc/13/73/02/1138137302.db2.gz FMKLEFIKCHWQHH-FRTWLMODSA-N 0 1 339.863 3.669 20 10 EHCDMN CCN(CC(=O)Nc1c(C)cccc1C)Cc1cc(C)ccc1O ZINC000093660498 1138239162 /nfs/dbraw/zinc/23/91/62/1138239162.db2.gz IEPQNKGJSWFBSL-UHFFFAOYSA-N 0 1 326.440 3.778 20 10 EHCDMN COC[C@@H](NCc1cc(Br)ccc1O)c1ccc(C)o1 ZINC000177569916 1139627109 /nfs/dbraw/zinc/62/71/09/1139627109.db2.gz NWKXNCQYWGCEKO-CYBMUJFWSA-N 0 1 340.217 3.533 20 10 EHCDMN C[C@@H](c1ccccc1)N(CC(=O)N(C)C1CC1)Cc1ccccc1O ZINC000179642718 1139771690 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EHCDMN Oc1ccc(Br)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000271210683 1141326001 /nfs/dbraw/zinc/32/60/01/1141326001.db2.gz YFOICWOSFSGLDB-UHFFFAOYSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000271210683 1141326008 /nfs/dbraw/zinc/32/60/08/1141326008.db2.gz YFOICWOSFSGLDB-UHFFFAOYSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000271210683 1141326014 /nfs/dbraw/zinc/32/60/14/1141326014.db2.gz YFOICWOSFSGLDB-UHFFFAOYSA-N 0 1 340.261 3.547 20 10 EHCDMN Cc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccc1N1CCCCC1 ZINC000846290130 955707788 /nfs/dbraw/zinc/70/77/88/955707788.db2.gz FUGRHFUVINTSRE-RBUKOAKNSA-N 0 1 342.483 3.528 20 10 EHCDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1cc(Cl)cc(OC)c1O)CC1CC1 ZINC001594787631 981824817 /nfs/dbraw/zinc/82/48/17/981824817.db2.gz JNCMINGLTMTZJH-KRWDZBQOSA-N 0 1 341.835 3.520 20 10 EHCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cn1 ZINC000274966289 1015690963 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EHCDMN COCCN(Cc1scnc1C)Cc1cc(Cl)cc(C)c1O ZINC000787310203 1133994560 /nfs/dbraw/zinc/99/45/60/1133994560.db2.gz NFAGOYYYGWDWPB-UHFFFAOYSA-N 0 1 340.876 3.768 20 10 EHCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000774841265 1134049443 /nfs/dbraw/zinc/04/94/43/1134049443.db2.gz SZAQOELCZCJMLQ-CFVMTHIKSA-N 0 1 334.416 3.710 20 10 EHCDMN CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774883640 1134090061 /nfs/dbraw/zinc/09/00/61/1134090061.db2.gz HNNLGUGPQDNKQJ-INIZCTEOSA-N 0 1 342.395 3.818 20 10 EHCDMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774883640 1134090068 /nfs/dbraw/zinc/09/00/68/1134090068.db2.gz HNNLGUGPQDNKQJ-INIZCTEOSA-N 0 1 342.395 3.818 20 10 EHCDMN COc1c([O-])c(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000774884316 1134092245 /nfs/dbraw/zinc/09/22/45/1134092245.db2.gz KJVCCHPSFONVGR-CJNGLKHVSA-N 0 1 342.395 3.687 20 10 EHCDMN CCOc1cccc(CN2CCN(c3ccccc3F)C[C@@H]2C)c1O ZINC000789590056 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COc1c([O-])c(C[N@@H+](C)Cc2ccccc2SC)ccc1[N+](=O)[O-] ZINC000793232219 1134880005 /nfs/dbraw/zinc/88/00/05/1134880005.db2.gz KMTOFISCECDKAV-UHFFFAOYSA-N 0 1 348.424 3.663 20 10 EHCDMN CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1[O-] ZINC000775491275 1134936654 /nfs/dbraw/zinc/93/66/54/1134936654.db2.gz HIHUELBZKPVBGZ-GOEBONIOSA-N 0 1 346.862 3.545 20 10 EHCDMN COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000793608565 1134970720 /nfs/dbraw/zinc/97/07/20/1134970720.db2.gz HWTICBXBJWEGEV-DZGCQCFKSA-N 0 1 347.842 3.556 20 10 EHCDMN COc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193864694 1135198471 /nfs/dbraw/zinc/19/84/71/1135198471.db2.gz RZIMLILNUYPMLV-UHFFFAOYSA-N 0 1 343.404 3.663 20 10 EHCDMN Cc1nccc(NCc2cc(Br)ccc2O)c1Cl ZINC000804827016 1135205395 /nfs/dbraw/zinc/20/53/95/1135205395.db2.gz JICHRZOEKZVGQZ-UHFFFAOYSA-N 0 1 327.609 3.546 20 10 EHCDMN C[N@@H+](CCOc1ccccc1F)Cc1cc(Cl)cc(F)c1[O-] ZINC000775647001 1135389967 /nfs/dbraw/zinc/38/99/67/1135389967.db2.gz 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/nfs/dbraw/zinc/61/63/32/1135616332.db2.gz GMQKJBDJNRMVGF-UHFFFAOYSA-N 0 1 335.194 3.837 20 10 EHCDMN CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000809720592 1135878442 /nfs/dbraw/zinc/87/84/42/1135878442.db2.gz JDVIFDRCIJBHGB-AWEZNQCLSA-N 0 1 340.851 3.535 20 10 EHCDMN [O-]c1c(Br)cccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000809764214 1135888444 /nfs/dbraw/zinc/88/84/44/1135888444.db2.gz UQFGNRAKTCURIG-UHFFFAOYSA-N 0 1 333.229 3.714 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC001199265537 1135891162 /nfs/dbraw/zinc/89/11/62/1135891162.db2.gz BECFKVXKRMNGRA-UHFFFAOYSA-N 0 1 327.815 3.830 20 10 EHCDMN CN(C)c1ccccc1C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000809788648 1135891805 /nfs/dbraw/zinc/89/18/05/1135891805.db2.gz UIODQMQXHOWPKX-UHFFFAOYSA-N 0 1 349.272 3.853 20 10 EHCDMN Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000810177722 1135934485 /nfs/dbraw/zinc/93/44/85/1135934485.db2.gz DAZTYGQDVBNMFL-HNNXBMFYSA-N 0 1 348.240 3.556 20 10 EHCDMN CC[C@H]([NH2+]CCCc1nc(C)no1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225046 1135940705 /nfs/dbraw/zinc/94/07/05/1135940705.db2.gz RFFLIIQKLKPIAM-ZDUSSCGKSA-N 0 1 343.349 3.776 20 10 EHCDMN CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236954 1135946331 /nfs/dbraw/zinc/94/63/31/1135946331.db2.gz CEVFYZVJIBUMAI-ZLOXQWCVSA-N 0 1 349.418 3.753 20 10 EHCDMN CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239229 1135946696 /nfs/dbraw/zinc/94/66/96/1135946696.db2.gz YAMJYBJODFLOJG-DZKIICNBSA-N 0 1 347.377 3.646 20 10 EHCDMN Cc1cnn(-c2ccncc2NCc2cc(Cl)cc(C)c2O)c1 ZINC000776252926 1136101449 /nfs/dbraw/zinc/10/14/49/1136101449.db2.gz GMYUZZZNWKUIBS-UHFFFAOYSA-N 0 1 328.803 3.855 20 10 EHCDMN Oc1c(F)cc(Cl)cc1CN1CC(O)(c2ccc(Cl)cc2)C1 ZINC000811509661 1136102539 /nfs/dbraw/zinc/10/25/39/1136102539.db2.gz ZJXDPCAXSRQZJX-UHFFFAOYSA-N 0 1 342.197 3.542 20 10 EHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512587 1136103688 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Cc1cc(Br)cc([C@H](C)N[C@H](C)c2nccn2C)c1O ZINC000850572727 1136289441 /nfs/dbraw/zinc/28/94/41/1136289441.db2.gz OORPLGCWAIYOFD-WDEREUQCSA-N 0 1 338.249 3.608 20 10 EHCDMN CCCc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)co1 ZINC000813682353 1136356339 /nfs/dbraw/zinc/35/63/39/1136356339.db2.gz CJLMMMBJMLIIFT-UHFFFAOYSA-N 0 1 329.183 3.570 20 10 EHCDMN C[C@H](NC(=O)[C@H](C)N(C)Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000111236036 1136524698 /nfs/dbraw/zinc/52/46/98/1136524698.db2.gz GMXQBOJXPPHOOV-KBPBESRZSA-N 0 1 346.858 3.743 20 10 EHCDMN COc1ccc(N2CCN(Cc3ccc(C(C)C)nc3C)CC2)cc1 ZINC000815009383 1136537055 /nfs/dbraw/zinc/53/70/55/1136537055.db2.gz IJPZLKNAOKXDOD-UHFFFAOYSA-N 0 1 339.483 3.844 20 10 EHCDMN COc1ccc(N2CCC([NH2+]Cc3cccc([O-])c3Cl)CC2)cc1 ZINC000815121359 1136552631 /nfs/dbraw/zinc/55/26/31/1136552631.db2.gz LIWASTUBYFYWLM-UHFFFAOYSA-N 0 1 346.858 3.813 20 10 EHCDMN Cc1cc(Br)c(O)c(CNc2cc3c(cn2)CCC3)c1 ZINC000815158841 1136558602 /nfs/dbraw/zinc/55/86/02/1136558602.db2.gz BRGBPTLRUGGMFL-UHFFFAOYSA-N 0 1 333.229 3.959 20 10 EHCDMN CCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H](C)CO ZINC000815181533 1136563273 /nfs/dbraw/zinc/56/32/73/1136563273.db2.gz WIFBDSFWLIHCIK-HNNXBMFYSA-N 0 1 340.427 3.743 20 10 EHCDMN CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000815633117 1136621970 /nfs/dbraw/zinc/62/19/70/1136621970.db2.gz GQIIXODKBKMZRJ-LSDHHAIUSA-N 0 1 328.456 3.748 20 10 EHCDMN CCC[C@H](C)C(=O)NCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000815633234 1136621997 /nfs/dbraw/zinc/62/19/97/1136621997.db2.gz JGCPUOKQPCLWNV-WFASDCNBSA-N 0 1 326.868 3.639 20 10 EHCDMN CC[C@H]([NH2+]CCc1nccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000815651042 1136626308 /nfs/dbraw/zinc/62/63/08/1136626308.db2.gz IHCOOPUQOXTKDQ-AWEZNQCLSA-N 0 1 339.361 3.793 20 10 EHCDMN C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816509350 1136728716 /nfs/dbraw/zinc/72/87/16/1136728716.db2.gz NKVMAIDOMUWOAV-CQSZACIVSA-N 0 1 344.455 3.890 20 10 EHCDMN C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816509350 1136728718 /nfs/dbraw/zinc/72/87/18/1136728718.db2.gz NKVMAIDOMUWOAV-CQSZACIVSA-N 0 1 344.455 3.890 20 10 EHCDMN [O-]c1c(C[NH2+]C[C@@H](O)c2c(F)cccc2F)ccc2ccccc12 ZINC000816552697 1136736186 /nfs/dbraw/zinc/73/61/86/1136736186.db2.gz SXZSPJPGEYMZBU-QGZVFWFLSA-N 0 1 329.346 3.647 20 10 EHCDMN [O-]c1c(C[NH2+]Cc2cccc(N3CCOCC3)c2)ccc2ccccc21 ZINC000816628879 1136739473 /nfs/dbraw/zinc/73/94/73/1136739473.db2.gz NVVWIXYSLYVEBG-UHFFFAOYSA-N 0 1 348.446 3.672 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000816611003 1136740893 /nfs/dbraw/zinc/74/08/93/1136740893.db2.gz FOPDABNAHSBGJK-CHWSQXEVSA-N 0 1 327.827 3.823 20 10 EHCDMN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000816682405 1136748604 /nfs/dbraw/zinc/74/86/04/1136748604.db2.gz XCOUKAWLUKJYIY-WCQYABFASA-N 0 1 332.227 3.520 20 10 EHCDMN C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000817954925 1136851200 /nfs/dbraw/zinc/85/12/00/1136851200.db2.gz MYIRTHWMUHJKKV-XHDPSFHLSA-N 0 1 335.245 3.505 20 10 EHCDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc(Br)cc(Cl)c1[O-] ZINC000818616121 1136886253 /nfs/dbraw/zinc/88/62/53/1136886253.db2.gz TVPSQQRYNXNGKF-ZEGGKSINSA-N 0 1 347.684 3.729 20 10 EHCDMN Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc4ccccc4c3[O-])C2)nc1 ZINC000858012770 1136930963 /nfs/dbraw/zinc/93/09/63/1136930963.db2.gz LQDFMWJFECLTAU-SFHVURJKSA-N 0 1 334.419 3.902 20 10 EHCDMN Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)nc1 ZINC000858012770 1136930965 /nfs/dbraw/zinc/93/09/65/1136930965.db2.gz LQDFMWJFECLTAU-SFHVURJKSA-N 0 1 334.419 3.902 20 10 EHCDMN COCC[C@@H](NCc1c(O)cccc1Br)c1ccco1 ZINC000858157857 1136945350 /nfs/dbraw/zinc/94/53/50/1136945350.db2.gz RQZBHTYFDRVOKJ-CYBMUJFWSA-N 0 1 340.217 3.615 20 10 EHCDMN Cc1nsc(C)c1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821390362 1137025030 /nfs/dbraw/zinc/02/50/30/1137025030.db2.gz AHQIEKQUNZTZLI-MRXNPFEDSA-N 0 1 332.469 3.647 20 10 EHCDMN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cc(-c2ccccc2)ccc1O ZINC000777219182 1137119968 /nfs/dbraw/zinc/11/99/68/1137119968.db2.gz HUKPVAUTCFSFAC-OAHLLOKOSA-N 0 1 340.467 3.794 20 10 EHCDMN Oc1cccc(Br)c1CN1CCC[C@@H]1c1ccccn1 ZINC000862221956 1137133101 /nfs/dbraw/zinc/13/31/01/1137133101.db2.gz LAAUINZZGRVHLR-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000862221956 1137133102 /nfs/dbraw/zinc/13/31/02/1137133102.db2.gz LAAUINZZGRVHLR-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000862221956 1137133103 /nfs/dbraw/zinc/13/31/03/1137133103.db2.gz LAAUINZZGRVHLR-OAHLLOKOSA-N 0 1 333.229 3.887 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000862247224 1137134850 /nfs/dbraw/zinc/13/48/50/1137134850.db2.gz XYVIJLGGLYMKJY-UHFFFAOYSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000862247224 1137134852 /nfs/dbraw/zinc/13/48/52/1137134852.db2.gz XYVIJLGGLYMKJY-UHFFFAOYSA-N 0 1 340.261 3.547 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000862293573 1137137348 /nfs/dbraw/zinc/13/73/48/1137137348.db2.gz YJIPMSPBDPLQFU-HNNXBMFYSA-N 0 1 340.261 3.546 20 10 EHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000862293573 1137137350 /nfs/dbraw/zinc/13/73/50/1137137350.db2.gz YJIPMSPBDPLQFU-HNNXBMFYSA-N 0 1 340.261 3.546 20 10 EHCDMN CN(C)c1cc(F)c(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1F ZINC000862403595 1137143041 /nfs/dbraw/zinc/14/30/41/1137143041.db2.gz SWKNMDOHNSDMDY-UHFFFAOYSA-N 0 1 326.774 3.680 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824695772 1137148924 /nfs/dbraw/zinc/14/89/24/1137148924.db2.gz CMKOYSFRCFEWPG-MAZHCROVSA-N 0 1 327.827 3.700 20 10 EHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824750270 1137151955 /nfs/dbraw/zinc/15/19/55/1137151955.db2.gz GRUUIGXOJQTSKW-GFCCVEGCSA-N 0 1 340.261 3.594 20 10 EHCDMN C[C@@H]1C[C@@H](NCc2ccc(OCc3ccccc3)cc2O)c2nccn21 ZINC000825016908 1137161953 /nfs/dbraw/zinc/16/19/53/1137161953.db2.gz IWYCDXXFSSWIGZ-DNVCBOLYSA-N 0 1 349.434 3.963 20 10 EHCDMN Cc1nc(CC[NH2+]Cc2ccc(Br)cc2[O-])sc1C ZINC000825359353 1137174679 /nfs/dbraw/zinc/17/46/79/1137174679.db2.gz ZCRHWPFEEXNALN-UHFFFAOYSA-N 0 1 341.274 3.560 20 10 EHCDMN COCC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccco1 ZINC000825475884 1137179028 /nfs/dbraw/zinc/17/90/28/1137179028.db2.gz XHKVTVJDDRNMMO-CYBMUJFWSA-N 0 1 340.217 3.615 20 10 EHCDMN C[C@]1(O)CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000794672329 1137222944 /nfs/dbraw/zinc/22/29/44/1137222944.db2.gz LPTDPWSFYDZFRB-FQEVSTJZSA-N 0 1 329.440 3.754 20 10 EHCDMN C[C@]1(O)CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000794672329 1137222946 /nfs/dbraw/zinc/22/29/46/1137222946.db2.gz LPTDPWSFYDZFRB-FQEVSTJZSA-N 0 1 329.440 3.754 20 10 EHCDMN CCN(CC)c1ccc(CNCc2cc(OC)c(OC)cc2F)cc1 ZINC000845926427 1137320687 /nfs/dbraw/zinc/32/06/87/1137320687.db2.gz ZPYLFHGDQNGLDC-UHFFFAOYSA-N 0 1 346.446 3.979 20 10 EHCDMN Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000846056732 1137327152 /nfs/dbraw/zinc/32/71/52/1137327152.db2.gz YNBABLGGRXHEDB-ZDUSSCGKSA-N 0 1 332.831 3.861 20 10 EHCDMN C[C@@H]1C[C@H](NCc2nn(C)cc2C(F)F)c2c1c(F)ccc2O ZINC000866564787 1137365017 /nfs/dbraw/zinc/36/50/17/1137365017.db2.gz BQHBGNQPQISGNC-KCJUWKMLSA-N 0 1 325.334 3.541 20 10 EHCDMN CC[C@H](C)OCC[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001172327029 1137547633 /nfs/dbraw/zinc/54/76/33/1137547633.db2.gz CHJHGXWEHOZFTQ-RYUDHWBXSA-N 0 1 330.266 3.838 20 10 EHCDMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(Br)cc1O ZINC000825738589 1137613895 /nfs/dbraw/zinc/61/38/95/1137613895.db2.gz PVKFOXVJDPCBGP-KCJUWKMLSA-N 0 1 338.167 3.927 20 10 EHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825738589 1137613893 /nfs/dbraw/zinc/61/38/93/1137613893.db2.gz PVKFOXVJDPCBGP-KCJUWKMLSA-N 0 1 338.167 3.927 20 10 EHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825738589 1137613894 /nfs/dbraw/zinc/61/38/94/1137613894.db2.gz PVKFOXVJDPCBGP-KCJUWKMLSA-N 0 1 338.167 3.927 20 10 EHCDMN Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1Cl ZINC000825752447 1137624847 /nfs/dbraw/zinc/62/48/47/1137624847.db2.gz AWLOQQVQACJIEM-DEYYWGMASA-N 0 1 339.863 3.512 20 10 EHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1Cl ZINC000825843171 1137642308 /nfs/dbraw/zinc/64/23/08/1137642308.db2.gz OWYRLXJGZWSIKK-UHFFFAOYSA-N 0 1 328.746 3.640 20 10 EHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc(F)c1F ZINC000876804204 1137661960 /nfs/dbraw/zinc/66/19/60/1137661960.db2.gz NWXVFMWTHZFQHJ-OCCSQVGLSA-N 0 1 339.407 3.820 20 10 EHCDMN O=C1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3[O-])C2)Oc2ccccc21 ZINC000877589211 1137682283 /nfs/dbraw/zinc/68/22/83/1137682283.db2.gz JIGGDCOOTOOOTH-LJQANCHMSA-N 0 1 343.810 3.656 20 10 EHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877673764 1137685400 /nfs/dbraw/zinc/68/54/00/1137685400.db2.gz RECFUFAJWAVDNX-WMLDXEAASA-N 0 1 335.806 3.883 20 10 EHCDMN CC(=O)c1cc(F)cc(CN2CCC(Cc3nccs3)CC2)c1O ZINC000879205767 1137741154 /nfs/dbraw/zinc/74/11/54/1137741154.db2.gz SJNJVEJYLZYFEE-UHFFFAOYSA-N 0 1 348.443 3.645 20 10 EHCDMN C[C@H]1CCCN(c2ccc(CNCc3ccncc3N)cc2Cl)C1 ZINC000883112101 1137845055 /nfs/dbraw/zinc/84/50/55/1137845055.db2.gz ZWXYTHGJBIQLPI-AWEZNQCLSA-N 0 1 344.890 3.843 20 10 EHCDMN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc2ccccc2c1[O-] ZINC000883276462 1137851988 /nfs/dbraw/zinc/85/19/88/1137851988.db2.gz LHEHWCRVGQCCLQ-ZBFHGGJFSA-N 0 1 325.408 3.640 20 10 EHCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1nc2ccccc2n1C ZINC000091313325 1138218657 /nfs/dbraw/zinc/21/86/57/1138218657.db2.gz YADUNSHBIPGZSJ-OAHLLOKOSA-N 0 1 334.467 3.807 20 10 EHCDMN Cc1cnc(CC[N@@H+](C)Cc2cc(Br)ccc2[O-])s1 ZINC000093773433 1138241065 /nfs/dbraw/zinc/24/10/65/1138241065.db2.gz UWFRONLEBNPJIM-UHFFFAOYSA-N 0 1 341.274 3.594 20 10 EHCDMN Cc1cnc(CC[N@H+](C)Cc2cc(Br)ccc2[O-])s1 ZINC000093773433 1138241067 /nfs/dbraw/zinc/24/10/67/1138241067.db2.gz UWFRONLEBNPJIM-UHFFFAOYSA-N 0 1 341.274 3.594 20 10 EHCDMN COCCOc1cc(C)ccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000153460641 1139137702 /nfs/dbraw/zinc/13/77/02/1139137702.db2.gz SUKLFYZZPXBLPZ-UHFFFAOYSA-N 0 1 335.831 3.669 20 10 EHCDMN Cc1ncsc1CN(C)Cc1cc(Br)ccc1O ZINC000179425229 1139756004 /nfs/dbraw/zinc/75/60/04/1139756004.db2.gz BZIFPSUUNWQLRZ-UHFFFAOYSA-N 0 1 327.247 3.552 20 10 EHCDMN C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000184855487 1140122761 /nfs/dbraw/zinc/12/27/61/1140122761.db2.gz CSBUVUONEKROMD-ZBEGNZNMSA-N 0 1 336.229 3.539 20 10 EHCDMN Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185136463 1140137822 /nfs/dbraw/zinc/13/78/22/1140137822.db2.gz XVXTZDAXLWRESW-QMMMGPOBSA-N 0 1 325.206 3.610 20 10 EHCDMN C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(Br)cc1[O-] ZINC000185534982 1140154195 /nfs/dbraw/zinc/15/41/95/1140154195.db2.gz SQGPVGKSBQHROI-JYBASQMISA-N 0 1 340.261 3.619 20 10 EHCDMN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cc(Br)ccc1[O-] ZINC000185534148 1140154261 /nfs/dbraw/zinc/15/42/61/1140154261.db2.gz RLUYLMUXDOAGKA-NDMCHQMPSA-N 0 1 340.261 3.619 20 10 EHCDMN C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Br)ccc1[O-] ZINC000185771685 1140168691 /nfs/dbraw/zinc/16/86/91/1140168691.db2.gz QODYQPKYJQLVPI-MWKWWEEBSA-N 0 1 340.261 3.763 20 10 EHCDMN C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(Cl)ccc1[O-] ZINC000186352681 1140199475 /nfs/dbraw/zinc/19/94/75/1140199475.db2.gz KHNSVMXFVFYTET-ISWZSGDOSA-N 0 1 346.858 3.922 20 10 EHCDMN CCc1nc([C@H](C)N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)n[nH]1 ZINC000271543417 1141393428 /nfs/dbraw/zinc/39/34/28/1141393428.db2.gz RDANAQPIIGXKDR-KGLIPLIRSA-N 0 1 345.466 3.908 20 10 EHCDMN CC[C@@H]([NH2+]CCN(CC)CC)c1cc(Br)ccc1[O-] ZINC000019919471 212083453 /nfs/dbraw/zinc/08/34/53/212083453.db2.gz BKMLVSHXDYZXQN-CQSZACIVSA-N 0 1 329.282 3.537 20 10 EHCDMN C/C(=C/C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000833382234 605076829 /nfs/dbraw/zinc/07/68/29/605076829.db2.gz IANFDQJBKANCNS-IRVMHKCDSA-N 0 1 325.408 3.986 20 10 EHCDMN