smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cnn1C(C)(C)C ZINC000173841398 231049242 /nfs/dbraw/zinc/04/92/42/231049242.db2.gz XCZQURXQNNPWCG-BBRMVZONSA-N 1 2 334.464 1.739 10 0 EDAELO O=C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000173983346 231089638 /nfs/dbraw/zinc/08/96/38/231089638.db2.gz YKTOEKHVTOAIHB-CYBMUJFWSA-N 1 2 341.814 1.824 10 0 EDAELO O=C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000173983346 231089641 /nfs/dbraw/zinc/08/96/41/231089641.db2.gz YKTOEKHVTOAIHB-CYBMUJFWSA-N 1 2 341.814 1.824 10 0 EDAELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000173983346 231089644 /nfs/dbraw/zinc/08/96/44/231089644.db2.gz YKTOEKHVTOAIHB-CYBMUJFWSA-N 1 2 341.814 1.824 10 0 EDAELO CO[C@H]1CC[N@H+](Cc2nc(C(=O)NCCc3c(C)noc3C)co2)C1 ZINC000685943892 539584214 /nfs/dbraw/zinc/58/42/14/539584214.db2.gz IDDQSHMEAIOQIX-ZDUSSCGKSA-N 1 2 348.403 1.473 10 0 EDAELO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NCCc3c(C)noc3C)co2)C1 ZINC000685943892 539584217 /nfs/dbraw/zinc/58/42/17/539584217.db2.gz IDDQSHMEAIOQIX-ZDUSSCGKSA-N 1 2 348.403 1.473 10 0 EDAELO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000248477787 539688025 /nfs/dbraw/zinc/68/80/25/539688025.db2.gz PCCBFOAVYKKQJW-JYJNAYRXSA-N 1 2 327.469 1.600 10 0 EDAELO CC[NH2+][C@](C)(C[C@H](C)SCCS(C)(=O)=O)C(=O)OCC ZINC000068643652 215325042 /nfs/dbraw/zinc/32/50/42/215325042.db2.gz QMHVGZSCEJZYSC-WCQYABFASA-N 1 2 325.496 1.474 10 0 EDAELO CCCCCc1nnc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000105283298 535145611 /nfs/dbraw/zinc/14/56/11/535145611.db2.gz RRLKKXMALBEKGO-LLVKDONJSA-N 1 2 327.454 1.723 10 0 EDAELO CCCCCc1nnc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000105283298 535145620 /nfs/dbraw/zinc/14/56/20/535145620.db2.gz RRLKKXMALBEKGO-LLVKDONJSA-N 1 2 327.454 1.723 10 0 EDAELO CC(C)(C)n1cc(CN2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)cn1 ZINC000158239883 539992658 /nfs/dbraw/zinc/99/26/58/539992658.db2.gz RETLVOZUEFSYID-CYBMUJFWSA-N 1 2 334.386 1.679 10 0 EDAELO O=C1NCC[NH2+][C@@H]1Cc1nc(-c2ccc(Br)cc2)no1 ZINC000071261894 202343781 /nfs/dbraw/zinc/34/37/81/202343781.db2.gz YTDZPAPUKYCMGF-SNVBAGLBSA-N 1 2 337.177 1.130 10 0 EDAELO O=C1NCC[NH2+][C@@H]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000071302858 202346011 /nfs/dbraw/zinc/34/60/11/202346011.db2.gz WOKPQSPKWJYKJI-SSDOTTSWSA-N 1 2 343.206 1.191 10 0 EDAELO CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000114861925 201071515 /nfs/dbraw/zinc/07/15/15/201071515.db2.gz IDQYRGSTRRRASJ-CYBMUJFWSA-N 1 2 337.387 1.166 10 0 EDAELO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000104787689 204120680 /nfs/dbraw/zinc/12/06/80/204120680.db2.gz AQIAAHHGEZNAGU-HNNXBMFYSA-N 1 2 335.452 1.058 10 0 EDAELO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000104787689 204120683 /nfs/dbraw/zinc/12/06/83/204120683.db2.gz AQIAAHHGEZNAGU-HNNXBMFYSA-N 1 2 335.452 1.058 10 0 EDAELO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806730 204162069 /nfs/dbraw/zinc/16/20/69/204162069.db2.gz QGNGTTPZSGBSKJ-CYBMUJFWSA-N 1 2 341.419 1.194 10 0 EDAELO CCCNC(=O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874476 204174678 /nfs/dbraw/zinc/17/46/78/204174678.db2.gz AJDUJCWJTDIRBB-AWEZNQCLSA-N 1 2 325.478 1.579 10 0 EDAELO CCCNC(=O)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874476 204174682 /nfs/dbraw/zinc/17/46/82/204174682.db2.gz AJDUJCWJTDIRBB-AWEZNQCLSA-N 1 2 325.478 1.579 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000125644083 205018027 /nfs/dbraw/zinc/01/80/27/205018027.db2.gz XJJGDKRHCDMQSA-WBVHZDCISA-N 1 2 335.423 1.730 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000125644083 205018030 /nfs/dbraw/zinc/01/80/30/205018030.db2.gz XJJGDKRHCDMQSA-WBVHZDCISA-N 1 2 335.423 1.730 10 0 EDAELO Cc1ccc(N2CCCC2)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000128029575 205129182 /nfs/dbraw/zinc/12/91/82/205129182.db2.gz MBLGSKRTSNQMSZ-MRXNPFEDSA-N 1 2 347.459 1.018 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000130287894 205232792 /nfs/dbraw/zinc/23/27/92/205232792.db2.gz HZRBKSCADXZVOO-GFCCVEGCSA-N 1 2 326.343 1.375 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000130287894 205232795 /nfs/dbraw/zinc/23/27/95/205232795.db2.gz HZRBKSCADXZVOO-GFCCVEGCSA-N 1 2 326.343 1.375 10 0 EDAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc2ccc(Cl)cc2n1 ZINC000132345237 205321893 /nfs/dbraw/zinc/32/18/93/205321893.db2.gz VCGYQLPULDPDIP-CQSZACIVSA-N 1 2 349.818 1.311 10 0 EDAELO CC(=O)Nc1nc2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2s1 ZINC000081000115 217348657 /nfs/dbraw/zinc/34/86/57/217348657.db2.gz ILRCRFUTLBTSIM-LBPRGKRZSA-N 1 2 334.401 1.524 10 0 EDAELO CC(=O)Nc1nc2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2s1 ZINC000081000115 217348660 /nfs/dbraw/zinc/34/86/60/217348660.db2.gz ILRCRFUTLBTSIM-LBPRGKRZSA-N 1 2 334.401 1.524 10 0 EDAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000245201360 139071156 /nfs/dbraw/zinc/07/11/56/139071156.db2.gz QBPZGMCFSOEPFS-KGLIPLIRSA-N 1 2 340.468 1.237 10 0 EDAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000245201360 139071157 /nfs/dbraw/zinc/07/11/57/139071157.db2.gz QBPZGMCFSOEPFS-KGLIPLIRSA-N 1 2 340.468 1.237 10 0 EDAELO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000246279000 139102159 /nfs/dbraw/zinc/10/21/59/139102159.db2.gz AEPBTHZSIDZHPJ-XJKSGUPXSA-N 1 2 337.851 1.931 10 0 EDAELO C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000246436315 139108421 /nfs/dbraw/zinc/10/84/21/139108421.db2.gz HIYNWOLBLIZQKE-XJKSGUPXSA-N 1 2 342.436 1.308 10 0 EDAELO C[C@@H]1CN([C@H]2CCN(c3ccccc3F)C2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000246581568 139113806 /nfs/dbraw/zinc/11/38/06/139113806.db2.gz WFAWVYMXCJUMDS-JLSDUUJJSA-N 1 2 347.434 1.584 10 0 EDAELO OC[C@H]1CCCN1c1cc(NCCCOC[C@H]2CCOC2)[nH+]cn1 ZINC000246833865 139123582 /nfs/dbraw/zinc/12/35/82/139123582.db2.gz CABILGVKSUVUPM-HUUCEWRRSA-N 1 2 336.436 1.293 10 0 EDAELO OC[C@H]1CCCN1c1cc(NCCCOC[C@H]2CCOC2)nc[nH+]1 ZINC000246833865 139123583 /nfs/dbraw/zinc/12/35/83/139123583.db2.gz CABILGVKSUVUPM-HUUCEWRRSA-N 1 2 336.436 1.293 10 0 EDAELO Cc1ccc([C@H](CNC(=O)C[C@@H](O)C(C)C)[NH+]2CCOCC2)s1 ZINC000161874506 206374859 /nfs/dbraw/zinc/37/48/59/206374859.db2.gz AUNWEDJFUMKEGM-LSDHHAIUSA-N 1 2 340.489 1.953 10 0 EDAELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)NCCN1CCc2ccccc21 ZINC000249714397 139197480 /nfs/dbraw/zinc/19/74/80/139197480.db2.gz HFTQUBYNRKFGCI-MOPGFXCFSA-N 1 2 343.471 1.809 10 0 EDAELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)NCCN1CCc2ccccc21 ZINC000249714397 139197481 /nfs/dbraw/zinc/19/74/81/139197481.db2.gz HFTQUBYNRKFGCI-MOPGFXCFSA-N 1 2 343.471 1.809 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000094716567 218269430 /nfs/dbraw/zinc/26/94/30/218269430.db2.gz YACLUOVFDXZWIH-VIFPVBQESA-N 1 2 349.175 1.788 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000094716567 218269432 /nfs/dbraw/zinc/26/94/32/218269432.db2.gz YACLUOVFDXZWIH-VIFPVBQESA-N 1 2 349.175 1.788 10 0 EDAELO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C(N)=O)c3ccccc3)C2=O)n(C)n1 ZINC000174345717 207012093 /nfs/dbraw/zinc/01/20/93/207012093.db2.gz ATHLHKSSEQPSTN-GDBMZVCRSA-N 1 2 341.415 1.040 10 0 EDAELO COC[C@@H](C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000176519795 207234299 /nfs/dbraw/zinc/23/42/99/207234299.db2.gz DPOGEZQSMCDJAD-KGLIPLIRSA-N 1 2 326.462 1.862 10 0 EDAELO C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)n2)C[C@@H]1N1CCOCC1 ZINC000177260077 207314390 /nfs/dbraw/zinc/31/43/90/207314390.db2.gz LXOBYEFPXJARKC-QAPCUYQASA-N 1 2 327.432 1.420 10 0 EDAELO C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)n2)C[C@@H]1N1CCOCC1 ZINC000177260077 207314394 /nfs/dbraw/zinc/31/43/94/207314394.db2.gz LXOBYEFPXJARKC-QAPCUYQASA-N 1 2 327.432 1.420 10 0 EDAELO CSC1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCOCC1 ZINC000177565864 207357447 /nfs/dbraw/zinc/35/74/47/207357447.db2.gz BGTKDFYDDWXCIS-CQSZACIVSA-N 1 2 338.477 1.969 10 0 EDAELO CN(CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C(=O)c1cccs1 ZINC000177781577 207395866 /nfs/dbraw/zinc/39/58/66/207395866.db2.gz CQACBGOBFXAYBH-CYBMUJFWSA-N 1 2 332.429 1.708 10 0 EDAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000263179983 139326889 /nfs/dbraw/zinc/32/68/89/139326889.db2.gz GRBLOTPLFFOCCE-CHWSQXEVSA-N 1 2 332.297 1.862 10 0 EDAELO COCC[N@@H+]1CCN(C(=O)Cn2ccc(=O)c3ccccc32)C[C@H]1C ZINC000117288841 221045626 /nfs/dbraw/zinc/04/56/26/221045626.db2.gz IOBNBPTYFUEXSL-OAHLLOKOSA-N 1 2 343.427 1.181 10 0 EDAELO COCC[N@H+]1CCN(C(=O)Cn2ccc(=O)c3ccccc32)C[C@H]1C ZINC000117288841 221045630 /nfs/dbraw/zinc/04/56/30/221045630.db2.gz IOBNBPTYFUEXSL-OAHLLOKOSA-N 1 2 343.427 1.181 10 0 EDAELO COCC[N@@H+]1CCN(C(=O)Cn2ccc(=O)c3ccccc32)C[C@@H]1C ZINC000117288844 221046399 /nfs/dbraw/zinc/04/63/99/221046399.db2.gz IOBNBPTYFUEXSL-HNNXBMFYSA-N 1 2 343.427 1.181 10 0 EDAELO COCC[N@H+]1CCN(C(=O)Cn2ccc(=O)c3ccccc32)C[C@@H]1C ZINC000117288844 221046401 /nfs/dbraw/zinc/04/64/01/221046401.db2.gz IOBNBPTYFUEXSL-HNNXBMFYSA-N 1 2 343.427 1.181 10 0 EDAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000117521694 221073090 /nfs/dbraw/zinc/07/30/90/221073090.db2.gz VRMBZWPHSLBGHF-MRXNPFEDSA-N 1 2 347.459 1.811 10 0 EDAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000117521694 221073092 /nfs/dbraw/zinc/07/30/92/221073092.db2.gz VRMBZWPHSLBGHF-MRXNPFEDSA-N 1 2 347.459 1.811 10 0 EDAELO C[C@@H](CNC(=O)NCCOC1CCCCCC1)[NH+]1CCOCC1 ZINC000118467243 221151223 /nfs/dbraw/zinc/15/12/23/221151223.db2.gz ZKXABOMFJXCQEO-HNNXBMFYSA-N 1 2 327.469 1.746 10 0 EDAELO CCc1nn(C)cc1CNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000333066992 141258077 /nfs/dbraw/zinc/25/80/77/141258077.db2.gz UGGKWNLRKOEVJS-XJKSGUPXSA-N 1 2 346.435 1.436 10 0 EDAELO O=C(NC[C@@H]1CCOC2(CCC2)C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000333131108 141269168 /nfs/dbraw/zinc/26/91/68/141269168.db2.gz WYLZJIPDDGVIKC-IAGOWNOFSA-N 1 2 336.476 1.953 10 0 EDAELO O=C(NC[C@@H]1CCOC2(CCC2)C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000333131108 141269170 /nfs/dbraw/zinc/26/91/70/141269170.db2.gz WYLZJIPDDGVIKC-IAGOWNOFSA-N 1 2 336.476 1.953 10 0 EDAELO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)c1cscc1Br ZINC000168011178 226206297 /nfs/dbraw/zinc/20/62/97/226206297.db2.gz ZYFUKLGEZGIWMV-MRVPVSSYSA-N 1 2 326.237 1.455 10 0 EDAELO O=C(Nc1cccc(OCCF)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000123213278 222237008 /nfs/dbraw/zinc/23/70/08/222237008.db2.gz NUDMNFPDEZEARY-OAHLLOKOSA-N 1 2 337.395 1.973 10 0 EDAELO CC(=O)Nc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000028398455 267381025 /nfs/dbraw/zinc/38/10/25/267381025.db2.gz BJKCZRVXIRLZRJ-CYBMUJFWSA-N 1 2 334.420 1.165 10 0 EDAELO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000334129777 278068799 /nfs/dbraw/zinc/06/87/99/278068799.db2.gz SOVMFMVIWOFRBN-DHSIGJKJSA-N 1 2 339.395 1.783 10 0 EDAELO COc1ccc(N2CC(=O)C(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)=N2)cc1 ZINC000181047945 295050298 /nfs/dbraw/zinc/05/02/98/295050298.db2.gz YRUBDRZUFKTZCF-AWEZNQCLSA-N 1 2 342.399 1.507 10 0 EDAELO COc1ccc(N2CC(=O)C(C(=O)N3CC[N@H+]4CCC[C@H]4C3)=N2)cc1 ZINC000181047945 295050302 /nfs/dbraw/zinc/05/03/02/295050302.db2.gz YRUBDRZUFKTZCF-AWEZNQCLSA-N 1 2 342.399 1.507 10 0 EDAELO C[C@@H](NC(=O)NCC1(O)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551225 441179026 /nfs/dbraw/zinc/17/90/26/441179026.db2.gz JJBOGARCHJOABM-CQSZACIVSA-N 1 2 344.415 1.774 10 0 EDAELO CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCCn1cc[nH+]c1 ZINC000080631722 441185307 /nfs/dbraw/zinc/18/53/07/441185307.db2.gz OFMHAWVVBLMAKN-ZDUSSCGKSA-N 1 2 337.424 1.582 10 0 EDAELO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1Cl ZINC000081159763 441237112 /nfs/dbraw/zinc/23/71/12/441237112.db2.gz OXCVJFSRTPQCHJ-GFCCVEGCSA-N 1 2 339.823 1.424 10 0 EDAELO COCCCNC(=O)CN(C)c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000105786714 441268956 /nfs/dbraw/zinc/26/89/56/441268956.db2.gz IEOVATFOLGTJHQ-CQSZACIVSA-N 1 2 335.452 1.302 10 0 EDAELO COCCCNC(=O)CN(C)c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000105786714 441268960 /nfs/dbraw/zinc/26/89/60/441268960.db2.gz IEOVATFOLGTJHQ-CQSZACIVSA-N 1 2 335.452 1.302 10 0 EDAELO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCO[C@H](Cn2cccn2)C1)C1CC1 ZINC000105890419 441309340 /nfs/dbraw/zinc/30/93/40/441309340.db2.gz IDBGZMNDJNGATB-PBHICJAKSA-N 1 2 332.448 1.373 10 0 EDAELO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCO[C@H](Cn2cccn2)C1)C1CC1 ZINC000105890419 441309342 /nfs/dbraw/zinc/30/93/42/441309342.db2.gz IDBGZMNDJNGATB-PBHICJAKSA-N 1 2 332.448 1.373 10 0 EDAELO C[N@H+](CCS(C)(=O)=O)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105903560 441313012 /nfs/dbraw/zinc/31/30/12/441313012.db2.gz ZIXHZSHCQWKCSB-ZDUSSCGKSA-N 1 2 332.491 1.098 10 0 EDAELO C[N@@H+](CCS(C)(=O)=O)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105903560 441313015 /nfs/dbraw/zinc/31/30/15/441313015.db2.gz ZIXHZSHCQWKCSB-ZDUSSCGKSA-N 1 2 332.491 1.098 10 0 EDAELO COC[C@H]1CN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000076471020 441649450 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C[C@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@H]1[NH+]1CCOCC1 ZINC000173822452 441845486 /nfs/dbraw/zinc/84/54/86/441845486.db2.gz VBCFIWFRWGCQND-GXTWGEPZSA-N 1 2 331.372 1.727 10 0 EDAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cccc2ccccc21 ZINC000122484209 441850749 /nfs/dbraw/zinc/85/07/49/441850749.db2.gz HIPRZUIAWWJGPZ-HNNXBMFYSA-N 1 2 329.400 1.654 10 0 EDAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000123821096 441900477 /nfs/dbraw/zinc/90/04/77/441900477.db2.gz VPAVMORTPNWXJE-UHFFFAOYSA-N 1 2 346.406 1.840 10 0 EDAELO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118671776 441900949 /nfs/dbraw/zinc/90/09/49/441900949.db2.gz SQPLKFOFNITTLL-AWEZNQCLSA-N 1 2 336.399 1.452 10 0 EDAELO C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174216526 441904302 /nfs/dbraw/zinc/90/43/02/441904302.db2.gz KONNISALJOOLIA-CYBMUJFWSA-N 1 2 341.415 1.840 10 0 EDAELO CC[C@@H](O)CN1CC[NH+](Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000123478148 441889118 /nfs/dbraw/zinc/88/91/18/441889118.db2.gz ABEAPQSKUGKINN-QGZVFWFLSA-N 1 2 329.448 1.464 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000125038183 441976945 /nfs/dbraw/zinc/97/69/45/441976945.db2.gz ZEJPDKUURYQLJE-KFWWJZLASA-N 1 2 337.420 1.208 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000125038183 441976948 /nfs/dbraw/zinc/97/69/48/441976948.db2.gz ZEJPDKUURYQLJE-KFWWJZLASA-N 1 2 337.420 1.208 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)Cc2cc(Br)ccc2F)C1 ZINC000125219578 441999263 /nfs/dbraw/zinc/99/92/63/441999263.db2.gz CPEBRWOIPXNXLH-GFCCVEGCSA-N 1 2 345.212 1.578 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)Cc2cc(Br)ccc2F)C1 ZINC000125219578 441999269 /nfs/dbraw/zinc/99/92/69/441999269.db2.gz CPEBRWOIPXNXLH-GFCCVEGCSA-N 1 2 345.212 1.578 10 0 EDAELO CNC(=O)[C@@H](c1ccccc1OC)[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000096113101 442037554 /nfs/dbraw/zinc/03/75/54/442037554.db2.gz ZTSYQKMPRRGWIQ-GOEBONIOSA-N 1 2 347.459 1.861 10 0 EDAELO 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XMLOXKRBZMKCLK-NSHDSACASA-N 1 2 343.221 1.275 10 0 EDAELO Cc1nc(C(C)(C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)sc1C ZINC000152909490 442250714 /nfs/dbraw/zinc/25/07/14/442250714.db2.gz ZLRSVMFMXLOFTR-LBPRGKRZSA-N 1 2 326.466 1.625 10 0 EDAELO Cc1nc(C(C)(C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)sc1C ZINC000152909490 442250716 /nfs/dbraw/zinc/25/07/16/442250716.db2.gz ZLRSVMFMXLOFTR-LBPRGKRZSA-N 1 2 326.466 1.625 10 0 EDAELO C[C@H](CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)Cn1cc[nH+]c1 ZINC000176384662 442216853 /nfs/dbraw/zinc/21/68/53/442216853.db2.gz ZXXWNSSQSQYEEL-KGLIPLIRSA-N 1 2 336.436 1.892 10 0 EDAELO C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)Oc1ccccc1F ZINC000176435322 442221401 /nfs/dbraw/zinc/22/14/01/442221401.db2.gz BHFIOWMFMJSUHL-OLZOCXBDSA-N 1 2 325.384 1.223 10 0 EDAELO C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)Oc1ccccc1F ZINC000176435322 442221405 /nfs/dbraw/zinc/22/14/05/442221405.db2.gz BHFIOWMFMJSUHL-OLZOCXBDSA-N 1 2 325.384 1.223 10 0 EDAELO Cc1ccc([C@@H](CNC(=O)C2=COCCO2)[NH+]2CCOCC2)s1 ZINC000176550549 442233087 /nfs/dbraw/zinc/23/30/87/442233087.db2.gz MBYZSPJWYBXPTB-CYBMUJFWSA-N 1 2 338.429 1.434 10 0 EDAELO CCc1nnc([C@@H]2C[N@H+](Cc3cccc(OCCOC)c3)CCO2)[nH]1 ZINC000129159198 442304389 /nfs/dbraw/zinc/30/43/89/442304389.db2.gz GJWUHMDDFYGXDT-INIZCTEOSA-N 1 2 346.431 1.966 10 0 EDAELO CCc1nnc([C@@H]2C[N@@H+](Cc3cccc(OCCOC)c3)CCO2)[nH]1 ZINC000129159198 442304393 /nfs/dbraw/zinc/30/43/93/442304393.db2.gz GJWUHMDDFYGXDT-INIZCTEOSA-N 1 2 346.431 1.966 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000170924695 442290183 /nfs/dbraw/zinc/29/01/83/442290183.db2.gz ZLBHOSBEOXKXNQ-ZDUSSCGKSA-N 1 2 329.347 1.418 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000170924695 442290186 /nfs/dbraw/zinc/29/01/86/442290186.db2.gz ZLBHOSBEOXKXNQ-ZDUSSCGKSA-N 1 2 329.347 1.418 10 0 EDAELO C[C@@H]1CCCN(c2cc(N3CCO[C@H](Cn4cccn4)C3)nc[nH+]2)C1 ZINC000170999843 442297368 /nfs/dbraw/zinc/29/73/68/442297368.db2.gz IPVUQRUGKDJGME-CVEARBPZSA-N 1 2 342.447 1.815 10 0 EDAELO C[C@@H]1CCCN(c2cc(N3CCO[C@H](Cn4cccn4)C3)[nH+]cn2)C1 ZINC000170999843 442297371 /nfs/dbraw/zinc/29/73/71/442297371.db2.gz IPVUQRUGKDJGME-CVEARBPZSA-N 1 2 342.447 1.815 10 0 EDAELO CC(C)Sc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000129510683 442320693 /nfs/dbraw/zinc/32/06/93/442320693.db2.gz ZVDAFFKCXXXQRS-CQSZACIVSA-N 1 2 338.473 1.610 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000171288658 442338982 /nfs/dbraw/zinc/33/89/82/442338982.db2.gz ANTSPUQKRYIOBX-AWEZNQCLSA-N 1 2 332.429 1.194 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000171288658 442338983 /nfs/dbraw/zinc/33/89/83/442338983.db2.gz ANTSPUQKRYIOBX-AWEZNQCLSA-N 1 2 332.429 1.194 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000171288989 442339087 /nfs/dbraw/zinc/33/90/87/442339087.db2.gz VWCBYVMKHTXOIE-GFCCVEGCSA-N 1 2 337.470 1.861 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000171288989 442339088 /nfs/dbraw/zinc/33/90/88/442339088.db2.gz VWCBYVMKHTXOIE-GFCCVEGCSA-N 1 2 337.470 1.861 10 0 EDAELO CCOCCO[C@H]1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000130134598 442339747 /nfs/dbraw/zinc/33/97/47/442339747.db2.gz APMPHEBVBZERRX-CABCVRRESA-N 1 2 336.436 1.070 10 0 EDAELO CCOCCO[C@H]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000130134598 442339748 /nfs/dbraw/zinc/33/97/48/442339748.db2.gz APMPHEBVBZERRX-CABCVRRESA-N 1 2 336.436 1.070 10 0 EDAELO COc1c(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)nn1C ZINC000153841441 442306629 /nfs/dbraw/zinc/30/66/29/442306629.db2.gz IVHRIBXCACIVLK-SWLSCSKDSA-N 1 2 346.435 1.726 10 0 EDAELO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)no1 ZINC000171653896 442367186 /nfs/dbraw/zinc/36/71/86/442367186.db2.gz WXALTQHEMZFARB-CMPLNLGQSA-N 1 2 346.439 1.227 10 0 EDAELO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)no1 ZINC000171653896 442367188 /nfs/dbraw/zinc/36/71/88/442367188.db2.gz WXALTQHEMZFARB-CMPLNLGQSA-N 1 2 346.439 1.227 10 0 EDAELO Cc1cnn([C@H]2CCCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C2)c1 ZINC000171906276 442389280 /nfs/dbraw/zinc/38/92/80/442389280.db2.gz RIWKLDDPCFLTNV-INIZCTEOSA-N 1 2 349.479 1.649 10 0 EDAELO Cc1cnn([C@H]2CCCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C2)c1 ZINC000171906276 442389283 /nfs/dbraw/zinc/38/92/83/442389283.db2.gz RIWKLDDPCFLTNV-INIZCTEOSA-N 1 2 349.479 1.649 10 0 EDAELO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)NC(=O)c3ccco3)cn21 ZINC000171939819 442392366 /nfs/dbraw/zinc/39/23/66/442392366.db2.gz DMCVZCUWGIKVCV-LBPRGKRZSA-N 1 2 326.356 1.670 10 0 EDAELO CCC(CC)[C@@H](C(=O)N[C@@H](C(=O)NC)C(C)C)[NH+]1CCOCC1 ZINC000178586670 442445683 /nfs/dbraw/zinc/44/56/83/442445683.db2.gz BLDPUHFGIWEBSN-CABCVRRESA-N 1 2 327.469 1.010 10 0 EDAELO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCc3ncnn3C2)c1C ZINC000172602451 442500445 /nfs/dbraw/zinc/50/04/45/442500445.db2.gz HTDXEKRKTGVSEQ-ZDUSSCGKSA-N 1 2 344.419 1.455 10 0 EDAELO C[C@H](NC(=O)NC[C@]1(O)CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000179609701 442481006 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CC(C)Oc1cccc(CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000172764212 442538227 /nfs/dbraw/zinc/53/82/27/442538227.db2.gz MHZXEQDIGKRNNM-KRWDZBQOSA-N 1 2 332.444 1.949 10 0 EDAELO Cc1cc(C)c(OCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(C)c1 ZINC000172748713 442532983 /nfs/dbraw/zinc/53/29/83/442532983.db2.gz WDFBPHLQMKVSHS-KRWDZBQOSA-N 1 2 332.444 1.924 10 0 EDAELO CCc1nn(C)cc1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180325516 442581288 /nfs/dbraw/zinc/58/12/88/442581288.db2.gz QDXAKVIULPNJPO-LBPRGKRZSA-N 1 2 343.435 1.213 10 0 EDAELO CCc1nn(C)cc1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000180325516 442581293 /nfs/dbraw/zinc/58/12/93/442581293.db2.gz QDXAKVIULPNJPO-LBPRGKRZSA-N 1 2 343.435 1.213 10 0 EDAELO CC(C)[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(N)=O ZINC000135339236 442582715 /nfs/dbraw/zinc/58/27/15/442582715.db2.gz NIKBKPPEVDOLHM-SWLSCSKDSA-N 1 2 329.404 1.742 10 0 EDAELO Cc1cc(F)cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000180249352 442565745 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CCN1CCN(C(=O)N[C@@H](COC)C2CC2)C[C@@H]1c1[nH+]ccn1C ZINC000583623264 448454344 /nfs/dbraw/zinc/45/43/44/448454344.db2.gz QATCZKVVNJKCAI-LSDHHAIUSA-N 1 2 335.452 1.233 10 0 EDAELO Nc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)c[nH+]1 ZINC000616598521 450454564 /nfs/dbraw/zinc/45/45/64/450454564.db2.gz MRHRIYCSXLQIMY-HNNXBMFYSA-N 1 2 333.413 1.816 10 0 EDAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCOCC[C@H]1c1cccnc1N ZINC000616655782 450457677 /nfs/dbraw/zinc/45/76/77/450457677.db2.gz BKHYOBFYGHZOEF-AWEZNQCLSA-N 1 2 336.436 1.952 10 0 EDAELO CC(C)(C)OC(=O)NCC[N@H+]1CCOCC[C@H]1c1cccnc1N ZINC000616655782 450457680 /nfs/dbraw/zinc/45/76/80/450457680.db2.gz BKHYOBFYGHZOEF-AWEZNQCLSA-N 1 2 336.436 1.952 10 0 EDAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1cc(Br)cn1C ZINC000633929353 451112188 /nfs/dbraw/zinc/11/21/88/451112188.db2.gz KDKPCICGWBBANW-NSHDSACASA-N 1 2 330.226 1.190 10 0 EDAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cc(Br)cn1C ZINC000633929353 451112189 /nfs/dbraw/zinc/11/21/89/451112189.db2.gz KDKPCICGWBBANW-NSHDSACASA-N 1 2 330.226 1.190 10 0 EDAELO Cc1cn2ccc(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)cc2n1 ZINC000635621959 451112318 /nfs/dbraw/zinc/11/23/18/451112318.db2.gz IGFYVFCRZRLLIQ-CZUORRHYSA-N 1 2 328.416 1.435 10 0 EDAELO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000074774941 486798526 /nfs/dbraw/zinc/79/85/26/486798526.db2.gz RJXYDLHZFSUGCT-MRXNPFEDSA-N 1 2 338.473 1.517 10 0 EDAELO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000074774941 486798528 /nfs/dbraw/zinc/79/85/28/486798528.db2.gz RJXYDLHZFSUGCT-MRXNPFEDSA-N 1 2 338.473 1.517 10 0 EDAELO CCN1C(=O)CC[C@H](C(=O)N(C)c2cnn(C)c2)[C@H]1c1[nH+]ccn1C ZINC000669094543 485642481 /nfs/dbraw/zinc/64/24/81/485642481.db2.gz QGFQPXXPTXOAKH-ZFWWWQNUSA-N 1 2 344.419 1.116 10 0 EDAELO Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)O)[NH+]2CCOCC2)s1 ZINC000175004620 534218306 /nfs/dbraw/zinc/21/83/06/534218306.db2.gz FOTLJYDRXSVMOW-TZMCWYRMSA-N 1 2 341.477 1.500 10 0 EDAELO C[C@@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173963678 534410627 /nfs/dbraw/zinc/41/06/27/534410627.db2.gz BVNAHAHHFNHEHZ-RHSMWYFYSA-N 1 2 345.443 1.181 10 0 EDAELO Cc1ccc2oc(N3CCN(CCC[NH+]4CCOCC4)CC3)nc2c1 ZINC000173674264 534538749 /nfs/dbraw/zinc/53/87/49/534538749.db2.gz LYMGXWADVDJPMV-UHFFFAOYSA-N 1 2 344.459 1.981 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)ccc2F)C1 ZINC000110484262 536435470 /nfs/dbraw/zinc/43/54/70/536435470.db2.gz AKVPKPGUKCSEBR-JTQLQIEISA-N 1 2 331.185 1.649 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Br)ccc2F)C1 ZINC000110484262 536435472 /nfs/dbraw/zinc/43/54/72/536435472.db2.gz AKVPKPGUKCSEBR-JTQLQIEISA-N 1 2 331.185 1.649 10 0 EDAELO CC(C)(C)c1ncc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000173894902 526882492 /nfs/dbraw/zinc/88/24/92/526882492.db2.gz FPCKAKAOMIYMHX-CQSZACIVSA-N 1 2 333.436 1.713 10 0 EDAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1nc2ccccc2n1C ZINC000184371211 528477693 /nfs/dbraw/zinc/47/76/93/528477693.db2.gz 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Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000194617464 442924783 /nfs/dbraw/zinc/92/47/83/442924783.db2.gz SMZWTURSMQWHKJ-WBVHZDCISA-N 1 2 347.459 1.196 10 0 EDAELO Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000194617464 442924786 /nfs/dbraw/zinc/92/47/86/442924786.db2.gz SMZWTURSMQWHKJ-WBVHZDCISA-N 1 2 347.459 1.196 10 0 EDAELO CCCCOc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000194633127 442927652 /nfs/dbraw/zinc/92/76/52/442927652.db2.gz AMZBEZKUIWFARE-HNNXBMFYSA-N 1 2 336.432 1.935 10 0 EDAELO CCCCOc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000194633127 442927654 /nfs/dbraw/zinc/92/76/54/442927654.db2.gz AMZBEZKUIWFARE-HNNXBMFYSA-N 1 2 336.432 1.935 10 0 EDAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000184445263 443022236 /nfs/dbraw/zinc/02/22/36/443022236.db2.gz OOIYCGNDSAWLAH-SUMWQHHRSA-N 1 2 336.480 1.585 10 0 EDAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000184445263 443022238 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COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000249743963 443002959 /nfs/dbraw/zinc/00/29/59/443002959.db2.gz YXOIAOJHNHDRFK-PMPSAXMXSA-N 1 2 348.447 1.185 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(O)(c3ccccc3)CC2)C1 ZINC000184861955 443087844 /nfs/dbraw/zinc/08/78/44/443087844.db2.gz HSBSGFJGUSGALT-MRXNPFEDSA-N 1 2 333.432 1.010 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(O)(c3ccccc3)CC2)C1 ZINC000184861955 443087846 /nfs/dbraw/zinc/08/78/46/443087846.db2.gz HSBSGFJGUSGALT-MRXNPFEDSA-N 1 2 333.432 1.010 10 0 EDAELO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@H](O)C[C@@H]3CO)c2C)no1 ZINC000184725787 443067860 /nfs/dbraw/zinc/06/78/60/443067860.db2.gz SKGYROXQKAKWJC-ZIAGYGMSSA-N 1 2 333.388 1.001 10 0 EDAELO Cc1cc(-n2c(C)cc(C(=O)C[N@H+]3C[C@H](O)C[C@@H]3CO)c2C)no1 ZINC000184725787 443067865 /nfs/dbraw/zinc/06/78/65/443067865.db2.gz SKGYROXQKAKWJC-ZIAGYGMSSA-N 1 2 333.388 1.001 10 0 EDAELO CO[C@@H](C)CNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000190668960 443160202 /nfs/dbraw/zinc/16/02/02/443160202.db2.gz YFXGSWJJJSTEMK-GXTWGEPZSA-N 1 2 341.477 1.764 10 0 EDAELO CCCCOc1cc(OC)ccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000185924771 443283995 /nfs/dbraw/zinc/28/39/95/443283995.db2.gz RTSROVIMHHMJBT-HNNXBMFYSA-N 1 2 336.432 1.935 10 0 EDAELO CCCCOc1cc(OC)ccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000185924771 443284001 /nfs/dbraw/zinc/28/40/01/443284001.db2.gz RTSROVIMHHMJBT-HNNXBMFYSA-N 1 2 336.432 1.935 10 0 EDAELO C[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000185936286 443287034 /nfs/dbraw/zinc/28/70/34/443287034.db2.gz HOQRICDXHGAMQY-CJNGLKHVSA-N 1 2 341.415 1.264 10 0 EDAELO CCSCc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)no1 ZINC000185936417 443287104 /nfs/dbraw/zinc/28/71/04/443287104.db2.gz LUCCTOITRWHPMD-WFASDCNBSA-N 1 2 339.461 1.720 10 0 EDAELO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccnn3C)C2)o1 ZINC000371336651 446786976 /nfs/dbraw/zinc/78/69/76/446786976.db2.gz QDKLFHSBBBGUPW-OAHLLOKOSA-N 1 2 331.420 1.594 10 0 EDAELO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)o1 ZINC000371336651 446786985 /nfs/dbraw/zinc/78/69/85/446786985.db2.gz QDKLFHSBBBGUPW-OAHLLOKOSA-N 1 2 331.420 1.594 10 0 EDAELO CC1(C)OC(=O)C(C(N)=[NH+]c2ccc(Br)cc2)C(=O)O1 ZINC000584662284 448589953 /nfs/dbraw/zinc/58/99/53/448589953.db2.gz UHOAETYMFYCLMK-UHFFFAOYSA-N 1 2 341.161 1.867 10 0 EDAELO Cn1ccnc1[C@@H]1OCC[C@H]1C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000658275028 452824988 /nfs/dbraw/zinc/82/49/88/452824988.db2.gz FRDCSAWFQOGSBV-HRCADAONSA-N 1 2 338.415 1.995 10 0 EDAELO COCc1cc(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)ccc1F ZINC000171654203 500821996 /nfs/dbraw/zinc/82/19/96/500821996.db2.gz MFAALWJPLBHAIF-CYBMUJFWSA-N 1 2 339.411 1.492 10 0 EDAELO COc1ccccc1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000183962935 533963175 /nfs/dbraw/zinc/96/31/75/533963175.db2.gz JFOSQVVNKKKRMC-UKRRQHHQSA-N 1 2 332.400 1.057 10 0 EDAELO C[C@@H]1CN(C(=O)c2c(Cl)nc3ccccn32)C[C@H]1[NH+]1CCOCC1 ZINC000173964556 534393168 /nfs/dbraw/zinc/39/31/68/534393168.db2.gz FICKBYQMMPDHRE-CHWSQXEVSA-N 1 2 348.834 1.780 10 0 EDAELO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)Nc3c(C)n[nH]c3C)C2)no1 ZINC000171503772 534410503 /nfs/dbraw/zinc/41/05/03/534410503.db2.gz UWMPBJPCSFQRED-ZDUSSCGKSA-N 1 2 332.408 1.611 10 0 EDAELO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3c(C)n[nH]c3C)C2)no1 ZINC000171503772 534410513 /nfs/dbraw/zinc/41/05/13/534410513.db2.gz UWMPBJPCSFQRED-ZDUSSCGKSA-N 1 2 332.408 1.611 10 0 EDAELO CCNc1nc(-n2cc(Br)cn2)nc(N2CCCC2)[nH+]1 ZINC000157751474 528437449 /nfs/dbraw/zinc/43/74/49/528437449.db2.gz UTNQTUKAQXBSJW-UHFFFAOYSA-N 1 2 338.213 1.852 10 0 EDAELO CCNc1ncc(C(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)s1 ZINC000129051349 528444712 /nfs/dbraw/zinc/44/47/12/528444712.db2.gz SJSXJPCPIDKLKT-LBPRGKRZSA-N 1 2 326.466 1.758 10 0 EDAELO CCNc1ncc(C(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)s1 ZINC000129051349 528444717 /nfs/dbraw/zinc/44/47/17/528444717.db2.gz SJSXJPCPIDKLKT-LBPRGKRZSA-N 1 2 326.466 1.758 10 0 EDAELO CCOC(=O)CC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000177971949 528651199 /nfs/dbraw/zinc/65/11/99/528651199.db2.gz KAPQLOXMDCFRSG-CYBMUJFWSA-N 1 2 340.445 1.499 10 0 EDAELO CCCCn1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(C)n1 ZINC000185936231 535142105 /nfs/dbraw/zinc/14/21/05/535142105.db2.gz ZZNNIQSKYAJFDY-YOEHRIQHSA-N 1 2 334.464 1.784 10 0 EDAELO CC[N@H+](CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000248569023 535727646 /nfs/dbraw/zinc/72/76/46/535727646.db2.gz PYYJOJLSZMGWGG-INIZCTEOSA-N 1 2 328.453 1.767 10 0 EDAELO CC[N@@H+](CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000248569023 535727653 /nfs/dbraw/zinc/72/76/53/535727653.db2.gz PYYJOJLSZMGWGG-INIZCTEOSA-N 1 2 328.453 1.767 10 0 EDAELO CCN(CC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000248569023 535727656 /nfs/dbraw/zinc/72/76/56/535727656.db2.gz PYYJOJLSZMGWGG-INIZCTEOSA-N 1 2 328.453 1.767 10 0 EDAELO CCN(CC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000248569023 535727659 /nfs/dbraw/zinc/72/76/59/535727659.db2.gz PYYJOJLSZMGWGG-INIZCTEOSA-N 1 2 328.453 1.767 10 0 EDAELO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000246374891 536459849 /nfs/dbraw/zinc/45/98/49/536459849.db2.gz HVAJOBQBMKKCMV-NVXWUHKLSA-N 1 2 343.431 1.916 10 0 EDAELO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000246374891 536459850 /nfs/dbraw/zinc/45/98/50/536459850.db2.gz HVAJOBQBMKKCMV-NVXWUHKLSA-N 1 2 343.431 1.916 10 0 EDAELO Cn1cc[nH+]c1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc2c(c1)CCC2 ZINC000888076840 590933325 /nfs/dbraw/zinc/93/33/25/590933325.db2.gz LENKHHFCUXMBHA-NVXWUHKLSA-N 1 2 338.411 1.659 10 0 EDAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(S(=O)(=O)c2ccccn2)C1 ZINC000888102690 591030676 /nfs/dbraw/zinc/03/06/76/591030676.db2.gz GJWOGUVPWDHOII-OLZOCXBDSA-N 1 2 336.417 1.572 10 0 EDAELO CC(C)(C)n1cc(C[NH+]2CCN(CN3CCSC3=O)CC2)cn1 ZINC000113924754 595906338 /nfs/dbraw/zinc/90/63/38/595906338.db2.gz ZDQCWVGWHSSELJ-UHFFFAOYSA-N 1 2 337.493 1.882 10 0 EDAELO CN1C(=O)CCc2cc(C[N@@H+]3CCO[C@@H](Cn4cccn4)C3)ccc21 ZINC000186948031 707186495 /nfs/dbraw/zinc/18/64/95/707186495.db2.gz AJJDYGAGXRYKHC-QGZVFWFLSA-N 1 2 340.427 1.693 10 0 EDAELO CN1C(=O)CCc2cc(C[N@H+]3CCO[C@@H](Cn4cccn4)C3)ccc21 ZINC000186948031 707186500 /nfs/dbraw/zinc/18/65/00/707186500.db2.gz AJJDYGAGXRYKHC-QGZVFWFLSA-N 1 2 340.427 1.693 10 0 EDAELO C[C@H]1CN(C(=O)c2cccc(-n3cccn3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173878320 231059292 /nfs/dbraw/zinc/05/92/92/231059292.db2.gz MWTNCOPBCGQTSR-MAUKXSAKSA-N 1 2 340.427 1.665 10 0 EDAELO CC[NH+]1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000056938744 214396416 /nfs/dbraw/zinc/39/64/16/214396416.db2.gz BJVSPFQAYWWXMX-AWEZNQCLSA-N 1 2 326.466 1.001 10 0 EDAELO COCCNC(=O)C[N@H+](C)Cc1ccc(Br)cc1F ZINC000049825053 214034193 /nfs/dbraw/zinc/03/41/93/214034193.db2.gz LPVZYJMZUVKVKW-UHFFFAOYSA-N 1 2 333.201 1.783 10 0 EDAELO COCCNC(=O)C[N@@H+](C)Cc1ccc(Br)cc1F ZINC000049825053 214034196 /nfs/dbraw/zinc/03/41/96/214034196.db2.gz LPVZYJMZUVKVKW-UHFFFAOYSA-N 1 2 333.201 1.783 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)N(Cc2ccc(O)cc2)CC2CC2)C1 ZINC000174749785 529783020 /nfs/dbraw/zinc/78/30/20/529783020.db2.gz PCAYFSUWQMPREK-KRWDZBQOSA-N 1 2 333.432 1.644 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)N(Cc2ccc(O)cc2)CC2CC2)C1 ZINC000174749785 529783021 /nfs/dbraw/zinc/78/30/21/529783021.db2.gz PCAYFSUWQMPREK-KRWDZBQOSA-N 1 2 333.432 1.644 10 0 EDAELO C[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000177248496 231839613 /nfs/dbraw/zinc/83/96/13/231839613.db2.gz SUFQRKXLPHMVBK-ZBFHGGJFSA-N 1 2 328.416 1.889 10 0 EDAELO Cc1ccc([C@H](C)NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)o1 ZINC000103511274 219310735 /nfs/dbraw/zinc/31/07/35/219310735.db2.gz BKMLQQRXYFNWJI-UONOGXRCSA-N 1 2 348.447 1.643 10 0 EDAELO COc1ccc(CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C2CC2)cc1 ZINC000105283025 138301126 /nfs/dbraw/zinc/30/11/26/138301126.db2.gz ZBAVUZUWCVOZRL-KRWDZBQOSA-N 1 2 333.432 1.700 10 0 EDAELO COc1ccc(CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C2CC2)cc1 ZINC000105283025 138301127 /nfs/dbraw/zinc/30/11/27/138301127.db2.gz ZBAVUZUWCVOZRL-KRWDZBQOSA-N 1 2 333.432 1.700 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccccc2Br)C1 ZINC000105282779 138301187 /nfs/dbraw/zinc/30/11/87/138301187.db2.gz VZGJDFGTAJCBLR-SNVBAGLBSA-N 1 2 328.210 1.901 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccccc2Br)C1 ZINC000105282779 138301188 /nfs/dbraw/zinc/30/11/88/138301188.db2.gz VZGJDFGTAJCBLR-SNVBAGLBSA-N 1 2 328.210 1.901 10 0 EDAELO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105910070 138302609 /nfs/dbraw/zinc/30/26/09/138302609.db2.gz SHCVGPIUDOXURV-UHFFFAOYSA-N 1 2 329.408 1.332 10 0 EDAELO COCC[NH+]1[C@H](C)CN(S(=O)(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000036124034 213070581 /nfs/dbraw/zinc/07/05/81/213070581.db2.gz PVTSBTYVBANPDC-ZIAGYGMSSA-N 1 2 342.461 1.425 10 0 EDAELO CC(C)=CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccncc1C ZINC000019146789 212001745 /nfs/dbraw/zinc/00/17/45/212001745.db2.gz WCQQXMZJIANROR-QGZVFWFLSA-N 1 2 344.459 1.505 10 0 EDAELO CC(C)=CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccncc1C ZINC000019146789 212001748 /nfs/dbraw/zinc/00/17/48/212001748.db2.gz WCQQXMZJIANROR-QGZVFWFLSA-N 1 2 344.459 1.505 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)N2CCSCC2)C1 ZINC000245387636 139071407 /nfs/dbraw/zinc/07/14/07/139071407.db2.gz ZHQAPQHKTIMDJX-SJORKVTESA-N 1 2 349.500 1.223 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)N2CCSCC2)C1 ZINC000245387636 139071408 /nfs/dbraw/zinc/07/14/08/139071408.db2.gz ZHQAPQHKTIMDJX-SJORKVTESA-N 1 2 349.500 1.223 10 0 EDAELO CO[C@H](C)c1noc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000245479443 139076613 /nfs/dbraw/zinc/07/66/13/139076613.db2.gz WKJCHYLQCCLIPZ-OLZOCXBDSA-N 1 2 332.408 1.668 10 0 EDAELO CO[C@H](C)c1noc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000245479443 139076614 /nfs/dbraw/zinc/07/66/14/139076614.db2.gz WKJCHYLQCCLIPZ-OLZOCXBDSA-N 1 2 332.408 1.668 10 0 EDAELO C[C@@H]1C[N@H+](Cc2cncc(Br)c2)C[C@H]1N1CCOCC1 ZINC000246288849 139102564 /nfs/dbraw/zinc/10/25/64/139102564.db2.gz AWLHKHDCMGNEMH-IUODEOHRSA-N 1 2 340.265 1.997 10 0 EDAELO C[C@@H]1C[N@@H+](Cc2cncc(Br)c2)C[C@H]1N1CCOCC1 ZINC000246288849 139102565 /nfs/dbraw/zinc/10/25/65/139102565.db2.gz AWLHKHDCMGNEMH-IUODEOHRSA-N 1 2 340.265 1.997 10 0 EDAELO Cc1cc(C)cc(NC(=O)CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000246394390 139106818 /nfs/dbraw/zinc/10/68/18/139106818.db2.gz JAPBWVWDFHGASS-AEFFLSMTSA-N 1 2 331.460 1.894 10 0 EDAELO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246438202 139108375 /nfs/dbraw/zinc/10/83/75/139108375.db2.gz WEOSXZFCNDEYOM-HOTGVXAUSA-N 1 2 348.447 1.881 10 0 EDAELO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246438202 139108376 /nfs/dbraw/zinc/10/83/76/139108376.db2.gz WEOSXZFCNDEYOM-HOTGVXAUSA-N 1 2 348.447 1.881 10 0 EDAELO C[C@H]1CN(CC(=O)Nc2cccnc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000246481162 139110129 /nfs/dbraw/zinc/11/01/29/139110129.db2.gz OSAFHZWIYZIMHP-GXTWGEPZSA-N 1 2 338.839 1.326 10 0 EDAELO COC(=O)CCCCCS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248774629 139175147 /nfs/dbraw/zinc/17/51/47/139175147.db2.gz PBFWEAVKXOWVBU-AWEZNQCLSA-N 1 2 332.466 1.220 10 0 EDAELO COC(=O)CCCCCS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248774629 139175148 /nfs/dbraw/zinc/17/51/48/139175148.db2.gz PBFWEAVKXOWVBU-AWEZNQCLSA-N 1 2 332.466 1.220 10 0 EDAELO CC[C@H]1CN(S(=O)(=O)c2ccc(C)c(F)c2)CC[N@@H+]1CCOC ZINC000117372173 221058747 /nfs/dbraw/zinc/05/87/47/221058747.db2.gz VYVFDGJPMMITNN-AWEZNQCLSA-N 1 2 344.452 1.865 10 0 EDAELO CC[C@H]1CN(S(=O)(=O)c2ccc(C)c(F)c2)CC[N@H+]1CCOC ZINC000117372173 221058751 /nfs/dbraw/zinc/05/87/51/221058751.db2.gz VYVFDGJPMMITNN-AWEZNQCLSA-N 1 2 344.452 1.865 10 0 EDAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000117521637 221073244 /nfs/dbraw/zinc/07/32/44/221073244.db2.gz YTYGNYGMJXHLSE-MRXNPFEDSA-N 1 2 347.459 1.811 10 0 EDAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000117521637 221073247 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ZINC000177876701 278332668 /nfs/dbraw/zinc/33/26/68/278332668.db2.gz WBHVVLCWCYAQNA-CRAIPNDOSA-N 1 2 339.480 1.434 10 0 EDAELO CC(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000328790339 279256819 /nfs/dbraw/zinc/25/68/19/279256819.db2.gz YSDGWODQSIQKCT-JKSUJKDBSA-N 1 2 349.479 1.349 10 0 EDAELO C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](OC(=O)[C@H](CS(C)(=O)=O)c1ccccc1)C2 ZINC000100188521 290317111 /nfs/dbraw/zinc/31/71/11/290317111.db2.gz PMDYMFNHVLPGQE-WCVJEAGWSA-N 1 2 337.441 1.593 10 0 EDAELO C[N@H+]1[C@@H]2CC[C@H]1[C@@H](OC(=O)[C@H](CS(C)(=O)=O)c1ccccc1)C2 ZINC000100188521 290317115 /nfs/dbraw/zinc/31/71/15/290317115.db2.gz PMDYMFNHVLPGQE-WCVJEAGWSA-N 1 2 337.441 1.593 10 0 EDAELO CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000015069707 441194816 /nfs/dbraw/zinc/19/48/16/441194816.db2.gz WDLDGFQWXPTWNR-QGZVFWFLSA-N 1 2 335.452 1.001 10 0 EDAELO CC(C)(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000015069707 441194820 /nfs/dbraw/zinc/19/48/20/441194820.db2.gz WDLDGFQWXPTWNR-QGZVFWFLSA-N 1 2 335.452 1.001 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccccc2OC(F)F)C1 ZINC000104779246 441207259 /nfs/dbraw/zinc/20/72/59/441207259.db2.gz XICGCVVIGSUMEM-GFCCVEGCSA-N 1 2 329.347 1.418 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)NCc2ccccc2OC(F)F)C1 ZINC000104779246 441207263 /nfs/dbraw/zinc/20/72/63/441207263.db2.gz XICGCVVIGSUMEM-GFCCVEGCSA-N 1 2 329.347 1.418 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(OCC3CC3)nc2)C1 ZINC000104794213 441209224 /nfs/dbraw/zinc/20/92/24/441209224.db2.gz CGIFOCXUOSVMHJ-HNNXBMFYSA-N 1 2 334.420 1.000 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(OCC3CC3)nc2)C1 ZINC000104794213 441209229 /nfs/dbraw/zinc/20/92/29/441209229.db2.gz CGIFOCXUOSVMHJ-HNNXBMFYSA-N 1 2 334.420 1.000 10 0 EDAELO CC(=O)Nc1nc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)cs1 ZINC000105800585 441273131 /nfs/dbraw/zinc/27/31/31/441273131.db2.gz PMLOMVCJQVNULR-UHFFFAOYSA-N 1 2 346.460 1.912 10 0 EDAELO CC(=O)Nc1nc(C[N@H+]2CCCN(c3ccc(C)nn3)CC2)cs1 ZINC000105800585 441273136 /nfs/dbraw/zinc/27/31/36/441273136.db2.gz PMLOMVCJQVNULR-UHFFFAOYSA-N 1 2 346.460 1.912 10 0 EDAELO CCC[C@@H](C)NC(=O)[C@@H](C)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000105865832 441295932 /nfs/dbraw/zinc/29/59/32/441295932.db2.gz HHNVDUFNCOGOII-RHSMWYFYSA-N 1 2 349.523 1.848 10 0 EDAELO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865832 441295933 /nfs/dbraw/zinc/29/59/33/441295933.db2.gz HHNVDUFNCOGOII-RHSMWYFYSA-N 1 2 349.523 1.848 10 0 EDAELO Cc1nn(C)c(C)c1C[NH+]1CCN([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000105865825 441296451 /nfs/dbraw/zinc/29/64/51/441296451.db2.gz OGUJSGMWMATXQZ-KRWDZBQOSA-N 1 2 349.523 1.705 10 0 EDAELO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000105865825 441296456 /nfs/dbraw/zinc/29/64/56/441296456.db2.gz OGUJSGMWMATXQZ-KRWDZBQOSA-N 1 2 349.523 1.705 10 0 EDAELO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000027565904 441406951 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CCC[C@H](C(=O)OCC)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000114802893 441685246 /nfs/dbraw/zinc/68/52/46/441685246.db2.gz MISVPOAQSUPODQ-QGZVFWFLSA-N 1 2 336.480 1.886 10 0 EDAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccccc2)nc[nH+]1 ZINC000173290207 441703920 /nfs/dbraw/zinc/70/39/20/441703920.db2.gz DMIMKDIJVFPVFP-HNNXBMFYSA-N 1 2 340.431 1.987 10 0 EDAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccccc2)[nH+]cn1 ZINC000173290207 441703926 /nfs/dbraw/zinc/70/39/26/441703926.db2.gz DMIMKDIJVFPVFP-HNNXBMFYSA-N 1 2 340.431 1.987 10 0 EDAELO O=C(NCCC1CC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000173305055 441707925 /nfs/dbraw/zinc/70/79/25/441707925.db2.gz VWAMHEMTVYKFQP-QGZVFWFLSA-N 1 2 347.459 1.554 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCn2cc(C)cn2)nc[nH+]1 ZINC000173427146 441747331 /nfs/dbraw/zinc/74/73/31/441747331.db2.gz WSURIYASAWJVSP-CQSZACIVSA-N 1 2 343.435 1.199 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCn2cc(C)cn2)[nH+]cn1 ZINC000173427146 441747340 /nfs/dbraw/zinc/74/73/40/441747340.db2.gz WSURIYASAWJVSP-CQSZACIVSA-N 1 2 343.435 1.199 10 0 EDAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCc2cscn2)nc[nH+]1 ZINC000173432217 441749524 /nfs/dbraw/zinc/74/95/24/441749524.db2.gz MQSKCHDNKMDNKV-ZDUSSCGKSA-N 1 2 346.460 1.693 10 0 EDAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCc2cscn2)[nH+]cn1 ZINC000173432217 441749528 /nfs/dbraw/zinc/74/95/28/441749528.db2.gz MQSKCHDNKMDNKV-ZDUSSCGKSA-N 1 2 346.460 1.693 10 0 EDAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccccc2F)nc[nH+]1 ZINC000173443600 441751687 /nfs/dbraw/zinc/75/16/87/441751687.db2.gz RVRKLXJMZLUYDT-AWEZNQCLSA-N 1 2 343.406 1.985 10 0 EDAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccccc2F)[nH+]cn1 ZINC000173443600 441751692 /nfs/dbraw/zinc/75/16/92/441751692.db2.gz RVRKLXJMZLUYDT-AWEZNQCLSA-N 1 2 343.406 1.985 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)C1 ZINC000121682198 441759008 /nfs/dbraw/zinc/75/90/08/441759008.db2.gz MLSFFGSVVAEPRJ-DLBZAZTESA-N 1 2 349.475 1.419 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)C1 ZINC000121682198 441759011 /nfs/dbraw/zinc/75/90/11/441759011.db2.gz MLSFFGSVVAEPRJ-DLBZAZTESA-N 1 2 349.475 1.419 10 0 EDAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2cccnc2)CC1 ZINC000115633771 441765260 /nfs/dbraw/zinc/76/52/60/441765260.db2.gz DSTFXJGTTXWRFW-UHFFFAOYSA-N 1 2 328.420 1.782 10 0 EDAELO Cc1csc([C@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000173492865 441768072 /nfs/dbraw/zinc/76/80/72/441768072.db2.gz FUTJOPMJVVCDNP-KBPBESRZSA-N 1 2 338.477 1.671 10 0 EDAELO Cc1csc([C@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000173492865 441768077 /nfs/dbraw/zinc/76/80/77/441768077.db2.gz FUTJOPMJVVCDNP-KBPBESRZSA-N 1 2 338.477 1.671 10 0 EDAELO COc1cccc(C(C)(C)CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000137720821 441777404 /nfs/dbraw/zinc/77/74/04/441777404.db2.gz GBINNAKWROXPNM-OAHLLOKOSA-N 1 2 349.475 1.993 10 0 EDAELO Cn1ccc(N2CCC[C@H]([NH+]3CCC(c4ccn[nH]4)CC3)C2=O)n1 ZINC000173605737 441803581 /nfs/dbraw/zinc/80/35/81/441803581.db2.gz JQGIICIDKKMIFF-HNNXBMFYSA-N 1 2 328.420 1.518 10 0 EDAELO CCOCC[N@@H+]1CCN(C(=O)c2ccc([S@](C)=O)cc2)C[C@@H]1C ZINC000117277654 441868014 /nfs/dbraw/zinc/86/80/14/441868014.db2.gz GKUIRWKAYFKSGY-LFVRLGFBSA-N 1 2 338.473 1.607 10 0 EDAELO CCOCC[N@H+]1CCN(C(=O)c2ccc([S@](C)=O)cc2)C[C@@H]1C ZINC000117277654 441868019 /nfs/dbraw/zinc/86/80/19/441868019.db2.gz GKUIRWKAYFKSGY-LFVRLGFBSA-N 1 2 338.473 1.607 10 0 EDAELO O=C(Cn1cc(-c2ccccc2)nn1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000122146041 441837470 /nfs/dbraw/zinc/83/74/70/441837470.db2.gz YCBHXKVDLVTLHE-MRXNPFEDSA-N 1 2 336.399 1.833 10 0 EDAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)COc3ccc(F)cc3Cl)C[C@@H]21 ZINC000152546364 442224794 /nfs/dbraw/zinc/22/47/94/442224794.db2.gz GWCHVOCCMFJFDE-GXTWGEPZSA-N 1 2 328.771 1.399 10 0 EDAELO C[N@H+]1CCO[C@@H]2CN(C(=O)COc3ccc(F)cc3Cl)C[C@@H]21 ZINC000152546364 442224796 /nfs/dbraw/zinc/22/47/96/442224796.db2.gz GWCHVOCCMFJFDE-GXTWGEPZSA-N 1 2 328.771 1.399 10 0 EDAELO O=C(CCc1ccccc1Cl)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154137791 442323226 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/nfs/dbraw/zinc/47/42/20/528474220.db2.gz NJPUMVALURACJL-MRXNPFEDSA-N 1 2 334.416 1.347 10 0 EDAELO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000248719472 535114718 /nfs/dbraw/zinc/11/47/18/535114718.db2.gz LGHHBPNWBBFEDM-HZPDHXFCSA-N 1 2 341.496 1.942 10 0 EDAELO CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000248719472 535114721 /nfs/dbraw/zinc/11/47/21/535114721.db2.gz LGHHBPNWBBFEDM-HZPDHXFCSA-N 1 2 341.496 1.942 10 0 EDAELO CCCCC[C@@H](C)NC(=O)C[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000248719472 535114724 /nfs/dbraw/zinc/11/47/24/535114724.db2.gz LGHHBPNWBBFEDM-HZPDHXFCSA-N 1 2 341.496 1.942 10 0 EDAELO CCCCC[C@@H](C)NC(=O)C[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000248719472 535114726 /nfs/dbraw/zinc/11/47/26/535114726.db2.gz LGHHBPNWBBFEDM-HZPDHXFCSA-N 1 2 341.496 1.942 10 0 EDAELO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000247221805 535645383 /nfs/dbraw/zinc/64/53/83/535645383.db2.gz QPNVUXPRBBXJTD-BFHYXJOUSA-N 1 2 337.468 1.750 10 0 EDAELO O=S(=O)(Cc1ccccc1F)Nc1ccc([C@H]2CCC[NH2+]2)nn1 ZINC000888076015 590929679 /nfs/dbraw/zinc/92/96/79/590929679.db2.gz NUXBXPYMBLKQRY-CYBMUJFWSA-N 1 2 336.392 1.982 10 0 EDAELO O=S(=O)(Cc1ccccc1F)Nc1ccc([C@@H]2CCC[NH2+]2)nn1 ZINC000888076016 590929780 /nfs/dbraw/zinc/92/97/80/590929780.db2.gz NUXBXPYMBLKQRY-ZDUSSCGKSA-N 1 2 336.392 1.982 10 0 EDAELO Cn1ccc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)[N@@H+]2Cc2ccccc2)c1 ZINC000888094901 591024365 /nfs/dbraw/zinc/02/43/65/591024365.db2.gz FXLFRQATNPRZPB-DLBZAZTESA-N 1 2 340.427 1.160 10 0 EDAELO Cn1ccc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)[N@H+]2Cc2ccccc2)c1 ZINC000888094901 591024369 /nfs/dbraw/zinc/02/43/69/591024369.db2.gz FXLFRQATNPRZPB-DLBZAZTESA-N 1 2 340.427 1.160 10 0 EDAELO CC[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000896731320 591595684 /nfs/dbraw/zinc/59/56/84/591595684.db2.gz XTQPFHMNOUUNQS-DOMZBBRYSA-N 1 2 346.406 1.885 10 0 EDAELO 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ZINC000118983450 221217061 /nfs/dbraw/zinc/21/70/61/221217061.db2.gz JWKHDFCBQZPTSF-PBHICJAKSA-N 1 2 335.448 1.504 10 0 EDAELO O=C(c1cc(F)cc2cccnc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000119198413 221264113 /nfs/dbraw/zinc/26/41/13/221264113.db2.gz MTQGWIXBLAPODD-OAHLLOKOSA-N 1 2 329.375 1.921 10 0 EDAELO C[NH+](C)C[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccccc2F)CCO1 ZINC000155251775 224384991 /nfs/dbraw/zinc/38/49/91/224384991.db2.gz DONHPLGZRNJSFC-GFCCVEGCSA-N 1 2 332.379 1.618 10 0 EDAELO COCCn1ccc2ccc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)cc21 ZINC000179432846 533340477 /nfs/dbraw/zinc/34/04/77/533340477.db2.gz XWHYEXFLZBKTTN-INIZCTEOSA-N 1 2 346.431 1.740 10 0 EDAELO COCCn1ccc2ccc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)cc21 ZINC000179432846 533340479 /nfs/dbraw/zinc/34/04/79/533340479.db2.gz XWHYEXFLZBKTTN-INIZCTEOSA-N 1 2 346.431 1.740 10 0 EDAELO CC(=O)N[C@H]1CCC[N@H+](CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000091540127 287332579 /nfs/dbraw/zinc/33/25/79/287332579.db2.gz MZEGFCXBJWYYFL-INIZCTEOSA-N 1 2 338.473 1.759 10 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NTHXOZRJLQKVTR-KRWDZBQOSA-N 1 2 338.415 1.580 10 0 EDAELO Cn1cc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)c(-c2cccnc2)n1 ZINC000122205256 222036469 /nfs/dbraw/zinc/03/64/69/222036469.db2.gz NTHXOZRJLQKVTR-KRWDZBQOSA-N 1 2 338.415 1.580 10 0 EDAELO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000052893633 267390710 /nfs/dbraw/zinc/39/07/10/267390710.db2.gz TVHIWTLETSMVPR-AWEZNQCLSA-N 1 2 341.452 1.082 10 0 EDAELO COc1cccc(OC)c1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000186283124 295310502 /nfs/dbraw/zinc/31/05/02/295310502.db2.gz MKDQPZDMMPNBNM-CYBMUJFWSA-N 1 2 340.445 1.563 10 0 EDAELO COc1cccc(OC)c1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000186283124 295310503 /nfs/dbraw/zinc/31/05/03/295310503.db2.gz MKDQPZDMMPNBNM-CYBMUJFWSA-N 1 2 340.445 1.563 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2nc(C(C)(C)C)cs2)C1 ZINC000104797911 441211276 /nfs/dbraw/zinc/21/12/76/441211276.db2.gz VSROWIKTZIXTIL-NSHDSACASA-N 1 2 326.466 1.570 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2nc(C(C)(C)C)cs2)C1 ZINC000104797911 441211280 /nfs/dbraw/zinc/21/12/80/441211280.db2.gz VSROWIKTZIXTIL-NSHDSACASA-N 1 2 326.466 1.570 10 0 EDAELO CC(C)[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1nc(C2CC2)no1 ZINC000105240526 441244577 /nfs/dbraw/zinc/24/45/77/441244577.db2.gz WIWSWABNYMTDQB-CHWSQXEVSA-N 1 2 337.424 1.274 10 0 EDAELO CC(C)[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1nc(C2CC2)no1 ZINC000105240526 441244580 /nfs/dbraw/zinc/24/45/80/441244580.db2.gz WIWSWABNYMTDQB-CHWSQXEVSA-N 1 2 337.424 1.274 10 0 EDAELO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105281715 441247622 /nfs/dbraw/zinc/24/76/22/441247622.db2.gz NYIPNJPRWNEIEF-CQSZACIVSA-N 1 2 334.420 1.149 10 0 EDAELO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105281715 441247625 /nfs/dbraw/zinc/24/76/25/441247625.db2.gz NYIPNJPRWNEIEF-CQSZACIVSA-N 1 2 334.420 1.149 10 0 EDAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cnc(C)cn3)CC2)cn1 ZINC000105831382 441283873 /nfs/dbraw/zinc/28/38/73/441283873.db2.gz DEOYCZZIHQFCNA-UHFFFAOYSA-N 1 2 342.447 1.740 10 0 EDAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cnc(C)cn3)CC2)cn1 ZINC000105831382 441283878 /nfs/dbraw/zinc/28/38/78/441283878.db2.gz DEOYCZZIHQFCNA-UHFFFAOYSA-N 1 2 342.447 1.740 10 0 EDAELO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2nccc(OCC)n2)CC1 ZINC000106152401 441327678 /nfs/dbraw/zinc/32/76/78/441327678.db2.gz LPTZVIDUUVNYDN-CABCVRRESA-N 1 2 349.479 1.691 10 0 EDAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000106458716 441345473 /nfs/dbraw/zinc/34/54/73/441345473.db2.gz LYKPKYXHMKPDBT-OAHLLOKOSA-N 1 2 336.399 1.978 10 0 EDAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000106458716 441345476 /nfs/dbraw/zinc/34/54/76/441345476.db2.gz LYKPKYXHMKPDBT-OAHLLOKOSA-N 1 2 336.399 1.978 10 0 EDAELO CCC[C@@H](C)NC(=O)[C@H](C)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105869668 441300971 /nfs/dbraw/zinc/30/09/71/441300971.db2.gz ZQSIDXSJQINPCR-CVEARBPZSA-N 1 2 335.496 1.621 10 0 EDAELO CCC[C@@H](C)NC(=O)[C@H](C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105869668 441300976 /nfs/dbraw/zinc/30/09/76/441300976.db2.gz ZQSIDXSJQINPCR-CVEARBPZSA-N 1 2 335.496 1.621 10 0 EDAELO COC(=O)c1cccc(C[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000105891036 441308675 /nfs/dbraw/zinc/30/86/75/441308675.db2.gz OXXSFKIRSVQVOU-KRWDZBQOSA-N 1 2 329.400 1.879 10 0 EDAELO COC(=O)c1cccc(C[N@H+]2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000105891036 441308680 /nfs/dbraw/zinc/30/86/80/441308680.db2.gz OXXSFKIRSVQVOU-KRWDZBQOSA-N 1 2 329.400 1.879 10 0 EDAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000105894297 441310629 /nfs/dbraw/zinc/31/06/29/441310629.db2.gz AGKFBYOEHCGWJK-INIZCTEOSA-N 1 2 338.496 1.331 10 0 EDAELO COc1cccc2c1OCCCN(c1cc(NCCO)[nH+]c(N)n1)C2 ZINC000065527415 441452066 /nfs/dbraw/zinc/45/20/66/441452066.db2.gz MHRSHRPNRWNTGL-UHFFFAOYSA-N 1 2 345.403 1.261 10 0 EDAELO COc1cccc2c1OCCCN(c1cc(NCCO)nc(N)[nH+]1)C2 ZINC000065527415 441452072 /nfs/dbraw/zinc/45/20/72/441452072.db2.gz MHRSHRPNRWNTGL-UHFFFAOYSA-N 1 2 345.403 1.261 10 0 EDAELO C[C@@H](CNC(=O)NCCC(=O)Nc1ccccc1)[NH+]1CCOCC1 ZINC000113374596 441604248 /nfs/dbraw/zinc/60/42/48/441604248.db2.gz UOKLMKSOHZXXDD-AWEZNQCLSA-N 1 2 334.420 1.035 10 0 EDAELO COC[C@@H](C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000158250343 441711138 /nfs/dbraw/zinc/71/11/38/441711138.db2.gz BRNZRBFORKERNU-OAHLLOKOSA-N 1 2 336.432 1.501 10 0 EDAELO Cc1ccc(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C ZINC000115389205 441735434 /nfs/dbraw/zinc/73/54/34/441735434.db2.gz ALEGDOLWPNFQBY-UHFFFAOYSA-N 1 2 329.448 1.642 10 0 EDAELO C[C@H](CNC(=O)NC[C@H](C)N(C)c1ccccc1)[NH+]1CCOCC1 ZINC000077793230 441861960 /nfs/dbraw/zinc/86/19/60/441861960.db2.gz QONHWQPKCIZODB-JKSUJKDBSA-N 1 2 334.464 1.531 10 0 EDAELO CCCS(=O)(=O)CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173919819 441862650 /nfs/dbraw/zinc/86/26/50/441862650.db2.gz OCOOPUIQYWVGJC-CYBMUJFWSA-N 1 2 335.429 1.874 10 0 EDAELO Cc1nnc([C@@H]2C[N@H+](C[C@H](O)COc3cccc(C)c3)CCO2)[nH]1 ZINC000173759707 441834761 /nfs/dbraw/zinc/83/47/61/441834761.db2.gz QMLASHQEECGSMJ-HOCLYGCPSA-N 1 2 332.404 1.235 10 0 EDAELO Cc1nnc([C@@H]2C[N@@H+](C[C@H](O)COc3cccc(C)c3)CCO2)[nH]1 ZINC000173759707 441834764 /nfs/dbraw/zinc/83/47/64/441834764.db2.gz QMLASHQEECGSMJ-HOCLYGCPSA-N 1 2 332.404 1.235 10 0 EDAELO O=C(NCCCOCC(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173784874 441840636 /nfs/dbraw/zinc/84/06/36/441840636.db2.gz FQHQKOVJCCHNNT-LBPRGKRZSA-N 1 2 339.358 1.072 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC000118480774 441896378 /nfs/dbraw/zinc/89/63/78/441896378.db2.gz YYEPPKRGJPKQLH-ZNMIVQPWSA-N 1 2 327.469 1.458 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC000118480774 441896386 /nfs/dbraw/zinc/89/63/86/441896386.db2.gz YYEPPKRGJPKQLH-ZNMIVQPWSA-N 1 2 327.469 1.458 10 0 EDAELO Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000174749048 441963648 /nfs/dbraw/zinc/96/36/48/441963648.db2.gz DVRIERIJOLEINF-SJLPKXTDSA-N 1 2 346.475 1.594 10 0 EDAELO Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000174749048 441963654 /nfs/dbraw/zinc/96/36/54/441963654.db2.gz DVRIERIJOLEINF-SJLPKXTDSA-N 1 2 346.475 1.594 10 0 EDAELO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c1C ZINC000125212467 441998102 /nfs/dbraw/zinc/99/81/02/441998102.db2.gz JUPCERVKMBRVAL-CQSZACIVSA-N 1 2 349.431 1.591 10 0 EDAELO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CCC[C@@H](NC(C)=O)C2)c1C ZINC000125212467 441998108 /nfs/dbraw/zinc/99/81/08/441998108.db2.gz JUPCERVKMBRVAL-CQSZACIVSA-N 1 2 349.431 1.591 10 0 EDAELO COCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000119947763 441981303 /nfs/dbraw/zinc/98/13/03/441981303.db2.gz OQFFSBDUYSIKSF-MRXNPFEDSA-N 1 2 335.448 1.487 10 0 EDAELO COCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000119947763 441981308 /nfs/dbraw/zinc/98/13/08/441981308.db2.gz OQFFSBDUYSIKSF-MRXNPFEDSA-N 1 2 335.448 1.487 10 0 EDAELO Cc1ccnc(-c2ccc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000151308239 442039952 /nfs/dbraw/zinc/03/99/52/442039952.db2.gz ULYULTUUOXEFHU-MRXNPFEDSA-N 1 2 341.415 1.904 10 0 EDAELO Cc1ccnc(-c2ccc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000151308239 442039955 /nfs/dbraw/zinc/03/99/55/442039955.db2.gz ULYULTUUOXEFHU-MRXNPFEDSA-N 1 2 341.415 1.904 10 0 EDAELO C[C@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)C1CC1 ZINC000175343375 442046192 /nfs/dbraw/zinc/04/61/92/442046192.db2.gz UKMCOSJILYRTPR-DOTOQJQBSA-N 1 2 332.444 1.617 10 0 EDAELO Cc1ncc(C[NH+]2CCN(Cc3cc(C(N)=O)cs3)CC2)s1 ZINC000120456776 442075694 /nfs/dbraw/zinc/07/56/94/442075694.db2.gz QRMAOUISERSKPY-UHFFFAOYSA-N 1 2 336.486 1.930 10 0 EDAELO CC[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)Oc1ccccc1F ZINC000175734503 442113710 /nfs/dbraw/zinc/11/37/10/442113710.db2.gz KRBFDBWRFRXRBP-UONOGXRCSA-N 1 2 339.411 1.613 10 0 EDAELO CC[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)Oc1ccccc1F ZINC000175734503 442113713 /nfs/dbraw/zinc/11/37/13/442113713.db2.gz KRBFDBWRFRXRBP-UONOGXRCSA-N 1 2 339.411 1.613 10 0 EDAELO CCCCC1CCC(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000176439383 442222855 /nfs/dbraw/zinc/22/28/55/442222855.db2.gz OBKFTVZXEBYAHZ-OFLPRAFFSA-N 1 2 326.481 1.792 10 0 EDAELO Cc1ccc([C@H](CNC(=O)[C@H]2CCCOC2)[NH+]2CCOCC2)s1 ZINC000176568041 442235759 /nfs/dbraw/zinc/23/57/59/442235759.db2.gz BSTHAPHCWKYNSD-GJZGRUSLSA-N 1 2 338.473 1.973 10 0 EDAELO C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCS1 ZINC000177004460 442284111 /nfs/dbraw/zinc/28/41/11/442284111.db2.gz RFPMVULRJSKXAO-LBPRGKRZSA-N 1 2 344.440 1.990 10 0 EDAELO CCOc1cc(C)nc(N2CC[NH+]([C@@H](C)C(=O)N[C@H](C)CC)CC2)n1 ZINC000170943535 442292606 /nfs/dbraw/zinc/29/26/06/442292606.db2.gz XARIEACLESLXRT-HIFRSBDPSA-N 1 2 349.479 1.609 10 0 EDAELO COc1c(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(C)nn1C ZINC000153763325 442301603 /nfs/dbraw/zinc/30/16/03/442301603.db2.gz DCLHWZDKCCBDLR-CYBMUJFWSA-N 1 2 332.408 1.897 10 0 EDAELO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000177257390 442321026 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C[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)[NH+]1CCOCC1 ZINC000041600551 441663023 /nfs/dbraw/zinc/66/30/23/441663023.db2.gz KQUDVQDWEBMKQI-LLVKDONJSA-N 1 2 325.796 1.115 10 0 EDAELO COCC[C@H](C)NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115671886 441768803 /nfs/dbraw/zinc/76/88/03/441768803.db2.gz XKZBTZXJNATPQE-ZDUSSCGKSA-N 1 2 337.468 1.289 10 0 EDAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000115389216 441735737 /nfs/dbraw/zinc/73/57/37/441735737.db2.gz LITWPFGJXCELNU-UHFFFAOYSA-N 1 2 349.866 1.987 10 0 EDAELO C[C@H](CNC(=O)NCC1([C@H](O)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000121632844 441745859 /nfs/dbraw/zinc/74/58/59/441745859.db2.gz NHUQOZLQZVQFPB-NVXWUHKLSA-N 1 2 347.459 1.520 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000173422324 441745929 /nfs/dbraw/zinc/74/59/29/441745929.db2.gz RHEOTRNGJFOVQI-MCIONIFRSA-N 1 2 348.451 1.090 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCCC[C@@H]2O)[nH+]cn1 ZINC000173422324 441745934 /nfs/dbraw/zinc/74/59/34/441745934.db2.gz RHEOTRNGJFOVQI-MCIONIFRSA-N 1 2 348.451 1.090 10 0 EDAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000077370060 441763917 /nfs/dbraw/zinc/76/39/17/441763917.db2.gz KBLDDXRDASLVOW-OKILXGFUSA-N 1 2 345.443 1.304 10 0 EDAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000077370060 441763925 /nfs/dbraw/zinc/76/39/25/441763925.db2.gz KBLDDXRDASLVOW-OKILXGFUSA-N 1 2 345.443 1.304 10 0 EDAELO CCOc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173778200 441839330 /nfs/dbraw/zinc/83/93/30/441839330.db2.gz PSGVIYWBXDCMNA-MRXNPFEDSA-N 1 2 333.432 1.701 10 0 EDAELO CC(C)COc1ncccc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173832538 441846916 /nfs/dbraw/zinc/84/69/16/441846916.db2.gz VCOKZOMRKVXRCN-DOTOQJQBSA-N 1 2 347.459 1.909 10 0 EDAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccco2)nc[nH+]1 ZINC000174001057 441875673 /nfs/dbraw/zinc/87/56/73/441875673.db2.gz NKLOTQWJOKWKKP-LBPRGKRZSA-N 1 2 330.392 1.580 10 0 EDAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccco2)[nH+]cn1 ZINC000174001057 441875677 /nfs/dbraw/zinc/87/56/77/441875677.db2.gz NKLOTQWJOKWKKP-LBPRGKRZSA-N 1 2 330.392 1.580 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC000118480782 441895263 /nfs/dbraw/zinc/89/52/63/441895263.db2.gz YYEPPKRGJPKQLH-KFWWJZLASA-N 1 2 327.469 1.458 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC000118480782 441895268 /nfs/dbraw/zinc/89/52/68/441895268.db2.gz YYEPPKRGJPKQLH-KFWWJZLASA-N 1 2 327.469 1.458 10 0 EDAELO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccc(-n2cccn2)c1 ZINC000174748397 441963966 /nfs/dbraw/zinc/96/39/66/441963966.db2.gz ISXKCGVZQOBTLG-PBHICJAKSA-N 1 2 343.431 1.563 10 0 EDAELO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccc(-n2cccn2)c1 ZINC000174748397 441963973 /nfs/dbraw/zinc/96/39/73/441963973.db2.gz ISXKCGVZQOBTLG-PBHICJAKSA-N 1 2 343.431 1.563 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)Cc2cc(F)ccc2Br)C1 ZINC000125218674 441999857 /nfs/dbraw/zinc/99/98/57/441999857.db2.gz QZOCLRCMMXLNRJ-GFCCVEGCSA-N 1 2 345.212 1.578 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)Cc2cc(F)ccc2Br)C1 ZINC000125218674 441999859 /nfs/dbraw/zinc/99/98/59/441999859.db2.gz QZOCLRCMMXLNRJ-GFCCVEGCSA-N 1 2 345.212 1.578 10 0 EDAELO CC[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)Oc1cccc(F)c1 ZINC000175610950 442092468 /nfs/dbraw/zinc/09/24/68/442092468.db2.gz OBCMRAHBWWTSHX-GDBMZVCRSA-N 1 2 339.411 1.613 10 0 EDAELO CC[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)Oc1cccc(F)c1 ZINC000175610950 442092472 /nfs/dbraw/zinc/09/24/72/442092472.db2.gz OBCMRAHBWWTSHX-GDBMZVCRSA-N 1 2 339.411 1.613 10 0 EDAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1CCCC[C@H]1CO ZINC000175936943 442149754 /nfs/dbraw/zinc/14/97/54/442149754.db2.gz IUKANRKYVUVOAF-LSDHHAIUSA-N 1 2 329.404 1.618 10 0 EDAELO C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)Oc1ccc(Cl)cc1 ZINC000176435592 442221924 /nfs/dbraw/zinc/22/19/24/442221924.db2.gz ZVELIHOJSNNXOR-WFASDCNBSA-N 1 2 341.839 1.737 10 0 EDAELO C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)Oc1ccc(Cl)cc1 ZINC000176435592 442221925 /nfs/dbraw/zinc/22/19/25/442221925.db2.gz ZVELIHOJSNNXOR-WFASDCNBSA-N 1 2 341.839 1.737 10 0 EDAELO CCc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000176436154 442221982 /nfs/dbraw/zinc/22/19/82/442221982.db2.gz LMDOLTWLOYXAHP-GOSISDBHSA-N 1 2 346.475 1.411 10 0 EDAELO CCc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000176436154 442221984 /nfs/dbraw/zinc/22/19/84/442221984.db2.gz LMDOLTWLOYXAHP-GOSISDBHSA-N 1 2 346.475 1.411 10 0 EDAELO COC(=O)C[C@@H](C)S(=O)(=O)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000176707665 442248868 /nfs/dbraw/zinc/24/88/68/442248868.db2.gz YQGMPBJDOCNSKS-SECBINFHSA-N 1 2 330.793 1.854 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000170924433 442290030 /nfs/dbraw/zinc/29/00/30/442290030.db2.gz BYPNKEWHPUXHJK-CABCVRRESA-N 1 2 346.456 1.862 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000170924433 442290033 /nfs/dbraw/zinc/29/00/33/442290033.db2.gz BYPNKEWHPUXHJK-CABCVRRESA-N 1 2 346.456 1.862 10 0 EDAELO CCn1cc(C2CC[NH+]([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)cn1 ZINC000171639394 442365505 /nfs/dbraw/zinc/36/55/05/442365505.db2.gz DXJBDJSUSXPZRO-GFCCVEGCSA-N 1 2 344.467 1.677 10 0 EDAELO CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177761706 442381037 /nfs/dbraw/zinc/38/10/37/442381037.db2.gz SQCLWIZADMMXPR-HZPDHXFCSA-N 1 2 332.448 1.913 10 0 EDAELO CC(C)n1ccc(CN2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000172014265 442399326 /nfs/dbraw/zinc/39/93/26/442399326.db2.gz AOJSMOKTXPUOSG-LJQANCHMSA-N 1 2 349.523 1.691 10 0 EDAELO CC[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CC[N@@H+]1CCOC ZINC000172230382 442426569 /nfs/dbraw/zinc/42/65/69/442426569.db2.gz CREBUCLMDYVLLA-CMJOXMDJSA-N 1 2 338.473 1.607 10 0 EDAELO CC[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CC[N@H+]1CCOC ZINC000172230382 442426571 /nfs/dbraw/zinc/42/65/71/442426571.db2.gz CREBUCLMDYVLLA-CMJOXMDJSA-N 1 2 338.473 1.607 10 0 EDAELO CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000156564012 442495395 /nfs/dbraw/zinc/49/53/95/442495395.db2.gz JKQFFTJQOICDTI-HNNXBMFYSA-N 1 2 327.388 1.292 10 0 EDAELO COc1cccc2c1OCC(C(=O)N1CC[C@H]([NH+]3CCOCC3)C1)=C2 ZINC000172752632 442533976 /nfs/dbraw/zinc/53/39/76/442533976.db2.gz PQFSRSBNZUKXRV-INIZCTEOSA-N 1 2 344.411 1.404 10 0 EDAELO Cc1nnc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccncc3)CCO2)[nH]1 ZINC000180117020 442543836 /nfs/dbraw/zinc/54/38/36/442543836.db2.gz DJMDPXUSLPMRAG-HNNXBMFYSA-N 1 2 339.403 1.482 10 0 EDAELO Cc1nnc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccncc3)CCO2)[nH]1 ZINC000180117020 442543841 /nfs/dbraw/zinc/54/38/41/442543841.db2.gz DJMDPXUSLPMRAG-HNNXBMFYSA-N 1 2 339.403 1.482 10 0 EDAELO Brc1ccc(CN2CC[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000135089872 442554450 /nfs/dbraw/zinc/55/44/50/442554450.db2.gz DFDYLRXAJOVGBP-AWEZNQCLSA-N 1 2 326.238 1.751 10 0 EDAELO Brc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)nc1 ZINC000135089872 442554452 /nfs/dbraw/zinc/55/44/52/442554452.db2.gz DFDYLRXAJOVGBP-AWEZNQCLSA-N 1 2 326.238 1.751 10 0 EDAELO Brc1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)nc1 ZINC000135089872 442554453 /nfs/dbraw/zinc/55/44/53/442554453.db2.gz DFDYLRXAJOVGBP-AWEZNQCLSA-N 1 2 326.238 1.751 10 0 EDAELO Cc1cc2ccccc2n1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172748353 442532312 /nfs/dbraw/zinc/53/23/12/442532312.db2.gz WESWCFGPTIZOBA-KRWDZBQOSA-N 1 2 327.428 1.883 10 0 EDAELO C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000157992801 442635104 /nfs/dbraw/zinc/63/51/04/442635104.db2.gz KXLKQPIUNGWKBG-GDBMZVCRSA-N 1 2 341.415 1.060 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)[nH]c(=O)c2)nc[nH+]1 ZINC000180486086 442610321 /nfs/dbraw/zinc/61/03/21/442610321.db2.gz XNARJFNMVIGKKV-CYBMUJFWSA-N 1 2 342.403 1.326 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)[nH]c(=O)c2)[nH+]cn1 ZINC000180486086 442610324 /nfs/dbraw/zinc/61/03/24/442610324.db2.gz XNARJFNMVIGKKV-CYBMUJFWSA-N 1 2 342.403 1.326 10 0 EDAELO Cc1c(F)cccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173190180 442621113 /nfs/dbraw/zinc/62/11/13/442621113.db2.gz YIIFBYPFDFQVCG-CYBMUJFWSA-N 1 2 335.379 1.006 10 0 EDAELO COc1ccc(F)c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1OC ZINC000188509543 442758196 /nfs/dbraw/zinc/75/81/96/442758196.db2.gz BIJQZVKFQMIIDC-LBPRGKRZSA-N 1 2 338.379 1.390 10 0 EDAELO COc1ccc(COC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000182748254 442818304 /nfs/dbraw/zinc/81/83/04/442818304.db2.gz BFTUKJUXVMDOFX-DOTOQJQBSA-N 1 2 346.431 1.918 10 0 EDAELO COc1ccc(COC[C@@H](O)C[N@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000182748254 442818309 /nfs/dbraw/zinc/81/83/09/442818309.db2.gz BFTUKJUXVMDOFX-DOTOQJQBSA-N 1 2 346.431 1.918 10 0 EDAELO O[C@@H](C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1)CC(F)(F)F ZINC000189157191 442888319 /nfs/dbraw/zinc/88/83/19/442888319.db2.gz ATWYNJSXEJBVQI-HUUCEWRRSA-N 1 2 332.366 1.651 10 0 EDAELO CC(=O)CCc1ccc(OCC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000194599625 442919636 /nfs/dbraw/zinc/91/96/36/442919636.db2.gz VHFBNDRQPREWTD-KRWDZBQOSA-N 1 2 334.416 1.034 10 0 EDAELO CC(=O)CCc1ccc(OCC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000194599625 442919641 /nfs/dbraw/zinc/91/96/41/442919641.db2.gz VHFBNDRQPREWTD-KRWDZBQOSA-N 1 2 334.416 1.034 10 0 EDAELO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194627147 442926837 /nfs/dbraw/zinc/92/68/37/442926837.db2.gz MPRAZNCBUSVMAQ-FUHWJXTLSA-N 1 2 343.427 1.397 10 0 EDAELO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194627147 442926841 /nfs/dbraw/zinc/92/68/41/442926841.db2.gz MPRAZNCBUSVMAQ-FUHWJXTLSA-N 1 2 343.427 1.397 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000248984166 442943084 /nfs/dbraw/zinc/94/30/84/442943084.db2.gz JMWYEXKUNYHSRO-OLZOCXBDSA-N 1 2 339.386 1.794 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000248984166 442943086 /nfs/dbraw/zinc/94/30/86/442943086.db2.gz JMWYEXKUNYHSRO-OLZOCXBDSA-N 1 2 339.386 1.794 10 0 EDAELO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194725501 442943829 /nfs/dbraw/zinc/94/38/29/442943829.db2.gz VNBRYYWSYLFJJM-MRXNPFEDSA-N 1 2 328.416 1.550 10 0 EDAELO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194725501 442943834 /nfs/dbraw/zinc/94/38/34/442943834.db2.gz VNBRYYWSYLFJJM-MRXNPFEDSA-N 1 2 328.416 1.550 10 0 EDAELO COC[C@@H]1C[N@H+](Cc2cnc(N3CCOCC3)s2)C[C@H](C)O1 ZINC000249127333 442954107 /nfs/dbraw/zinc/95/41/07/442954107.db2.gz CMGHRTCLYZMDAX-STQMWFEESA-N 1 2 327.450 1.215 10 0 EDAELO COC[C@@H]1C[N@@H+](Cc2cnc(N3CCOCC3)s2)C[C@H](C)O1 ZINC000249127333 442954109 /nfs/dbraw/zinc/95/41/09/442954109.db2.gz CMGHRTCLYZMDAX-STQMWFEESA-N 1 2 327.450 1.215 10 0 EDAELO CCOCC[N@@H+]1CCN(S(=O)(=O)CCc2cccs2)C[C@@H]1C ZINC000189630320 442986512 /nfs/dbraw/zinc/98/65/12/442986512.db2.gz PYYNRKRZIWJCBE-AWEZNQCLSA-N 1 2 346.518 1.663 10 0 EDAELO CCOCC[N@H+]1CCN(S(=O)(=O)CCc2cccs2)C[C@@H]1C ZINC000189630320 442986517 /nfs/dbraw/zinc/98/65/17/442986517.db2.gz PYYNRKRZIWJCBE-AWEZNQCLSA-N 1 2 346.518 1.663 10 0 EDAELO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@@H](O)C[C@@H]3CO)c2C)no1 ZINC000184725805 443067438 /nfs/dbraw/zinc/06/74/38/443067438.db2.gz SKGYROXQKAKWJC-KGLIPLIRSA-N 1 2 333.388 1.001 10 0 EDAELO Cc1cc(-n2c(C)cc(C(=O)C[N@H+]3C[C@@H](O)C[C@@H]3CO)c2C)no1 ZINC000184725805 443067442 /nfs/dbraw/zinc/06/74/42/443067442.db2.gz SKGYROXQKAKWJC-KGLIPLIRSA-N 1 2 333.388 1.001 10 0 EDAELO CO[C@@H](C)[C@H](C)NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000190681745 443162872 /nfs/dbraw/zinc/16/28/72/443162872.db2.gz UUHOVCYUDWRPAF-RYUDHWBXSA-N 1 2 326.466 1.702 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2ccccc2OC(F)F)C1 ZINC000191365740 443285416 /nfs/dbraw/zinc/28/54/16/443285416.db2.gz OSLVWIGSMISRGZ-ZDUSSCGKSA-N 1 2 343.374 1.460 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCc2ccccc2OC(F)F)C1 ZINC000191365740 443285420 /nfs/dbraw/zinc/28/54/20/443285420.db2.gz OSLVWIGSMISRGZ-ZDUSSCGKSA-N 1 2 343.374 1.460 10 0 EDAELO O=C(C[N@H+]1CCC[C@](O)(c2cn[nH]n2)C1)N1CCCc2ccccc21 ZINC000583618022 448446148 /nfs/dbraw/zinc/44/61/48/448446148.db2.gz VCWSADRYWOTPLL-GOSISDBHSA-N 1 2 341.415 1.068 10 0 EDAELO O=C(C[N@@H+]1CCC[C@](O)(c2cn[nH]n2)C1)N1CCCc2ccccc21 ZINC000583618022 448446153 /nfs/dbraw/zinc/44/61/53/448446153.db2.gz VCWSADRYWOTPLL-GOSISDBHSA-N 1 2 341.415 1.068 10 0 EDAELO O=C(C[N@H+]1CCC[C@](O)(c2c[nH]nn2)C1)N1CCCc2ccccc21 ZINC000583618022 448446158 /nfs/dbraw/zinc/44/61/58/448446158.db2.gz VCWSADRYWOTPLL-GOSISDBHSA-N 1 2 341.415 1.068 10 0 EDAELO O=C(C[N@@H+]1CCC[C@](O)(c2c[nH]nn2)C1)N1CCCc2ccccc21 ZINC000583618022 448446161 /nfs/dbraw/zinc/44/61/61/448446161.db2.gz VCWSADRYWOTPLL-GOSISDBHSA-N 1 2 341.415 1.068 10 0 EDAELO CCN1CCN(C(=O)NCC[C@H]2CCCO2)C[C@@H]1c1[nH+]ccn1C ZINC000583623976 448454427 /nfs/dbraw/zinc/45/44/27/448454427.db2.gz YHZZFRKRUKPNKJ-HUUCEWRRSA-N 1 2 335.452 1.377 10 0 EDAELO Nc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)c[nH+]1 ZINC000616659412 450458452 /nfs/dbraw/zinc/45/84/52/450458452.db2.gz MRHRIYCSXLQIMY-OAHLLOKOSA-N 1 2 333.413 1.816 10 0 EDAELO Cn1cc[nH+]c1[C@@H]1[C@@H](CNC(=O)c2cnc[nH]2)CCC(=O)N1C1CC1 ZINC000621001314 450571332 /nfs/dbraw/zinc/57/13/32/450571332.db2.gz JVMGQDJYFORNOI-ABAIWWIYSA-N 1 2 342.403 1.015 10 0 EDAELO Cc1ncc(C[NH+]2CCN(C(=O)NC[C@H]3CCCOC3)CC2)s1 ZINC000171903522 534735828 /nfs/dbraw/zinc/73/58/28/534735828.db2.gz ADWLOGUOTIQASE-CQSZACIVSA-N 1 2 338.477 1.705 10 0 EDAELO CC(C)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000174008383 528175236 /nfs/dbraw/zinc/17/52/36/528175236.db2.gz HVDJUNQPYUXKHB-QGZVFWFLSA-N 1 2 345.443 1.682 10 0 EDAELO CC(C)[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1nc2ccccc2[nH]1 ZINC000171580781 528558540 /nfs/dbraw/zinc/55/85/40/528558540.db2.gz FTBRPCTYPOLUNJ-XJKSGUPXSA-N 1 2 345.447 1.890 10 0 EDAELO CC(C)[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1nc2ccccc2[nH]1 ZINC000171580781 528558549 /nfs/dbraw/zinc/55/85/49/528558549.db2.gz FTBRPCTYPOLUNJ-XJKSGUPXSA-N 1 2 345.447 1.890 10 0 EDAELO CN1C(=O)CCc2cc(C[N@@H+]3CCO[C@H](Cn4cccn4)C3)ccc21 ZINC000186948009 707186734 /nfs/dbraw/zinc/18/67/34/707186734.db2.gz AJJDYGAGXRYKHC-KRWDZBQOSA-N 1 2 340.427 1.693 10 0 EDAELO CN1C(=O)CCc2cc(C[N@H+]3CCO[C@H](Cn4cccn4)C3)ccc21 ZINC000186948009 707186736 /nfs/dbraw/zinc/18/67/36/707186736.db2.gz AJJDYGAGXRYKHC-KRWDZBQOSA-N 1 2 340.427 1.693 10 0 EDAELO Cc1cc(NC(=O)C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000173951298 231079123 /nfs/dbraw/zinc/07/91/23/231079123.db2.gz XYJGNBHZTOTZKN-GFCCVEGCSA-N 1 2 339.355 1.985 10 0 EDAELO CCc1ccnc(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)c1 ZINC000181472246 529626634 /nfs/dbraw/zinc/62/66/34/529626634.db2.gz PIMXKCWAMCZLFA-CQSZACIVSA-N 1 2 340.431 1.875 10 0 EDAELO CCc1ccnc(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)c1 ZINC000181472246 529626636 /nfs/dbraw/zinc/62/66/36/529626636.db2.gz PIMXKCWAMCZLFA-CQSZACIVSA-N 1 2 340.431 1.875 10 0 EDAELO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H](n2cncn2)C1 ZINC000177760845 231978356 /nfs/dbraw/zinc/97/83/56/231978356.db2.gz HCBJRLJRCBJZBU-AWEZNQCLSA-N 1 2 325.376 1.473 10 0 EDAELO CCC1(CC)[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@H]1OC ZINC000247950037 282421751 /nfs/dbraw/zinc/42/17/51/282421751.db2.gz DYARTVIASUHRKN-BZUAXINKSA-N 1 2 339.480 1.696 10 0 EDAELO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3noc4c3CCCC4)C2)n[nH]1 ZINC000067587900 215164490 /nfs/dbraw/zinc/16/44/90/215164490.db2.gz RMLREXSTUDVKMP-ZDUSSCGKSA-N 1 2 343.431 1.837 10 0 EDAELO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)c3noc4c3CCCC4)C2)n[nH]1 ZINC000067587900 215164494 /nfs/dbraw/zinc/16/44/94/215164494.db2.gz RMLREXSTUDVKMP-ZDUSSCGKSA-N 1 2 343.431 1.837 10 0 EDAELO COC(=O)c1cc(Nc2nc[nH+]c(N(C)C)c2N)cc(C(=O)OC)c1 ZINC000040705591 213371686 /nfs/dbraw/zinc/37/16/86/213371686.db2.gz WTHMTFCPKMDSSO-UHFFFAOYSA-N 1 2 345.359 1.442 10 0 EDAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000083734728 138269410 /nfs/dbraw/zinc/26/94/10/138269410.db2.gz KUSPDMRBJXOHHL-ZDUSSCGKSA-N 1 2 331.424 1.773 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000105279658 138301291 /nfs/dbraw/zinc/30/12/91/138301291.db2.gz NFJWDXHCHKWRID-HNNXBMFYSA-N 1 2 329.404 1.384 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000105279658 138301292 /nfs/dbraw/zinc/30/12/92/138301292.db2.gz NFJWDXHCHKWRID-HNNXBMFYSA-N 1 2 329.404 1.384 10 0 EDAELO Cc1cc2cc(NC(=O)NC[C@@H](O)C[NH+]3CCOCC3)ccc2[nH]1 ZINC000092759253 138290241 /nfs/dbraw/zinc/29/02/41/138290241.db2.gz RQYWQAVPRHGBEH-OAHLLOKOSA-N 1 2 332.404 1.291 10 0 EDAELO CC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000118856847 138312825 /nfs/dbraw/zinc/31/28/25/138312825.db2.gz GIAMFZMNMCZCHA-ZBFHGGJFSA-N 1 2 349.475 1.794 10 0 EDAELO NC(=O)C[NH+]1CCC(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000020271471 212115474 /nfs/dbraw/zinc/11/54/74/212115474.db2.gz ZOSJXXIJQRQYKS-UHFFFAOYSA-N 1 2 349.822 1.030 10 0 EDAELO O=C([C@H]1SCCc2ccccc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173763828 296156209 /nfs/dbraw/zinc/15/62/09/296156209.db2.gz POAHRGCEEJKTFV-WBVHZDCISA-N 1 2 332.469 1.950 10 0 EDAELO Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1S(C)(=O)=O ZINC000195054230 139005838 /nfs/dbraw/zinc/00/58/38/139005838.db2.gz CJNWPTFEYXONIJ-HNNXBMFYSA-N 1 2 336.457 1.709 10 0 EDAELO Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1S(C)(=O)=O ZINC000195054230 139005839 /nfs/dbraw/zinc/00/58/39/139005839.db2.gz CJNWPTFEYXONIJ-HNNXBMFYSA-N 1 2 336.457 1.709 10 0 EDAELO COc1cc(NS(=O)(=O)C[C@H]2CCC[NH2+]2)c(OC)cc1Cl ZINC000049640719 214024390 /nfs/dbraw/zinc/02/43/90/214024390.db2.gz GHYAERSOPMHEDP-SECBINFHSA-N 1 2 334.825 1.851 10 0 EDAELO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085327 220097346 /nfs/dbraw/zinc/09/73/46/220097346.db2.gz SYIJEVSXZZFCJD-OAHLLOKOSA-N 1 2 338.371 1.005 10 0 EDAELO CC[C@@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC[N@@H+]1C[C@H](C)O ZINC000245721833 139084391 /nfs/dbraw/zinc/08/43/91/139084391.db2.gz UVFBTCGNBOVAEB-XJKSGUPXSA-N 1 2 343.431 1.389 10 0 EDAELO CC[C@@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC[N@H+]1C[C@H](C)O ZINC000245721833 139084392 /nfs/dbraw/zinc/08/43/92/139084392.db2.gz UVFBTCGNBOVAEB-XJKSGUPXSA-N 1 2 343.431 1.389 10 0 EDAELO COc1ccc(C)cc1NC(=O)CN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246297453 139103031 /nfs/dbraw/zinc/10/30/31/139103031.db2.gz BPAVPXRMRUUYEO-WBVHZDCISA-N 1 2 347.459 1.595 10 0 EDAELO C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246902351 139126285 /nfs/dbraw/zinc/12/62/85/139126285.db2.gz HRPWMXPVQBWSKJ-ZQIUZPCESA-N 1 2 336.407 1.772 10 0 EDAELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)C(=O)NCc3ccccc3)CCO2)c1 ZINC000247392066 139147206 /nfs/dbraw/zinc/14/72/06/139147206.db2.gz XEKQULRXZQCCIR-AEFFLSMTSA-N 1 2 342.443 1.597 10 0 EDAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)C(=O)NCc3ccccc3)CCO2)c1 ZINC000247392066 139147207 /nfs/dbraw/zinc/14/72/07/139147207.db2.gz XEKQULRXZQCCIR-AEFFLSMTSA-N 1 2 342.443 1.597 10 0 EDAELO O=C(c1sccc1OC(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172759111 296311980 /nfs/dbraw/zinc/31/19/80/296311980.db2.gz YEKUZXNFEATPCD-SNVBAGLBSA-N 1 2 332.372 1.896 10 0 EDAELO O=S(=O)(NCC[C@H]1CCC[NH2+]1)c1c(F)c(F)cc(F)c1F ZINC000262372267 139273937 /nfs/dbraw/zinc/27/39/37/139273937.db2.gz WWGZEQYPSSMRMF-SSDOTTSWSA-N 1 2 326.315 1.663 10 0 EDAELO Cc1cc(-n2c(C)cc(C(=O)NC[C@H](C)[NH+]3CCOCC3)c2C)no1 ZINC000097252846 219003968 /nfs/dbraw/zinc/00/39/68/219003968.db2.gz NSDFTOXYQDQVDX-ZDUSSCGKSA-N 1 2 346.431 1.841 10 0 EDAELO Cc1ccc(OC2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000116955814 221016538 /nfs/dbraw/zinc/01/65/38/221016538.db2.gz IBEJWKXQVIUDMA-SFHVURJKSA-N 1 2 347.459 1.878 10 0 EDAELO Cc1ccc(OC2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000116955814 221016542 /nfs/dbraw/zinc/01/65/42/221016542.db2.gz IBEJWKXQVIUDMA-SFHVURJKSA-N 1 2 347.459 1.878 10 0 EDAELO COCC[N@@H+]1CCN(C(=O)c2ccc(Br)o2)C[C@@H]1C ZINC000117294264 221048208 /nfs/dbraw/zinc/04/82/08/221048208.db2.gz LVIIYDDTVLZKRQ-JTQLQIEISA-N 1 2 331.210 1.835 10 0 EDAELO COCC[N@H+]1CCN(C(=O)c2ccc(Br)o2)C[C@@H]1C ZINC000117294264 221048211 /nfs/dbraw/zinc/04/82/11/221048211.db2.gz LVIIYDDTVLZKRQ-JTQLQIEISA-N 1 2 331.210 1.835 10 0 EDAELO C[C@]1(n2cc(CN3CCC[C@H]3c3[nH]cc[nH+]3)cn2)CCS(=O)(=O)C1 ZINC000328619229 140666511 /nfs/dbraw/zinc/66/65/11/140666511.db2.gz VTYOHFWRRAWNOO-HOCLYGCPSA-N 1 2 349.460 1.477 10 0 EDAELO COCCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H]1CCOC1 ZINC000329141842 161611237 /nfs/dbraw/zinc/61/12/37/161611237.db2.gz UNMWCFPHVKSYPM-OWCLPIDISA-N 1 2 333.432 1.418 10 0 EDAELO Cc1cnn(-c2ccc(C)cc2NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000158528629 225035478 /nfs/dbraw/zinc/03/54/78/225035478.db2.gz FCZCWLYYPXFZIX-OAHLLOKOSA-N 1 2 343.431 1.941 10 0 EDAELO Cc1cnn(-c2ccc(C)cc2NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000158528629 225035483 /nfs/dbraw/zinc/03/54/83/225035483.db2.gz FCZCWLYYPXFZIX-OAHLLOKOSA-N 1 2 343.431 1.941 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000104799983 441212206 /nfs/dbraw/zinc/21/22/06/441212206.db2.gz MJSKNDDLXRUFPR-KRWDZBQOSA-N 1 2 345.443 1.622 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000104799983 441212210 /nfs/dbraw/zinc/21/22/10/441212210.db2.gz MJSKNDDLXRUFPR-KRWDZBQOSA-N 1 2 345.443 1.622 10 0 EDAELO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)Nc1ccc(Cl)cn1 ZINC000105798985 441272910 /nfs/dbraw/zinc/27/29/10/441272910.db2.gz AYHRJFYWHMCEQG-UHFFFAOYSA-N 1 2 346.822 1.676 10 0 EDAELO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)Nc1ccc(Cl)cn1 ZINC000105798985 441272915 /nfs/dbraw/zinc/27/29/15/441272915.db2.gz AYHRJFYWHMCEQG-UHFFFAOYSA-N 1 2 346.822 1.676 10 0 EDAELO c1coc(-c2noc(C[N@@H+]3CCCN(c4cccnn4)CC3)n2)c1 ZINC000105799679 441273866 /nfs/dbraw/zinc/27/38/66/441273866.db2.gz NSNWCZPKDBRONZ-UHFFFAOYSA-N 1 2 326.360 1.832 10 0 EDAELO c1coc(-c2noc(C[N@H+]3CCCN(c4cccnn4)CC3)n2)c1 ZINC000105799679 441273872 /nfs/dbraw/zinc/27/38/72/441273872.db2.gz NSNWCZPKDBRONZ-UHFFFAOYSA-N 1 2 326.360 1.832 10 0 EDAELO CC(C)c1nnc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)n1C ZINC000105804242 441274385 /nfs/dbraw/zinc/27/43/85/441274385.db2.gz FAHOOIZGELYZNH-AWEZNQCLSA-N 1 2 329.452 1.829 10 0 EDAELO CC(C)c1nnc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)n1C ZINC000105804242 441274390 /nfs/dbraw/zinc/27/43/90/441274390.db2.gz FAHOOIZGELYZNH-AWEZNQCLSA-N 1 2 329.452 1.829 10 0 EDAELO CCn1cc[nH+]c1CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O ZINC000106436845 441342928 /nfs/dbraw/zinc/34/29/28/441342928.db2.gz FFLLUHJKSNMDKK-GOSISDBHSA-N 1 2 342.399 1.965 10 0 EDAELO CC(C)N(C(=O)CN1CCC[N@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC000105869081 441298802 /nfs/dbraw/zinc/29/88/02/441298802.db2.gz JASGKMXKICHWOS-UHFFFAOYSA-N 1 2 335.496 1.573 10 0 EDAELO CC(C)N(C(=O)CN1CCC[N@@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC000105869081 441298804 /nfs/dbraw/zinc/29/88/04/441298804.db2.gz JASGKMXKICHWOS-UHFFFAOYSA-N 1 2 335.496 1.573 10 0 EDAELO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893584 441311012 /nfs/dbraw/zinc/31/10/12/441311012.db2.gz JTNLWDBMBYYQID-RDJZCZTQSA-N 1 2 336.480 1.894 10 0 EDAELO CCC(CC)NC(=O)[C@H](C)[N@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893584 441311016 /nfs/dbraw/zinc/31/10/16/441311016.db2.gz JTNLWDBMBYYQID-RDJZCZTQSA-N 1 2 336.480 1.894 10 0 EDAELO COc1cccc(C[N@@H+]2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)n1 ZINC000085436229 441440094 /nfs/dbraw/zinc/44/00/94/441440094.db2.gz VFYHQDLJAPUZAC-MRXNPFEDSA-N 1 2 346.431 1.191 10 0 EDAELO COc1cccc(C[N@H+]2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)n1 ZINC000085436229 441440099 /nfs/dbraw/zinc/44/00/99/441440099.db2.gz VFYHQDLJAPUZAC-MRXNPFEDSA-N 1 2 346.431 1.191 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C(C)C)n[nH]2)nc[nH+]1 ZINC000173436171 441751174 /nfs/dbraw/zinc/75/11/74/441751174.db2.gz KBRKNIQIHUWZNS-GFCCVEGCSA-N 1 2 343.435 1.764 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C(C)C)n[nH]2)[nH+]cn1 ZINC000173436171 441751177 /nfs/dbraw/zinc/75/11/77/441751177.db2.gz KBRKNIQIHUWZNS-GFCCVEGCSA-N 1 2 343.435 1.764 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(COC)o2)nc[nH+]1 ZINC000173444825 441752681 /nfs/dbraw/zinc/75/26/81/441752681.db2.gz JORMEKTYYWYOJL-GFCCVEGCSA-N 1 2 345.403 1.657 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(COC)o2)[nH+]cn1 ZINC000173444825 441752686 /nfs/dbraw/zinc/75/26/86/441752686.db2.gz JORMEKTYYWYOJL-GFCCVEGCSA-N 1 2 345.403 1.657 10 0 EDAELO CCOc1ccc(OCCNC(=O)C[NH+]2[C@@H](C)COC[C@@H]2C)cc1 ZINC000077368116 441764531 /nfs/dbraw/zinc/76/45/31/441764531.db2.gz UFXDKJCJAXLRAQ-GJZGRUSLSA-N 1 2 336.432 1.690 10 0 EDAELO CCOc1ccccc1NC(=O)CC[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000137507123 441772796 /nfs/dbraw/zinc/77/27/96/441772796.db2.gz DGSOBCBTKRBLCC-MRXNPFEDSA-N 1 2 349.475 1.802 10 0 EDAELO CN1C(=O)C[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccc(F)cc1 ZINC000121778522 441779620 /nfs/dbraw/zinc/77/96/20/441779620.db2.gz NILYNBUQXAGZPX-WBVHZDCISA-N 1 2 344.390 1.748 10 0 EDAELO CCn1cc(C2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)cn1 ZINC000159149169 441791362 /nfs/dbraw/zinc/79/13/62/441791362.db2.gz VOJFIWRLPBSKCB-MRXNPFEDSA-N 1 2 335.452 1.123 10 0 EDAELO CCn1cc(C2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)cn1 ZINC000159149169 441791368 /nfs/dbraw/zinc/79/13/68/441791368.db2.gz VOJFIWRLPBSKCB-MRXNPFEDSA-N 1 2 335.452 1.123 10 0 EDAELO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173988629 441874374 /nfs/dbraw/zinc/87/43/74/441874374.db2.gz QJXKNIPJKWMGDU-ROUUACIJSA-N 1 2 347.434 1.552 10 0 EDAELO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173988629 441874382 /nfs/dbraw/zinc/87/43/82/441874382.db2.gz QJXKNIPJKWMGDU-ROUUACIJSA-N 1 2 347.434 1.552 10 0 EDAELO O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173988629 441874386 /nfs/dbraw/zinc/87/43/86/441874386.db2.gz QJXKNIPJKWMGDU-ROUUACIJSA-N 1 2 347.434 1.552 10 0 EDAELO C[C@@H]1CN(C(=O)CSC[C@@H]2CCCCO2)C[C@H]1[NH+]1CCOCC1 ZINC000173889926 441857749 /nfs/dbraw/zinc/85/77/49/441857749.db2.gz BSXZUOCYBKZBDE-OWCLPIDISA-N 1 2 342.505 1.468 10 0 EDAELO C[C@H](O)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173907097 441860837 /nfs/dbraw/zinc/86/08/37/441860837.db2.gz AXKKEZDPLXHLIP-WMLDXEAASA-N 1 2 333.432 1.356 10 0 EDAELO O=C(NCCc1nc2ccccc2[nH]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173768007 441838262 /nfs/dbraw/zinc/83/82/62/441838262.db2.gz DICFAZIXPOYEFR-AWEZNQCLSA-N 1 2 343.431 1.222 10 0 EDAELO CCc1cc(=O)[nH]c(C[NH+]2CCC(N(C)c3cccnn3)CC2)n1 ZINC000120002701 441992343 /nfs/dbraw/zinc/99/23/43/441992343.db2.gz LKJJGIOBDSHSIO-UHFFFAOYSA-N 1 2 328.420 1.635 10 0 EDAELO C[C@H](CNC(=O)N[C@@H](C)COCc1ccccc1)[NH+]1CCOCC1 ZINC000175004647 441994053 /nfs/dbraw/zinc/99/40/53/441994053.db2.gz FJBVZFXWCYHXSX-JKSUJKDBSA-N 1 2 335.448 1.612 10 0 EDAELO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161566038 442012804 /nfs/dbraw/zinc/01/28/04/442012804.db2.gz XWVJHVGBRXTXKU-OLZOCXBDSA-N 1 2 334.420 1.571 10 0 EDAELO COc1cc(C)c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1OC ZINC000120891007 442148451 /nfs/dbraw/zinc/14/84/51/442148451.db2.gz SVNNTSUSJFKDHN-CQSZACIVSA-N 1 2 334.416 1.559 10 0 EDAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)CCn2cncn2)c2cccs2)CCO1 ZINC000176582356 442236910 /nfs/dbraw/zinc/23/69/10/442236910.db2.gz NXSDVDUMQHWDQZ-KBPBESRZSA-N 1 2 349.460 1.308 10 0 EDAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)CCn2cncn2)c2cccs2)CCO1 ZINC000176582356 442236914 /nfs/dbraw/zinc/23/69/14/442236914.db2.gz NXSDVDUMQHWDQZ-KBPBESRZSA-N 1 2 349.460 1.308 10 0 EDAELO CCOCCCNC(=O)[C@@H](C)[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176878226 442265851 /nfs/dbraw/zinc/26/58/51/442265851.db2.gz LENQUESRIHSBNC-DMZKTXOQSA-N 1 2 329.466 1.644 10 0 EDAELO C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H](C)O1 ZINC000176954980 442277431 /nfs/dbraw/zinc/27/74/31/442277431.db2.gz KUVRRMQVHAKPLH-STQMWFEESA-N 1 2 342.399 1.661 10 0 EDAELO CCn1c(CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)nc2ccccc21 ZINC000170923491 442289470 /nfs/dbraw/zinc/28/94/70/442289470.db2.gz HZFLRCXAMFVMAH-AWEZNQCLSA-N 1 2 345.447 1.229 10 0 EDAELO CCn1c(CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)nc2ccccc21 ZINC000170923491 442289472 /nfs/dbraw/zinc/28/94/72/442289472.db2.gz HZFLRCXAMFVMAH-AWEZNQCLSA-N 1 2 345.447 1.229 10 0 EDAELO CCc1nn(C)c(CC)c1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000128962662 442296599 /nfs/dbraw/zinc/29/65/99/442296599.db2.gz FIAHLNPANSCZSA-AWEZNQCLSA-N 1 2 349.479 1.161 10 0 EDAELO CCc1nn(C)c(Cl)c1C[NH+]1CCN(Cc2ncnn2C)CC1 ZINC000177137068 442303179 /nfs/dbraw/zinc/30/31/79/442303179.db2.gz BGQADNZFKUCWFC-UHFFFAOYSA-N 1 2 337.859 1.082 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000171287306 442339109 /nfs/dbraw/zinc/33/91/09/442339109.db2.gz YERMKWFNAJHJJO-CQSZACIVSA-N 1 2 332.429 1.595 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000171287306 442339110 /nfs/dbraw/zinc/33/91/10/442339110.db2.gz YERMKWFNAJHJJO-CQSZACIVSA-N 1 2 332.429 1.595 10 0 EDAELO C[C@H](CNC(=O)NCCOc1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000171711241 442373007 /nfs/dbraw/zinc/37/30/07/442373007.db2.gz UWMRANLISLGUOY-GFCCVEGCSA-N 1 2 343.374 1.364 10 0 EDAELO Cc1ccccc1C(=O)N[C@H](C(=O)NCCc1[nH]cc[nH+]1)C(C)C ZINC000171757909 442378000 /nfs/dbraw/zinc/37/80/00/442378000.db2.gz ZVHNBCRQQMHHIM-INIZCTEOSA-N 1 2 328.416 1.831 10 0 EDAELO O=C(NCc1ccn2cc[nH+]c2c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177770067 442382057 /nfs/dbraw/zinc/38/20/57/442382057.db2.gz AAZKMZQUANDWDW-OAHLLOKOSA-N 1 2 340.387 1.141 10 0 EDAELO COCCC1(CNC(=O)NC[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000155415970 442396636 /nfs/dbraw/zinc/39/66/36/442396636.db2.gz PUEWYHOMKXQWNU-HNNXBMFYSA-N 1 2 327.469 1.603 10 0 EDAELO CCOc1cc(Cl)ccc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000155545202 442406647 /nfs/dbraw/zinc/40/66/47/442406647.db2.gz JAVMZNFHOMMVRX-AWEZNQCLSA-N 1 2 341.839 1.869 10 0 EDAELO CCOc1cc(Cl)ccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000155545202 442406651 /nfs/dbraw/zinc/40/66/51/442406651.db2.gz JAVMZNFHOMMVRX-AWEZNQCLSA-N 1 2 341.839 1.869 10 0 EDAELO Cn1cc([C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C2)cn1 ZINC000172182514 442420225 /nfs/dbraw/zinc/42/02/25/442420225.db2.gz AJSJQLRBRDIURM-CQSZACIVSA-N 1 2 335.452 1.030 10 0 EDAELO Cn1cc([C@@H]2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C2)cn1 ZINC000172182514 442420226 /nfs/dbraw/zinc/42/02/26/442420226.db2.gz AJSJQLRBRDIURM-CQSZACIVSA-N 1 2 335.452 1.030 10 0 EDAELO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000178662647 442453510 /nfs/dbraw/zinc/45/35/10/442453510.db2.gz YIHLGJSNLOPYPF-SJORKVTESA-N 1 2 335.448 1.391 10 0 EDAELO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000178662647 442453517 /nfs/dbraw/zinc/45/35/17/442453517.db2.gz YIHLGJSNLOPYPF-SJORKVTESA-N 1 2 335.448 1.391 10 0 EDAELO CC(=O)NC1C[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000191728650 442499271 /nfs/dbraw/zinc/49/92/71/442499271.db2.gz KCMHXUHOYSGJND-LBPRGKRZSA-N 1 2 332.322 1.265 10 0 EDAELO COc1ccc(OC)c(CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000172757430 442536382 /nfs/dbraw/zinc/53/63/82/442536382.db2.gz DSAZKFJDQWKYKN-HNNXBMFYSA-N 1 2 334.416 1.179 10 0 EDAELO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191994801 442558590 /nfs/dbraw/zinc/55/85/90/442558590.db2.gz BDXDZDYQECISIL-ZIAGYGMSSA-N 1 2 327.469 1.551 10 0 EDAELO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000191994801 442558596 /nfs/dbraw/zinc/55/85/96/442558596.db2.gz BDXDZDYQECISIL-ZIAGYGMSSA-N 1 2 327.469 1.551 10 0 EDAELO C[C@@H]1CCCN(c2cc(NCCOCCS(C)(=O)=O)[nH+]cn2)C1 ZINC000172770751 442540586 /nfs/dbraw/zinc/54/05/86/442540586.db2.gz MCXLIAFCHOXION-CYBMUJFWSA-N 1 2 342.465 1.186 10 0 EDAELO C[C@@H]1CCCN(c2cc(NCCOCCS(C)(=O)=O)nc[nH+]2)C1 ZINC000172770751 442540590 /nfs/dbraw/zinc/54/05/90/442540590.db2.gz MCXLIAFCHOXION-CYBMUJFWSA-N 1 2 342.465 1.186 10 0 EDAELO O=C(c1ccc(OC(F)F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172742163 442530096 /nfs/dbraw/zinc/53/00/96/442530096.db2.gz FENRYZLFCNGXSV-ZDUSSCGKSA-N 1 2 326.343 1.835 10 0 EDAELO Cc1ccccc1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000180246521 442566552 /nfs/dbraw/zinc/56/65/52/442566552.db2.gz VQERJLCZSOVBRR-GOEBONIOSA-N 1 2 331.416 1.113 10 0 EDAELO COc1ccc(C[C@@H](C)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000136089628 442650296 /nfs/dbraw/zinc/65/02/96/442650296.db2.gz CFRDRBZHGUMNJK-WBVHZDCISA-N 1 2 332.444 1.807 10 0 EDAELO O=S(=O)(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)c1ccc(F)cc1 ZINC000192577702 442665081 /nfs/dbraw/zinc/66/50/81/442665081.db2.gz DPNHJBSKSGGPFN-CQSZACIVSA-N 1 2 338.408 1.528 10 0 EDAELO O=S(=O)(CC[N@H+]1CCC[C@@H](n2cncn2)C1)c1ccc(F)cc1 ZINC000192577702 442665083 /nfs/dbraw/zinc/66/50/83/442665083.db2.gz DPNHJBSKSGGPFN-CQSZACIVSA-N 1 2 338.408 1.528 10 0 EDAELO Cc1csc2nc(CN3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)cc(=O)n12 ZINC000246523122 442789130 /nfs/dbraw/zinc/78/91/30/442789130.db2.gz RJJSYPUKBHRRNU-WFASDCNBSA-N 1 2 348.472 1.217 10 0 EDAELO C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000193944374 442816475 /nfs/dbraw/zinc/81/64/75/442816475.db2.gz DNAIMYKJHTVCET-STQMWFEESA-N 1 2 328.372 1.447 10 0 EDAELO CC[C@H]1CN(C(=O)c2ccc(O)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000182737390 442816592 /nfs/dbraw/zinc/81/65/92/442816592.db2.gz BOYOYDDSWFTPLP-YPMHNXCESA-N 1 2 326.824 1.963 10 0 EDAELO CC[C@H]1CN(C(=O)c2ccc(O)c(Cl)c2)CC[N@H+]1C[C@@H](C)O ZINC000182737390 442816595 /nfs/dbraw/zinc/81/65/95/442816595.db2.gz BOYOYDDSWFTPLP-YPMHNXCESA-N 1 2 326.824 1.963 10 0 EDAELO O[C@H](COc1ccccc1)CN1CC[NH+](CCOCC(F)F)CC1 ZINC000189213073 442898031 /nfs/dbraw/zinc/89/80/31/442898031.db2.gz OJWKXNGVXBWNSF-HNNXBMFYSA-N 1 2 344.402 1.326 10 0 EDAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](O)c1ccc(OC)cc1 ZINC000248621701 442908505 /nfs/dbraw/zinc/90/85/05/442908505.db2.gz AMOCDKYLZWCNOY-DLBZAZTESA-N 1 2 336.432 1.346 10 0 EDAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](O)c1ccc(OC)cc1 ZINC000248621701 442908509 /nfs/dbraw/zinc/90/85/09/442908509.db2.gz AMOCDKYLZWCNOY-DLBZAZTESA-N 1 2 336.432 1.346 10 0 EDAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cncc(Cl)n3)CC2)cn1 ZINC000189348231 442926098 /nfs/dbraw/zinc/92/60/98/442926098.db2.gz WGINXVMZYOZWNQ-UHFFFAOYSA-N 1 2 348.838 1.695 10 0 EDAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cncc(Cl)n3)CC2)cn1 ZINC000189348231 442926101 /nfs/dbraw/zinc/92/61/01/442926101.db2.gz WGINXVMZYOZWNQ-UHFFFAOYSA-N 1 2 348.838 1.695 10 0 EDAELO C[C@@H](CNC(=O)NCCO[C@H]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000248894742 442935253 /nfs/dbraw/zinc/93/52/53/442935253.db2.gz YJXLRMXSBZWBPR-PMPSAXMXSA-N 1 2 327.469 1.602 10 0 EDAELO COC(=O)Cc1cccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000189935081 443032069 /nfs/dbraw/zinc/03/20/69/443032069.db2.gz XFSGZFDPXGGTNR-YOEHRIQHSA-N 1 2 346.427 1.195 10 0 EDAELO O[C@@H](CNc1cncc(OCC2CCCC2)n1)C[NH+]1CCOCC1 ZINC000185115031 443141250 /nfs/dbraw/zinc/14/12/50/443141250.db2.gz TYIOTLOQLSKPHB-HNNXBMFYSA-N 1 2 336.436 1.151 10 0 EDAELO COC[C@@H]1CC(F)(F)C[N@@H+]1C1CCN(C(=O)c2ccncn2)CC1 ZINC000257188252 443120963 /nfs/dbraw/zinc/12/09/63/443120963.db2.gz DVAJVNBGCMWUOB-ZDUSSCGKSA-N 1 2 340.374 1.437 10 0 EDAELO COC[C@@H]1CC(F)(F)C[N@H+]1C1CCN(C(=O)c2ccncn2)CC1 ZINC000257188252 443120967 /nfs/dbraw/zinc/12/09/67/443120967.db2.gz DVAJVNBGCMWUOB-ZDUSSCGKSA-N 1 2 340.374 1.437 10 0 EDAELO CCC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(=O)[O-] ZINC000185044025 443125124 /nfs/dbraw/zinc/12/51/24/443125124.db2.gz WPGJXKPXBGFCNO-CQSZACIVSA-N 1 2 339.461 1.235 10 0 EDAELO COc1cc[nH+]c(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1OC ZINC000190524660 443127923 /nfs/dbraw/zinc/12/79/23/443127923.db2.gz LLWZLIHZCVVLJB-LBPRGKRZSA-N 1 2 347.419 1.669 10 0 EDAELO CC(C)c1nc(NC2CCN(c3nccn(C)c3=O)CC2)cc[nH+]1 ZINC000328642405 444409796 /nfs/dbraw/zinc/40/97/96/444409796.db2.gz QYZBLTNWOJVYNX-UHFFFAOYSA-N 1 2 328.420 1.775 10 0 EDAELO CCc1nn(C)cc1C(=O)N1CCN(CC)[C@H](c2[nH+]ccn2C)C1 ZINC000328618896 444396394 /nfs/dbraw/zinc/39/63/94/444396394.db2.gz FDLLVVOOFHUXJB-HNNXBMFYSA-N 1 2 330.436 1.235 10 0 EDAELO COc1cccc2c(N3CC[C@](O)(Cn4ccnn4)C3)cc[nH+]c12 ZINC000671466136 486548787 /nfs/dbraw/zinc/54/87/87/486548787.db2.gz BZTASBYDZZKBMS-QGZVFWFLSA-N 1 2 325.372 1.476 10 0 EDAELO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000180251317 534155771 /nfs/dbraw/zinc/15/57/71/534155771.db2.gz HOXSUDKZJQUDDZ-BBRMVZONSA-N 1 2 349.406 1.252 10 0 EDAELO C[C@@H]1CN(C(=O)c2cc(F)cc3nccnc32)C[C@@H]1[NH+]1CCOCC1 ZINC000173831183 534403647 /nfs/dbraw/zinc/40/36/47/534403647.db2.gz FUSMPRLTSNWWES-WBMJQRKESA-N 1 2 344.390 1.562 10 0 EDAELO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173960518 534409033 /nfs/dbraw/zinc/40/90/33/534409033.db2.gz LIDFPVUZFQNMBV-CRAIPNDOSA-N 1 2 340.427 1.665 10 0 EDAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000184274942 528485136 /nfs/dbraw/zinc/48/51/36/528485136.db2.gz ANTZKKOCNYGZKV-KRWDZBQOSA-N 1 2 347.459 1.757 10 0 EDAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000184274942 528485139 /nfs/dbraw/zinc/48/51/39/528485139.db2.gz ANTZKKOCNYGZKV-KRWDZBQOSA-N 1 2 347.459 1.757 10 0 EDAELO CCOCCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246797782 535618492 /nfs/dbraw/zinc/61/84/92/535618492.db2.gz JRQORGIONNWYHP-UONOGXRCSA-N 1 2 341.477 1.846 10 0 EDAELO CCOCCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246797782 535618496 /nfs/dbraw/zinc/61/84/96/535618496.db2.gz JRQORGIONNWYHP-UONOGXRCSA-N 1 2 341.477 1.846 10 0 EDAELO CCn1nccc1NC(=O)[C@H]1CC[C@@H](C(N)=O)[N@@H+]1Cc1ccccc1 ZINC000888095147 591025496 /nfs/dbraw/zinc/02/54/96/591025496.db2.gz KBEJYNXAUWQARM-LSDHHAIUSA-N 1 2 341.415 1.360 10 0 EDAELO CCn1nccc1NC(=O)[C@H]1CC[C@@H](C(N)=O)[N@H+]1Cc1ccccc1 ZINC000888095147 591025500 /nfs/dbraw/zinc/02/55/00/591025500.db2.gz KBEJYNXAUWQARM-LSDHHAIUSA-N 1 2 341.415 1.360 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000104792589 595110150 /nfs/dbraw/zinc/11/01/50/595110150.db2.gz ZIKUFEVNANMICW-INIZCTEOSA-N 1 2 329.404 1.002 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000104792589 595110154 /nfs/dbraw/zinc/11/01/54/595110154.db2.gz ZIKUFEVNANMICW-INIZCTEOSA-N 1 2 329.404 1.002 10 0 EDAELO C[C@H]1CN(C(=O)COc2ccc(Cl)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173848925 231051830 /nfs/dbraw/zinc/05/18/30/231051830.db2.gz GRTPZJQIGGGPRQ-XJKSGUPXSA-N 1 2 338.835 1.898 10 0 EDAELO O=C(NC[C@H]1CCc2ccccc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173909233 231067312 /nfs/dbraw/zinc/06/73/12/231067312.db2.gz PRNGVMDSXHITFA-IAGOWNOFSA-N 1 2 329.444 1.833 10 0 EDAELO CCc1nsc(N2CCC[N@@H+](Cc3nnc(C)n3CC)CC2)n1 ZINC000174517204 231229443 /nfs/dbraw/zinc/22/94/43/231229443.db2.gz OJASWIAMAJSMMJ-UHFFFAOYSA-N 1 2 335.481 1.733 10 0 EDAELO CCc1nsc(N2CCC[N@H+](Cc3nnc(C)n3CC)CC2)n1 ZINC000174517204 231229445 /nfs/dbraw/zinc/22/94/45/231229445.db2.gz OJASWIAMAJSMMJ-UHFFFAOYSA-N 1 2 335.481 1.733 10 0 EDAELO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000174589878 231250983 /nfs/dbraw/zinc/25/09/83/231250983.db2.gz OEXDQKNCNUHOEG-ZDUSSCGKSA-N 1 2 344.415 1.536 10 0 EDAELO CCc1nnc([C@@H]2C[N@H+](Cc3ccccc3NC(C)=O)CCO2)[nH]1 ZINC000155227214 529700194 /nfs/dbraw/zinc/70/01/94/529700194.db2.gz BOLHAXGZUJBRBP-HNNXBMFYSA-N 1 2 329.404 1.899 10 0 EDAELO CCc1nnc([C@@H]2C[N@@H+](Cc3ccccc3NC(C)=O)CCO2)[nH]1 ZINC000155227214 529700195 /nfs/dbraw/zinc/70/01/95/529700195.db2.gz BOLHAXGZUJBRBP-HNNXBMFYSA-N 1 2 329.404 1.899 10 0 EDAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000180297020 529701615 /nfs/dbraw/zinc/70/16/15/529701615.db2.gz DSWAZHCSXXVYGZ-MZTACXPWSA-N 1 2 342.436 1.515 10 0 EDAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177971886 529749815 /nfs/dbraw/zinc/74/98/15/529749815.db2.gz UEBRHDOQGNSTPG-ZDUSSCGKSA-N 1 2 339.403 1.823 10 0 EDAELO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CSc2n[nH]c(C)n2)C1 ZINC000174659297 529760860 /nfs/dbraw/zinc/76/08/60/529760860.db2.gz LKRXVWVZUVMPKT-LBPRGKRZSA-N 1 2 334.449 1.828 10 0 EDAELO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CSc2nnc(C)[nH]2)C1 ZINC000174659297 529760861 /nfs/dbraw/zinc/76/08/61/529760861.db2.gz LKRXVWVZUVMPKT-LBPRGKRZSA-N 1 2 334.449 1.828 10 0 EDAELO Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000180246680 233804118 /nfs/dbraw/zinc/80/41/18/233804118.db2.gz MBYJNLFDHJFNPW-XJKSGUPXSA-N 1 2 349.406 1.252 10 0 EDAELO CC[N@@H+]1CCc2c(sc(NC(=O)c3c(C)cnn3C)c2C(N)=O)C1 ZINC000038507125 213212607 /nfs/dbraw/zinc/21/26/07/213212607.db2.gz DHOZEXPGVPONNC-UHFFFAOYSA-N 1 2 347.444 1.519 10 0 EDAELO CC[N@H+]1CCc2c(sc(NC(=O)c3c(C)cnn3C)c2C(N)=O)C1 ZINC000038507125 213212609 /nfs/dbraw/zinc/21/26/09/213212609.db2.gz DHOZEXPGVPONNC-UHFFFAOYSA-N 1 2 347.444 1.519 10 0 EDAELO C[C@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000177835151 540106674 /nfs/dbraw/zinc/10/66/74/540106674.db2.gz GLYFMUNFJSEMFZ-WFASDCNBSA-N 1 2 331.420 1.538 10 0 EDAELO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000184002200 235283035 /nfs/dbraw/zinc/28/30/35/235283035.db2.gz QUNXYBSOVDPLEB-ZJUUUORDSA-N 1 2 330.178 1.105 10 0 EDAELO OC[C@H]1C[C@H](O)C[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000184002200 235283037 /nfs/dbraw/zinc/28/30/37/235283037.db2.gz QUNXYBSOVDPLEB-ZJUUUORDSA-N 1 2 330.178 1.105 10 0 EDAELO C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000054628726 138144058 /nfs/dbraw/zinc/14/40/58/138144058.db2.gz HWIHMPGVKPKVQT-GFCCVEGCSA-N 1 2 339.355 1.295 10 0 EDAELO CCOc1cc(C)nc(N2CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC2)n1 ZINC000106153945 219618059 /nfs/dbraw/zinc/61/80/59/219618059.db2.gz YUVIBRPJRPPEFO-HNNXBMFYSA-N 1 2 349.479 1.466 10 0 EDAELO COCC[NH+]1[C@@H](C)CN(S(=O)(=O)Cc2ccccc2C)C[C@@H]1C ZINC000036124292 213071767 /nfs/dbraw/zinc/07/17/67/213071767.db2.gz JHWZCXUTCOEHNI-HOTGVXAUSA-N 1 2 340.489 1.866 10 0 EDAELO O=C(N[C@H]1CCOc2ccccc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173782620 284215016 /nfs/dbraw/zinc/21/50/16/284215016.db2.gz GIXFIVLWVOXVQB-ZBFHGGJFSA-N 1 2 331.416 1.626 10 0 EDAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000195519788 139019557 /nfs/dbraw/zinc/01/95/57/139019557.db2.gz ASCZFZXFEUEOTI-MELADBBJSA-N 1 2 341.477 1.759 10 0 EDAELO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000245386880 139071392 /nfs/dbraw/zinc/07/13/92/139071392.db2.gz RLCXDCXNQODPTL-KWCYVHTRSA-N 1 2 349.406 1.481 10 0 EDAELO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000245386880 139071393 /nfs/dbraw/zinc/07/13/93/139071393.db2.gz RLCXDCXNQODPTL-KWCYVHTRSA-N 1 2 349.406 1.481 10 0 EDAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)c2ccc(=O)[nH]n2)c2cccs2)CCO1 ZINC000246777355 139121200 /nfs/dbraw/zinc/12/12/00/139121200.db2.gz IVPFMWJJOHWYSV-WCQYABFASA-N 1 2 348.428 1.023 10 0 EDAELO C[C@H]1C[N@H+]([C@H](CNC(=O)c2ccc(=O)[nH]n2)c2cccs2)CCO1 ZINC000246777355 139121201 /nfs/dbraw/zinc/12/12/01/139121201.db2.gz IVPFMWJJOHWYSV-WCQYABFASA-N 1 2 348.428 1.023 10 0 EDAELO C[C@H](O)C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000247771142 139154936 /nfs/dbraw/zinc/15/49/36/139154936.db2.gz WCYIAHXUNPBUMI-BQFCYCMXSA-N 1 2 349.475 1.561 10 0 EDAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCOCC2)c2cccs2)CCO1 ZINC000248341930 139160427 /nfs/dbraw/zinc/16/04/27/139160427.db2.gz JHBCZXJDNGTMHC-ZIAGYGMSSA-N 1 2 339.461 1.552 10 0 EDAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCOCC2)c2cccs2)CCO1 ZINC000248341930 139160428 /nfs/dbraw/zinc/16/04/28/139160428.db2.gz JHBCZXJDNGTMHC-ZIAGYGMSSA-N 1 2 339.461 1.552 10 0 EDAELO CC(C)(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO)c1cccs1 ZINC000248397947 139161920 /nfs/dbraw/zinc/16/19/20/139161920.db2.gz SNVORTBQCWMVSN-TYNCELHUSA-N 1 2 326.462 1.379 10 0 EDAELO CC(C)(C)[C@H](NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO)c1cccs1 ZINC000248397947 139161921 /nfs/dbraw/zinc/16/19/21/139161921.db2.gz SNVORTBQCWMVSN-TYNCELHUSA-N 1 2 326.462 1.379 10 0 EDAELO OC[C@@H]1C[N@H+](Cc2nnnn2CC(F)(F)F)C[C@H]1c1ccsc1 ZINC000248828619 139176835 /nfs/dbraw/zinc/17/68/35/139176835.db2.gz KXVMSHBXFNGAGY-QWRGUYRKSA-N 1 2 347.366 1.505 10 0 EDAELO OC[C@@H]1C[N@@H+](Cc2nnnn2CC(F)(F)F)C[C@H]1c1ccsc1 ZINC000248828619 139176836 /nfs/dbraw/zinc/17/68/36/139176836.db2.gz KXVMSHBXFNGAGY-QWRGUYRKSA-N 1 2 347.366 1.505 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2nncs2)nc[nH+]1 ZINC000174132616 533048233 /nfs/dbraw/zinc/04/82/33/533048233.db2.gz SKWVTHOIWAKION-SECBINFHSA-N 1 2 334.409 1.160 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2nncs2)[nH+]cn1 ZINC000174132616 533048235 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CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CC)C2)o1 ZINC000177352214 442331257 /nfs/dbraw/zinc/33/12/57/442331257.db2.gz KDTAYFQYZFHZNO-NSHDSACASA-N 1 2 330.406 1.219 10 0 EDAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000171638996 442365743 /nfs/dbraw/zinc/36/57/43/442365743.db2.gz HNJLMMUYVBMKRM-AWEZNQCLSA-N 1 2 345.365 1.878 10 0 EDAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000171638996 442365746 /nfs/dbraw/zinc/36/57/46/442365746.db2.gz HNJLMMUYVBMKRM-AWEZNQCLSA-N 1 2 345.365 1.878 10 0 EDAELO CN(C)C(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177750615 442379573 /nfs/dbraw/zinc/37/95/73/442379573.db2.gz MTOGACMPMYASEO-MRXNPFEDSA-N 1 2 326.400 1.890 10 0 EDAELO C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000133652695 442428351 /nfs/dbraw/zinc/42/83/51/442428351.db2.gz FQSGZMFEVDMSBT-GDBMZVCRSA-N 1 2 329.400 1.834 10 0 EDAELO C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000172241207 442428500 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Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)nn1-c1ccc(C)cc1 ZINC000180192434 442556391 /nfs/dbraw/zinc/55/63/91/442556391.db2.gz GWQMDPGWVKDZPV-INIZCTEOSA-N 1 2 328.416 1.550 10 0 EDAELO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)nn1-c1ccc(C)cc1 ZINC000180192434 442556394 /nfs/dbraw/zinc/55/63/94/442556394.db2.gz GWQMDPGWVKDZPV-INIZCTEOSA-N 1 2 328.416 1.550 10 0 EDAELO Cc1nnc([C@H]2C[N@H+](CCC(=O)N(C)c3ccccc3)CCO2)[nH]1 ZINC000135105924 442556853 /nfs/dbraw/zinc/55/68/53/442556853.db2.gz XUTJRRWRPBPLHJ-OAHLLOKOSA-N 1 2 329.404 1.540 10 0 EDAELO Cc1nnc([C@H]2C[N@@H+](CCC(=O)N(C)c3ccccc3)CCO2)[nH]1 ZINC000135105924 442556857 /nfs/dbraw/zinc/55/68/57/442556857.db2.gz XUTJRRWRPBPLHJ-OAHLLOKOSA-N 1 2 329.404 1.540 10 0 EDAELO O=C(c1ccc(OC(F)F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172742168 442529998 /nfs/dbraw/zinc/52/99/98/442529998.db2.gz FENRYZLFCNGXSV-CYBMUJFWSA-N 1 2 326.343 1.835 10 0 EDAELO O=C(c1c(Cl)nc2ccccn21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172747044 442531945 /nfs/dbraw/zinc/53/19/45/442531945.db2.gz CRMMZDAETWKQRF-LBPRGKRZSA-N 1 2 334.807 1.534 10 0 EDAELO Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000180253239 442567481 /nfs/dbraw/zinc/56/74/81/442567481.db2.gz KVEWIDOIBCEMLI-BBRMVZONSA-N 1 2 349.406 1.252 10 0 EDAELO C[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000246515870 442787982 /nfs/dbraw/zinc/78/79/82/442787982.db2.gz QZGRRHSYPHHZKE-MLGOLLRUSA-N 1 2 339.386 1.556 10 0 EDAELO Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000194600057 442920361 /nfs/dbraw/zinc/92/03/61/442920361.db2.gz KBHADWBIBZWUBZ-SFHVURJKSA-N 1 2 342.443 1.609 10 0 EDAELO Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000194600057 442920365 /nfs/dbraw/zinc/92/03/65/442920365.db2.gz KBHADWBIBZWUBZ-SFHVURJKSA-N 1 2 342.443 1.609 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)C2(c3cccc(F)c3)CCOCC2)C1 ZINC000194600139 442920389 /nfs/dbraw/zinc/92/03/89/442920389.db2.gz HRFXCDPGFFTPHK-MRXNPFEDSA-N 1 2 336.407 1.321 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)C2(c3cccc(F)c3)CCOCC2)C1 ZINC000194600139 442920392 /nfs/dbraw/zinc/92/03/92/442920392.db2.gz HRFXCDPGFFTPHK-MRXNPFEDSA-N 1 2 336.407 1.321 10 0 EDAELO Cc1nc2cc(F)cc(C(=O)NC[C@H]3C[N@H+](C)CCO3)c2nc1C ZINC000194605717 442921712 /nfs/dbraw/zinc/92/17/12/442921712.db2.gz ZCMGKFQUKPMIOH-ZDUSSCGKSA-N 1 2 332.379 1.446 10 0 EDAELO Cc1nc2cc(F)cc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)c2nc1C ZINC000194605717 442921717 /nfs/dbraw/zinc/92/17/17/442921717.db2.gz ZCMGKFQUKPMIOH-ZDUSSCGKSA-N 1 2 332.379 1.446 10 0 EDAELO CC(=O)N[C@@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(C)cc1 ZINC000194616189 442924699 /nfs/dbraw/zinc/92/46/99/442924699.db2.gz QFRXWNAEHPTAMU-IRXDYDNUSA-N 1 2 333.432 1.009 10 0 EDAELO CC(=O)N[C@@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(C)cc1 ZINC000194616189 442924702 /nfs/dbraw/zinc/92/47/02/442924702.db2.gz QFRXWNAEHPTAMU-IRXDYDNUSA-N 1 2 333.432 1.009 10 0 EDAELO COC(=O)Cc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000189935095 443032188 /nfs/dbraw/zinc/03/21/88/443032188.db2.gz XFSGZFDPXGGTNR-RHSMWYFYSA-N 1 2 346.427 1.195 10 0 EDAELO FC(F)(F)Cn1nnnc1CN1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000190904786 443206577 /nfs/dbraw/zinc/20/65/77/443206577.db2.gz NNOFIHWLLGOODQ-LLVKDONJSA-N 1 2 341.341 1.564 10 0 EDAELO C[C@@H]1C[N@H+](C)C[C@H](c2nc(-c3cccc(-n4cccn4)n3)no2)O1 ZINC000527545494 448262557 /nfs/dbraw/zinc/26/25/57/448262557.db2.gz VLZUFGHHXBMJLF-DGCLKSJQSA-N 1 2 326.360 1.709 10 0 EDAELO C[C@@H]1C[N@@H+](C)C[C@H](c2nc(-c3cccc(-n4cccn4)n3)no2)O1 ZINC000527545494 448262563 /nfs/dbraw/zinc/26/25/63/448262563.db2.gz VLZUFGHHXBMJLF-DGCLKSJQSA-N 1 2 326.360 1.709 10 0 EDAELO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618019 448447478 /nfs/dbraw/zinc/44/74/78/448447478.db2.gz VBGWMJKCFYZMLX-SFHVURJKSA-N 1 2 343.431 1.055 10 0 EDAELO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618019 448447485 /nfs/dbraw/zinc/44/74/85/448447485.db2.gz VBGWMJKCFYZMLX-SFHVURJKSA-N 1 2 343.431 1.055 10 0 EDAELO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583618019 448447493 /nfs/dbraw/zinc/44/74/93/448447493.db2.gz VBGWMJKCFYZMLX-SFHVURJKSA-N 1 2 343.431 1.055 10 0 EDAELO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583618019 448447498 /nfs/dbraw/zinc/44/74/98/448447498.db2.gz VBGWMJKCFYZMLX-SFHVURJKSA-N 1 2 343.431 1.055 10 0 EDAELO CCc1nnc(C[N@@H+]2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)n1C ZINC000548009079 448964220 /nfs/dbraw/zinc/96/42/20/448964220.db2.gz MZBFXBUBOQEKTH-INIZCTEOSA-N 1 2 348.476 1.380 10 0 EDAELO CCc1nnc(C[N@H+]2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)n1C ZINC000548009079 448964223 /nfs/dbraw/zinc/96/42/23/448964223.db2.gz MZBFXBUBOQEKTH-INIZCTEOSA-N 1 2 348.476 1.380 10 0 EDAELO CCn1cc(O[C@@H]2C[N@H+](Cc3nc4ccccc4n3C)C[C@H]2O)cn1 ZINC000625618282 450453215 /nfs/dbraw/zinc/45/32/15/450453215.db2.gz WDLJKZFYFSQIIB-IAGOWNOFSA-N 1 2 341.415 1.414 10 0 EDAELO CCn1cc(O[C@@H]2C[N@@H+](Cc3nc4ccccc4n3C)C[C@H]2O)cn1 ZINC000625618282 450453219 /nfs/dbraw/zinc/45/32/19/450453219.db2.gz WDLJKZFYFSQIIB-IAGOWNOFSA-N 1 2 341.415 1.414 10 0 EDAELO C[C@@H]1CN(C(=O)c2cccnc2C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000179514298 534432180 /nfs/dbraw/zinc/43/21/80/534432180.db2.gz JBEOSYFPXVLKRF-YPMHNXCESA-N 1 2 343.349 1.893 10 0 EDAELO Cc1noc2ncc(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)cc12 ZINC000173827163 534488828 /nfs/dbraw/zinc/48/88/28/534488828.db2.gz RNYHBGJPSKOLQE-XHDPSFHLSA-N 1 2 330.388 1.324 10 0 EDAELO O=C(NCCn1cc[nH+]c1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000132269054 534519195 /nfs/dbraw/zinc/51/91/95/534519195.db2.gz XXWLKJCJDKTEEB-DOMZBBRYSA-N 1 2 336.342 1.679 10 0 EDAELO CC(=O)c1ccc(NC(=O)CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000246289226 534860691 /nfs/dbraw/zinc/86/06/91/534860691.db2.gz AXRAVAGNBRARQX-RDTXWAMCSA-N 1 2 345.443 1.480 10 0 EDAELO CC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246289226 534860694 /nfs/dbraw/zinc/86/06/94/534860694.db2.gz AXRAVAGNBRARQX-RDTXWAMCSA-N 1 2 345.443 1.480 10 0 EDAELO CC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246289226 534860697 /nfs/dbraw/zinc/86/06/97/534860697.db2.gz AXRAVAGNBRARQX-RDTXWAMCSA-N 1 2 345.443 1.480 10 0 EDAELO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171615803 527063808 /nfs/dbraw/zinc/06/38/08/527063808.db2.gz MHSBUEHAWQQZTK-INIZCTEOSA-N 1 2 342.403 1.512 10 0 EDAELO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171615803 527063813 /nfs/dbraw/zinc/06/38/13/527063813.db2.gz MHSBUEHAWQQZTK-INIZCTEOSA-N 1 2 342.403 1.512 10 0 EDAELO CCC[NH+]1CCN(S(=O)(=O)c2cc(C)c(Cl)c(N)c2)CC1 ZINC000168699816 528249543 /nfs/dbraw/zinc/24/95/43/528249543.db2.gz AGCHHJYPQCUTDO-UHFFFAOYSA-N 1 2 331.869 1.947 10 0 EDAELO CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)CCO)cc1)[NH+](C)C ZINC000183936016 528848890 /nfs/dbraw/zinc/84/88/90/528848890.db2.gz HBIBNZUPLZEWFY-AWEZNQCLSA-N 1 2 328.434 1.121 10 0 EDAELO CC(C)Oc1cc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccn1 ZINC000151841584 534956600 /nfs/dbraw/zinc/95/66/00/534956600.db2.gz QEZHVJYVFVRXNT-INIZCTEOSA-N 1 2 348.447 1.485 10 0 EDAELO CC[C@@H]1CN(CC(=O)NOCc2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000247815197 535849811 /nfs/dbraw/zinc/84/98/11/535849811.db2.gz VYEHIEJMPPJVBY-DOTOQJQBSA-N 1 2 335.448 1.011 10 0 EDAELO CC[C@@H]1CN(CC(=O)NOCc2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000247815197 535849816 /nfs/dbraw/zinc/84/98/16/535849816.db2.gz VYEHIEJMPPJVBY-DOTOQJQBSA-N 1 2 335.448 1.011 10 0 EDAELO COC[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(F)c(F)c1 ZINC000245624249 536699336 /nfs/dbraw/zinc/69/93/36/536699336.db2.gz XTINHBNLJJFWRK-SWLSCSKDSA-N 1 2 343.374 1.282 10 0 EDAELO COC[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(F)c(F)c1 ZINC000245624249 536699340 /nfs/dbraw/zinc/69/93/40/536699340.db2.gz XTINHBNLJJFWRK-SWLSCSKDSA-N 1 2 343.374 1.282 10 0 EDAELO CO[C@@H]1CCCCN(CC(=O)N2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000888076317 590930498 /nfs/dbraw/zinc/93/04/98/590930498.db2.gz YSIDLTBIGVZMDR-OAHLLOKOSA-N 1 2 334.420 1.074 10 0 EDAELO Cn1cc([C@@H]2CC[N@H+](CN3C(=O)NC(C4CC4)(C4CC4)C3=O)C2)cn1 ZINC000116258666 595862880 /nfs/dbraw/zinc/86/28/80/595862880.db2.gz RUQVVFPRRGFZHP-GFCCVEGCSA-N 1 2 343.431 1.278 10 0 EDAELO Cn1cc([C@@H]2CC[N@@H+](CN3C(=O)NC(C4CC4)(C4CC4)C3=O)C2)cn1 ZINC000116258666 595862883 /nfs/dbraw/zinc/86/28/83/595862883.db2.gz RUQVVFPRRGFZHP-GFCCVEGCSA-N 1 2 343.431 1.278 10 0 EDAELO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112746481 596220343 /nfs/dbraw/zinc/22/03/43/596220343.db2.gz IKFXNXNAGXSJDL-AWEZNQCLSA-N 1 2 337.387 1.278 10 0 EDAELO CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000052626216 214137468 /nfs/dbraw/zinc/13/74/68/214137468.db2.gz NSDZIECCHJMHKN-CQSZACIVSA-N 1 2 333.432 1.618 10 0 EDAELO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1N(C)C ZINC000173796301 231036564 /nfs/dbraw/zinc/03/65/64/231036564.db2.gz ADHRXZBPEYQQCE-INIZCTEOSA-N 1 2 332.448 1.999 10 0 EDAELO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(C)c1 ZINC000174007627 231098020 /nfs/dbraw/zinc/09/80/20/231098020.db2.gz IUIJVAHGBQSGFC-INIZCTEOSA-N 1 2 345.443 1.483 10 0 EDAELO CCc1ccccc1S(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000187390567 529606151 /nfs/dbraw/zinc/60/61/51/529606151.db2.gz ABWSUKSNVLQSOX-GOEBONIOSA-N 1 2 338.473 1.590 10 0 EDAELO CN(c1cccnn1)C1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000105806761 219534524 /nfs/dbraw/zinc/53/45/24/219534524.db2.gz LEYGSOPGXPJDDI-QGZVFWFLSA-N 1 2 343.406 1.743 10 0 EDAELO CC(C)n1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C)C3)n1 ZINC000038508735 213212777 /nfs/dbraw/zinc/21/27/77/213212777.db2.gz WIYZIRFFCOBFKH-UHFFFAOYSA-N 1 2 347.444 1.865 10 0 EDAELO CC(C)n1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C)C3)n1 ZINC000038508735 213212781 /nfs/dbraw/zinc/21/27/81/213212781.db2.gz WIYZIRFFCOBFKH-UHFFFAOYSA-N 1 2 347.444 1.865 10 0 EDAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ncc(Br)s2)C[C@H]1C ZINC000189442856 540165140 /nfs/dbraw/zinc/16/51/40/540165140.db2.gz CFVUSSYCJWZGPM-RKDXNWHRSA-N 1 2 348.266 1.433 10 0 EDAELO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ncc(Br)s2)C[C@H]1C ZINC000189442856 540165142 /nfs/dbraw/zinc/16/51/42/540165142.db2.gz CFVUSSYCJWZGPM-RKDXNWHRSA-N 1 2 348.266 1.433 10 0 EDAELO Cn1nc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC(F)F ZINC000184427504 235395377 /nfs/dbraw/zinc/39/53/77/235395377.db2.gz QWWUXUAGVOPOKZ-SNVBAGLBSA-N 1 2 325.319 1.523 10 0 EDAELO C[C@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)[NH+]1CCOCC1 ZINC000047639820 138122633 /nfs/dbraw/zinc/12/26/33/138122633.db2.gz PXBWJVOFRQTVRG-KGLIPLIRSA-N 1 2 334.420 1.034 10 0 EDAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000105283308 138301302 /nfs/dbraw/zinc/30/13/02/138301302.db2.gz YVXXDHVGQWRXSI-ZCFIWIBFSA-N 1 2 325.316 1.009 10 0 EDAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000105283308 138301303 /nfs/dbraw/zinc/30/13/03/138301303.db2.gz YVXXDHVGQWRXSI-ZCFIWIBFSA-N 1 2 325.316 1.009 10 0 EDAELO O=C(NC1C[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000187983488 236370170 /nfs/dbraw/zinc/37/01/70/236370170.db2.gz 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/nfs/dbraw/zinc/19/44/19/139194419.db2.gz YCFKUKXZKGJXLD-QZTJIDSGSA-N 1 2 334.460 1.516 10 0 EDAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](CO)Cc1ccc(C)cc1 ZINC000249504406 139194420 /nfs/dbraw/zinc/19/44/20/139194420.db2.gz YCFKUKXZKGJXLD-QZTJIDSGSA-N 1 2 334.460 1.516 10 0 EDAELO C[N@@H+](CC(=O)c1cnccn1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075488 218272767 /nfs/dbraw/zinc/27/27/67/218272767.db2.gz XHVDDGNPOIGMRC-ZDUSSCGKSA-N 1 2 334.420 1.848 10 0 EDAELO C[N@H+](CC(=O)c1cnccn1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075488 218272768 /nfs/dbraw/zinc/27/27/68/218272768.db2.gz XHVDDGNPOIGMRC-ZDUSSCGKSA-N 1 2 334.420 1.848 10 0 EDAELO COc1cccc(Cl)c1CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000152974383 224039661 /nfs/dbraw/zinc/03/96/61/224039661.db2.gz ZUSNUVMNLQBQHD-LBPRGKRZSA-N 1 2 326.824 1.728 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ccccc2)nc[nH+]1 ZINC000173898708 533051276 /nfs/dbraw/zinc/05/12/76/533051276.db2.gz XSUYDAGBUVRYPU-CYBMUJFWSA-N 1 2 347.444 1.466 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ccccc2)[nH+]cn1 ZINC000173898708 533051282 /nfs/dbraw/zinc/05/12/82/533051282.db2.gz XSUYDAGBUVRYPU-CYBMUJFWSA-N 1 2 347.444 1.466 10 0 EDAELO Cc1ccc([C@H]2COCCN2C(=O)NC[C@H](C)[NH+]2CCOCC2)o1 ZINC000116940513 221013491 /nfs/dbraw/zinc/01/34/91/221013491.db2.gz MYEWBHNOZUIDDY-DZGCQCFKSA-N 1 2 337.420 1.392 10 0 EDAELO Cc1cnn(CCNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000118058357 221110985 /nfs/dbraw/zinc/11/09/85/221110985.db2.gz DQESVAGMJLWYMN-UHFFFAOYSA-N 1 2 328.420 1.686 10 0 EDAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1Cl ZINC000118115314 221121914 /nfs/dbraw/zinc/12/19/14/221121914.db2.gz FBXLUJUUFMPJBP-LBPRGKRZSA-N 1 2 325.796 1.034 10 0 EDAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1Cl ZINC000118115314 221121917 /nfs/dbraw/zinc/12/19/17/221121917.db2.gz FBXLUJUUFMPJBP-LBPRGKRZSA-N 1 2 325.796 1.034 10 0 EDAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccc(F)c(Cl)c1 ZINC000119327113 221295653 /nfs/dbraw/zinc/29/56/53/221295653.db2.gz CTZSKYBVAGVPCD-LLVKDONJSA-N 1 2 331.775 1.294 10 0 EDAELO O=C(C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1nc2c(s1)CCC2 ZINC000333015314 141250362 /nfs/dbraw/zinc/25/03/62/141250362.db2.gz BXFVARAXUULZLB-JTQLQIEISA-N 1 2 332.433 1.568 10 0 EDAELO O=C(C[N@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1nc2c(s1)CCC2 ZINC000333015314 141250363 /nfs/dbraw/zinc/25/03/63/141250363.db2.gz BXFVARAXUULZLB-JTQLQIEISA-N 1 2 332.433 1.568 10 0 EDAELO Cn1cnc2cc(C(=O)N[C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cnc21 ZINC000333422629 141315713 /nfs/dbraw/zinc/31/57/13/141315713.db2.gz IRMNWPASYJZCDE-IUODEOHRSA-N 1 2 340.387 1.352 10 0 EDAELO CS[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247204607 286695225 /nfs/dbraw/zinc/69/52/25/286695225.db2.gz UPDRLRQMVYAATI-RRFJBIMHSA-N 1 2 327.494 1.777 10 0 EDAELO Cc1c(N)c[nH+]c(N(C)CC(=O)NCC(C)C)c1Br ZINC000165617364 226130313 /nfs/dbraw/zinc/13/03/13/226130313.db2.gz GGLGGTKITALYFG-UHFFFAOYSA-N 1 2 329.242 1.943 10 0 EDAELO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N)cc2Br)C1 ZINC000167646638 226195319 /nfs/dbraw/zinc/19/53/19/226195319.db2.gz NZOPQPYCMAYNMM-NXEZZACHSA-N 1 2 342.237 1.673 10 0 EDAELO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N)cc2Br)C1 ZINC000167646638 226195323 /nfs/dbraw/zinc/19/53/23/226195323.db2.gz NZOPQPYCMAYNMM-NXEZZACHSA-N 1 2 342.237 1.673 10 0 EDAELO O=C(c1cc(C2CC2)n[nH]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171558491 227138730 /nfs/dbraw/zinc/13/87/30/227138730.db2.gz BREBABCCCTVJKL-SFHVURJKSA-N 1 2 340.427 1.779 10 0 EDAELO O=C(Cc1cn2ccccc2[nH+]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171883125 227332812 /nfs/dbraw/zinc/33/28/12/227332812.db2.gz XDNAFHIPGPAWNK-HNNXBMFYSA-N 1 2 325.372 1.001 10 0 EDAELO CC(=O)Nc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1C ZINC000188581353 277085447 /nfs/dbraw/zinc/08/54/47/277085447.db2.gz MYEDQWJRBYJEAN-ACJLOTCBSA-N 1 2 345.443 1.746 10 0 EDAELO CC(C)[C@@H]1N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@]12CCCO2 ZINC000333957484 280043668 /nfs/dbraw/zinc/04/36/68/280043668.db2.gz IDEWUGCCUJTXNU-MAUKXSAKSA-N 1 2 339.480 1.696 10 0 EDAELO C[C@H](CC(=O)NCC(F)(F)C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000190294550 298299797 /nfs/dbraw/zinc/29/97/97/298299797.db2.gz VVNZAJOWEHJPEM-SECBINFHSA-N 1 2 338.351 1.088 10 0 EDAELO O=C1CCCCCN1CCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000105786266 441269166 /nfs/dbraw/zinc/26/91/66/441269166.db2.gz YVFNTEJIYVKGMM-HNNXBMFYSA-N 1 2 347.463 1.642 10 0 EDAELO O=C1CCCCCN1CCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000105786266 441269171 /nfs/dbraw/zinc/26/91/71/441269171.db2.gz YVFNTEJIYVKGMM-HNNXBMFYSA-N 1 2 347.463 1.642 10 0 EDAELO Cc1ncc(C[NH+]2CCN(CC(=O)N3CCC[C@@H](C)C3)CC2)s1 ZINC000105813932 441276842 /nfs/dbraw/zinc/27/68/42/441276842.db2.gz KIPQCHQMHLLENS-CQSZACIVSA-N 1 2 336.505 1.828 10 0 EDAELO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1nc(C(C)(C)C)no1 ZINC000073652610 441340139 /nfs/dbraw/zinc/34/01/39/441340139.db2.gz MQQSFKCESOVQOH-NWDGAFQWSA-N 1 2 339.440 1.448 10 0 EDAELO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868981 441298588 /nfs/dbraw/zinc/29/85/88/441298588.db2.gz CRYDRCCENLEWGM-INIZCTEOSA-N 1 2 341.459 1.955 10 0 EDAELO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868981 441298593 /nfs/dbraw/zinc/29/85/93/441298593.db2.gz CRYDRCCENLEWGM-INIZCTEOSA-N 1 2 341.459 1.955 10 0 EDAELO Cc1cc(C)n(C[C@@H]2C[N@H+](CC(=O)N(CC(C)C)C3CC3)CCO2)n1 ZINC000105893842 441311199 /nfs/dbraw/zinc/31/11/99/441311199.db2.gz AJMPYNVLVJWXFC-SFHVURJKSA-N 1 2 348.491 1.848 10 0 EDAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](CC(=O)N(CC(C)C)C3CC3)CCO2)n1 ZINC000105893842 441311200 /nfs/dbraw/zinc/31/12/00/441311200.db2.gz AJMPYNVLVJWXFC-SFHVURJKSA-N 1 2 348.491 1.848 10 0 EDAELO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCN(Cc2nccn2C)[C@H](C)C1 ZINC000106660201 441362349 /nfs/dbraw/zinc/36/23/49/441362349.db2.gz YVRPJFVYDBODQD-IAGOWNOFSA-N 1 2 347.507 1.717 10 0 EDAELO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCN(Cc2nccn2C)[C@H](C)C1 ZINC000106660201 441362355 /nfs/dbraw/zinc/36/23/55/441362355.db2.gz YVRPJFVYDBODQD-IAGOWNOFSA-N 1 2 347.507 1.717 10 0 EDAELO C[C@@H]1CCCN(c2cc(NCC(C)(C)NS(C)(=O)=O)[nH+]cn2)C1 ZINC000109321799 441495795 /nfs/dbraw/zinc/49/57/95/441495795.db2.gz LWWKSNNWXBKTPF-GFCCVEGCSA-N 1 2 341.481 1.453 10 0 EDAELO C[C@@H]1CCCN(c2cc(NCC(C)(C)NS(C)(=O)=O)nc[nH+]2)C1 ZINC000109321799 441495797 /nfs/dbraw/zinc/49/57/97/441495797.db2.gz LWWKSNNWXBKTPF-GFCCVEGCSA-N 1 2 341.481 1.453 10 0 EDAELO Nc1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[nH+]1 ZINC000031425132 441525740 /nfs/dbraw/zinc/52/57/40/441525740.db2.gz HTVVZQSPJYVEDP-BHDSKKPTSA-N 1 2 335.433 1.328 10 0 EDAELO COc1ccccc1C[NH+]1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000076497426 441652645 /nfs/dbraw/zinc/65/26/45/441652645.db2.gz ILEIPGWYGJFMIE-QGZVFWFLSA-N 1 2 336.476 1.989 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC2(Cl)Cl)nc[nH+]1 ZINC000173421084 441743547 /nfs/dbraw/zinc/74/35/47/441743547.db2.gz UEKHRMSTAMTROO-ZJUUUORDSA-N 1 2 344.246 1.797 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC2(Cl)Cl)[nH+]cn1 ZINC000173421084 441743551 /nfs/dbraw/zinc/74/35/51/441743551.db2.gz UEKHRMSTAMTROO-ZJUUUORDSA-N 1 2 344.246 1.797 10 0 EDAELO CCCCO[C@H](C)C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173422219 441746013 /nfs/dbraw/zinc/74/60/13/441746013.db2.gz DOQQJCGHRYEVHP-ZIAGYGMSSA-N 1 2 335.452 1.809 10 0 EDAELO CCCCO[C@H](C)C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173422219 441746015 /nfs/dbraw/zinc/74/60/15/441746015.db2.gz DOQQJCGHRYEVHP-ZIAGYGMSSA-N 1 2 335.452 1.809 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(C)noc2C)nc[nH+]1 ZINC000173430333 441746884 /nfs/dbraw/zinc/74/68/84/441746884.db2.gz CPBLWBAQROYUKO-GFCCVEGCSA-N 1 2 330.392 1.522 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(C)noc2C)[nH+]cn1 ZINC000173430333 441746891 /nfs/dbraw/zinc/74/68/91/441746891.db2.gz CPBLWBAQROYUKO-GFCCVEGCSA-N 1 2 330.392 1.522 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2sccc2OC)nc[nH+]1 ZINC000173441887 441752536 /nfs/dbraw/zinc/75/25/36/441752536.db2.gz WZJWGTRPKTZMLU-LLVKDONJSA-N 1 2 347.444 1.987 10 0 EDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2sccc2OC)[nH+]cn1 ZINC000173441887 441752543 /nfs/dbraw/zinc/75/25/43/441752543.db2.gz WZJWGTRPKTZMLU-LLVKDONJSA-N 1 2 347.444 1.987 10 0 EDAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Cl)n2)nc[nH+]1 ZINC000173447447 441753951 /nfs/dbraw/zinc/75/39/51/441753951.db2.gz KDFFHSOLCFBPSI-NSHDSACASA-N 1 2 346.822 1.966 10 0 EDAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Cl)n2)[nH+]cn1 ZINC000173447447 441753958 /nfs/dbraw/zinc/75/39/58/441753958.db2.gz KDFFHSOLCFBPSI-NSHDSACASA-N 1 2 346.822 1.966 10 0 EDAELO CC(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)s1 ZINC000137284875 441762284 /nfs/dbraw/zinc/76/22/84/441762284.db2.gz GOUGKKIJRKYQRU-LBPRGKRZSA-N 1 2 349.464 1.604 10 0 EDAELO CC(C)c1nnc(NC(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)s1 ZINC000137284875 441762290 /nfs/dbraw/zinc/76/22/90/441762290.db2.gz GOUGKKIJRKYQRU-LBPRGKRZSA-N 1 2 349.464 1.604 10 0 EDAELO C[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173965359 441869568 /nfs/dbraw/zinc/86/95/68/441869568.db2.gz 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