smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274954997 929075911 /nfs/dbraw/zinc/07/59/11/929075911.db2.gz HUPONYLMFXGPGH-UHFFFAOYSA-N 1 2 355.873 3.519 20 30 FHEDLO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000187206975 929540207 /nfs/dbraw/zinc/54/02/07/929540207.db2.gz HYEKVVFLUJSOPA-INIZCTEOSA-N 1 2 368.868 3.766 20 30 FHEDLO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000187206975 929540217 /nfs/dbraw/zinc/54/02/17/929540217.db2.gz HYEKVVFLUJSOPA-INIZCTEOSA-N 1 2 368.868 3.766 20 30 FHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000255043626 929547396 /nfs/dbraw/zinc/54/73/96/929547396.db2.gz XXECUNMWRVSJIM-UNOMPAQXSA-N 1 2 359.451 3.693 20 30 FHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(F)(c3ccccn3)CC2)cc1Cl ZINC000583348657 937365073 /nfs/dbraw/zinc/36/50/73/937365073.db2.gz ZFOVYXGXVRGSQY-UHFFFAOYSA-N 1 2 372.831 3.506 20 30 FHEDLO CCCNc1ccc(C#N)cc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000583411838 937425302 /nfs/dbraw/zinc/42/53/02/937425302.db2.gz FBIBXHFQEABHGO-UHFFFAOYSA-N 1 2 373.460 3.806 20 30 FHEDLO COc1ccc(C[NH2+][C@@H](C)c2nc(Br)cs2)cc1C#N ZINC000834689060 931390128 /nfs/dbraw/zinc/39/01/28/931390128.db2.gz IOUAWHCRUJMBOX-VIFPVBQESA-N 1 2 352.257 3.637 20 30 FHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)CC2CCCCC2)c1=S ZINC000177916848 931578820 /nfs/dbraw/zinc/57/88/20/931578820.db2.gz QHVZXSRNVIZUDK-UHFFFAOYSA-N 1 2 358.515 3.527 20 30 FHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)CC2CCCCC2)c1=S ZINC000177916848 931578823 /nfs/dbraw/zinc/57/88/23/931578823.db2.gz QHVZXSRNVIZUDK-UHFFFAOYSA-N 1 2 358.515 3.527 20 30 FHEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000126643099 932309830 /nfs/dbraw/zinc/30/98/30/932309830.db2.gz JBVJSGLCRUYSIJ-SUMWQHHRSA-N 1 2 373.453 3.549 20 30 FHEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000126643099 932309835 /nfs/dbraw/zinc/30/98/35/932309835.db2.gz JBVJSGLCRUYSIJ-SUMWQHHRSA-N 1 2 373.453 3.549 20 30 FHEDLO N#CCC[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000533818608 932662334 /nfs/dbraw/zinc/66/23/34/932662334.db2.gz RJLZJTLRDIXBJR-LJQANCHMSA-N 1 2 368.506 3.620 20 30 FHEDLO Cc1ccc(CCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000430763338 933217268 /nfs/dbraw/zinc/21/72/68/933217268.db2.gz ASXJDQJDMIEQPO-UHFFFAOYSA-N 1 2 367.518 3.595 20 30 FHEDLO CCc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000610582157 933331670 /nfs/dbraw/zinc/33/16/70/933331670.db2.gz DGALVLJQXNERCO-HOTGVXAUSA-N 1 2 355.463 3.718 20 30 FHEDLO CCc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000610582157 933331680 /nfs/dbraw/zinc/33/16/80/933331680.db2.gz DGALVLJQXNERCO-HOTGVXAUSA-N 1 2 355.463 3.718 20 30 FHEDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(OC)c1 ZINC000510748030 933639106 /nfs/dbraw/zinc/63/91/06/933639106.db2.gz DXJIQWWZCNLJQZ-FQEVSTJZSA-N 1 2 372.852 3.788 20 30 FHEDLO CCOc1ccc(C2=CC[N@H+](CC(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000091800792 933653152 /nfs/dbraw/zinc/65/31/52/933653152.db2.gz JDJPZKRAUYIERJ-UHFFFAOYSA-N 1 2 367.493 3.517 20 30 FHEDLO CCOc1ccc(C2=CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000091800792 933653156 /nfs/dbraw/zinc/65/31/56/933653156.db2.gz JDJPZKRAUYIERJ-UHFFFAOYSA-N 1 2 367.493 3.517 20 30 FHEDLO C[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)C[C@@H]1n1cc[nH+]c1 ZINC000610726474 933993145 /nfs/dbraw/zinc/99/31/45/933993145.db2.gz VPBLEACIQMMIRP-LRDDRELGSA-N 1 2 353.376 3.669 20 30 FHEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(F)(C#N)CC1 ZINC000510906319 934006092 /nfs/dbraw/zinc/00/60/92/934006092.db2.gz YGPNLWDPVFUCAC-JKSUJKDBSA-N 1 2 353.441 3.733 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](Cc2ccccc2)[C@H](C)CCO)c1C#N ZINC000091085076 934556977 /nfs/dbraw/zinc/55/69/77/934556977.db2.gz DKIQVNKDAXPMCW-GOSISDBHSA-N 1 2 374.488 3.826 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](Cc2ccccc2)[C@H](C)CCO)c1C#N ZINC000091085076 934556986 /nfs/dbraw/zinc/55/69/86/934556986.db2.gz DKIQVNKDAXPMCW-GOSISDBHSA-N 1 2 374.488 3.826 20 30 FHEDLO COC(=O)c1ccc(F)c(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000611574157 935221847 /nfs/dbraw/zinc/22/18/47/935221847.db2.gz KGCXCQTUNUSDQQ-GHMZBOCLSA-N 1 2 373.268 3.785 20 30 FHEDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)[nH]1 ZINC000277534046 935481710 /nfs/dbraw/zinc/48/17/10/935481710.db2.gz YOUJANCAEGIFIQ-CABCVRRESA-N 1 2 371.485 3.860 20 30 FHEDLO Cc1cnc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)s1 ZINC000277542240 935506423 /nfs/dbraw/zinc/50/64/23/935506423.db2.gz VLQKGKJSKRKZBD-AWEZNQCLSA-N 1 2 354.479 3.530 20 30 FHEDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000582332589 935535505 /nfs/dbraw/zinc/53/55/05/935535505.db2.gz TXUFOJMJIWIHOD-INIZCTEOSA-N 1 2 354.372 3.883 20 30 FHEDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000582332589 935535508 /nfs/dbraw/zinc/53/55/08/935535508.db2.gz TXUFOJMJIWIHOD-INIZCTEOSA-N 1 2 354.372 3.883 20 30 FHEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000516677404 945122345 /nfs/dbraw/zinc/12/23/45/945122345.db2.gz YOJMPYXGBGUZOK-UHFFFAOYSA-N 1 2 359.433 3.995 20 30 FHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000277709414 935844386 /nfs/dbraw/zinc/84/43/86/935844386.db2.gz SBCMSSOTCNDYEO-LJQANCHMSA-N 1 2 367.497 3.912 20 30 FHEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000582580759 935850029 /nfs/dbraw/zinc/85/00/29/935850029.db2.gz SVJWQYAUUJQGJM-IUODEOHRSA-N 1 2 365.264 3.522 20 30 FHEDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000582664442 935920447 /nfs/dbraw/zinc/92/04/47/935920447.db2.gz BFUVHISTZRKRKU-CQSZACIVSA-N 1 2 367.449 3.978 20 30 FHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)c1C#N ZINC000548754506 935966445 /nfs/dbraw/zinc/96/64/45/935966445.db2.gz QKLIOCLWHPKSOO-CHWSQXEVSA-N 1 2 354.429 3.526 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)c(C(F)(F)F)c1 ZINC000934635353 936076816 /nfs/dbraw/zinc/07/68/16/936076816.db2.gz UUULWBHVABBQGN-KRWDZBQOSA-N 1 2 368.399 3.595 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC2CCOCC2)c(C(F)(F)F)c1 ZINC000934635353 936076820 /nfs/dbraw/zinc/07/68/20/936076820.db2.gz UUULWBHVABBQGN-KRWDZBQOSA-N 1 2 368.399 3.595 20 30 FHEDLO C[N@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1ccc(C#N)cc1 ZINC000046527414 936088844 /nfs/dbraw/zinc/08/88/44/936088844.db2.gz FGFCMZXVZZAPTL-UHFFFAOYSA-N 1 2 361.417 3.943 20 30 FHEDLO C[N@@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1ccc(C#N)cc1 ZINC000046527414 936088848 /nfs/dbraw/zinc/08/88/48/936088848.db2.gz FGFCMZXVZZAPTL-UHFFFAOYSA-N 1 2 361.417 3.943 20 30 FHEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000582821704 936175646 /nfs/dbraw/zinc/17/56/46/936175646.db2.gz WBSBCBROFXOVCJ-AZUAARDMSA-N 1 2 352.482 3.991 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCOc3ccccc31)C2 ZINC000329291352 938328377 /nfs/dbraw/zinc/32/83/77/938328377.db2.gz QVWUUKYPADCSNU-GOEBONIOSA-N 1 2 368.481 3.523 20 30 FHEDLO CCOC(=O)c1cc(C#N)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C)c1O ZINC001213090170 938356210 /nfs/dbraw/zinc/35/62/10/938356210.db2.gz XQNQWTGEWRFYKQ-UHFFFAOYSA-N 1 2 362.389 3.883 20 30 FHEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000329430773 938405258 /nfs/dbraw/zinc/40/52/58/938405258.db2.gz KILNRKPFODOHBU-IEBWSBKVSA-N 1 2 352.482 3.634 20 30 FHEDLO C=CCn1c2ccccc2n(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1=S ZINC000246980025 938424222 /nfs/dbraw/zinc/42/42/22/938424222.db2.gz OWPPBSUHVDABKD-IAGOWNOFSA-N 1 2 361.536 3.522 20 30 FHEDLO C=CCn1c2ccccc2n(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1=S ZINC000246980025 938424224 /nfs/dbraw/zinc/42/42/24/938424224.db2.gz OWPPBSUHVDABKD-IAGOWNOFSA-N 1 2 361.536 3.522 20 30 FHEDLO C[N@@H+]1CCCc2cc(NCc3cn(CCC#N)nc3-c3ccncc3)ccc21 ZINC000278583226 938554315 /nfs/dbraw/zinc/55/43/15/938554315.db2.gz GAQKLIGUJZZRKI-UHFFFAOYSA-N 1 2 372.476 3.853 20 30 FHEDLO C[N@H+]1CCCc2cc(NCc3cn(CCC#N)nc3-c3ccncc3)ccc21 ZINC000278583226 938554319 /nfs/dbraw/zinc/55/43/19/938554319.db2.gz GAQKLIGUJZZRKI-UHFFFAOYSA-N 1 2 372.476 3.853 20 30 FHEDLO O=C1c2ccc(Br)cc2OC/C1=C/c1cccc2[nH+]ccn21 ZINC000255642163 939023272 /nfs/dbraw/zinc/02/32/72/939023272.db2.gz WUAPEZBSAKPHMV-FLIBITNWSA-N 1 2 355.191 3.756 20 30 FHEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)on1 ZINC000472444119 940161792 /nfs/dbraw/zinc/16/17/92/940161792.db2.gz ZRHHTYDNTGVRNC-IBGZPJMESA-N 1 2 362.433 3.871 20 30 FHEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)on1 ZINC000472444119 940161794 /nfs/dbraw/zinc/16/17/94/940161794.db2.gz ZRHHTYDNTGVRNC-IBGZPJMESA-N 1 2 362.433 3.871 20 30 FHEDLO Cc1c(C(=O)/C=C/c2cccc3[nH+]ccn32)cnn1-c1ccc(C#N)cc1 ZINC000180314754 940960102 /nfs/dbraw/zinc/96/01/02/940960102.db2.gz RKUFWXREVIWGJQ-MDZDMXLPSA-N 1 2 353.385 3.596 20 30 FHEDLO Cc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(N(C)C)[nH+]1 ZINC000162397439 941028143 /nfs/dbraw/zinc/02/81/43/941028143.db2.gz PQGAGAQATHUYDJ-MJGOQNOKSA-N 1 2 363.465 3.760 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549079686 941065130 /nfs/dbraw/zinc/06/51/30/941065130.db2.gz IMTRQXCTUHNVCQ-FQEVSTJZSA-N 1 2 358.388 3.655 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549079686 941065132 /nfs/dbraw/zinc/06/51/32/941065132.db2.gz IMTRQXCTUHNVCQ-FQEVSTJZSA-N 1 2 358.388 3.655 20 30 FHEDLO O=C(c1ccccc1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177016388 941094084 /nfs/dbraw/zinc/09/40/84/941094084.db2.gz KSMZVSHQDIEXBD-UHFFFAOYSA-N 1 2 352.865 3.540 20 30 FHEDLO O=C(c1ccccc1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177016388 941094086 /nfs/dbraw/zinc/09/40/86/941094086.db2.gz KSMZVSHQDIEXBD-UHFFFAOYSA-N 1 2 352.865 3.540 20 30 FHEDLO N#CCCC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000163601738 941156038 /nfs/dbraw/zinc/15/60/38/941156038.db2.gz RKFXZPYCKOJNTE-UHFFFAOYSA-N 1 2 363.505 3.714 20 30 FHEDLO C=C(C)COc1cc(C[NH2+]Cc2nc(-c3ccccc3)no2)ccc1OC ZINC000472649746 941469603 /nfs/dbraw/zinc/46/96/03/941469603.db2.gz VDDVOXOIGOZPHN-UHFFFAOYSA-N 1 2 365.433 3.990 20 30 FHEDLO CC(C)(CCC#N)CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000377028868 941496482 /nfs/dbraw/zinc/49/64/82/941496482.db2.gz DTBCFIZLNSPTGF-RBUKOAKNSA-N 1 2 365.481 3.741 20 30 FHEDLO C[C@@H](c1cccc(NC(=O)/C=C\c2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000729408452 941747827 /nfs/dbraw/zinc/74/78/27/941747827.db2.gz HQWOIWWVAJWHTD-IBSYWUHOSA-N 1 2 361.445 3.603 20 30 FHEDLO C=CCC[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000433764385 941882163 /nfs/dbraw/zinc/88/21/63/941882163.db2.gz HAFBMFFOUHYUTJ-RTBURBONSA-N 1 2 352.482 3.947 20 30 FHEDLO C=CCC[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000433764385 941882168 /nfs/dbraw/zinc/88/21/68/941882168.db2.gz HAFBMFFOUHYUTJ-RTBURBONSA-N 1 2 352.482 3.947 20 30 FHEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000053154118 941959855 /nfs/dbraw/zinc/95/98/55/941959855.db2.gz FJGWEHNMWGENOJ-HNNXBMFYSA-N 1 2 356.495 3.527 20 30 FHEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000053154118 941959859 /nfs/dbraw/zinc/95/98/59/941959859.db2.gz FJGWEHNMWGENOJ-HNNXBMFYSA-N 1 2 356.495 3.527 20 30 FHEDLO C=CCOc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000433963370 942019465 /nfs/dbraw/zinc/01/94/65/942019465.db2.gz XNGRFWJVQDDVSL-UHFFFAOYSA-N 1 2 365.477 3.804 20 30 FHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420939888 942265167 /nfs/dbraw/zinc/26/51/67/942265167.db2.gz CIUKHFIOXZPJJB-AAEUAGOBSA-N 1 2 357.376 3.760 20 30 FHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420939888 942265172 /nfs/dbraw/zinc/26/51/72/942265172.db2.gz CIUKHFIOXZPJJB-AAEUAGOBSA-N 1 2 357.376 3.760 20 30 FHEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000501022103 942267163 /nfs/dbraw/zinc/26/71/63/942267163.db2.gz QJFNRUJBKSWHIV-UHFFFAOYSA-N 1 2 350.462 3.518 20 30 FHEDLO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nn1 ZINC000514080647 942732274 /nfs/dbraw/zinc/73/22/74/942732274.db2.gz VOYCNYUTLMBETQ-UHFFFAOYSA-N 1 2 362.408 3.698 20 30 FHEDLO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nn1 ZINC000514080647 942732278 /nfs/dbraw/zinc/73/22/78/942732278.db2.gz VOYCNYUTLMBETQ-UHFFFAOYSA-N 1 2 362.408 3.698 20 30 FHEDLO CC(C)COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccco1 ZINC000273228029 942912368 /nfs/dbraw/zinc/91/23/68/942912368.db2.gz CIEUYZKLXZOCJN-LJQANCHMSA-N 1 2 369.465 3.530 20 30 FHEDLO C=C1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000503039064 942933881 /nfs/dbraw/zinc/93/38/81/942933881.db2.gz CQIYQWYJSQBPEJ-KRWDZBQOSA-N 1 2 363.299 3.765 20 30 FHEDLO C=CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(OC)cc1 ZINC000434836036 942993762 /nfs/dbraw/zinc/99/37/62/942993762.db2.gz JEXKUHXIPXNCQL-UHFFFAOYSA-N 1 2 353.378 3.933 20 30 FHEDLO C=CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(OC)cc1 ZINC000434836036 942993767 /nfs/dbraw/zinc/99/37/67/942993767.db2.gz JEXKUHXIPXNCQL-UHFFFAOYSA-N 1 2 353.378 3.933 20 30 FHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422209001 943048928 /nfs/dbraw/zinc/04/89/28/943048928.db2.gz NMQPFZGBVCGDKU-UHFFFAOYSA-N 1 2 354.410 3.504 20 30 FHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422211131 943049843 /nfs/dbraw/zinc/04/98/43/943049843.db2.gz PJQXVXPBJCHCGM-UHFFFAOYSA-N 1 2 355.486 3.764 20 30 FHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)c(Cl)c1 ZINC000434988589 943088838 /nfs/dbraw/zinc/08/88/38/943088838.db2.gz UMGCBJBJXWKWTR-UHFFFAOYSA-N 1 2 367.840 3.517 20 30 FHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)s1 ZINC000435167964 943226460 /nfs/dbraw/zinc/22/64/60/943226460.db2.gz GQDAPBIEMOQGKC-UHFFFAOYSA-N 1 2 372.469 3.671 20 30 FHEDLO N#CCOc1ccccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000363985099 943265120 /nfs/dbraw/zinc/26/51/20/943265120.db2.gz WSGVEGFINZBIAO-UHFFFAOYSA-N 1 2 370.412 3.756 20 30 FHEDLO C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000417045414 943315447 /nfs/dbraw/zinc/31/54/47/943315447.db2.gz RDRFXYLBNAKHPI-UHFFFAOYSA-N 1 2 359.514 3.771 20 30 FHEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)c(C(F)(F)F)c1 ZINC000514897774 943367455 /nfs/dbraw/zinc/36/74/55/943367455.db2.gz YXWPDXPLYJEOEO-OAHLLOKOSA-N 1 2 356.294 3.678 20 30 FHEDLO CC(C)(C)c1nc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000503902453 943399704 /nfs/dbraw/zinc/39/97/04/943399704.db2.gz OHPGABAOYVKKQU-KRWDZBQOSA-N 1 2 368.506 3.597 20 30 FHEDLO CCCCCCCC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187160453 943444078 /nfs/dbraw/zinc/44/40/78/943444078.db2.gz CNAVQKGENBLNCX-UHFFFAOYSA-N 1 2 359.514 3.650 20 30 FHEDLO CC[N@H+](Cc1ccc(OC)cc1OC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584782766 943603221 /nfs/dbraw/zinc/60/32/21/943603221.db2.gz AKLQIFKRCRVARM-UHFFFAOYSA-N 1 2 355.394 3.506 20 30 FHEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584782766 943603225 /nfs/dbraw/zinc/60/32/25/943603225.db2.gz AKLQIFKRCRVARM-UHFFFAOYSA-N 1 2 355.394 3.506 20 30 FHEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)nn1 ZINC000424299051 943826779 /nfs/dbraw/zinc/82/67/79/943826779.db2.gz URKQJANKBGJMET-CQSZACIVSA-N 1 2 353.253 3.774 20 30 FHEDLO N#Cc1ccsc1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436014204 943930120 /nfs/dbraw/zinc/93/01/20/943930120.db2.gz QCBLRLGXSZEYLL-UHFFFAOYSA-N 1 2 370.865 3.812 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)CCC#N)c(C)c1 ZINC000500109536 944115126 /nfs/dbraw/zinc/11/51/26/944115126.db2.gz NFLWWBUSSBFKQI-IBGZPJMESA-N 1 2 367.497 3.870 20 30 FHEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000438054345 944300783 /nfs/dbraw/zinc/30/07/83/944300783.db2.gz CHGSYKXONCDKEH-IBGZPJMESA-N 1 2 356.828 3.568 20 30 FHEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000438054345 944300792 /nfs/dbraw/zinc/30/07/92/944300792.db2.gz CHGSYKXONCDKEH-IBGZPJMESA-N 1 2 356.828 3.568 20 30 FHEDLO N#C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000505837692 944367107 /nfs/dbraw/zinc/36/71/07/944367107.db2.gz JHUIPEKYRDAPFL-SFHVURJKSA-N 1 2 350.809 3.579 20 30 FHEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)cc1 ZINC000439318365 944524483 /nfs/dbraw/zinc/52/44/83/944524483.db2.gz GVKKWTMMBUJATH-SFHVURJKSA-N 1 2 371.843 3.699 20 30 FHEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000439431550 944607358 /nfs/dbraw/zinc/60/73/58/944607358.db2.gz NMYLRTQGAFVJSJ-UHFFFAOYSA-N 1 2 367.880 3.868 20 30 FHEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000439431550 944607365 /nfs/dbraw/zinc/60/73/65/944607365.db2.gz NMYLRTQGAFVJSJ-UHFFFAOYSA-N 1 2 367.880 3.868 20 30 FHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458856857 944649073 /nfs/dbraw/zinc/64/90/73/944649073.db2.gz YZZOAQVPLOMKRH-LJQANCHMSA-N 1 2 365.481 3.796 20 30 FHEDLO C=CC[N@@H+](Cc1nc(CCC)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000426417563 944731356 /nfs/dbraw/zinc/73/13/56/944731356.db2.gz BHNABICWXVCFEC-HNNXBMFYSA-N 1 2 368.510 3.821 20 30 FHEDLO C=CC[N@H+](Cc1nc(CCC)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000426417563 944731362 /nfs/dbraw/zinc/73/13/62/944731362.db2.gz BHNABICWXVCFEC-HNNXBMFYSA-N 1 2 368.510 3.821 20 30 FHEDLO C=CCSCCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425669260 944892425 /nfs/dbraw/zinc/89/24/25/944892425.db2.gz CDLHMAWWJMSCQA-UHFFFAOYSA-N 1 2 356.495 3.927 20 30 FHEDLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000426468007 944896314 /nfs/dbraw/zinc/89/63/14/944896314.db2.gz IPLIINCWHVCJBI-MSOLQXFVSA-N 1 2 352.434 3.900 20 30 FHEDLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000426468007 944896324 /nfs/dbraw/zinc/89/63/24/944896324.db2.gz IPLIINCWHVCJBI-MSOLQXFVSA-N 1 2 352.434 3.900 20 30 FHEDLO C=CCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000516553481 945000454 /nfs/dbraw/zinc/00/04/54/945000454.db2.gz PFZZREMUYYEJRZ-UHFFFAOYSA-N 1 2 359.470 3.567 20 30 FHEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)cc2)ccn1 ZINC000427036384 945032917 /nfs/dbraw/zinc/03/29/17/945032917.db2.gz BGGYLWXSFKBHPD-QGZVFWFLSA-N 1 2 359.389 3.527 20 30 FHEDLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330133477 945369672 /nfs/dbraw/zinc/36/96/72/945369672.db2.gz REGJXGFAOUTILU-YZVOILCLSA-N 1 2 364.511 3.655 20 30 FHEDLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330133477 945369683 /nfs/dbraw/zinc/36/96/83/945369683.db2.gz REGJXGFAOUTILU-YZVOILCLSA-N 1 2 364.511 3.655 20 30 FHEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)sc2C1 ZINC000330205039 945401201 /nfs/dbraw/zinc/40/12/01/945401201.db2.gz CCWBJDLPYFPIAP-UHFFFAOYSA-N 1 2 356.451 3.647 20 30 FHEDLO C[N@H+]1CCc2nc(NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)sc2C1 ZINC000330205039 945401214 /nfs/dbraw/zinc/40/12/14/945401214.db2.gz CCWBJDLPYFPIAP-UHFFFAOYSA-N 1 2 356.451 3.647 20 30 FHEDLO Cc1ccc([C@@H]2C[C@H](C)N(C([O-])=[NH+]C[C@H]3CCCn4cc[nH+]c43)C2)cc1 ZINC000330206541 945403046 /nfs/dbraw/zinc/40/30/46/945403046.db2.gz DJSLGGICNNGDOH-QXAKKESOSA-N 1 2 352.482 3.861 20 30 FHEDLO C#C[C@@H]([NH2+]Cc1cnc(CCOC)s1)c1ccc(Br)cc1 ZINC000894870796 945557195 /nfs/dbraw/zinc/55/71/95/945557195.db2.gz PKYNOKKYQSQLBT-OAHLLOKOSA-N 1 2 365.296 3.559 20 30 FHEDLO C=CC[N@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)[C@H](C)COC ZINC000661245255 945901222 /nfs/dbraw/zinc/90/12/22/945901222.db2.gz ZJDQFGDJUQATNU-CQSZACIVSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)[C@H](C)COC ZINC000661245255 945901232 /nfs/dbraw/zinc/90/12/32/945901232.db2.gz ZJDQFGDJUQATNU-CQSZACIVSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CC[N@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc(OC)cc1 ZINC000054272993 946036426 /nfs/dbraw/zinc/03/64/26/946036426.db2.gz CSRLNCCXUMASBL-UHFFFAOYSA-N 1 2 364.898 3.715 20 30 FHEDLO C=CC[N@@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc(OC)cc1 ZINC000054272993 946036438 /nfs/dbraw/zinc/03/64/38/946036438.db2.gz CSRLNCCXUMASBL-UHFFFAOYSA-N 1 2 364.898 3.715 20 30 FHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000661413285 946079033 /nfs/dbraw/zinc/07/90/33/946079033.db2.gz CLRNLXHLNCSBIF-QWFCFKBJSA-N 1 2 356.514 3.605 20 30 FHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCn1cc[nH+]c1 ZINC000520357639 946448807 /nfs/dbraw/zinc/44/88/07/946448807.db2.gz GQJPASWOMIXOPT-UHFFFAOYSA-N 1 2 362.408 3.826 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCC(F)(F)F)c1 ZINC000104677644 946509428 /nfs/dbraw/zinc/50/94/28/946509428.db2.gz QAANWTNBMMCAOY-HNNXBMFYSA-N 1 2 355.404 3.823 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F)c1 ZINC000104677644 946509438 /nfs/dbraw/zinc/50/94/38/946509438.db2.gz QAANWTNBMMCAOY-HNNXBMFYSA-N 1 2 355.404 3.823 20 30 FHEDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1[N+](=O)[O-] ZINC000181813495 946849693 /nfs/dbraw/zinc/84/96/93/946849693.db2.gz UXYALSWHRVBKHU-CYBMUJFWSA-N 1 2 363.377 3.676 20 30 FHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000475352053 946930226 /nfs/dbraw/zinc/93/02/26/946930226.db2.gz HIUPOCFIYOEJFE-YNZYUUBUSA-N 1 2 352.869 3.631 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)Cc1ccc(OC)cc1 ZINC000113252395 946931486 /nfs/dbraw/zinc/93/14/86/946931486.db2.gz OMFVOYKHNHPDDP-UHFFFAOYSA-N 1 2 370.497 3.582 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)Cc1ccc(OC)cc1 ZINC000113252395 946931492 /nfs/dbraw/zinc/93/14/92/946931492.db2.gz OMFVOYKHNHPDDP-UHFFFAOYSA-N 1 2 370.497 3.582 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CSC3(C)C)n2)C1 ZINC000328743118 947007171 /nfs/dbraw/zinc/00/71/71/947007171.db2.gz NEOPZMRRKIMBSQ-YPMHNXCESA-N 1 2 354.545 3.595 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CSC3(C)C)n2)C1 ZINC000328743118 947007177 /nfs/dbraw/zinc/00/71/77/947007177.db2.gz NEOPZMRRKIMBSQ-YPMHNXCESA-N 1 2 354.545 3.595 20 30 FHEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]CC1CC(c2ccccc2)C1 ZINC000328747874 947008362 /nfs/dbraw/zinc/00/83/62/947008362.db2.gz PGIPIOMQGHNWIS-UUKMXZOPSA-N 1 2 352.482 3.764 20 30 FHEDLO C[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328766465 947018380 /nfs/dbraw/zinc/01/83/80/947018380.db2.gz HGCYPWJAFHJJEO-QAPCUYQASA-N 1 2 360.502 3.506 20 30 FHEDLO C[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328766465 947018390 /nfs/dbraw/zinc/01/83/90/947018390.db2.gz HGCYPWJAFHJJEO-QAPCUYQASA-N 1 2 360.502 3.506 20 30 FHEDLO CC(C)Cn1ncc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C(F)F ZINC000328838407 947058747 /nfs/dbraw/zinc/05/87/47/947058747.db2.gz NVDOXMJGODZVKN-UHFFFAOYSA-N 1 2 366.416 3.625 20 30 FHEDLO CC(C)Cn1ncc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C(F)F ZINC000328838407 947058756 /nfs/dbraw/zinc/05/87/56/947058756.db2.gz NVDOXMJGODZVKN-UHFFFAOYSA-N 1 2 366.416 3.625 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)C[C@](C)(O)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328878972 947079734 /nfs/dbraw/zinc/07/97/34/947079734.db2.gz UYUJXYNPXCEWAU-SZMVWBNQSA-N 1 2 354.853 3.732 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)C[C@](C)(O)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328878972 947079746 /nfs/dbraw/zinc/07/97/46/947079746.db2.gz UYUJXYNPXCEWAU-SZMVWBNQSA-N 1 2 354.853 3.732 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444701140 947125874 /nfs/dbraw/zinc/12/58/74/947125874.db2.gz HEOFWQVNJULPMK-HNNXBMFYSA-N 1 2 357.404 3.732 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444701142 947125913 /nfs/dbraw/zinc/12/59/13/947125913.db2.gz HEOFWQVNJULPMK-OAHLLOKOSA-N 1 2 357.404 3.732 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444701140 947125869 /nfs/dbraw/zinc/12/58/69/947125869.db2.gz HEOFWQVNJULPMK-HNNXBMFYSA-N 1 2 357.404 3.732 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444701142 947125906 /nfs/dbraw/zinc/12/59/06/947125906.db2.gz HEOFWQVNJULPMK-OAHLLOKOSA-N 1 2 357.404 3.732 20 30 FHEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665007793 947274508 /nfs/dbraw/zinc/27/45/08/947274508.db2.gz MVGYCOQXWLVKCS-NUJGCVRESA-N 1 2 357.454 3.685 20 30 FHEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665007793 947274515 /nfs/dbraw/zinc/27/45/15/947274515.db2.gz MVGYCOQXWLVKCS-NUJGCVRESA-N 1 2 357.454 3.685 20 30 FHEDLO CC[NH+]=C([O-])Nc1ccc(C)c(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000331221083 947373515 /nfs/dbraw/zinc/37/35/15/947373515.db2.gz YKCNOHJAQCSXMX-SFHVURJKSA-N 1 2 360.502 3.790 20 30 FHEDLO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331295344 947391563 /nfs/dbraw/zinc/39/15/63/947391563.db2.gz CKYAYOXVMAZVCD-NVXWUHKLSA-N 1 2 360.502 3.569 20 30 FHEDLO CCCCN(C)C(=O)C1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331352318 947401864 /nfs/dbraw/zinc/40/18/64/947401864.db2.gz ZIOYLCVDFOPTTI-UHFFFAOYSA-N 1 2 360.502 3.523 20 30 FHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000843773204 947663221 /nfs/dbraw/zinc/66/32/21/947663221.db2.gz BYYZPWDBZFCLDE-NRFANRHFSA-N 1 2 359.429 3.695 20 30 FHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000843773204 947663222 /nfs/dbraw/zinc/66/32/22/947663222.db2.gz BYYZPWDBZFCLDE-NRFANRHFSA-N 1 2 359.429 3.695 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCc2ccc(C#N)cc2)c(C)c1 ZINC000441484503 947930768 /nfs/dbraw/zinc/93/07/68/947930768.db2.gz AVEFLMLQAARXED-QFIPXVFZSA-N 1 2 372.472 3.862 20 30 FHEDLO C[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1cccc(C#N)c1 ZINC000278887503 947997532 /nfs/dbraw/zinc/99/75/32/947997532.db2.gz IMHPIAMSSVAVPC-UWVGGRQHSA-N 1 2 368.384 3.711 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(C#N)CC1 ZINC000057907654 948109951 /nfs/dbraw/zinc/10/99/51/948109951.db2.gz VESPSQPFLZSOCQ-JTQLQIEISA-N 1 2 359.779 3.921 20 30 FHEDLO C[C@@H]([NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccccc1C#N ZINC000278922486 948125501 /nfs/dbraw/zinc/12/55/01/948125501.db2.gz LTTKGLGWFFOAAJ-NXEZZACHSA-N 1 2 368.384 3.711 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285460603 948392423 /nfs/dbraw/zinc/39/24/23/948392423.db2.gz ANADVPXOOLULTC-STQMWFEESA-N 1 2 365.449 3.675 20 30 FHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000111770844 948465054 /nfs/dbraw/zinc/46/50/54/948465054.db2.gz RIGVKEILQAYZJO-UHFFFAOYSA-N 1 2 371.444 3.547 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279169744 948576025 /nfs/dbraw/zinc/57/60/25/948576025.db2.gz URZDYZIOGZKGCG-UHFFFAOYSA-N 1 2 363.465 3.811 20 30 FHEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000602868948 568008843 /nfs/dbraw/zinc/00/88/43/568008843.db2.gz LCTGOVWKWSFFNH-CABCVRRESA-N 1 2 354.479 3.593 20 30 FHEDLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000602952720 568028144 /nfs/dbraw/zinc/02/81/44/568028144.db2.gz TWMDOQTXTSVKFQ-LJQANCHMSA-N 1 2 372.509 3.630 20 30 FHEDLO Cc1nc(C[NH+]2CCN(c3c(C#N)cnc4ccc(C)cc43)CC2)cs1 ZINC000568581878 568064967 /nfs/dbraw/zinc/06/49/67/568064967.db2.gz IBWLUKMQAIPEOT-UHFFFAOYSA-N 1 2 363.490 3.502 20 30 FHEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1F ZINC000481656730 568081455 /nfs/dbraw/zinc/08/14/55/568081455.db2.gz KQYOJHXWZRQHQZ-UHFFFAOYSA-N 1 2 372.831 3.700 20 30 FHEDLO N#Cc1ccccc1OCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000007725428 568254297 /nfs/dbraw/zinc/25/42/97/568254297.db2.gz ZOWQTLIYJOQYEZ-UHFFFAOYSA-N 1 2 360.417 3.652 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OCC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000604488017 568302659 /nfs/dbraw/zinc/30/26/59/568302659.db2.gz CRQSFDFGTCQPOR-UHFFFAOYSA-N 1 2 369.421 3.620 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc(OCC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000604488017 568302660 /nfs/dbraw/zinc/30/26/60/568302660.db2.gz CRQSFDFGTCQPOR-UHFFFAOYSA-N 1 2 369.421 3.620 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1F ZINC000225536730 571337052 /nfs/dbraw/zinc/33/70/52/571337052.db2.gz TWSIGULIBTWMCW-ZDUSSCGKSA-N 1 2 352.335 3.819 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1F ZINC000225536730 571337053 /nfs/dbraw/zinc/33/70/53/571337053.db2.gz TWSIGULIBTWMCW-ZDUSSCGKSA-N 1 2 352.335 3.819 20 30 FHEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccccc2Cl)CC1 ZINC001165035862 721873144 /nfs/dbraw/zinc/87/31/44/721873144.db2.gz XMIKRFCAOIPTHP-UHFFFAOYSA-N 1 2 365.264 3.884 20 30 FHEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097366486 927841548 /nfs/dbraw/zinc/84/15/48/927841548.db2.gz RFHDWDLFNNHFLB-UHFFFAOYSA-N 1 2 353.422 3.685 20 30 FHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCCn1cc[nH+]c1 ZINC000079771490 937221004 /nfs/dbraw/zinc/22/10/04/937221004.db2.gz IUSFUZYINSBCPM-UHFFFAOYSA-N 1 2 352.891 3.776 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000157605938 928328687 /nfs/dbraw/zinc/32/86/87/928328687.db2.gz KAWKUYKMCDOFJT-FQEVSTJZSA-N 1 2 372.852 3.673 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000157605938 928328699 /nfs/dbraw/zinc/32/86/99/928328699.db2.gz KAWKUYKMCDOFJT-FQEVSTJZSA-N 1 2 372.852 3.673 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000124659215 937250766 /nfs/dbraw/zinc/25/07/66/937250766.db2.gz VGABCHHTMINHAS-OAHLLOKOSA-N 1 2 357.483 3.689 20 30 FHEDLO CCN1CC[NH+]([C@H](C)CNc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000579856358 928615486 /nfs/dbraw/zinc/61/54/86/928615486.db2.gz WGLITEHBPYEEMM-OAHLLOKOSA-N 1 2 371.916 3.506 20 30 FHEDLO COc1ccc(OC)c(C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)c1 ZINC000610316342 929866032 /nfs/dbraw/zinc/86/60/32/929866032.db2.gz GDXFVGMBPGEREF-UHFFFAOYSA-N 1 2 371.868 3.551 20 30 FHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000083214159 930176557 /nfs/dbraw/zinc/17/65/57/930176557.db2.gz JQCXOHUBQCVTSM-FXAWDEMLSA-N 1 2 366.486 3.887 20 30 FHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000083214159 930176562 /nfs/dbraw/zinc/17/65/62/930176562.db2.gz JQCXOHUBQCVTSM-FXAWDEMLSA-N 1 2 366.486 3.887 20 30 FHEDLO Cc1cc(Br)cn2c(CN3CCCC(C)(C)[C@@H]3C#N)c[nH+]c12 ZINC000580399563 930625678 /nfs/dbraw/zinc/62/56/78/930625678.db2.gz NPJHSMFKIIQLSE-HNNXBMFYSA-N 1 2 361.287 3.919 20 30 FHEDLO COc1ccc(C[NH2+][C@H](C)c2nc(Br)cs2)cc1C#N ZINC000834689059 931389737 /nfs/dbraw/zinc/38/97/37/931389737.db2.gz IOUAWHCRUJMBOX-SECBINFHSA-N 1 2 352.257 3.637 20 30 FHEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Oc4ccccc4)o3)CC2)n1 ZINC000544931251 931813796 /nfs/dbraw/zinc/81/37/96/931813796.db2.gz JEQYJMJRWMOLRB-UHFFFAOYSA-N 1 2 360.417 3.661 20 30 FHEDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1coc(C2CCCC2)n1 ZINC000328770640 931921114 /nfs/dbraw/zinc/92/11/14/931921114.db2.gz COIMTHVFXWADNZ-UHFFFAOYSA-N 1 2 355.438 3.801 20 30 FHEDLO C[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)Cc1cccc(C#N)c1 ZINC000135120901 931942580 /nfs/dbraw/zinc/94/25/80/931942580.db2.gz BBAXUCVUKCFLKS-UHFFFAOYSA-N 1 2 358.323 3.658 20 30 FHEDLO C[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)Cc1cccc(C#N)c1 ZINC000135120901 931942589 /nfs/dbraw/zinc/94/25/89/931942589.db2.gz BBAXUCVUKCFLKS-UHFFFAOYSA-N 1 2 358.323 3.658 20 30 FHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H](C)c2ccc(F)cn2)[nH+]1 ZINC001167479733 932536334 /nfs/dbraw/zinc/53/63/34/932536334.db2.gz SJRCAEPUERFQBD-IBRLAQGRSA-N 1 2 362.474 3.978 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510497109 933064976 /nfs/dbraw/zinc/06/49/76/933064976.db2.gz TXEJOKMFGMKSLO-IYBDPMFKSA-N 1 2 363.461 3.728 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510497109 933064981 /nfs/dbraw/zinc/06/49/81/933064981.db2.gz TXEJOKMFGMKSLO-IYBDPMFKSA-N 1 2 363.461 3.728 20 30 FHEDLO CC(C)CCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000065040693 933456011 /nfs/dbraw/zinc/45/60/11/933456011.db2.gz JOUZELRACJHARW-UHFFFAOYSA-N 1 2 368.550 3.921 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091896504 933700847 /nfs/dbraw/zinc/70/08/47/933700847.db2.gz PMHZVHHDJGQFBX-HNNXBMFYSA-N 1 2 369.415 3.658 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091896504 933700856 /nfs/dbraw/zinc/70/08/56/933700856.db2.gz PMHZVHHDJGQFBX-HNNXBMFYSA-N 1 2 369.415 3.658 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000610682269 933771266 /nfs/dbraw/zinc/77/12/66/933771266.db2.gz KOORWGMLOUVKDA-PHIMTYICSA-N 1 2 373.268 3.785 20 30 FHEDLO COC(=O)c1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000610682269 933771270 /nfs/dbraw/zinc/77/12/70/933771270.db2.gz KOORWGMLOUVKDA-PHIMTYICSA-N 1 2 373.268 3.785 20 30 FHEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc2ccccc2c1 ZINC000510906317 934006274 /nfs/dbraw/zinc/00/62/74/934006274.db2.gz YGPNLWDPVFUCAC-HOTGVXAUSA-N 1 2 353.441 3.733 20 30 FHEDLO CC(C)c1ccc(CN(C(=O)C[NH+]2CCC(F)(C#N)CC2)C2CC2)cc1 ZINC000510935481 934192785 /nfs/dbraw/zinc/19/27/85/934192785.db2.gz SOSSBTYBKJWBFT-UHFFFAOYSA-N 1 2 357.473 3.629 20 30 FHEDLO COc1cc(C(N)=[NH+]OCc2ccc(Cl)cc2)ccc1OC(F)F ZINC000071795026 934864280 /nfs/dbraw/zinc/86/42/80/934864280.db2.gz UWYLMDPTEBNEAP-UHFFFAOYSA-N 1 2 356.756 3.787 20 30 FHEDLO N#Cc1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)c(C(F)(F)F)c1 ZINC000582718051 935977806 /nfs/dbraw/zinc/97/78/06/935977806.db2.gz SXNIMTNGUDPQOW-UHFFFAOYSA-N 1 2 360.383 3.996 20 30 FHEDLO CCc1ccc(C[NH+]2CCN(c3snc(Cl)c3C#N)CC2)s1 ZINC000077985843 936055823 /nfs/dbraw/zinc/05/58/23/936055823.db2.gz NJZAAFQZFZXNQH-UHFFFAOYSA-N 1 2 352.916 3.614 20 30 FHEDLO N#Cc1cccc(C2(C(=O)N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)CC2)c1 ZINC000548769737 936127811 /nfs/dbraw/zinc/12/78/11/936127811.db2.gz WWWIKXMENOZSCT-GOSISDBHSA-N 1 2 374.488 3.529 20 30 FHEDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 ZINC000078412968 936149839 /nfs/dbraw/zinc/14/98/39/936149839.db2.gz TYWIVALLOOKGHS-UHFFFAOYSA-N 1 2 365.437 3.613 20 30 FHEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000166376446 936193210 /nfs/dbraw/zinc/19/32/10/936193210.db2.gz LHANXUQCUJSQQI-CYBMUJFWSA-N 1 2 372.375 3.628 20 30 FHEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)cs1 ZINC000047406062 945156714 /nfs/dbraw/zinc/15/67/14/945156714.db2.gz LNNMIHKAJRXVOJ-UHFFFAOYSA-N 1 2 354.523 3.630 20 30 FHEDLO CC(C)[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329211267 938288448 /nfs/dbraw/zinc/28/84/48/938288448.db2.gz GXVWKWGHHZLQMT-HBUWYVDXSA-N 1 2 374.485 3.801 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000507353994 945166348 /nfs/dbraw/zinc/16/63/48/945166348.db2.gz CFSLNLUVZQPKIR-OAQYLSRUSA-N 1 2 357.425 3.973 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000507353994 945166353 /nfs/dbraw/zinc/16/63/53/945166353.db2.gz CFSLNLUVZQPKIR-OAQYLSRUSA-N 1 2 357.425 3.973 20 30 FHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CCC[C@@H]2CC(C)C)c1=S ZINC000157379123 938351491 /nfs/dbraw/zinc/35/14/91/938351491.db2.gz CIIOETQTLWSVAA-OAHLLOKOSA-N 1 2 358.515 3.525 20 30 FHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CCC[C@@H]2CC(C)C)c1=S ZINC000157379123 938351494 /nfs/dbraw/zinc/35/14/94/938351494.db2.gz CIIOETQTLWSVAA-OAHLLOKOSA-N 1 2 358.515 3.525 20 30 FHEDLO C=CCC[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000246275520 938353419 /nfs/dbraw/zinc/35/34/19/938353419.db2.gz NAEYINRGQBTNTH-IEBWSBKVSA-N 1 2 352.482 3.805 20 30 FHEDLO C=CCC[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000246275520 938353421 /nfs/dbraw/zinc/35/34/21/938353421.db2.gz NAEYINRGQBTNTH-IEBWSBKVSA-N 1 2 352.482 3.805 20 30 FHEDLO Cc1ccc(NC(=O)[C@H]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)nc1 ZINC000329357491 938369040 /nfs/dbraw/zinc/36/90/40/938369040.db2.gz ZWEGWSCHKGUHJX-INIZCTEOSA-N 1 2 351.454 3.870 20 30 FHEDLO Cc1ccc(NC(=O)[C@@H]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)nc1 ZINC000329357496 938369061 /nfs/dbraw/zinc/36/90/61/938369061.db2.gz ZWEGWSCHKGUHJX-MRXNPFEDSA-N 1 2 351.454 3.870 20 30 FHEDLO N#CC1CCN(c2cc(N3CCC(C#N)CC3)[nH+]c(-c3ccccc3)n2)CC1 ZINC000584189146 938633568 /nfs/dbraw/zinc/63/35/68/938633568.db2.gz MHMIKKWYNKSQNV-UHFFFAOYSA-N 1 2 372.476 3.624 20 30 FHEDLO CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000329730277 938655412 /nfs/dbraw/zinc/65/54/12/938655412.db2.gz GDCQYBHPPAPQFU-DYVFJYSZSA-N 1 2 357.458 3.655 20 30 FHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000083423044 938812094 /nfs/dbraw/zinc/81/20/94/938812094.db2.gz ROQYNMNDGZPIGG-IBGZPJMESA-N 1 2 351.837 3.527 20 30 FHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000083423044 938812095 /nfs/dbraw/zinc/81/20/95/938812095.db2.gz ROQYNMNDGZPIGG-IBGZPJMESA-N 1 2 351.837 3.527 20 30 FHEDLO O[C@@H](C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F ZINC000093766906 938929880 /nfs/dbraw/zinc/92/98/80/938929880.db2.gz JRJAMPHKPJZMBG-ZDUSSCGKSA-N 1 2 359.285 3.980 20 30 FHEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1OC ZINC000093363997 938995229 /nfs/dbraw/zinc/99/52/29/938995229.db2.gz ILSVBIKOGDYPHV-UHFFFAOYSA-N 1 2 351.450 3.779 20 30 FHEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1OC ZINC000093363997 938995230 /nfs/dbraw/zinc/99/52/30/938995230.db2.gz ILSVBIKOGDYPHV-UHFFFAOYSA-N 1 2 351.450 3.779 20 30 FHEDLO C=CCC[C@@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccco1 ZINC000375837805 939955313 /nfs/dbraw/zinc/95/53/13/939955313.db2.gz HPCFCXBBRVUICI-QWHCGFSZSA-N 1 2 354.376 3.793 20 30 FHEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000375899557 940033168 /nfs/dbraw/zinc/03/31/68/940033168.db2.gz CKOQRIZWMRQZLV-HNNXBMFYSA-N 1 2 368.868 3.764 20 30 FHEDLO CSCCO[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000309246968 940287520 /nfs/dbraw/zinc/28/75/20/940287520.db2.gz CNRTTXZVYYYVLD-UHFFFAOYSA-N 1 2 368.094 3.507 20 30 FHEDLO Cc1[nH+]ccn1-c1c(Cl)cccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000580506109 940477448 /nfs/dbraw/zinc/47/74/48/940477448.db2.gz ALBTVOQEZBMNTD-UHFFFAOYSA-N 1 2 372.837 3.507 20 30 FHEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCCOc2ccc(C#N)cc2)n1 ZINC000178036343 940598991 /nfs/dbraw/zinc/59/89/91/940598991.db2.gz VNESXGAAOMSXDP-CQSZACIVSA-N 1 2 360.483 3.656 20 30 FHEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)n1 ZINC000178036343 940599000 /nfs/dbraw/zinc/59/90/00/940599000.db2.gz VNESXGAAOMSXDP-CQSZACIVSA-N 1 2 360.483 3.656 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C[C@@]2(CCOC2)O1 ZINC000330084698 945349277 /nfs/dbraw/zinc/34/92/77/945349277.db2.gz CIVCTZHEWRINRC-CEMLEFRQSA-N 1 2 372.509 3.673 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C[C@@]2(CCOC2)O1 ZINC000330084698 945349287 /nfs/dbraw/zinc/34/92/87/945349287.db2.gz CIVCTZHEWRINRC-CEMLEFRQSA-N 1 2 372.509 3.673 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@]2(CCOC2)O1 ZINC000330089874 945351552 /nfs/dbraw/zinc/35/15/52/945351552.db2.gz WETDHFJOLZSCOE-GIVPXCGWSA-N 1 2 360.498 3.610 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@]2(CCOC2)O1 ZINC000330089874 945351562 /nfs/dbraw/zinc/35/15/62/945351562.db2.gz WETDHFJOLZSCOE-GIVPXCGWSA-N 1 2 360.498 3.610 20 30 FHEDLO Cn1ccnc1COc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000255908615 941009826 /nfs/dbraw/zinc/00/98/26/941009826.db2.gz BVYSYTMFBFCTCL-YFHOEESVSA-N 1 2 358.401 3.543 20 30 FHEDLO Cc1cc(C)c(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(C)[nH+]1 ZINC000176392145 941033029 /nfs/dbraw/zinc/03/30/29/941033029.db2.gz UKIGWWDRZUFAIW-UHFFFAOYSA-N 1 2 364.449 3.672 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549079687 941065190 /nfs/dbraw/zinc/06/51/90/941065190.db2.gz IMTRQXCTUHNVCQ-HXUWFJFHSA-N 1 2 358.388 3.655 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549079687 941065192 /nfs/dbraw/zinc/06/51/92/941065192.db2.gz IMTRQXCTUHNVCQ-HXUWFJFHSA-N 1 2 358.388 3.655 20 30 FHEDLO N#CC1(CCS(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCCC1 ZINC000414407473 941110324 /nfs/dbraw/zinc/11/03/24/941110324.db2.gz COYYWYBTBQSLHC-UHFFFAOYSA-N 1 2 371.506 3.710 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1C ZINC000177611641 941140617 /nfs/dbraw/zinc/14/06/17/941140617.db2.gz CVHQJHQCQHDDHG-FQEVSTJZSA-N 1 2 374.525 3.524 20 30 FHEDLO CC(C)[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1F ZINC000541060349 941155809 /nfs/dbraw/zinc/15/58/09/941155809.db2.gz VHNRMXFGBKKZIQ-QZTJIDSGSA-N 1 2 359.832 3.864 20 30 FHEDLO Cc1cc2cc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2[nH]1 ZINC000509910314 941801924 /nfs/dbraw/zinc/80/19/24/941801924.db2.gz JYKMHJRCSGXXQK-UHFFFAOYSA-N 1 2 373.460 3.698 20 30 FHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000377708541 941917948 /nfs/dbraw/zinc/91/79/48/941917948.db2.gz SCACDBMNLFTWOD-OAHLLOKOSA-N 1 2 361.511 3.520 20 30 FHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCOC(C)(C)C1 ZINC000377708541 941917951 /nfs/dbraw/zinc/91/79/51/941917951.db2.gz SCACDBMNLFTWOD-OAHLLOKOSA-N 1 2 361.511 3.520 20 30 FHEDLO C=C(CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000501106793 942310154 /nfs/dbraw/zinc/31/01/54/942310154.db2.gz ZFYCTJYUCWIEKJ-WOJBJXKFSA-N 1 2 371.431 3.723 20 30 FHEDLO C=C(CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000501106793 942310159 /nfs/dbraw/zinc/31/01/59/942310159.db2.gz ZFYCTJYUCWIEKJ-WOJBJXKFSA-N 1 2 371.431 3.723 20 30 FHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421237830 942430805 /nfs/dbraw/zinc/43/08/05/942430805.db2.gz BWXSMGUBENILGI-UHFFFAOYSA-N 1 2 365.477 3.805 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527205 942500600 /nfs/dbraw/zinc/50/06/00/942500600.db2.gz FPKMWPFCHTZAFM-AWEZNQCLSA-N 1 2 366.852 3.723 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527205 942500607 /nfs/dbraw/zinc/50/06/07/942500607.db2.gz FPKMWPFCHTZAFM-AWEZNQCLSA-N 1 2 366.852 3.723 20 30 FHEDLO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)nn1 ZINC000893194341 942539037 /nfs/dbraw/zinc/53/90/37/942539037.db2.gz FXEHAMCAYMABBQ-QGZVFWFLSA-N 1 2 367.453 3.958 20 30 FHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)Cc1cccs1 ZINC000016395481 942556661 /nfs/dbraw/zinc/55/66/61/942556661.db2.gz ZCAHITFNPJEYCW-HNNXBMFYSA-N 1 2 374.506 3.631 20 30 FHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)Cc1cccs1 ZINC000016395481 942556665 /nfs/dbraw/zinc/55/66/65/942556665.db2.gz ZCAHITFNPJEYCW-HNNXBMFYSA-N 1 2 374.506 3.631 20 30 FHEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1 ZINC000513992172 942654023 /nfs/dbraw/zinc/65/40/23/942654023.db2.gz NXZMIFYNWDMRMC-IBGZPJMESA-N 1 2 367.880 3.928 20 30 FHEDLO C=CCC1(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CCCC1 ZINC000664252149 942673178 /nfs/dbraw/zinc/67/31/78/942673178.db2.gz IBULTSBWFCSMJP-SFHVURJKSA-N 1 2 352.482 3.892 20 30 FHEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1ccncc1 ZINC000502745661 942711361 /nfs/dbraw/zinc/71/13/61/942711361.db2.gz UMZACDSWTSASHP-UHFFFAOYSA-N 1 2 370.884 3.812 20 30 FHEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1ccncc1 ZINC000502745661 942711365 /nfs/dbraw/zinc/71/13/65/942711365.db2.gz UMZACDSWTSASHP-UHFFFAOYSA-N 1 2 370.884 3.812 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C2 ZINC000425113659 942807139 /nfs/dbraw/zinc/80/71/39/942807139.db2.gz RESDDBHDNZQBJL-YOEHRIQHSA-N 1 2 350.466 3.729 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000425113659 942807144 /nfs/dbraw/zinc/80/71/44/942807144.db2.gz RESDDBHDNZQBJL-YOEHRIQHSA-N 1 2 350.466 3.729 20 30 FHEDLO Cc1cc(C)c(C#N)c(SCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000421823022 942833078 /nfs/dbraw/zinc/83/30/78/942833078.db2.gz YKDFEOKVRRJTAF-UHFFFAOYSA-N 1 2 353.491 3.695 20 30 FHEDLO CCCC[C@H](ON=C(C)C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000273453312 942960313 /nfs/dbraw/zinc/96/03/13/942960313.db2.gz PFZGVCHJRVAZSG-IBGZPJMESA-N 1 2 356.470 3.519 20 30 FHEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000434784301 942964123 /nfs/dbraw/zinc/96/41/23/942964123.db2.gz CYLVHNJAGJSHDL-ZDUSSCGKSA-N 1 2 369.852 3.606 20 30 FHEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000434784301 942964129 /nfs/dbraw/zinc/96/41/29/942964129.db2.gz CYLVHNJAGJSHDL-ZDUSSCGKSA-N 1 2 369.852 3.606 20 30 FHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C)(C#N)CC3)n2)C1 ZINC000272523442 943171606 /nfs/dbraw/zinc/17/16/06/943171606.db2.gz JBHQTVWCCIEUNR-AWEZNQCLSA-N 1 2 361.515 3.533 20 30 FHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C)(C#N)CC3)n2)C1 ZINC000272523442 943171610 /nfs/dbraw/zinc/17/16/10/943171610.db2.gz JBHQTVWCCIEUNR-AWEZNQCLSA-N 1 2 361.515 3.533 20 30 FHEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000272608736 943185527 /nfs/dbraw/zinc/18/55/27/943185527.db2.gz MYVICLUHTSIZIG-IBGZPJMESA-N 1 2 372.469 3.872 20 30 FHEDLO C=CC[C@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503465987 943201843 /nfs/dbraw/zinc/20/18/43/943201843.db2.gz MAVRXTSBCPZKEX-XJKSGUPXSA-N 1 2 351.288 3.667 20 30 FHEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000511600908 943328399 /nfs/dbraw/zinc/32/83/99/943328399.db2.gz XDTMFLCAJIGVDD-SFHVURJKSA-N 1 2 353.510 3.809 20 30 FHEDLO COc1ncccc1C[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000365886021 943407943 /nfs/dbraw/zinc/40/79/43/943407943.db2.gz UPRXNDWJGAAIDH-CYBMUJFWSA-N 1 2 350.447 3.936 20 30 FHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000075300476 943415985 /nfs/dbraw/zinc/41/59/85/943415985.db2.gz GNSJQMSWQCCKNH-FCHUYYIVSA-N 1 2 370.456 3.843 20 30 FHEDLO C=CC[N@@H+](C/C(C)=C\c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000503913925 943418587 /nfs/dbraw/zinc/41/85/87/943418587.db2.gz WVEWBUJKWWLKRO-QBOMHBFWSA-N 1 2 373.440 3.784 20 30 FHEDLO C=CC[N@H+](C/C(C)=C\c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000503913925 943418590 /nfs/dbraw/zinc/41/85/90/943418590.db2.gz WVEWBUJKWWLKRO-QBOMHBFWSA-N 1 2 373.440 3.784 20 30 FHEDLO C=CC[N@@H+](C/C(C)=C/c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000503913928 943418646 /nfs/dbraw/zinc/41/86/46/943418646.db2.gz WVEWBUJKWWLKRO-UKYUDJEDSA-N 1 2 373.440 3.784 20 30 FHEDLO C=CC[N@H+](C/C(C)=C/c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000503913928 943418647 /nfs/dbraw/zinc/41/86/47/943418647.db2.gz WVEWBUJKWWLKRO-UKYUDJEDSA-N 1 2 373.440 3.784 20 30 FHEDLO N#Cc1ccc(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)c(F)c1 ZINC000584752899 943542059 /nfs/dbraw/zinc/54/20/59/943542059.db2.gz HQBRHMSOLBUKEY-UHFFFAOYSA-N 1 2 357.282 3.984 20 30 FHEDLO N#Cc1csc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000584867881 943831595 /nfs/dbraw/zinc/83/15/95/943831595.db2.gz OJXJNOXRQUEMPE-UHFFFAOYSA-N 1 2 366.421 3.696 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]34)CC2)cc1 ZINC000505154662 944082630 /nfs/dbraw/zinc/08/26/30/944082630.db2.gz KJGKCXUHJDQXGR-BHDDXSALSA-N 1 2 365.521 3.809 20 30 FHEDLO C[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)NC1(C#N)CCCCC1 ZINC000278830676 944222962 /nfs/dbraw/zinc/22/29/62/944222962.db2.gz DBQIAZQAFDDFAT-QWRGUYRKSA-N 1 2 374.432 3.544 20 30 FHEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000550127749 944244343 /nfs/dbraw/zinc/24/43/43/944244343.db2.gz JRNYOVZVTDEPIB-MRXNPFEDSA-N 1 2 353.491 3.656 20 30 FHEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000550127749 944244351 /nfs/dbraw/zinc/24/43/51/944244351.db2.gz JRNYOVZVTDEPIB-MRXNPFEDSA-N 1 2 353.491 3.656 20 30 FHEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000438054349 944300434 /nfs/dbraw/zinc/30/04/34/944300434.db2.gz CHGSYKXONCDKEH-LJQANCHMSA-N 1 2 356.828 3.568 20 30 FHEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000438054349 944300439 /nfs/dbraw/zinc/30/04/39/944300439.db2.gz CHGSYKXONCDKEH-LJQANCHMSA-N 1 2 356.828 3.568 20 30 FHEDLO COc1cccc(-n2ccn(C[N@H+](C)Cc3cccc(C#N)c3)c2=S)c1 ZINC000025478145 944381028 /nfs/dbraw/zinc/38/10/28/944381028.db2.gz COJNRVRWBXGWFZ-UHFFFAOYSA-N 1 2 364.474 3.978 20 30 FHEDLO COc1cccc(-n2ccn(C[N@@H+](C)Cc3cccc(C#N)c3)c2=S)c1 ZINC000025478145 944381033 /nfs/dbraw/zinc/38/10/33/944381033.db2.gz COJNRVRWBXGWFZ-UHFFFAOYSA-N 1 2 364.474 3.978 20 30 FHEDLO CCn1c2ccccc2[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000438227308 944431860 /nfs/dbraw/zinc/43/18/60/944431860.db2.gz BUSAGHKXZPBCGD-UHFFFAOYSA-N 1 2 355.445 3.812 20 30 FHEDLO Cc1nsc(C)c1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000516191572 944564918 /nfs/dbraw/zinc/56/49/18/944564918.db2.gz ROTPONXDISHWEW-GOSISDBHSA-N 1 2 360.914 3.796 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c(Cl)c1 ZINC000439427113 944598474 /nfs/dbraw/zinc/59/84/74/944598474.db2.gz AKMIPUVAIXFCRE-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c(Cl)c1 ZINC000439427113 944598481 /nfs/dbraw/zinc/59/84/81/944598481.db2.gz AKMIPUVAIXFCRE-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO N#Cc1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000426151444 945029134 /nfs/dbraw/zinc/02/91/34/945029134.db2.gz XSVQMXLOMAZUAZ-UHFFFAOYSA-N 1 2 351.797 3.719 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440490206 945046106 /nfs/dbraw/zinc/04/61/06/945046106.db2.gz USNANEJMNKQVNQ-MRXNPFEDSA-N 1 2 372.538 3.697 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440490206 945046116 /nfs/dbraw/zinc/04/61/16/945046116.db2.gz USNANEJMNKQVNQ-MRXNPFEDSA-N 1 2 372.538 3.697 20 30 FHEDLO O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000330142489 945375557 /nfs/dbraw/zinc/37/55/57/945375557.db2.gz YHINDXOJIXFQKO-QZTJIDSGSA-N 1 2 356.445 3.937 20 30 FHEDLO O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000330142489 945375571 /nfs/dbraw/zinc/37/55/71/945375571.db2.gz YHINDXOJIXFQKO-QZTJIDSGSA-N 1 2 356.445 3.937 20 30 FHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330166408 945384149 /nfs/dbraw/zinc/38/41/49/945384149.db2.gz XZEIPNLXMZCWSC-UWJYYQICSA-N 1 2 354.450 3.698 20 30 FHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330166408 945384160 /nfs/dbraw/zinc/38/41/60/945384160.db2.gz XZEIPNLXMZCWSC-UWJYYQICSA-N 1 2 354.450 3.698 20 30 FHEDLO CC1(C)CC[C@H](CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000330188021 945394199 /nfs/dbraw/zinc/39/41/99/945394199.db2.gz KWPYPTQRPFRVLL-CVEARBPZSA-N 1 2 352.482 3.557 20 30 FHEDLO CC[C@@H]1COCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330263045 945431349 /nfs/dbraw/zinc/43/13/49/945431349.db2.gz WAOGRVUVXWOBBX-QGZVFWFLSA-N 1 2 354.454 3.543 20 30 FHEDLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccc2nc(C3CC3)oc2c1 ZINC000330285157 945445420 /nfs/dbraw/zinc/44/54/20/945445420.db2.gz YLHGOXWKJYADDO-UHFFFAOYSA-N 1 2 351.410 3.764 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCO1 ZINC000330326380 945566151 /nfs/dbraw/zinc/56/61/51/945566151.db2.gz KBIGBTKBYAXMIC-NRUGXNMXSA-N 1 2 360.502 3.503 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C2(c3cccc(F)c3)CCC2)CCO1 ZINC000330335458 945604783 /nfs/dbraw/zinc/60/47/83/945604783.db2.gz ROHDSAFTKPPXEI-WMZOPIPTSA-N 1 2 357.429 3.858 20 30 FHEDLO C=CCOCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000549527584 945696334 /nfs/dbraw/zinc/69/63/34/945696334.db2.gz STTKPGKAZXIGPU-INIZCTEOSA-N 1 2 357.281 3.989 20 30 FHEDLO C=CCOCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000549527584 945696338 /nfs/dbraw/zinc/69/63/38/945696338.db2.gz STTKPGKAZXIGPU-INIZCTEOSA-N 1 2 357.281 3.989 20 30 FHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCO1 ZINC000281559529 945767269 /nfs/dbraw/zinc/76/72/69/945767269.db2.gz YCSSWGXPJHZPFQ-HOTGVXAUSA-N 1 2 361.511 3.520 20 30 FHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCO1 ZINC000281559529 945767278 /nfs/dbraw/zinc/76/72/78/945767278.db2.gz YCSSWGXPJHZPFQ-HOTGVXAUSA-N 1 2 361.511 3.520 20 30 FHEDLO COCC[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000384404641 946414265 /nfs/dbraw/zinc/41/42/65/946414265.db2.gz CYLLDUHPYGROAI-UHFFFAOYSA-N 1 2 359.267 3.969 20 30 FHEDLO COCC[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000384404641 946414277 /nfs/dbraw/zinc/41/42/77/946414277.db2.gz CYLLDUHPYGROAI-UHFFFAOYSA-N 1 2 359.267 3.969 20 30 FHEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093477801 946636939 /nfs/dbraw/zinc/63/69/39/946636939.db2.gz SKQZTQGMPFXQFL-LPHOPBHVSA-N 1 2 353.470 3.562 20 30 FHEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093477801 946636943 /nfs/dbraw/zinc/63/69/43/946636943.db2.gz SKQZTQGMPFXQFL-LPHOPBHVSA-N 1 2 353.470 3.562 20 30 FHEDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1[N+](=O)[O-] ZINC000181813515 946851004 /nfs/dbraw/zinc/85/10/04/946851004.db2.gz UXYALSWHRVBKHU-ZDUSSCGKSA-N 1 2 363.377 3.676 20 30 FHEDLO CCc1nc(C)c(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000328643983 946964005 /nfs/dbraw/zinc/96/40/05/946964005.db2.gz FQQRZHGGQRKJBL-CQSZACIVSA-N 1 2 373.526 3.972 20 30 FHEDLO CC[C@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328749397 947009952 /nfs/dbraw/zinc/00/99/52/947009952.db2.gz BNKQGCVURANKAZ-KZNAEPCWSA-N 1 2 352.519 3.714 20 30 FHEDLO CC[C@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000328749397 947009965 /nfs/dbraw/zinc/00/99/65/947009965.db2.gz BNKQGCVURANKAZ-KZNAEPCWSA-N 1 2 352.519 3.714 20 30 FHEDLO CC1(C)c2ccc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2NC1=O ZINC000328767815 947018045 /nfs/dbraw/zinc/01/80/45/947018045.db2.gz QBCYIKSIRIAGJU-UHFFFAOYSA-N 1 2 364.449 3.934 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCc3ccsc3C1)C2 ZINC000328824363 947040702 /nfs/dbraw/zinc/04/07/02/947040702.db2.gz GYYQMYXZTXLGME-AWEZNQCLSA-N 1 2 358.511 3.529 20 30 FHEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2cc(Cl)ccc2c1=O ZINC000193047376 947150700 /nfs/dbraw/zinc/15/07/00/947150700.db2.gz DVEWIERFOAEQNS-UHFFFAOYSA-N 1 2 358.854 3.505 20 30 FHEDLO C=CC[C@@H]1N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCC1(C)C ZINC000444878577 947305160 /nfs/dbraw/zinc/30/51/60/947305160.db2.gz PNJFIJYHGVRJBQ-SFHVURJKSA-N 1 2 356.514 3.958 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc2c1OCCO2 ZINC000093872235 947427372 /nfs/dbraw/zinc/42/73/72/947427372.db2.gz VZRJLNMEZDJGOO-RBUKOAKNSA-N 1 2 364.445 3.738 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc2c1OCCO2 ZINC000093872235 947427377 /nfs/dbraw/zinc/42/73/77/947427377.db2.gz VZRJLNMEZDJGOO-RBUKOAKNSA-N 1 2 364.445 3.738 20 30 FHEDLO N#Cc1cnc2c(Br)cccc2c1NCCNc1cccc[nH+]1 ZINC000440664606 947534386 /nfs/dbraw/zinc/53/43/86/947534386.db2.gz LLIWIRLLIVYXCP-UHFFFAOYSA-N 1 2 368.238 3.788 20 30 FHEDLO CCOc1ccccc1C[N@@H+]1CCN(c2ncc(C#N)cc2Cl)[C@@H](C)C1 ZINC000440665336 947566849 /nfs/dbraw/zinc/56/68/49/947566849.db2.gz FVJRIIPXVUXSKR-HNNXBMFYSA-N 1 2 370.884 3.716 20 30 FHEDLO CCOc1ccccc1C[N@H+]1CCN(c2ncc(C#N)cc2Cl)[C@@H](C)C1 ZINC000440665336 947566856 /nfs/dbraw/zinc/56/68/56/947566856.db2.gz FVJRIIPXVUXSKR-HNNXBMFYSA-N 1 2 370.884 3.716 20 30 FHEDLO C=CCC1(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@H]2C)CCC1 ZINC000441468306 947733942 /nfs/dbraw/zinc/73/39/42/947733942.db2.gz QLLHVCLPRNNBOO-GOSISDBHSA-N 1 2 356.510 3.864 20 30 FHEDLO C=CCC1(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@H]2C)CCC1 ZINC000441468306 947733947 /nfs/dbraw/zinc/73/39/47/947733947.db2.gz QLLHVCLPRNNBOO-GOSISDBHSA-N 1 2 356.510 3.864 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000278922490 948125417 /nfs/dbraw/zinc/12/54/17/948125417.db2.gz LTTKGLGWFFOAAJ-VHSXEESVSA-N 1 2 368.384 3.711 20 30 FHEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2sc(C)c(C)c2c1=O ZINC000193058783 948456400 /nfs/dbraw/zinc/45/64/00/948456400.db2.gz QBCDCOUZXIBCSD-UHFFFAOYSA-N 1 2 358.492 3.530 20 30 FHEDLO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(C(C)(C)C)cs1 ZINC000184455444 948591709 /nfs/dbraw/zinc/59/17/09/948591709.db2.gz RYCQAJIFNQDUOP-CQSZACIVSA-N 1 2 362.543 3.776 20 30 FHEDLO COC(=O)c1cc(F)ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507802421 948634838 /nfs/dbraw/zinc/63/48/38/948634838.db2.gz VAIUYYAYFPHWAT-UHFFFAOYSA-N 1 2 368.408 3.527 20 30 FHEDLO O=C(Cc1cn2ccccc2[nH+]1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000097063649 203823031 /nfs/dbraw/zinc/82/30/31/203823031.db2.gz PYIQLDHHAJFEAQ-UHFFFAOYSA-N 1 2 351.409 3.915 20 30 FHEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000108970124 206042235 /nfs/dbraw/zinc/04/22/35/206042235.db2.gz WBSJLZSTLMXTNI-UHFFFAOYSA-N 1 2 353.853 3.560 20 30 FHEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000108970124 206042239 /nfs/dbraw/zinc/04/22/39/206042239.db2.gz WBSJLZSTLMXTNI-UHFFFAOYSA-N 1 2 353.853 3.560 20 30 FHEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C(=O)OC ZINC000602735641 568025887 /nfs/dbraw/zinc/02/58/87/568025887.db2.gz YUMGGOSACLVHAK-SWLSCSKDSA-N 1 2 372.387 3.520 20 30 FHEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000481600513 568064405 /nfs/dbraw/zinc/06/44/05/568064405.db2.gz AGRCKMUKMJPRNY-FFZOFVMBSA-N 1 2 352.409 3.837 20 30 FHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OC)c(Cl)c2)c1C#N ZINC000568730280 568143996 /nfs/dbraw/zinc/14/39/96/568143996.db2.gz SNOYTVALYCVLDF-UHFFFAOYSA-N 1 2 358.825 3.639 20 30 FHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OC)c(Cl)c2)c1C#N ZINC000568730280 568143998 /nfs/dbraw/zinc/14/39/98/568143998.db2.gz SNOYTVALYCVLDF-UHFFFAOYSA-N 1 2 358.825 3.639 20 30 FHEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)on1 ZINC000603850879 568165232 /nfs/dbraw/zinc/16/52/32/568165232.db2.gz HDHJXKMEXJPUOM-QGZVFWFLSA-N 1 2 372.856 3.720 20 30 FHEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)on1 ZINC000603850879 568165233 /nfs/dbraw/zinc/16/52/33/568165233.db2.gz HDHJXKMEXJPUOM-QGZVFWFLSA-N 1 2 372.856 3.720 20 30 FHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)c1C#N ZINC000568933974 568253840 /nfs/dbraw/zinc/25/38/40/568253840.db2.gz NAZFKYZBDRWIMD-CHWSQXEVSA-N 1 2 354.429 3.526 20 30 FHEDLO COc1ccc([C@H](NC(=O)C[N@H+](CCC#N)CC(C)(C)C)C(C)C)cc1 ZINC000609487588 568345392 /nfs/dbraw/zinc/34/53/92/568345392.db2.gz HFVOQAYUUVCCAN-HXUWFJFHSA-N 1 2 359.514 3.770 20 30 FHEDLO COc1ccc([C@H](NC(=O)C[N@@H+](CCC#N)CC(C)(C)C)C(C)C)cc1 ZINC000609487588 568345393 /nfs/dbraw/zinc/34/53/93/568345393.db2.gz HFVOQAYUUVCCAN-HXUWFJFHSA-N 1 2 359.514 3.770 20 30 FHEDLO C=CCN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032238378 568388156 /nfs/dbraw/zinc/38/81/56/568388156.db2.gz GLBYZZSTIODKCZ-UHFFFAOYSA-N 1 2 362.389 3.609 20 30 FHEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)cnc3ccc(Cl)cc31)CCC2 ZINC000569790393 568424614 /nfs/dbraw/zinc/42/46/14/568424614.db2.gz HWYXRBZBLUCWGU-ZDUSSCGKSA-N 1 2 351.841 3.676 20 30 FHEDLO N#Cc1cnn2cc(C[N@H+]3CCSC[C@H]3c3ccc(Cl)cc3)cnc12 ZINC000569928289 568437722 /nfs/dbraw/zinc/43/77/22/568437722.db2.gz BXAOHBSJKCDEKI-KRWDZBQOSA-N 1 2 369.881 3.544 20 30 FHEDLO N#Cc1cnn2cc(C[N@@H+]3CCSC[C@H]3c3ccc(Cl)cc3)cnc12 ZINC000569928289 568437724 /nfs/dbraw/zinc/43/77/24/568437724.db2.gz BXAOHBSJKCDEKI-KRWDZBQOSA-N 1 2 369.881 3.544 20 30 FHEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)ccc1F ZINC000225537044 571161204 /nfs/dbraw/zinc/16/12/04/571161204.db2.gz VPHQWDDJRXMPHU-LBPRGKRZSA-N 1 2 352.335 3.819 20 30 FHEDLO N#Cc1cc(C[N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)ccc1F ZINC000225537044 571161206 /nfs/dbraw/zinc/16/12/06/571161206.db2.gz VPHQWDDJRXMPHU-LBPRGKRZSA-N 1 2 352.335 3.819 20 30 FHEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccc(CC)cc2)CC1 ZINC001165035253 721873340 /nfs/dbraw/zinc/87/33/40/721873340.db2.gz UBBUAUQDPGNTGE-UHFFFAOYSA-N 1 2 358.873 3.793 20 30 FHEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)on1 ZINC000052008090 936314135 /nfs/dbraw/zinc/31/41/35/936314135.db2.gz NQEYFLONIXDXFL-LJQANCHMSA-N 1 2 366.465 3.684 20 30 FHEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)on1 ZINC000052008090 936314141 /nfs/dbraw/zinc/31/41/41/936314141.db2.gz NQEYFLONIXDXFL-LJQANCHMSA-N 1 2 366.465 3.684 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)c1C ZINC000507239320 945066314 /nfs/dbraw/zinc/06/63/14/945066314.db2.gz ZDCSDPUVFAUJGB-JOCHJYFZSA-N 1 2 352.478 3.719 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1C ZINC000507239320 945066324 /nfs/dbraw/zinc/06/63/24/945066324.db2.gz ZDCSDPUVFAUJGB-JOCHJYFZSA-N 1 2 352.478 3.719 20 30 FHEDLO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167653284 937145808 /nfs/dbraw/zinc/14/58/08/937145808.db2.gz KHLPNGXVCJJCPH-KRWDZBQOSA-N 1 2 350.422 3.697 20 30 FHEDLO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167653284 937145809 /nfs/dbraw/zinc/14/58/09/937145809.db2.gz KHLPNGXVCJJCPH-KRWDZBQOSA-N 1 2 350.422 3.697 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)nc1 ZINC000583152223 937176151 /nfs/dbraw/zinc/17/61/51/937176151.db2.gz TZFLDMSKUBNVDL-JOCHJYFZSA-N 1 2 370.456 3.501 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)nc1 ZINC000583152223 937176153 /nfs/dbraw/zinc/17/61/53/937176153.db2.gz TZFLDMSKUBNVDL-JOCHJYFZSA-N 1 2 370.456 3.501 20 30 FHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(Cl)c3Cl)C2)nc1 ZINC000430188921 927706293 /nfs/dbraw/zinc/70/62/93/927706293.db2.gz WCLUDRZCAUAKDR-GFCCVEGCSA-N 1 2 354.262 3.975 20 30 FHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(Cl)c3Cl)C2)nc1 ZINC000430188921 927706297 /nfs/dbraw/zinc/70/62/97/927706297.db2.gz WCLUDRZCAUAKDR-GFCCVEGCSA-N 1 2 354.262 3.975 20 30 FHEDLO C=C(C)[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)c(F)c1 ZINC000275085810 929515619 /nfs/dbraw/zinc/51/56/19/929515619.db2.gz GSDFPHMCSMZUQY-PBHICJAKSA-N 1 2 360.408 3.894 20 30 FHEDLO COc1ccc(F)cc1C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000610346380 930051143 /nfs/dbraw/zinc/05/11/43/930051143.db2.gz FOGLRTDNXQNAML-UHFFFAOYSA-N 1 2 359.832 3.682 20 30 FHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000255170585 930276872 /nfs/dbraw/zinc/27/68/72/930276872.db2.gz ALPJDQMMGDBGIB-AXLWCPOOSA-N 1 2 359.451 3.693 20 30 FHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000255170585 930276875 /nfs/dbraw/zinc/27/68/75/930276875.db2.gz ALPJDQMMGDBGIB-AXLWCPOOSA-N 1 2 359.451 3.693 20 30 FHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000548793827 937420035 /nfs/dbraw/zinc/42/00/35/937420035.db2.gz WWTCUTOADYHKGR-UHFFFAOYSA-N 1 2 352.438 3.888 20 30 FHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000548098246 930705203 /nfs/dbraw/zinc/70/52/03/930705203.db2.gz ICRYBTFKVJCYQI-OKILXGFUSA-N 1 2 368.456 3.585 20 30 FHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000548098246 930705210 /nfs/dbraw/zinc/70/52/10/930705210.db2.gz ICRYBTFKVJCYQI-OKILXGFUSA-N 1 2 368.456 3.585 20 30 FHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000580559928 930856378 /nfs/dbraw/zinc/85/63/78/930856378.db2.gz GVJGNXKXAUHZCZ-CYBMUJFWSA-N 1 2 358.442 3.670 20 30 FHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC000580925314 931353309 /nfs/dbraw/zinc/35/33/09/931353309.db2.gz OZGVEQMSEYBGAC-FQEVSTJZSA-N 1 2 354.475 3.559 20 30 FHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC000580925314 931353324 /nfs/dbraw/zinc/35/33/24/931353324.db2.gz OZGVEQMSEYBGAC-FQEVSTJZSA-N 1 2 354.475 3.559 20 30 FHEDLO N#Cc1c(N2CCC(CCCn3cc[nH+]c3)CC2)nc2cc(Cl)ccn12 ZINC000561268233 931387010 /nfs/dbraw/zinc/38/70/10/931387010.db2.gz VQPZEWSIKXQSAD-UHFFFAOYSA-N 1 2 368.872 3.753 20 30 FHEDLO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000121265337 931445933 /nfs/dbraw/zinc/44/59/33/931445933.db2.gz GIGOZGGTNONQPV-RHSMWYFYSA-N 1 2 368.506 3.984 20 30 FHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156793172 931528301 /nfs/dbraw/zinc/52/83/01/931528301.db2.gz ZYWRTJYCQMNEIE-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156793172 931528307 /nfs/dbraw/zinc/52/83/07/931528307.db2.gz ZYWRTJYCQMNEIE-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000156806754 931545348 /nfs/dbraw/zinc/54/53/48/931545348.db2.gz FSSWGOKJWOLEQE-KXBFYZLASA-N 1 2 372.490 3.707 20 30 FHEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000156806754 931545353 /nfs/dbraw/zinc/54/53/53/931545353.db2.gz FSSWGOKJWOLEQE-KXBFYZLASA-N 1 2 372.490 3.707 20 30 FHEDLO Cc1cccn2c(/C=C\C(=O)c3cc4c(s3)SCC(=O)N4)c[nH+]c12 ZINC000588402882 931699062 /nfs/dbraw/zinc/69/90/62/931699062.db2.gz OYTRPJCOUBAWDJ-PLNGDYQASA-N 1 2 355.444 3.645 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000022136924 931819145 /nfs/dbraw/zinc/81/91/45/931819145.db2.gz LRDFBDXDZVWXNO-UHFFFAOYSA-N 1 2 374.513 4.000 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505528 932026370 /nfs/dbraw/zinc/02/63/70/932026370.db2.gz NQCDRODXBSMSOX-OXQOHEQNSA-N 1 2 351.425 3.908 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505528 932026375 /nfs/dbraw/zinc/02/63/75/932026375.db2.gz NQCDRODXBSMSOX-OXQOHEQNSA-N 1 2 351.425 3.908 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505526 932026613 /nfs/dbraw/zinc/02/66/13/932026613.db2.gz NQCDRODXBSMSOX-JXFKEZNVSA-N 1 2 351.425 3.908 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505526 932026622 /nfs/dbraw/zinc/02/66/22/932026622.db2.gz NQCDRODXBSMSOX-JXFKEZNVSA-N 1 2 351.425 3.908 20 30 FHEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000276271650 932138827 /nfs/dbraw/zinc/13/88/27/932138827.db2.gz QEXVFNPRNMPRMG-AWEZNQCLSA-N 1 2 371.428 3.904 20 30 FHEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000276271650 932138830 /nfs/dbraw/zinc/13/88/30/932138830.db2.gz QEXVFNPRNMPRMG-AWEZNQCLSA-N 1 2 371.428 3.904 20 30 FHEDLO CC(C)Oc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1C#N ZINC000157824344 932237448 /nfs/dbraw/zinc/23/74/48/932237448.db2.gz GQABDXGIHKQBJQ-UHFFFAOYSA-N 1 2 367.453 3.754 20 30 FHEDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1OCCCC#N ZINC000093102615 932618977 /nfs/dbraw/zinc/61/89/77/932618977.db2.gz USVRADQKXVVZGT-KRWDZBQOSA-N 1 2 374.481 3.684 20 30 FHEDLO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1OCCCC#N ZINC000093102615 932618985 /nfs/dbraw/zinc/61/89/85/932618985.db2.gz USVRADQKXVVZGT-KRWDZBQOSA-N 1 2 374.481 3.684 20 30 FHEDLO CC[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)C[C@@H](C)C#N ZINC000091982325 933931738 /nfs/dbraw/zinc/93/17/38/933931738.db2.gz ZKUFQOYPDQAUKQ-LBPRGKRZSA-N 1 2 353.260 3.592 20 30 FHEDLO CC[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)C[C@@H](C)C#N ZINC000091982325 933931740 /nfs/dbraw/zinc/93/17/40/933931740.db2.gz ZKUFQOYPDQAUKQ-LBPRGKRZSA-N 1 2 353.260 3.592 20 30 FHEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)COc1cccc(C#N)c1)c1ccccc1 ZINC000780373215 934124166 /nfs/dbraw/zinc/12/41/66/934124166.db2.gz MKNFYPMBFUGGQM-UZLBHIALSA-N 1 2 352.434 3.562 20 30 FHEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)COc1cccc(C#N)c1)c1ccccc1 ZINC000780373215 934124171 /nfs/dbraw/zinc/12/41/71/934124171.db2.gz MKNFYPMBFUGGQM-UZLBHIALSA-N 1 2 352.434 3.562 20 30 FHEDLO CC(C)[N@H+](CCC#N)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000535786014 934376726 /nfs/dbraw/zinc/37/67/26/934376726.db2.gz YJHZQMFZKMHHMN-UHFFFAOYSA-N 1 2 353.260 3.734 20 30 FHEDLO CC(C)[N@@H+](CCC#N)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000535786014 934376737 /nfs/dbraw/zinc/37/67/37/934376737.db2.gz YJHZQMFZKMHHMN-UHFFFAOYSA-N 1 2 353.260 3.734 20 30 FHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCOC(C)(C)C ZINC000610859682 934533026 /nfs/dbraw/zinc/53/30/26/934533026.db2.gz HIHDVDLFMJWGJB-OAHLLOKOSA-N 1 2 363.527 3.766 20 30 FHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCOC(C)(C)C ZINC000610859682 934533034 /nfs/dbraw/zinc/53/30/34/934533034.db2.gz HIHDVDLFMJWGJB-OAHLLOKOSA-N 1 2 363.527 3.766 20 30 FHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176269419 934711617 /nfs/dbraw/zinc/71/16/17/934711617.db2.gz SIEZEZJVTRXQQJ-MGPUTAFESA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176269419 934711620 /nfs/dbraw/zinc/71/16/20/934711620.db2.gz SIEZEZJVTRXQQJ-MGPUTAFESA-N 1 2 372.465 3.554 20 30 FHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC001167503934 934866951 /nfs/dbraw/zinc/86/69/51/934866951.db2.gz GBOGOZGLRBOMMS-FQEVSTJZSA-N 1 2 350.462 3.990 20 30 FHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC001167503934 934866954 /nfs/dbraw/zinc/86/69/54/934866954.db2.gz GBOGOZGLRBOMMS-FQEVSTJZSA-N 1 2 350.462 3.990 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000156689362 934869844 /nfs/dbraw/zinc/86/98/44/934869844.db2.gz FSIJNINDVPTANR-UHFFFAOYSA-N 1 2 365.481 3.586 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000156689362 934869852 /nfs/dbraw/zinc/86/98/52/934869852.db2.gz FSIJNINDVPTANR-UHFFFAOYSA-N 1 2 365.481 3.586 20 30 FHEDLO C#CCCCC(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000277421905 935147650 /nfs/dbraw/zinc/14/76/50/935147650.db2.gz BINHUYQBKCDRMR-UHFFFAOYSA-N 1 2 353.466 3.504 20 30 FHEDLO C[N@H+](Cc1ccccc1)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000588507029 935314068 /nfs/dbraw/zinc/31/40/68/935314068.db2.gz WEJSTEDIGZNNGJ-VFAFIFLJSA-N 1 2 353.422 3.630 20 30 FHEDLO C[N@@H+](Cc1ccccc1)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000588507029 935314074 /nfs/dbraw/zinc/31/40/74/935314074.db2.gz WEJSTEDIGZNNGJ-VFAFIFLJSA-N 1 2 353.422 3.630 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120025804 935469748 /nfs/dbraw/zinc/46/97/48/935469748.db2.gz SMSFUCQZXNBFQE-LLVKDONJSA-N 1 2 365.264 3.663 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120025804 935469750 /nfs/dbraw/zinc/46/97/50/935469750.db2.gz SMSFUCQZXNBFQE-LLVKDONJSA-N 1 2 365.264 3.663 20 30 FHEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000127482163 935575156 /nfs/dbraw/zinc/57/51/56/935575156.db2.gz PWXJFWPIWWIOMR-JOCHJYFZSA-N 1 2 371.419 3.961 20 30 FHEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000127482163 935575160 /nfs/dbraw/zinc/57/51/60/935575160.db2.gz PWXJFWPIWWIOMR-JOCHJYFZSA-N 1 2 371.419 3.961 20 30 FHEDLO C[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc(C#N)cc1 ZINC000046527602 936090043 /nfs/dbraw/zinc/09/00/43/936090043.db2.gz QSTUZBRPCZZMTR-UHFFFAOYSA-N 1 2 373.210 3.596 20 30 FHEDLO C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc(C#N)cc1 ZINC000046527602 936090048 /nfs/dbraw/zinc/09/00/48/936090048.db2.gz QSTUZBRPCZZMTR-UHFFFAOYSA-N 1 2 373.210 3.596 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(OC)cc1 ZINC000097504259 936091174 /nfs/dbraw/zinc/09/11/74/936091174.db2.gz KRZVZSNUMWQQGL-UHFFFAOYSA-N 1 2 369.852 3.847 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(OC)cc1 ZINC000097504259 936091179 /nfs/dbraw/zinc/09/11/79/936091179.db2.gz KRZVZSNUMWQQGL-UHFFFAOYSA-N 1 2 369.852 3.847 20 30 FHEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000582821706 936175583 /nfs/dbraw/zinc/17/55/83/936175583.db2.gz WBSBCBROFXOVCJ-QUCCMNQESA-N 1 2 352.482 3.991 20 30 FHEDLO COc1cc(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)ccc1C#N ZINC000582937295 936304231 /nfs/dbraw/zinc/30/42/31/936304231.db2.gz MINPCEWCSIOBRQ-UHFFFAOYSA-N 1 2 369.318 3.853 20 30 FHEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)C2CC2)cc1 ZINC000329154052 938270061 /nfs/dbraw/zinc/27/00/61/938270061.db2.gz UMSZGPGHGFTANE-SFHLNBCPSA-N 1 2 358.482 3.746 20 30 FHEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)C2CC2)cc1 ZINC000329154052 938270064 /nfs/dbraw/zinc/27/00/64/938270064.db2.gz UMSZGPGHGFTANE-SFHLNBCPSA-N 1 2 358.482 3.746 20 30 FHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000161890845 938423468 /nfs/dbraw/zinc/42/34/68/938423468.db2.gz ROWGHPWNGDJYLK-INIZCTEOSA-N 1 2 357.527 3.988 20 30 FHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000161890845 938423470 /nfs/dbraw/zinc/42/34/70/938423470.db2.gz ROWGHPWNGDJYLK-INIZCTEOSA-N 1 2 357.527 3.988 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000247369470 938464542 /nfs/dbraw/zinc/46/45/42/938464542.db2.gz RROQSEDNXIRLAZ-AKJBCIBTSA-N 1 2 372.534 3.904 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000247369470 938464545 /nfs/dbraw/zinc/46/45/45/938464545.db2.gz RROQSEDNXIRLAZ-AKJBCIBTSA-N 1 2 372.534 3.904 20 30 FHEDLO N#CCCC[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000458798141 938598195 /nfs/dbraw/zinc/59/81/95/938598195.db2.gz HGEAVNQEOLNHPV-GOSISDBHSA-N 1 2 351.454 3.734 20 30 FHEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000162266724 938951362 /nfs/dbraw/zinc/95/13/62/938951362.db2.gz SYEJZCGUBZNWOZ-UHFFFAOYSA-N 1 2 359.813 3.801 20 30 FHEDLO C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1cccc(C#N)c1 ZINC000611938855 938993504 /nfs/dbraw/zinc/99/35/04/938993504.db2.gz KWGLTACZDBSHKQ-QGZVFWFLSA-N 1 2 365.481 3.718 20 30 FHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1Cn1cccn1 ZINC000255723621 939147669 /nfs/dbraw/zinc/14/76/69/939147669.db2.gz JSTYBNMCMVTXHE-SREVYHEPSA-N 1 2 372.428 3.792 20 30 FHEDLO CC(C)c1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000612543619 940130146 /nfs/dbraw/zinc/13/01/46/940130146.db2.gz DRVSGYZTCDSVLW-JKSUJKDBSA-N 1 2 353.470 3.504 20 30 FHEDLO Cc1cccn2cc(CC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)[nH+]c12 ZINC000066394030 940478112 /nfs/dbraw/zinc/47/81/12/940478112.db2.gz VEHYOXXGZLKXTP-HNNXBMFYSA-N 1 2 373.243 3.873 20 30 FHEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1-c1nc2ccccc2s1 ZINC000414116681 940606577 /nfs/dbraw/zinc/60/65/77/940606577.db2.gz XGTAFXALSVKSRT-OAHLLOKOSA-N 1 2 367.474 3.548 20 30 FHEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1-c1nc2ccccc2s1 ZINC000414116681 940606579 /nfs/dbraw/zinc/60/65/79/940606579.db2.gz XGTAFXALSVKSRT-OAHLLOKOSA-N 1 2 367.474 3.548 20 30 FHEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1-c1nc2ccccc2s1 ZINC000414116680 940606781 /nfs/dbraw/zinc/60/67/81/940606781.db2.gz XGTAFXALSVKSRT-HNNXBMFYSA-N 1 2 367.474 3.548 20 30 FHEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1-c1nc2ccccc2s1 ZINC000414116680 940606783 /nfs/dbraw/zinc/60/67/83/940606783.db2.gz XGTAFXALSVKSRT-HNNXBMFYSA-N 1 2 367.474 3.548 20 30 FHEDLO C[C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc2ccccc2o1 ZINC000330077719 945347517 /nfs/dbraw/zinc/34/75/17/945347517.db2.gz NENDRSBZYUUWMZ-MGPUTAFESA-N 1 2 374.506 3.701 20 30 FHEDLO CC(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 ZINC000330129482 945369263 /nfs/dbraw/zinc/36/92/63/945369263.db2.gz OJRYRMQGJOYVAK-JRGCBEDISA-N 1 2 360.498 3.610 20 30 FHEDLO CC(C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 ZINC000330129482 945369275 /nfs/dbraw/zinc/36/92/75/945369275.db2.gz OJRYRMQGJOYVAK-JRGCBEDISA-N 1 2 360.498 3.610 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1C ZINC000177611650 941140702 /nfs/dbraw/zinc/14/07/02/941140702.db2.gz CVHQJHQCQHDDHG-HXUWFJFHSA-N 1 2 374.525 3.524 20 30 FHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376595400 941283140 /nfs/dbraw/zinc/28/31/40/941283140.db2.gz NEPVFBHOZHNUKQ-SFHVURJKSA-N 1 2 362.477 3.583 20 30 FHEDLO O=C(CCc1c[nH]c[nH+]1)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000330030880 941342036 /nfs/dbraw/zinc/34/20/36/941342036.db2.gz SFGNKVXLLJHSFE-OAHLLOKOSA-N 1 2 373.457 3.783 20 30 FHEDLO O=C(CCc1c[nH+]c[nH]1)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000330030880 941342041 /nfs/dbraw/zinc/34/20/41/941342041.db2.gz SFGNKVXLLJHSFE-OAHLLOKOSA-N 1 2 373.457 3.783 20 30 FHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000376861398 941453850 /nfs/dbraw/zinc/45/38/50/941453850.db2.gz SISQCDIKABOOKP-UHFFFAOYSA-N 1 2 364.474 3.809 20 30 FHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000376861398 941453853 /nfs/dbraw/zinc/45/38/53/941453853.db2.gz SISQCDIKABOOKP-UHFFFAOYSA-N 1 2 364.474 3.809 20 30 FHEDLO C#CC[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000783014997 941718674 /nfs/dbraw/zinc/71/86/74/941718674.db2.gz BWICLJXWHFKJGC-OAQYLSRUSA-N 1 2 364.493 3.850 20 30 FHEDLO N#CCCSc1ccccc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377587131 941825436 /nfs/dbraw/zinc/82/54/36/941825436.db2.gz WGPXHDWFMIHMCM-MRXNPFEDSA-N 1 2 366.490 3.942 20 30 FHEDLO N#CCCOCC[NH+]1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000549336875 941999333 /nfs/dbraw/zinc/99/93/33/941999333.db2.gz CFLMAKVEEKIRCK-UHFFFAOYSA-N 1 2 373.497 3.602 20 30 FHEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCn4c[nH+]cc4C3)c2)cc1 ZINC000377808714 942005717 /nfs/dbraw/zinc/00/57/17/942005717.db2.gz ZWDHZCXXUFVDHO-UHFFFAOYSA-N 1 2 359.389 3.595 20 30 FHEDLO C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(C#N)cc1 ZINC000541182944 942045502 /nfs/dbraw/zinc/04/55/02/942045502.db2.gz IAULOXFNGZFTCQ-KRWDZBQOSA-N 1 2 365.481 3.718 20 30 FHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000614495207 942229206 /nfs/dbraw/zinc/22/92/06/942229206.db2.gz LFHLFJKBRPPDGG-SFHVURJKSA-N 1 2 364.836 3.659 20 30 FHEDLO C[C@@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000505333878 942489280 /nfs/dbraw/zinc/48/92/80/942489280.db2.gz SVYFABIDYFJBQC-NVAPOSRTSA-N 1 2 374.488 3.660 20 30 FHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000501529080 942525614 /nfs/dbraw/zinc/52/56/14/942525614.db2.gz CRJPOMOODDSKPN-QGZVFWFLSA-N 1 2 362.315 3.822 20 30 FHEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000501799606 942682544 /nfs/dbraw/zinc/68/25/44/942682544.db2.gz AFZCTJRQYMRYPO-AWEZNQCLSA-N 1 2 356.388 3.606 20 30 FHEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000501799606 942682546 /nfs/dbraw/zinc/68/25/46/942682546.db2.gz AFZCTJRQYMRYPO-AWEZNQCLSA-N 1 2 356.388 3.606 20 30 FHEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000502935379 942853300 /nfs/dbraw/zinc/85/33/00/942853300.db2.gz MHRICQVZKPGDQZ-OAQYLSRUSA-N 1 2 362.408 3.987 20 30 FHEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000502935379 942853304 /nfs/dbraw/zinc/85/33/04/942853304.db2.gz MHRICQVZKPGDQZ-OAQYLSRUSA-N 1 2 362.408 3.987 20 30 FHEDLO C[C@H]1CSCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000190417635 943415294 /nfs/dbraw/zinc/41/52/94/943415294.db2.gz BGFGTYVNMNGZPA-CYBMUJFWSA-N 1 2 363.552 3.512 20 30 FHEDLO C[C@H]1CSCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000190417635 943415297 /nfs/dbraw/zinc/41/52/97/943415297.db2.gz BGFGTYVNMNGZPA-CYBMUJFWSA-N 1 2 363.552 3.512 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000515491241 943937039 /nfs/dbraw/zinc/93/70/39/943937039.db2.gz ZLNWUJUZZSDYQJ-JEBQAFNWSA-N 1 2 373.884 3.572 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000515491241 943937045 /nfs/dbraw/zinc/93/70/45/943937045.db2.gz ZLNWUJUZZSDYQJ-JEBQAFNWSA-N 1 2 373.884 3.572 20 30 FHEDLO C=C(C)C(C)(C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000424645065 944030513 /nfs/dbraw/zinc/03/05/13/944030513.db2.gz NQLGMJHLPYOGGW-UHFFFAOYSA-N 1 2 351.454 3.864 20 30 FHEDLO CC1(C)CN(CC#CC[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)[C@H]1c1ccncc1 ZINC000664831946 944279078 /nfs/dbraw/zinc/27/90/78/944279078.db2.gz GUAXHJFDHZQKRC-VXKWHMMOSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)CN(CC#CC[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)[C@H]1c1ccncc1 ZINC000664831946 944279082 /nfs/dbraw/zinc/27/90/82/944279082.db2.gz GUAXHJFDHZQKRC-VXKWHMMOSA-N 1 2 374.532 3.946 20 30 FHEDLO N#Cc1cc(F)ccc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000518350241 944291160 /nfs/dbraw/zinc/29/11/60/944291160.db2.gz KUKUEXZTUHNSQP-UHFFFAOYSA-N 1 2 359.832 3.552 20 30 FHEDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000517540699 944371229 /nfs/dbraw/zinc/37/12/29/944371229.db2.gz HPGUXPALZOOVFW-OAQYLSRUSA-N 1 2 360.461 3.982 20 30 FHEDLO O=C(NCCCNc1cccc[nH+]1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111770929 944428602 /nfs/dbraw/zinc/42/86/02/944428602.db2.gz MUUWGVGIHCZFCR-UHFFFAOYSA-N 1 2 371.444 3.500 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1Cl ZINC000506579732 944627484 /nfs/dbraw/zinc/62/74/84/944627484.db2.gz QLAMKVZSQKZVPH-UHFFFAOYSA-N 1 2 362.823 3.975 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1Cl ZINC000506579732 944627491 /nfs/dbraw/zinc/62/74/91/944627491.db2.gz QLAMKVZSQKZVPH-UHFFFAOYSA-N 1 2 362.823 3.975 20 30 FHEDLO CCCCCCCC(=O)N1CCCC2(C[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001270134148 944703202 /nfs/dbraw/zinc/70/32/02/944703202.db2.gz HKJICIVCZHJXAV-UHFFFAOYSA-N 1 2 360.546 3.513 20 30 FHEDLO C[C@H](c1ccccc1Br)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000506935514 944776856 /nfs/dbraw/zinc/77/68/56/944776856.db2.gz CCDSLPMOSYVGTH-CQSZACIVSA-N 1 2 371.282 3.599 20 30 FHEDLO N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000517898803 944809937 /nfs/dbraw/zinc/80/99/37/944809937.db2.gz YFDNPLNJOXPGPE-GOSISDBHSA-N 1 2 371.893 3.940 20 30 FHEDLO C[C@H](c1ccccc1Br)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000140374753 944866605 /nfs/dbraw/zinc/86/66/05/944866605.db2.gz MXUWYSYGHUGGLR-CQSZACIVSA-N 1 2 371.282 3.599 20 30 FHEDLO Clc1ccc(C#CC[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1 ZINC000426459954 944871137 /nfs/dbraw/zinc/87/11/37/944871137.db2.gz MHMIPCDJGLPAQC-UHFFFAOYSA-N 1 2 368.893 3.518 20 30 FHEDLO N#CC1(F)CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000425672968 944897265 /nfs/dbraw/zinc/89/72/65/944897265.db2.gz MDSNWDDMXINZOE-UHFFFAOYSA-N 1 2 367.428 3.746 20 30 FHEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000505923519 944915544 /nfs/dbraw/zinc/91/55/44/944915544.db2.gz VGVGLZHIKDQOKF-QGZVFWFLSA-N 1 2 370.334 3.886 20 30 FHEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000506341741 944979366 /nfs/dbraw/zinc/97/93/66/944979366.db2.gz QNLFVJUSIJQGOO-UHFFFAOYSA-N 1 2 361.367 3.621 20 30 FHEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330143256 945375179 /nfs/dbraw/zinc/37/51/79/945375179.db2.gz YSEHNJOUDXZUPP-NLDJYOPPSA-N 1 2 364.461 3.502 20 30 FHEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330143256 945375195 /nfs/dbraw/zinc/37/51/95/945375195.db2.gz YSEHNJOUDXZUPP-NLDJYOPPSA-N 1 2 364.461 3.502 20 30 FHEDLO O=C(N[C@@H]1CCCc2c[nH]nc21)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000330142432 945375806 /nfs/dbraw/zinc/37/58/06/945375806.db2.gz YHINDXOJIXFQKO-MSOLQXFVSA-N 1 2 356.445 3.937 20 30 FHEDLO O=C(N[C@@H]1CCCc2c[nH]nc21)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000330142432 945375816 /nfs/dbraw/zinc/37/58/16/945375816.db2.gz YHINDXOJIXFQKO-MSOLQXFVSA-N 1 2 356.445 3.937 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)C[C@]2(CCOC2)O1 ZINC000330158984 945381274 /nfs/dbraw/zinc/38/12/74/945381274.db2.gz QMNOBZHETBALQG-BJZITVGISA-N 1 2 366.889 3.627 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)C[C@]2(CCOC2)O1 ZINC000330158984 945381276 /nfs/dbraw/zinc/38/12/76/945381276.db2.gz QMNOBZHETBALQG-BJZITVGISA-N 1 2 366.889 3.627 20 30 FHEDLO CC[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1)c1ccc(Cl)cc1 ZINC000330164399 945382736 /nfs/dbraw/zinc/38/27/36/945382736.db2.gz VYHHCAFQBMQHSB-UCLAIMLFSA-N 1 2 366.889 3.627 20 30 FHEDLO CC[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1)c1ccc(Cl)cc1 ZINC000330164399 945382742 /nfs/dbraw/zinc/38/27/42/945382742.db2.gz VYHHCAFQBMQHSB-UCLAIMLFSA-N 1 2 366.889 3.627 20 30 FHEDLO CC(C)(O)[C@@H]1CCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330263500 945432839 /nfs/dbraw/zinc/43/28/39/945432839.db2.gz WOUMRXFHBXNHGX-SFHVURJKSA-N 1 2 368.481 3.667 20 30 FHEDLO Cc1[nH]c2ccc(C(=O)N[C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cc2c1C ZINC000330336765 945606711 /nfs/dbraw/zinc/60/67/11/945606711.db2.gz SSMZXCRCGPSFQO-DNVCBOLYSA-N 1 2 352.438 3.743 20 30 FHEDLO CCC[C@H](NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC000330340749 945630806 /nfs/dbraw/zinc/63/08/06/945630806.db2.gz YJFQRFZFSHDXDG-AOIWGVFYSA-N 1 2 362.518 3.893 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000027775491 945757049 /nfs/dbraw/zinc/75/70/49/945757049.db2.gz QIUSWNGBKMROMI-UHFFFAOYSA-N 1 2 359.813 3.875 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000027775491 945757050 /nfs/dbraw/zinc/75/70/50/945757050.db2.gz QIUSWNGBKMROMI-UHFFFAOYSA-N 1 2 359.813 3.875 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519907343 945871564 /nfs/dbraw/zinc/87/15/64/945871564.db2.gz VTFALFBNQJLSSZ-QFIPXVFZSA-N 1 2 367.468 3.882 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519907343 945871579 /nfs/dbraw/zinc/87/15/79/945871579.db2.gz VTFALFBNQJLSSZ-QFIPXVFZSA-N 1 2 367.468 3.882 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000441112262 946221998 /nfs/dbraw/zinc/22/19/98/946221998.db2.gz CPPQYTQYWYTANP-JTHBVZDNSA-N 1 2 361.489 3.840 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000441112262 946222008 /nfs/dbraw/zinc/22/20/08/946222008.db2.gz CPPQYTQYWYTANP-JTHBVZDNSA-N 1 2 361.489 3.840 20 30 FHEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000441158301 946267640 /nfs/dbraw/zinc/26/76/40/946267640.db2.gz PJWFPXVKXISEJB-UHFFFAOYSA-N 1 2 370.855 3.725 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cscn2)ccc1Cl ZINC000595668045 946330654 /nfs/dbraw/zinc/33/06/54/946330654.db2.gz JVVQZQBECQDFEG-ZDUSSCGKSA-N 1 2 362.886 3.702 20 30 FHEDLO C=C(C)[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302863934 946358048 /nfs/dbraw/zinc/35/80/48/946358048.db2.gz XEMQPNNUKNCWGL-MGPUTAFESA-N 1 2 374.435 3.835 20 30 FHEDLO C=C(C)[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302863934 946358062 /nfs/dbraw/zinc/35/80/62/946358062.db2.gz XEMQPNNUKNCWGL-MGPUTAFESA-N 1 2 374.435 3.835 20 30 FHEDLO C=CCOc1cccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000475124702 946445538 /nfs/dbraw/zinc/44/55/38/946445538.db2.gz ZDNLWWJLQAWTDF-UHFFFAOYSA-N 1 2 357.360 3.826 20 30 FHEDLO Cc1ccc(OC2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000441393174 946548415 /nfs/dbraw/zinc/54/84/15/946548415.db2.gz LIOJMVZBYHWXDE-UHFFFAOYSA-N 1 2 374.444 3.960 20 30 FHEDLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715337 946649642 /nfs/dbraw/zinc/64/96/42/946649642.db2.gz CGJNZLOXKYAJPL-UHFFFAOYSA-N 1 2 363.461 3.657 20 30 FHEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508493191 946679198 /nfs/dbraw/zinc/67/91/98/946679198.db2.gz LANSMXHOQPTXGW-UHFFFAOYSA-N 1 2 359.905 3.563 20 30 FHEDLO CC[C@H](C#N)Oc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000113925519 946932331 /nfs/dbraw/zinc/93/23/31/946932331.db2.gz HSCUTQNRCRPAQH-QGZVFWFLSA-N 1 2 351.454 3.760 20 30 FHEDLO CC[C@H](C#N)Oc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000113925519 946932336 /nfs/dbraw/zinc/93/23/36/946932336.db2.gz HSCUTQNRCRPAQH-QGZVFWFLSA-N 1 2 351.454 3.760 20 30 FHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000328731651 947026611 /nfs/dbraw/zinc/02/66/11/947026611.db2.gz IPCXNACYPKOECO-AKHDSKFASA-N 1 2 350.466 3.523 20 30 FHEDLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000328897659 947086798 /nfs/dbraw/zinc/08/67/98/947086798.db2.gz CUMWAVWUJIPNLG-HLLBOEOZSA-N 1 2 367.449 3.643 20 30 FHEDLO N#CCCCOc1ccc[nH+]c1NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000188472195 947147936 /nfs/dbraw/zinc/14/79/36/947147936.db2.gz KUMFIKCFPNFROJ-UHFFFAOYSA-N 1 2 365.412 3.760 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444719655 947161081 /nfs/dbraw/zinc/16/10/81/947161081.db2.gz ZLRBLCCVLURIJW-WDEREUQCSA-N 1 2 371.428 3.710 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444719655 947161075 /nfs/dbraw/zinc/16/10/75/947161075.db2.gz ZLRBLCCVLURIJW-WDEREUQCSA-N 1 2 371.428 3.710 20 30 FHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000245638923 947218594 /nfs/dbraw/zinc/21/85/94/947218594.db2.gz HEOVJPFADIOIJW-DZGCQCFKSA-N 1 2 350.532 3.576 20 30 FHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000245638923 947218602 /nfs/dbraw/zinc/21/86/02/947218602.db2.gz HEOVJPFADIOIJW-DZGCQCFKSA-N 1 2 350.532 3.576 20 30 FHEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444785139 947225946 /nfs/dbraw/zinc/22/59/46/947225946.db2.gz PPCVPLLPKXZMPC-OAHLLOKOSA-N 1 2 350.853 3.967 20 30 FHEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)OCC ZINC000665011556 947304035 /nfs/dbraw/zinc/30/40/35/947304035.db2.gz WHPYAJVYHGRWNH-NEWSRXKRSA-N 1 2 371.481 3.555 20 30 FHEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)OCC ZINC000665011556 947304043 /nfs/dbraw/zinc/30/40/43/947304043.db2.gz WHPYAJVYHGRWNH-NEWSRXKRSA-N 1 2 371.481 3.555 20 30 FHEDLO N#Cc1ccccc1Cn1cccc1CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000508518317 947488426 /nfs/dbraw/zinc/48/84/26/947488426.db2.gz MSIOLUQIRROMCB-UHFFFAOYSA-N 1 2 368.444 3.660 20 30 FHEDLO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1c(F)cccc1Cl ZINC000181742436 948232025 /nfs/dbraw/zinc/23/20/25/948232025.db2.gz CSUCGFMBCNJXAY-CYBMUJFWSA-N 1 2 351.853 3.815 20 30 FHEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2Oc2cncc(Cl)c2)C1 ZINC000895079898 948249056 /nfs/dbraw/zinc/24/90/56/948249056.db2.gz YGRDBYWKEXTWMH-GOSISDBHSA-N 1 2 361.804 3.517 20 30 FHEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(F)ccc2Oc2cncc(Cl)c2)C1 ZINC000895079898 948249061 /nfs/dbraw/zinc/24/90/61/948249061.db2.gz YGRDBYWKEXTWMH-GOSISDBHSA-N 1 2 361.804 3.517 20 30 FHEDLO C[C@H](CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000441602506 948346290 /nfs/dbraw/zinc/34/62/90/948346290.db2.gz IYGNAZFDIARSLH-LJQANCHMSA-N 1 2 361.489 3.786 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)cc1OC ZINC000093079962 948486534 /nfs/dbraw/zinc/48/65/34/948486534.db2.gz CXIFAVMPKSFQHH-JOCHJYFZSA-N 1 2 369.461 3.842 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)cc1OC ZINC000093079962 948486538 /nfs/dbraw/zinc/48/65/38/948486538.db2.gz CXIFAVMPKSFQHH-JOCHJYFZSA-N 1 2 369.461 3.842 20 30 FHEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)c1cn(CCC#N)c3ccccc13)CCO2 ZINC000512162415 948597892 /nfs/dbraw/zinc/59/78/92/948597892.db2.gz JQNCKXICLKVXFY-UHFFFAOYSA-N 1 2 373.456 3.941 20 30 FHEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)c1cn(CCC#N)c3ccccc13)CCO2 ZINC000512162415 948597900 /nfs/dbraw/zinc/59/79/00/948597900.db2.gz JQNCKXICLKVXFY-UHFFFAOYSA-N 1 2 373.456 3.941 20 30 FHEDLO N#CC1(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)CCC1 ZINC000520727520 948719401 /nfs/dbraw/zinc/71/94/01/948719401.db2.gz JKEFJKKKBQCZSY-UHFFFAOYSA-N 1 2 353.495 3.649 20 30 FHEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000045027018 205116233 /nfs/dbraw/zinc/11/62/33/205116233.db2.gz VFHGTHFFHJNQDY-UHFFFAOYSA-N 1 2 354.841 3.561 20 30 FHEDLO C=CCC[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000186612950 567959091 /nfs/dbraw/zinc/95/90/91/567959091.db2.gz FJMBVFZULZMSSI-ICSRJNTNSA-N 1 2 351.494 3.951 20 30 FHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(C(F)(F)F)s1 ZINC000568328196 568024737 /nfs/dbraw/zinc/02/47/37/568024737.db2.gz KAHFTMFLDLZNCS-UHFFFAOYSA-N 1 2 355.385 3.682 20 30 FHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(C(F)(F)F)s1 ZINC000568328196 568024739 /nfs/dbraw/zinc/02/47/39/568024739.db2.gz KAHFTMFLDLZNCS-UHFFFAOYSA-N 1 2 355.385 3.682 20 30 FHEDLO N#CC1(Cc2cn(Cc3[nH+]ccn3Cc3ccccc3)nn2)CCCCC1 ZINC000603204331 568073284 /nfs/dbraw/zinc/07/32/84/568073284.db2.gz VEPFSWDGAXSQKX-UHFFFAOYSA-N 1 2 360.465 3.588 20 30 FHEDLO CC(C)(C#N)c1ccccc1Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000603249510 568078340 /nfs/dbraw/zinc/07/83/40/568078340.db2.gz HMXSMGFCWXQNAY-UHFFFAOYSA-N 1 2 363.440 3.556 20 30 FHEDLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000481692312 568089307 /nfs/dbraw/zinc/08/93/07/568089307.db2.gz JWCPYFMIOCPMAF-PWIZWCRZSA-N 1 2 352.409 3.837 20 30 FHEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)on1 ZINC000603850878 568165226 /nfs/dbraw/zinc/16/52/26/568165226.db2.gz HDHJXKMEXJPUOM-KRWDZBQOSA-N 1 2 372.856 3.720 20 30 FHEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)on1 ZINC000603850878 568165227 /nfs/dbraw/zinc/16/52/27/568165227.db2.gz HDHJXKMEXJPUOM-KRWDZBQOSA-N 1 2 372.856 3.720 20 30 FHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000330315600 568236650 /nfs/dbraw/zinc/23/66/50/568236650.db2.gz YVEMNFKKBDEAPI-YESZJQIVSA-N 1 2 358.486 3.521 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)co3)CC2)s1 ZINC000568996290 568265456 /nfs/dbraw/zinc/26/54/56/568265456.db2.gz DABMYBSUHQTTKW-UHFFFAOYSA-N 1 2 364.474 3.593 20 30 FHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)Cc1ccccc1C)Cc1cccc(C#N)c1 ZINC000604487255 568298348 /nfs/dbraw/zinc/29/83/48/568298348.db2.gz IPERLMXJBGFGDI-LJQANCHMSA-N 1 2 361.489 3.602 20 30 FHEDLO C=CC[N@H+](CC(=O)N[C@H](C)Cc1ccccc1C)Cc1cccc(C#N)c1 ZINC000604487255 568298349 /nfs/dbraw/zinc/29/83/49/568298349.db2.gz IPERLMXJBGFGDI-LJQANCHMSA-N 1 2 361.489 3.602 20 30 FHEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000609484425 568344618 /nfs/dbraw/zinc/34/46/18/568344618.db2.gz BWDDVMWHSIHXAC-INIZCTEOSA-N 1 2 356.297 3.538 20 30 FHEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000609484959 568345124 /nfs/dbraw/zinc/34/51/24/568345124.db2.gz HERZOPYNNNYRLR-HXUWFJFHSA-N 1 2 350.466 3.540 20 30 FHEDLO Cc1c(Cl)c(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)nc2ccccc12 ZINC000609486181 568346256 /nfs/dbraw/zinc/34/62/56/568346256.db2.gz FHLUJVRAWSOAKI-LJQANCHMSA-N 1 2 356.901 3.862 20 30 FHEDLO C=CC[C@H](C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000604913852 568388478 /nfs/dbraw/zinc/38/84/78/568388478.db2.gz AZMXADWPDYPIHU-BBRMVZONSA-N 1 2 353.869 3.880 20 30 FHEDLO N#Cc1ccc(NCC[N@@H+]2CCc3sccc3C2)c(Br)c1 ZINC000301892546 568397958 /nfs/dbraw/zinc/39/79/58/568397958.db2.gz VUFVTEBYWBYJCU-UHFFFAOYSA-N 1 2 362.296 3.852 20 30 FHEDLO N#Cc1ccc(NCC[N@H+]2CCc3sccc3C2)c(Br)c1 ZINC000301892546 568397959 /nfs/dbraw/zinc/39/79/59/568397959.db2.gz VUFVTEBYWBYJCU-UHFFFAOYSA-N 1 2 362.296 3.852 20 30 FHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000369216047 568575891 /nfs/dbraw/zinc/57/58/91/568575891.db2.gz RQJYWDQDARQYFE-UHFFFAOYSA-N 1 2 362.296 3.963 20 30 FHEDLO C#CCCCC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365452181 568717010 /nfs/dbraw/zinc/71/70/10/568717010.db2.gz GCMBXOBWLBPURS-UHFFFAOYSA-N 1 2 356.514 3.529 20 30 FHEDLO C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000728182432 927064049 /nfs/dbraw/zinc/06/40/49/927064049.db2.gz PQUHVGYGZXZNHP-UHFFFAOYSA-N 1 2 369.424 3.993 20 30 FHEDLO CC(C)(C#N)CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000123672012 937169575 /nfs/dbraw/zinc/16/95/75/937169575.db2.gz ZTTDLBMWCYIIOP-UHFFFAOYSA-N 1 2 355.511 3.895 20 30 FHEDLO C#CC[N@@H+](CN1C[C@H](c2cccc(F)c2)CC1=O)[C@@H]1CCc2ccccc21 ZINC000728196715 928055717 /nfs/dbraw/zinc/05/57/17/928055717.db2.gz SVDFYNNKYZODHH-DENIHFKCSA-N 1 2 362.448 3.722 20 30 FHEDLO C#CC[N@H+](CN1C[C@H](c2cccc(F)c2)CC1=O)[C@@H]1CCc2ccccc21 ZINC000728196715 928055731 /nfs/dbraw/zinc/05/57/31/928055731.db2.gz SVDFYNNKYZODHH-DENIHFKCSA-N 1 2 362.448 3.722 20 30 FHEDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000430237820 928396103 /nfs/dbraw/zinc/39/61/03/928396103.db2.gz JFJXABLFASZNKG-RBUKOAKNSA-N 1 2 351.406 3.875 20 30 FHEDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000430237820 928396109 /nfs/dbraw/zinc/39/61/09/928396109.db2.gz JFJXABLFASZNKG-RBUKOAKNSA-N 1 2 351.406 3.875 20 30 FHEDLO C=CCOc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1OC ZINC000274975272 929093385 /nfs/dbraw/zinc/09/33/85/929093385.db2.gz JACCPHSNSIHPDB-UHFFFAOYSA-N 1 2 360.454 3.853 20 30 FHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000134670045 929125667 /nfs/dbraw/zinc/12/56/67/929125667.db2.gz LSUGZEDDWJWMQF-INIZCTEOSA-N 1 2 363.461 3.731 20 30 FHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000134670045 929125679 /nfs/dbraw/zinc/12/56/79/929125679.db2.gz LSUGZEDDWJWMQF-INIZCTEOSA-N 1 2 363.461 3.731 20 30 FHEDLO C=CC[S@](=O)(=NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000891382568 931982349 /nfs/dbraw/zinc/98/23/49/931982349.db2.gz PDMHKEKEYWBZPY-HWRSSNJWSA-N 1 2 371.384 3.616 20 30 FHEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566095 933081913 /nfs/dbraw/zinc/08/19/13/933081913.db2.gz FYDKGHBCATUDKY-YWZLYKJASA-N 1 2 368.412 3.677 20 30 FHEDLO Cc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@H](c4ccnn4C)C3)sc2c1 ZINC000328907171 933154277 /nfs/dbraw/zinc/15/42/77/933154277.db2.gz LIACLSHWFCZBRI-CQSZACIVSA-N 1 2 369.494 3.806 20 30 FHEDLO Cc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H](c4ccnn4C)C3)sc2c1 ZINC000328907171 933154280 /nfs/dbraw/zinc/15/42/80/933154280.db2.gz LIACLSHWFCZBRI-CQSZACIVSA-N 1 2 369.494 3.806 20 30 FHEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510619895 933302818 /nfs/dbraw/zinc/30/28/18/933302818.db2.gz XLWHUZWMELRICB-JOCHJYFZSA-N 1 2 361.489 3.662 20 30 FHEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510619895 933302824 /nfs/dbraw/zinc/30/28/24/933302824.db2.gz XLWHUZWMELRICB-JOCHJYFZSA-N 1 2 361.489 3.662 20 30 FHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC001167503935 934866673 /nfs/dbraw/zinc/86/66/73/934866673.db2.gz GBOGOZGLRBOMMS-HXUWFJFHSA-N 1 2 350.462 3.990 20 30 FHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC001167503935 934866679 /nfs/dbraw/zinc/86/66/79/934866679.db2.gz GBOGOZGLRBOMMS-HXUWFJFHSA-N 1 2 350.462 3.990 20 30 FHEDLO Cc1ccccc1C1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000472124274 935097202 /nfs/dbraw/zinc/09/72/02/935097202.db2.gz MZUSLSJTMOZBPJ-UHFFFAOYSA-N 1 2 373.500 3.633 20 30 FHEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000582392308 935631246 /nfs/dbraw/zinc/63/12/46/935631246.db2.gz WKATVZAEIJADJW-LBPRGKRZSA-N 1 2 363.387 3.746 20 30 FHEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000684928740 935853763 /nfs/dbraw/zinc/85/37/63/935853763.db2.gz VIOFOWWBDXLUDK-QGZVFWFLSA-N 1 2 369.431 3.887 20 30 FHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1C#N ZINC000078674567 936237508 /nfs/dbraw/zinc/23/75/08/936237508.db2.gz KWSVBAZFTCLTDN-UHFFFAOYSA-N 1 2 365.437 3.604 20 30 FHEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)C2CC2)cc1 ZINC000329154050 938270155 /nfs/dbraw/zinc/27/01/55/938270155.db2.gz UMSZGPGHGFTANE-QKNQBKEWSA-N 1 2 358.482 3.746 20 30 FHEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)C2CC2)cc1 ZINC000329154050 938270156 /nfs/dbraw/zinc/27/01/56/938270156.db2.gz UMSZGPGHGFTANE-QKNQBKEWSA-N 1 2 358.482 3.746 20 30 FHEDLO C=CCN1CC[C@H]([NH+]2CCC(c3c(Cl)cccc3Cl)CC2)C1=O ZINC000583657285 938345254 /nfs/dbraw/zinc/34/52/54/938345254.db2.gz GTXHHGNHTUHXNQ-INIZCTEOSA-N 1 2 353.293 3.960 20 30 FHEDLO Cc1cccc(CNC(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000329342568 938359836 /nfs/dbraw/zinc/35/98/36/938359836.db2.gz BYKFYQVABRCZAT-UHFFFAOYSA-N 1 2 371.525 3.566 20 30 FHEDLO Cc1cccc(CNC(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000329342568 938359840 /nfs/dbraw/zinc/35/98/40/938359840.db2.gz BYKFYQVABRCZAT-UHFFFAOYSA-N 1 2 371.525 3.566 20 30 FHEDLO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246821287 938405321 /nfs/dbraw/zinc/40/53/21/938405321.db2.gz QAPVRXHTUUJFIZ-OALUTQOASA-N 1 2 371.843 3.834 20 30 FHEDLO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246821287 938405323 /nfs/dbraw/zinc/40/53/23/938405323.db2.gz QAPVRXHTUUJFIZ-OALUTQOASA-N 1 2 371.843 3.834 20 30 FHEDLO C=CCn1c2ccccc2n(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1=S ZINC000246980047 938424181 /nfs/dbraw/zinc/42/41/81/938424181.db2.gz OWPPBSUHVDABKD-SJORKVTESA-N 1 2 361.536 3.522 20 30 FHEDLO C=CCn1c2ccccc2n(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1=S ZINC000246980047 938424182 /nfs/dbraw/zinc/42/41/82/938424182.db2.gz OWPPBSUHVDABKD-SJORKVTESA-N 1 2 361.536 3.522 20 30 FHEDLO CC1(C)CCCc2sc(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)nc21 ZINC000329567425 938490488 /nfs/dbraw/zinc/49/04/88/938490488.db2.gz LBYYZJXNKNEFGI-ZDUSSCGKSA-N 1 2 371.510 3.757 20 30 FHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000584048255 938567947 /nfs/dbraw/zinc/56/79/47/938567947.db2.gz IYOOVFXAJQNGNL-INIZCTEOSA-N 1 2 359.857 3.751 20 30 FHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000584048255 938567949 /nfs/dbraw/zinc/56/79/49/938567949.db2.gz IYOOVFXAJQNGNL-INIZCTEOSA-N 1 2 359.857 3.751 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000151558593 938574932 /nfs/dbraw/zinc/57/49/32/938574932.db2.gz YZTOJFGQFYQBTA-UHFFFAOYSA-N 1 2 373.268 3.929 20 30 FHEDLO COC(=O)c1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000151558593 938574933 /nfs/dbraw/zinc/57/49/33/938574933.db2.gz YZTOJFGQFYQBTA-UHFFFAOYSA-N 1 2 373.268 3.929 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1C ZINC000506016248 945203902 /nfs/dbraw/zinc/20/39/02/945203902.db2.gz AMKYAFMAGODLKU-UHFFFAOYSA-N 1 2 360.889 3.661 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000151899030 938876758 /nfs/dbraw/zinc/87/67/58/938876758.db2.gz GSLBMSNACIICOD-AZUAARDMSA-N 1 2 352.409 3.884 20 30 FHEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000151899030 938876760 /nfs/dbraw/zinc/87/67/60/938876760.db2.gz GSLBMSNACIICOD-AZUAARDMSA-N 1 2 352.409 3.884 20 30 FHEDLO O[C@H](C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1)C(F)(F)F ZINC000093766636 938929837 /nfs/dbraw/zinc/92/98/37/938929837.db2.gz VNAJVQJHTYUKFM-CYBMUJFWSA-N 1 2 359.285 3.980 20 30 FHEDLO N#CCCC[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000458803837 938964130 /nfs/dbraw/zinc/96/41/30/938964130.db2.gz RPHKOCJAEHWETR-SFHVURJKSA-N 1 2 351.454 3.734 20 30 FHEDLO N#CCCC[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000458803837 938964131 /nfs/dbraw/zinc/96/41/31/938964131.db2.gz RPHKOCJAEHWETR-SFHVURJKSA-N 1 2 351.454 3.734 20 30 FHEDLO C=CC[N@H+](Cc1ncc(C(C)(C)C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255519 945257166 /nfs/dbraw/zinc/25/71/66/945257166.db2.gz OFQCIXRNDNXUAP-OAHLLOKOSA-N 1 2 366.469 3.697 20 30 FHEDLO C=CC[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255519 945257171 /nfs/dbraw/zinc/25/71/71/945257171.db2.gz OFQCIXRNDNXUAP-OAHLLOKOSA-N 1 2 366.469 3.697 20 30 FHEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1 ZINC000506032012 945258041 /nfs/dbraw/zinc/25/80/41/945258041.db2.gz OIICBJXGMWQIKQ-UHFFFAOYSA-N 1 2 374.488 3.945 20 30 FHEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)nnn1-c1ccc(F)cc1 ZINC000255850711 939973754 /nfs/dbraw/zinc/97/37/54/939973754.db2.gz ZPSDPHGMEPUOEG-HJWRWDBZSA-N 1 2 361.380 3.567 20 30 FHEDLO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1Cl)CCC2 ZINC000365296649 940115215 /nfs/dbraw/zinc/11/52/15/940115215.db2.gz DIWKDPMUCRCOGQ-UGSOOPFHSA-N 1 2 358.873 3.783 20 30 FHEDLO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)c1cccc(C#N)c1O ZINC000924572854 940610884 /nfs/dbraw/zinc/61/08/84/940610884.db2.gz FXUQTFLZHUWUGG-MRXNPFEDSA-N 1 2 356.422 3.531 20 30 FHEDLO N#CCC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2c(F)cccc21)c1ccccc1 ZINC000376321623 940769113 /nfs/dbraw/zinc/76/91/13/940769113.db2.gz ZUXVAUDXPHEDMV-ZWKOTPCHSA-N 1 2 358.438 3.679 20 30 FHEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000170691268 940777994 /nfs/dbraw/zinc/77/79/94/940777994.db2.gz DYLUXMWXVZDBNV-UHFFFAOYSA-N 1 2 354.458 3.524 20 30 FHEDLO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1c(F)cccc1Cl ZINC000176806438 941078340 /nfs/dbraw/zinc/07/83/40/941078340.db2.gz YSBRMXVGTKWPOK-HZMBPMFUSA-N 1 2 363.845 3.868 20 30 FHEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000189022634 941141577 /nfs/dbraw/zinc/14/15/77/941141577.db2.gz VFMQEPJUGVQJQO-OAHLLOKOSA-N 1 2 373.416 3.561 20 30 FHEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccn1 ZINC000376610942 941352648 /nfs/dbraw/zinc/35/26/48/941352648.db2.gz ORVIIXBGULTITH-QFIPXVFZSA-N 1 2 359.429 3.850 20 30 FHEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000472655238 941502565 /nfs/dbraw/zinc/50/25/65/941502565.db2.gz JFGCMVLWFXXWLC-KRWDZBQOSA-N 1 2 373.460 3.743 20 30 FHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565050014 941563207 /nfs/dbraw/zinc/56/32/07/941563207.db2.gz VVUKOCYIYGJNIC-SFHVURJKSA-N 1 2 359.813 3.939 20 30 FHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565050014 941563211 /nfs/dbraw/zinc/56/32/11/941563211.db2.gz VVUKOCYIYGJNIC-SFHVURJKSA-N 1 2 359.813 3.939 20 30 FHEDLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541133242 941672413 /nfs/dbraw/zinc/67/24/13/941672413.db2.gz WGJYZVPXHDCZBK-IIBYNOLFSA-N 1 2 370.456 3.862 20 30 FHEDLO C#CC[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000783014993 941718713 /nfs/dbraw/zinc/71/87/13/941718713.db2.gz BWICLJXWHFKJGC-NRFANRHFSA-N 1 2 364.493 3.850 20 30 FHEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000728711917 941982308 /nfs/dbraw/zinc/98/23/08/941982308.db2.gz QKPVTBZERDXNRT-FOIQADDNSA-N 1 2 364.424 3.729 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000664252409 942090141 /nfs/dbraw/zinc/09/01/41/942090141.db2.gz NUNLHTQBYWXECE-CEXWTWQISA-N 1 2 350.466 3.597 20 30 FHEDLO COc1cccc(C=C2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000472926017 942130578 /nfs/dbraw/zinc/13/05/78/942130578.db2.gz JMLSBJBIUOFHII-JTSKRJEESA-N 1 2 369.509 3.617 20 30 FHEDLO C=CC[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000187848012 942229964 /nfs/dbraw/zinc/22/99/64/942229964.db2.gz ONGHPLGNKKJSTA-OAQYLSRUSA-N 1 2 350.462 3.817 20 30 FHEDLO C=CC[N@@H+](Cc1c(C)nn(CC(=O)OC(C)C)c1C)Cc1ccccc1F ZINC000511535980 942231303 /nfs/dbraw/zinc/23/13/03/942231303.db2.gz HCHPKNIZQSTOHH-UHFFFAOYSA-N 1 2 373.472 3.779 20 30 FHEDLO C=CC[N@H+](Cc1c(C)nn(CC(=O)OC(C)C)c1C)Cc1ccccc1F ZINC000511535980 942231309 /nfs/dbraw/zinc/23/13/09/942231309.db2.gz HCHPKNIZQSTOHH-UHFFFAOYSA-N 1 2 373.472 3.779 20 30 FHEDLO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128431453 942302593 /nfs/dbraw/zinc/30/25/93/942302593.db2.gz GHYCHEQSTUPSKM-OAHLLOKOSA-N 1 2 368.458 3.771 20 30 FHEDLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128431453 942302600 /nfs/dbraw/zinc/30/26/00/942302600.db2.gz GHYCHEQSTUPSKM-OAHLLOKOSA-N 1 2 368.458 3.771 20 30 FHEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2cccnc2)no1 ZINC000421343231 942497309 /nfs/dbraw/zinc/49/73/09/942497309.db2.gz PTORALXTAKUJMY-QGZVFWFLSA-N 1 2 351.385 3.629 20 30 FHEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)sc1C ZINC000502541884 942519695 /nfs/dbraw/zinc/51/96/95/942519695.db2.gz VASWRJQTROBCIE-AWEZNQCLSA-N 1 2 366.490 3.748 20 30 FHEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)sc1C ZINC000502541884 942519699 /nfs/dbraw/zinc/51/96/99/942519699.db2.gz VASWRJQTROBCIE-AWEZNQCLSA-N 1 2 366.490 3.748 20 30 FHEDLO CC(C)[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2ccccc2)no1 ZINC000367040832 942742153 /nfs/dbraw/zinc/74/21/53/942742153.db2.gz NVGKDTDIWODYIE-IBGZPJMESA-N 1 2 372.432 3.743 20 30 FHEDLO CO[C@@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(Cl)cc1 ZINC000514107866 942750195 /nfs/dbraw/zinc/75/01/95/942750195.db2.gz RFMLXWREFDBDQU-PMACEKPBSA-N 1 2 356.853 3.973 20 30 FHEDLO CO[C@@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(Cl)cc1 ZINC000514107866 942750199 /nfs/dbraw/zinc/75/01/99/942750199.db2.gz RFMLXWREFDBDQU-PMACEKPBSA-N 1 2 356.853 3.973 20 30 FHEDLO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000183921068 943101046 /nfs/dbraw/zinc/10/10/46/943101046.db2.gz FOMGKFBDNCSTKF-NSHDSACASA-N 1 2 374.535 3.725 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C)(C#N)CC3)n2)C1 ZINC000272523443 943171246 /nfs/dbraw/zinc/17/12/46/943171246.db2.gz JBHQTVWCCIEUNR-CQSZACIVSA-N 1 2 361.515 3.533 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C)(C#N)CC3)n2)C1 ZINC000272523443 943171250 /nfs/dbraw/zinc/17/12/50/943171250.db2.gz JBHQTVWCCIEUNR-CQSZACIVSA-N 1 2 361.515 3.533 20 30 FHEDLO C=CC[C@@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503465985 943202250 /nfs/dbraw/zinc/20/22/50/943202250.db2.gz MAVRXTSBCPZKEX-CJNGLKHVSA-N 1 2 351.288 3.667 20 30 FHEDLO CSc1cc2c(cc1C[N@H+]1C[C@@H](c3ccccc3)[C@H](C#N)C1)OCCO2 ZINC000430129876 943207495 /nfs/dbraw/zinc/20/74/95/943207495.db2.gz SKCJELNVMBPERZ-MSOLQXFVSA-N 1 2 366.486 3.919 20 30 FHEDLO CSc1cc2c(cc1C[N@@H+]1C[C@@H](c3ccccc3)[C@H](C#N)C1)OCCO2 ZINC000430129876 943207501 /nfs/dbraw/zinc/20/75/01/943207501.db2.gz SKCJELNVMBPERZ-MSOLQXFVSA-N 1 2 366.486 3.919 20 30 FHEDLO N#Cc1ccccc1OCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000503537713 943236186 /nfs/dbraw/zinc/23/61/86/943236186.db2.gz RZISXSXSNDZKTB-UHFFFAOYSA-N 1 2 357.251 3.758 20 30 FHEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000503537713 943236192 /nfs/dbraw/zinc/23/61/92/943236192.db2.gz RZISXSXSNDZKTB-UHFFFAOYSA-N 1 2 357.251 3.758 20 30 FHEDLO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000584667392 943352195 /nfs/dbraw/zinc/35/21/95/943352195.db2.gz DKKHFIKVDNJUEN-UHFFFAOYSA-N 1 2 374.492 3.551 20 30 FHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075297995 943426341 /nfs/dbraw/zinc/42/63/41/943426341.db2.gz YBGHMURRGMMQDY-LEWJYISDSA-N 1 2 356.429 3.784 20 30 FHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000183965908 943603575 /nfs/dbraw/zinc/60/35/75/943603575.db2.gz BTQIJVYNEVLFLD-CYBMUJFWSA-N 1 2 358.442 3.670 20 30 FHEDLO N#CCCC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000431949541 943638239 /nfs/dbraw/zinc/63/82/39/943638239.db2.gz CMCBDVUWSMCSCP-GOSISDBHSA-N 1 2 351.454 3.618 20 30 FHEDLO CC(C)n1c[nH+]cc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000424188786 943778343 /nfs/dbraw/zinc/77/83/43/943778343.db2.gz JXQXLKLDVFYXOI-UHFFFAOYSA-N 1 2 351.454 3.659 20 30 FHEDLO C=CCOC(=O)[C@@H](Nc1c(Br)ccc2[nH+]ccn21)[C@@H](C)CC ZINC001167962142 943933089 /nfs/dbraw/zinc/93/30/89/943933089.db2.gz OBJUTFIHEKJICK-FZMZJTMJSA-N 1 2 366.259 3.653 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000515491242 943936898 /nfs/dbraw/zinc/93/68/98/943936898.db2.gz ZLNWUJUZZSDYQJ-XWIAVFTESA-N 1 2 373.884 3.572 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000515491242 943936901 /nfs/dbraw/zinc/93/69/01/943936901.db2.gz ZLNWUJUZZSDYQJ-XWIAVFTESA-N 1 2 373.884 3.572 20 30 FHEDLO CCc1cccc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000517134948 944034709 /nfs/dbraw/zinc/03/47/09/944034709.db2.gz HCJLBSZVJOCRQX-UHFFFAOYSA-N 1 2 363.461 3.603 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)cc1 ZINC000505154665 944082670 /nfs/dbraw/zinc/08/26/70/944082670.db2.gz KJGKCXUHJDQXGR-YPAWHYETSA-N 1 2 365.521 3.809 20 30 FHEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000550127747 944243948 /nfs/dbraw/zinc/24/39/48/944243948.db2.gz JRNYOVZVTDEPIB-INIZCTEOSA-N 1 2 353.491 3.656 20 30 FHEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000550127747 944243956 /nfs/dbraw/zinc/24/39/56/944243956.db2.gz JRNYOVZVTDEPIB-INIZCTEOSA-N 1 2 353.491 3.656 20 30 FHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)ccc2C#N)CC1 ZINC000500297025 944442992 /nfs/dbraw/zinc/44/29/92/944442992.db2.gz QMHMWMNREVPGGE-LJQANCHMSA-N 1 2 356.420 3.813 20 30 FHEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000439451095 944635766 /nfs/dbraw/zinc/63/57/66/944635766.db2.gz KWYLFTHLZYZPBK-SFHVURJKSA-N 1 2 354.837 3.874 20 30 FHEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000439451095 944635769 /nfs/dbraw/zinc/63/57/69/944635769.db2.gz KWYLFTHLZYZPBK-SFHVURJKSA-N 1 2 354.837 3.874 20 30 FHEDLO C=CC[N@@H+](Cc1nc(CCC)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000426417564 944731339 /nfs/dbraw/zinc/73/13/39/944731339.db2.gz BHNABICWXVCFEC-OAHLLOKOSA-N 1 2 368.510 3.821 20 30 FHEDLO C=CC[N@H+](Cc1nc(CCC)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000426417564 944731344 /nfs/dbraw/zinc/73/13/44/944731344.db2.gz BHNABICWXVCFEC-OAHLLOKOSA-N 1 2 368.510 3.821 20 30 FHEDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000506295080 944847148 /nfs/dbraw/zinc/84/71/48/944847148.db2.gz OBQYHOVGKZTTHI-OAQYLSRUSA-N 1 2 364.445 3.665 20 30 FHEDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000506295080 944847152 /nfs/dbraw/zinc/84/71/52/944847152.db2.gz OBQYHOVGKZTTHI-OAQYLSRUSA-N 1 2 364.445 3.665 20 30 FHEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nccn3CC)C[C@H]21 ZINC001270164016 944953777 /nfs/dbraw/zinc/95/37/77/944953777.db2.gz MURLAEUOYDHLKG-RBUKOAKNSA-N 1 2 360.546 3.686 20 30 FHEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3CC)C[C@H]21 ZINC001270164016 944953779 /nfs/dbraw/zinc/95/37/79/944953779.db2.gz MURLAEUOYDHLKG-RBUKOAKNSA-N 1 2 360.546 3.686 20 30 FHEDLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCOC2(CCCC2)C1 ZINC000330131555 945369827 /nfs/dbraw/zinc/36/98/27/945369827.db2.gz PUAVXLSSKDDKGW-MRXNPFEDSA-N 1 2 355.482 3.700 20 30 FHEDLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCOC2(CCCC2)C1 ZINC000330131555 945369836 /nfs/dbraw/zinc/36/98/36/945369836.db2.gz PUAVXLSSKDDKGW-MRXNPFEDSA-N 1 2 355.482 3.700 20 30 FHEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1cccc2ccccc21 ZINC000330158345 945381148 /nfs/dbraw/zinc/38/11/48/945381148.db2.gz PZOCENCYFGBBBT-YVHKJVDXSA-N 1 2 368.477 3.737 20 30 FHEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1cccc2ccccc21 ZINC000330158345 945381158 /nfs/dbraw/zinc/38/11/58/945381158.db2.gz PZOCENCYFGBBBT-YVHKJVDXSA-N 1 2 368.477 3.737 20 30 FHEDLO Cc1cc(C)c(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000330243565 945420781 /nfs/dbraw/zinc/42/07/81/945420781.db2.gz JWFJKGFISIUIOP-LBPRGKRZSA-N 1 2 363.259 3.603 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330265943 945433761 /nfs/dbraw/zinc/43/37/61/945433761.db2.gz ZYERPNVSFTUXKH-UKRRQHHQSA-N 1 2 373.522 3.833 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330265943 945433763 /nfs/dbraw/zinc/43/37/63/945433763.db2.gz ZYERPNVSFTUXKH-UKRRQHHQSA-N 1 2 373.522 3.833 20 30 FHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000330281310 945444303 /nfs/dbraw/zinc/44/43/03/945444303.db2.gz UKWSBIKETOFQQX-IYWMVGAKSA-N 1 2 364.493 3.770 20 30 FHEDLO Cc1oc2ccccc2c1CC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330331835 945599364 /nfs/dbraw/zinc/59/93/64/945599364.db2.gz OJVIVFHCEBWSFB-KUHUBIRLSA-N 1 2 353.422 3.894 20 30 FHEDLO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000550062723 945650015 /nfs/dbraw/zinc/65/00/15/945650015.db2.gz UOSAXXKTKJIMML-KRWDZBQOSA-N 1 2 351.288 3.551 20 30 FHEDLO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000550062723 945650020 /nfs/dbraw/zinc/65/00/20/945650020.db2.gz UOSAXXKTKJIMML-KRWDZBQOSA-N 1 2 351.288 3.551 20 30 FHEDLO Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)NC3CCCCCC3)C1)CCCC2 ZINC000330354708 945659156 /nfs/dbraw/zinc/65/91/56/945659156.db2.gz PSSRJCIUBYOKIY-GOSISDBHSA-N 1 2 358.530 3.996 20 30 FHEDLO Cc1nc2c(n1[C@@H]1CC[N@H+](CC(=O)NC3CCCCCC3)C1)CCCC2 ZINC000330354708 945659161 /nfs/dbraw/zinc/65/91/61/945659161.db2.gz PSSRJCIUBYOKIY-GOSISDBHSA-N 1 2 358.530 3.996 20 30 FHEDLO Cc1cc(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661151023 945783728 /nfs/dbraw/zinc/78/37/28/945783728.db2.gz XCAXJBJOCDYYRK-MSOLQXFVSA-N 1 2 353.466 3.943 20 30 FHEDLO Cc1cc(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661151023 945783733 /nfs/dbraw/zinc/78/37/33/945783733.db2.gz XCAXJBJOCDYYRK-MSOLQXFVSA-N 1 2 353.466 3.943 20 30 FHEDLO N#Cc1cc2c(nc1N[C@H]1CCC[N@@H+](Cc3c(F)cccc3F)C1)CCC2 ZINC000609513035 945885694 /nfs/dbraw/zinc/88/56/94/945885694.db2.gz ISPKJMRMEXNKPK-INIZCTEOSA-N 1 2 368.431 3.797 20 30 FHEDLO N#Cc1cc2c(nc1N[C@H]1CCC[N@H+](Cc3c(F)cccc3F)C1)CCC2 ZINC000609513035 945885709 /nfs/dbraw/zinc/88/57/09/945885709.db2.gz ISPKJMRMEXNKPK-INIZCTEOSA-N 1 2 368.431 3.797 20 30 FHEDLO C=CC[N@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C)COC ZINC000661242351 945896105 /nfs/dbraw/zinc/89/61/05/945896105.db2.gz AASHSNVSWNMASV-AWEZNQCLSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C)COC ZINC000661242351 945896109 /nfs/dbraw/zinc/89/61/09/945896109.db2.gz AASHSNVSWNMASV-AWEZNQCLSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)[C@@H](C)COC ZINC000661243706 945897057 /nfs/dbraw/zinc/89/70/57/945897057.db2.gz LYIQICVPMIAHAD-AWEZNQCLSA-N 1 2 359.495 3.580 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)[C@@H](C)COC ZINC000661243706 945897065 /nfs/dbraw/zinc/89/70/65/945897065.db2.gz LYIQICVPMIAHAD-AWEZNQCLSA-N 1 2 359.495 3.580 20 30 FHEDLO Cc1cc(C)c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(C)[nH+]1 ZINC000519963826 945951676 /nfs/dbraw/zinc/95/16/76/945951676.db2.gz QCXFJOMAUFZFGX-UHFFFAOYSA-N 1 2 354.479 3.930 20 30 FHEDLO CC[C@@H](C#N)Oc1cc(CNc2nc(N)c3ccccc3[nH+]2)ccc1OC ZINC000301910682 946033636 /nfs/dbraw/zinc/03/36/36/946033636.db2.gz SDLJSIZLEUKMET-AWEZNQCLSA-N 1 2 363.421 3.514 20 30 FHEDLO N#Cc1ccc(Nc2cccc(C(=O)NCCCNc3cccc[nH+]3)c2)cc1 ZINC000609991382 946809312 /nfs/dbraw/zinc/80/93/12/946809312.db2.gz GOHOAZLPNJZQOB-UHFFFAOYSA-N 1 2 371.444 3.929 20 30 FHEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CC[C@H](Cc3ccc(F)cc3)C1)CCC2 ZINC000328658692 946967954 /nfs/dbraw/zinc/96/79/54/946967954.db2.gz RMWNNZYRHVZMQH-MSOLQXFVSA-N 1 2 370.472 3.687 20 30 FHEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@H]1Cc1cccc(F)c1)CCC2 ZINC000328657996 946968045 /nfs/dbraw/zinc/96/80/45/946968045.db2.gz QEYQUEGKEJANCC-HKUYNNGSSA-N 1 2 370.472 3.829 20 30 FHEDLO Cc1ccccc1[C@@H]1C[C@H](C)N(C([O-])=[NH+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328602807 946978974 /nfs/dbraw/zinc/97/89/74/946978974.db2.gz HEWHUDAJAHTSCM-RCCFBDPRSA-N 1 2 352.482 3.861 20 30 FHEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N[C@H](c3ccc(C)cc3)C3CC3)[C@@H]2C1 ZINC000328726272 947022722 /nfs/dbraw/zinc/02/27/22/947022722.db2.gz BVOFKGTVKXDKNI-XWSHUIEDSA-N 1 2 372.509 3.671 20 30 FHEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N[C@H](c3ccc(C)cc3)C3CC3)[C@@H]2C1 ZINC000328726272 947022737 /nfs/dbraw/zinc/02/27/37/947022737.db2.gz BVOFKGTVKXDKNI-XWSHUIEDSA-N 1 2 372.509 3.671 20 30 FHEDLO Cn1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c(C2CCCCC2)n1 ZINC000328781710 947044461 /nfs/dbraw/zinc/04/44/61/947044461.db2.gz UXHQRWXBEVVWIQ-UHFFFAOYSA-N 1 2 355.486 3.548 20 30 FHEDLO CCCC[C@H](CC)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026179060 947059262 /nfs/dbraw/zinc/05/92/62/947059262.db2.gz DJOCQAQLNYQKBE-SFHVURJKSA-N 1 2 356.514 3.602 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000328875298 947078804 /nfs/dbraw/zinc/07/88/04/947078804.db2.gz RYNNHGOLHNEERE-SJLPKXTDSA-N 1 2 352.482 3.837 20 30 FHEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(c3ccon3)CC2)c2ccccc21 ZINC000662043608 947127034 /nfs/dbraw/zinc/12/70/34/947127034.db2.gz MEPUXZGNLFWYPF-UHFFFAOYSA-N 1 2 362.433 3.605 20 30 FHEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CCC2CCCC2)CCC(=O)N1C1CC1 ZINC000328996777 947138559 /nfs/dbraw/zinc/13/85/59/947138559.db2.gz FQWVIDVVEAYTHQ-OXQOHEQNSA-N 1 2 358.486 3.542 20 30 FHEDLO O[C@@H](C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000093766457 947153601 /nfs/dbraw/zinc/15/36/01/947153601.db2.gz YHEZKWCCLVWCAA-ZDUSSCGKSA-N 1 2 359.285 3.980 20 30 FHEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CC=C(C(F)(F)F)CC2)c(C)c1 ZINC000330478102 947181435 /nfs/dbraw/zinc/18/14/35/947181435.db2.gz XFLRAHZLITVQNU-CYBMUJFWSA-N 1 2 369.387 3.548 20 30 FHEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CC=C(C(F)(F)F)CC2)c(C)c1 ZINC000330478102 947181439 /nfs/dbraw/zinc/18/14/39/947181439.db2.gz XFLRAHZLITVQNU-CYBMUJFWSA-N 1 2 369.387 3.548 20 30 FHEDLO C[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000330783933 947284786 /nfs/dbraw/zinc/28/47/86/947284786.db2.gz RDRHKQBXOGDVOU-GFCCVEGCSA-N 1 2 354.281 3.796 20 30 FHEDLO N#Cc1cc(C[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)ccc1F ZINC000121508734 947302160 /nfs/dbraw/zinc/30/21/60/947302160.db2.gz RSYVGROJWWSZQR-UHFFFAOYSA-N 1 2 352.335 3.819 20 30 FHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC001143524789 947851539 /nfs/dbraw/zinc/85/15/39/947851539.db2.gz LEQXZGKOWLILQF-HNNXBMFYSA-N 1 2 372.387 3.591 20 30 FHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC001143524789 947851546 /nfs/dbraw/zinc/85/15/46/947851546.db2.gz LEQXZGKOWLILQF-HNNXBMFYSA-N 1 2 372.387 3.591 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCc2ccc(C#N)cc2)c(C)c1 ZINC000441484499 947930660 /nfs/dbraw/zinc/93/06/60/947930660.db2.gz AVEFLMLQAARXED-JOCHJYFZSA-N 1 2 372.472 3.862 20 30 FHEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cc(C)[nH+]c2c1CCCC2 ZINC000893612154 948058438 /nfs/dbraw/zinc/05/84/38/948058438.db2.gz NYCRLBBFZTWMGG-UHFFFAOYSA-N 1 2 358.449 3.642 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000512181792 948703286 /nfs/dbraw/zinc/70/32/86/948703286.db2.gz QHKUNDNLDNDFPJ-MRXNPFEDSA-N 1 2 372.465 3.576 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000512181792 948703290 /nfs/dbraw/zinc/70/32/90/948703290.db2.gz QHKUNDNLDNDFPJ-MRXNPFEDSA-N 1 2 372.465 3.576 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000512187032 948728324 /nfs/dbraw/zinc/72/83/24/948728324.db2.gz ONVGQZQOIIEXRW-OAHLLOKOSA-N 1 2 360.429 3.625 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000512187032 948728328 /nfs/dbraw/zinc/72/83/28/948728328.db2.gz ONVGQZQOIIEXRW-OAHLLOKOSA-N 1 2 360.429 3.625 20 30 FHEDLO CC(C)C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000602099089 567926461 /nfs/dbraw/zinc/92/64/61/567926461.db2.gz XDAWWOOOHKSXSE-HZPDHXFCSA-N 1 2 364.371 3.870 20 30 FHEDLO Cc1cc([NH2+][C@@H](C)CC2(C#N)CCOCC2)ccc1-n1nnnc1C(C)C ZINC000602608985 567997385 /nfs/dbraw/zinc/99/73/85/567997385.db2.gz OKIPPWALOCNLDF-INIZCTEOSA-N 1 2 368.485 3.605 20 30 FHEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000602868951 568008851 /nfs/dbraw/zinc/00/88/51/568008851.db2.gz LCTGOVWKWSFFNH-GJZGRUSLSA-N 1 2 354.479 3.593 20 30 FHEDLO COc1cc(C[NH2+][C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)ccc1C#N ZINC000568333691 568025406 /nfs/dbraw/zinc/02/54/06/568025406.db2.gz KOBBUALHXMEHGC-HNNXBMFYSA-N 1 2 361.449 3.615 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000603472375 568103290 /nfs/dbraw/zinc/10/32/90/568103290.db2.gz GTZUMNKUWIJHFO-UHFFFAOYSA-N 1 2 371.431 3.960 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000603472375 568103291 /nfs/dbraw/zinc/10/32/91/568103291.db2.gz GTZUMNKUWIJHFO-UHFFFAOYSA-N 1 2 371.431 3.960 20 30 FHEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000569000549 568266118 /nfs/dbraw/zinc/26/61/18/568266118.db2.gz LHGXYRCTIQAVJE-WFASDCNBSA-N 1 2 364.371 3.547 20 30 FHEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303505704 568282989 /nfs/dbraw/zinc/28/29/89/568282989.db2.gz NTJIKASOWRCFIN-PBHICJAKSA-N 1 2 368.880 3.541 20 30 FHEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303505704 568282991 /nfs/dbraw/zinc/28/29/91/568282991.db2.gz NTJIKASOWRCFIN-PBHICJAKSA-N 1 2 368.880 3.541 20 30 FHEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303505712 568283026 /nfs/dbraw/zinc/28/30/26/568283026.db2.gz NTJIKASOWRCFIN-YOEHRIQHSA-N 1 2 368.880 3.541 20 30 FHEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303505712 568283028 /nfs/dbraw/zinc/28/30/28/568283028.db2.gz NTJIKASOWRCFIN-YOEHRIQHSA-N 1 2 368.880 3.541 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000031053075 568322324 /nfs/dbraw/zinc/32/23/24/568322324.db2.gz POQQPAJLRGCWGF-SJCJKPOMSA-N 1 2 356.297 3.868 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000031053075 568322325 /nfs/dbraw/zinc/32/23/25/568322325.db2.gz POQQPAJLRGCWGF-SJCJKPOMSA-N 1 2 356.297 3.868 20 30 FHEDLO COc1ccc([C@@H](NC(=O)C[N@H+](CCC#N)CC(C)(C)C)C(C)C)cc1 ZINC000609487587 568345389 /nfs/dbraw/zinc/34/53/89/568345389.db2.gz HFVOQAYUUVCCAN-FQEVSTJZSA-N 1 2 359.514 3.770 20 30 FHEDLO COc1ccc([C@@H](NC(=O)C[N@@H+](CCC#N)CC(C)(C)C)C(C)C)cc1 ZINC000609487587 568345390 /nfs/dbraw/zinc/34/53/90/568345390.db2.gz HFVOQAYUUVCCAN-FQEVSTJZSA-N 1 2 359.514 3.770 20 30 FHEDLO C=CCNC(=O)[C@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000007098581 568447996 /nfs/dbraw/zinc/44/79/96/568447996.db2.gz LQJJYPAIVMQOJG-ZDUSSCGKSA-N 1 2 362.458 3.819 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(CC#N)c3)n2)C1 ZINC000049623915 568523234 /nfs/dbraw/zinc/52/32/34/568523234.db2.gz PXPXZOKLZWEPNZ-CQSZACIVSA-N 1 2 354.479 3.693 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(CC#N)c3)n2)C1 ZINC000049623915 568523236 /nfs/dbraw/zinc/52/32/36/568523236.db2.gz PXPXZOKLZWEPNZ-CQSZACIVSA-N 1 2 354.479 3.693 20 30 FHEDLO C=C(C)C[N@@H+](CC)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000050049704 568669930 /nfs/dbraw/zinc/66/99/30/568669930.db2.gz ONCZNGGDWYYWEY-UHFFFAOYSA-N 1 2 359.783 3.733 20 30 FHEDLO C=C(C)C[N@H+](CC)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000050049704 568669933 /nfs/dbraw/zinc/66/99/33/568669933.db2.gz ONCZNGGDWYYWEY-UHFFFAOYSA-N 1 2 359.783 3.733 20 30 FHEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC1 ZINC001165031756 721865385 /nfs/dbraw/zinc/86/53/85/721865385.db2.gz UKYXTPRWAKNEBQ-UHFFFAOYSA-N 1 2 364.827 3.650 20 30 FHEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000557578505 927079822 /nfs/dbraw/zinc/07/98/22/927079822.db2.gz JAHGELCQOXTXJW-CQSZACIVSA-N 1 2 371.282 3.599 20 30 FHEDLO C[C@H](CC1CCCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000510081330 927898245 /nfs/dbraw/zinc/89/82/45/927898245.db2.gz KGKXKWOABSROOQ-GOSISDBHSA-N 1 2 353.510 3.809 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000728197036 928053835 /nfs/dbraw/zinc/05/38/35/928053835.db2.gz XYNZFBQGNULVOJ-FQEVSTJZSA-N 1 2 364.489 3.965 20 30 FHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000728197036 928053854 /nfs/dbraw/zinc/05/38/54/928053854.db2.gz XYNZFBQGNULVOJ-FQEVSTJZSA-N 1 2 364.489 3.965 20 30 FHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117593787 928424609 /nfs/dbraw/zinc/42/46/09/928424609.db2.gz NPBUDKSGQCAUCU-UHFFFAOYSA-N 1 2 369.346 3.673 20 30 FHEDLO O=C1/C(=C\c2cccc3nccn32)CSC/C1=C\c1cccc2[nH+]ccn21 ZINC000255123569 929663162 /nfs/dbraw/zinc/66/31/62/929663162.db2.gz LOAXRUKDPHZWCE-UKVBVZPVSA-N 1 2 372.453 3.765 20 30 FHEDLO O=C1/C(=C\c2cccc3[nH+]ccn32)CSC/C1=C\c1cccc2nccn21 ZINC000255123569 929663165 /nfs/dbraw/zinc/66/31/65/929663165.db2.gz LOAXRUKDPHZWCE-UKVBVZPVSA-N 1 2 372.453 3.765 20 30 FHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796681999 937354238 /nfs/dbraw/zinc/35/42/38/937354238.db2.gz GBONVCYTBMEYFH-LJQANCHMSA-N 1 2 359.445 3.721 20 30 FHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796681999 937354242 /nfs/dbraw/zinc/35/42/42/937354242.db2.gz GBONVCYTBMEYFH-LJQANCHMSA-N 1 2 359.445 3.721 20 30 FHEDLO Cc1cc(C#N)cc(Nc2cc(I)c3[nH+]ccn3c2)c1 ZINC001210388928 929736341 /nfs/dbraw/zinc/73/63/41/929736341.db2.gz VHRCOGGMLULFLV-UHFFFAOYSA-N 1 2 374.185 3.863 20 30 FHEDLO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000187309384 929762633 /nfs/dbraw/zinc/76/26/33/929762633.db2.gz QGRRHSPTZXABJG-QHCPKHFHSA-N 1 2 373.456 3.687 20 30 FHEDLO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000187309384 929762635 /nfs/dbraw/zinc/76/26/35/929762635.db2.gz QGRRHSPTZXABJG-QHCPKHFHSA-N 1 2 373.456 3.687 20 30 FHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000560450154 929834941 /nfs/dbraw/zinc/83/49/41/929834941.db2.gz DQTHXIJVMGOWGL-UHFFFAOYSA-N 1 2 366.446 3.713 20 30 FHEDLO C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(C#N)c1 ZINC000610317814 929879836 /nfs/dbraw/zinc/87/98/36/929879836.db2.gz DZYIKPGHLKSBOR-CQSZACIVSA-N 1 2 369.494 3.883 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246401007 930048132 /nfs/dbraw/zinc/04/81/32/930048132.db2.gz HUPNNUSGBROBKI-DLBZAZTESA-N 1 2 363.864 3.815 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246401007 930048139 /nfs/dbraw/zinc/04/81/39/930048139.db2.gz HUPNNUSGBROBKI-DLBZAZTESA-N 1 2 363.864 3.815 20 30 FHEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC001125422541 930268678 /nfs/dbraw/zinc/26/86/78/930268678.db2.gz PPMAHRNRKNEANB-GOSISDBHSA-N 1 2 357.841 3.852 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OC)c1OC(F)F ZINC000580378610 930594713 /nfs/dbraw/zinc/59/47/13/930594713.db2.gz UIOBAKSZQCHVAM-UHFFFAOYSA-N 1 2 367.392 3.960 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OC)c1OC(F)F ZINC000580378610 930594717 /nfs/dbraw/zinc/59/47/17/930594717.db2.gz UIOBAKSZQCHVAM-UHFFFAOYSA-N 1 2 367.392 3.960 20 30 FHEDLO C=CC[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cccs1 ZINC000050274369 930775630 /nfs/dbraw/zinc/77/56/30/930775630.db2.gz MHSZIERCYVMSFS-UHFFFAOYSA-N 1 2 372.412 3.920 20 30 FHEDLO C=CC[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cccs1 ZINC000050274369 930775638 /nfs/dbraw/zinc/77/56/38/930775638.db2.gz MHSZIERCYVMSFS-UHFFFAOYSA-N 1 2 372.412 3.920 20 30 FHEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000510342286 931091969 /nfs/dbraw/zinc/09/19/69/931091969.db2.gz NJHWJIGFFWCUHY-AWEZNQCLSA-N 1 2 373.909 3.872 20 30 FHEDLO C[C@@H]1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000247305344 931147796 /nfs/dbraw/zinc/14/77/96/931147796.db2.gz FOFSLXLPNRCOOP-SJKOYZFVSA-N 1 2 353.376 3.669 20 30 FHEDLO Cc1csc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000156699738 931378169 /nfs/dbraw/zinc/37/81/69/931378169.db2.gz ZGLOYKSQKIAXJU-CQSZACIVSA-N 1 2 354.479 3.530 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCS1 ZINC000072862787 932177675 /nfs/dbraw/zinc/17/76/75/932177675.db2.gz SQOKETBEWIUAGP-LSDHHAIUSA-N 1 2 363.552 3.847 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCS1 ZINC000072862787 932177681 /nfs/dbraw/zinc/17/76/81/932177681.db2.gz SQOKETBEWIUAGP-LSDHHAIUSA-N 1 2 363.552 3.847 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000187567362 933004727 /nfs/dbraw/zinc/00/47/27/933004727.db2.gz JLBFXUGPJZADKX-UHFFFAOYSA-N 1 2 358.844 3.920 20 30 FHEDLO C=CCCC1(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCCC1 ZINC000657064871 933044511 /nfs/dbraw/zinc/04/45/11/933044511.db2.gz UQCQCHZPFQMYOM-UHFFFAOYSA-N 1 2 373.522 3.736 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000510497108 933065265 /nfs/dbraw/zinc/06/52/65/933065265.db2.gz TXEJOKMFGMKSLO-HZPDHXFCSA-N 1 2 363.461 3.728 20 30 FHEDLO N#Cc1cccc(OCCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000178297628 933070655 /nfs/dbraw/zinc/07/06/55/933070655.db2.gz UEOJKFGTPXFFDQ-BJMVGYQFSA-N 1 2 361.489 3.658 20 30 FHEDLO Cc1sc(NC(=O)C[N@@H+]2CCSC3(CCCCC3)C2)c(C#N)c1C ZINC000430758466 933212016 /nfs/dbraw/zinc/21/20/16/933212016.db2.gz AQAAVHUICFTZPC-UHFFFAOYSA-N 1 2 363.552 3.927 20 30 FHEDLO Cc1sc(NC(=O)C[N@H+]2CCSC3(CCCCC3)C2)c(C#N)c1C ZINC000430758466 933212023 /nfs/dbraw/zinc/21/20/23/933212023.db2.gz AQAAVHUICFTZPC-UHFFFAOYSA-N 1 2 363.552 3.927 20 30 FHEDLO C[C@H](c1cccc(Br)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000178325903 933220164 /nfs/dbraw/zinc/22/01/64/933220164.db2.gz SJNLJOJRURSWRM-CQSZACIVSA-N 1 2 371.282 3.599 20 30 FHEDLO CC(C)[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000510561200 933226081 /nfs/dbraw/zinc/22/60/81/933226081.db2.gz VIQGMBBJWXBYLU-LEWJYISDSA-N 1 2 368.525 3.600 20 30 FHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000610584812 933428798 /nfs/dbraw/zinc/42/87/98/933428798.db2.gz CYWMCQSQDXAUJD-SFHVURJKSA-N 1 2 363.396 3.536 20 30 FHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933837023 933671833 /nfs/dbraw/zinc/67/18/33/933671833.db2.gz PJBXPRKJMBEADC-SFHVURJKSA-N 1 2 351.454 3.869 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091895673 933701131 /nfs/dbraw/zinc/70/11/31/933701131.db2.gz YEMYEPJZXBSMKR-MRXNPFEDSA-N 1 2 351.425 3.519 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091895673 933701138 /nfs/dbraw/zinc/70/11/38/933701138.db2.gz YEMYEPJZXBSMKR-MRXNPFEDSA-N 1 2 351.425 3.519 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(-c2ccc(C)cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092361515 934022721 /nfs/dbraw/zinc/02/27/21/934022721.db2.gz JJUTYQQGWCWGCV-KRWDZBQOSA-N 1 2 361.532 3.899 20 30 FHEDLO C=CC[N@H+](Cc1ccc(-c2ccc(C)cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092361515 934022730 /nfs/dbraw/zinc/02/27/30/934022730.db2.gz JJUTYQQGWCWGCV-KRWDZBQOSA-N 1 2 361.532 3.899 20 30 FHEDLO CN(C(=O)C[NH+]1CCC(F)(C#N)CC1)C(c1ccccc1)c1ccccc1 ZINC000510955428 934224127 /nfs/dbraw/zinc/22/41/27/934224127.db2.gz XQLGLAHEVFUPSA-UHFFFAOYSA-N 1 2 365.452 3.562 20 30 FHEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610967035 934662730 /nfs/dbraw/zinc/66/27/30/934662730.db2.gz OTGCCZKXTCROET-TXEJJXNPSA-N 1 2 352.278 3.739 20 30 FHEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610967035 934662732 /nfs/dbraw/zinc/66/27/32/934662732.db2.gz OTGCCZKXTCROET-TXEJJXNPSA-N 1 2 352.278 3.739 20 30 FHEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176270228 934711559 /nfs/dbraw/zinc/71/15/59/934711559.db2.gz CJVSTWPGUCAFIN-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176270228 934711563 /nfs/dbraw/zinc/71/15/63/934711563.db2.gz CJVSTWPGUCAFIN-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000181670478 934797404 /nfs/dbraw/zinc/79/74/04/934797404.db2.gz AYISWEWYUPTSCY-IRXDYDNUSA-N 1 2 353.869 3.832 20 30 FHEDLO C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000181670478 934797408 /nfs/dbraw/zinc/79/74/08/934797408.db2.gz AYISWEWYUPTSCY-IRXDYDNUSA-N 1 2 353.869 3.832 20 30 FHEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(C(F)(F)F)cs1 ZINC000551584733 935313811 /nfs/dbraw/zinc/31/38/11/935313811.db2.gz NJCORLMRFAQTGB-SECBINFHSA-N 1 2 351.357 3.532 20 30 FHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000582189001 935387622 /nfs/dbraw/zinc/38/76/22/935387622.db2.gz COGSPCVYZZYUQC-ICSRJNTNSA-N 1 2 355.869 3.827 20 30 FHEDLO C=CC[N@@H+](Cc1cccc(-c2ccc(C)cc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000511107676 935592883 /nfs/dbraw/zinc/59/28/83/935592883.db2.gz OVBSGCNVWSKFSJ-OAQYLSRUSA-N 1 2 355.503 3.837 20 30 FHEDLO C=CC[N@H+](Cc1cccc(-c2ccc(C)cc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000511107676 935592886 /nfs/dbraw/zinc/59/28/86/935592886.db2.gz OVBSGCNVWSKFSJ-OAQYLSRUSA-N 1 2 355.503 3.837 20 30 FHEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000507295946 945113397 /nfs/dbraw/zinc/11/33/97/945113397.db2.gz KEYPMOHHNSVZSW-UHFFFAOYSA-N 1 2 356.267 3.643 20 30 FHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051756272 935838986 /nfs/dbraw/zinc/83/89/86/935838986.db2.gz AEBNHQIBGGUHCM-UHFFFAOYSA-N 1 2 369.465 3.613 20 30 FHEDLO Cc1ccc(C(=O)NC2CC[NH+](CC#Cc3ccccc3Cl)CC2)s1 ZINC000135177750 935921607 /nfs/dbraw/zinc/92/16/07/935921607.db2.gz ADGVNWKMCFDCPU-UHFFFAOYSA-N 1 2 372.921 3.956 20 30 FHEDLO O=C(NC1CCCCC1)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135175454 935921618 /nfs/dbraw/zinc/92/16/18/935921618.db2.gz KJRHSRKAQYDDDD-UHFFFAOYSA-N 1 2 373.928 3.788 20 30 FHEDLO CN1CCO[C@@H]([C@H]([NH2+]Cc2cc(C#N)ccc2F)c2ccc(Cl)cc2)C1 ZINC000121850817 935970111 /nfs/dbraw/zinc/97/01/11/935970111.db2.gz UPTGECJJCSGYKG-WOJBJXKFSA-N 1 2 373.859 3.512 20 30 FHEDLO C[N@@H+]1CCO[C@@H]([C@H](NCc2cc(C#N)ccc2F)c2ccc(Cl)cc2)C1 ZINC000121850817 935970112 /nfs/dbraw/zinc/97/01/12/935970112.db2.gz UPTGECJJCSGYKG-WOJBJXKFSA-N 1 2 373.859 3.512 20 30 FHEDLO C[N@H+]1CCO[C@@H]([C@H](NCc2cc(C#N)ccc2F)c2ccc(Cl)cc2)C1 ZINC000121850817 935970113 /nfs/dbraw/zinc/97/01/13/935970113.db2.gz UPTGECJJCSGYKG-WOJBJXKFSA-N 1 2 373.859 3.512 20 30 FHEDLO Fc1cccc(OC(F)(F)F)c1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000657550595 936009756 /nfs/dbraw/zinc/00/97/56/936009756.db2.gz SWNVMAIEKNJXTE-UHFFFAOYSA-N 1 2 369.240 3.823 20 30 FHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncc(C#N)cc1Cl ZINC000078674543 936237808 /nfs/dbraw/zinc/23/78/08/936237808.db2.gz WAMVJIXRWICUFE-UHFFFAOYSA-N 1 2 355.873 3.745 20 30 FHEDLO C=CC[C@H]1N(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCCC1(C)C ZINC000548778956 936276152 /nfs/dbraw/zinc/27/61/52/936276152.db2.gz HOKFZUKPTMLUOL-QGZVFWFLSA-N 1 2 353.470 3.925 20 30 FHEDLO C=CCC[C@@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000427171422 945155602 /nfs/dbraw/zinc/15/56/02/945155602.db2.gz QVNKKTNZCYLQDQ-JOCHJYFZSA-N 1 2 364.489 3.786 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCCOCC1 ZINC000329276002 938312205 /nfs/dbraw/zinc/31/22/05/938312205.db2.gz KYVVAHZFSUWTQL-HNNXBMFYSA-N 1 2 360.454 3.817 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCCOCC1 ZINC000329276002 938312208 /nfs/dbraw/zinc/31/22/08/938312208.db2.gz KYVVAHZFSUWTQL-HNNXBMFYSA-N 1 2 360.454 3.817 20 30 FHEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000329344787 938361055 /nfs/dbraw/zinc/36/10/55/938361055.db2.gz UJULPAUWPVTWER-UHFFFAOYSA-N 1 2 350.466 3.845 20 30 FHEDLO C=CCC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000426587987 938462434 /nfs/dbraw/zinc/46/24/34/938462434.db2.gz UXFLSSOSLDZPGB-QHCPKHFHSA-N 1 2 373.500 3.952 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000247369476 938464736 /nfs/dbraw/zinc/46/47/36/938464736.db2.gz RROQSEDNXIRLAZ-YHAMSUFESA-N 1 2 372.534 3.904 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000247369476 938464737 /nfs/dbraw/zinc/46/47/37/938464737.db2.gz RROQSEDNXIRLAZ-YHAMSUFESA-N 1 2 372.534 3.904 20 30 FHEDLO Cc1ccccc1C1(CNC(=O)N2CCn3c[nH+]cc3C2)CCCCC1 ZINC000329607550 938522942 /nfs/dbraw/zinc/52/29/42/938522942.db2.gz MVYMTVIYQLQZAC-UHFFFAOYSA-N 1 2 352.482 3.823 20 30 FHEDLO N#C[C@H]1CC[C@H](Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC000278568490 938542332 /nfs/dbraw/zinc/54/23/32/938542332.db2.gz NGGVOUXWEQOECC-ROUUACIJSA-N 1 2 367.522 3.707 20 30 FHEDLO N#CCCC[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000458798142 938598238 /nfs/dbraw/zinc/59/82/38/938598238.db2.gz HGEAVNQEOLNHPV-SFHVURJKSA-N 1 2 351.454 3.734 20 30 FHEDLO C=CC[N@@H+](C/C(C)=C\c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000584199276 938638622 /nfs/dbraw/zinc/63/86/22/938638622.db2.gz ZFSMRMKUAFQLAW-OOXMNIKJSA-N 1 2 373.440 3.784 20 30 FHEDLO C=CC[N@H+](C/C(C)=C\c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000584199276 938638623 /nfs/dbraw/zinc/63/86/23/938638623.db2.gz ZFSMRMKUAFQLAW-OOXMNIKJSA-N 1 2 373.440 3.784 20 30 FHEDLO CC(C)(C#N)CCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000135493946 938690331 /nfs/dbraw/zinc/69/03/31/938690331.db2.gz CRFXFGFZAUNAMX-UHFFFAOYSA-N 1 2 352.438 3.627 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000584385298 938793366 /nfs/dbraw/zinc/79/33/66/938793366.db2.gz FKNLCWZRVNMDCB-IERDGZPVSA-N 1 2 357.473 3.748 20 30 FHEDLO C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1cccc(C#N)c1 ZINC000611938854 938993456 /nfs/dbraw/zinc/99/34/56/938993456.db2.gz KWGLTACZDBSHKQ-KRWDZBQOSA-N 1 2 365.481 3.718 20 30 FHEDLO CCOc1cccc(/C=N\C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)c1O ZINC000255640813 939022870 /nfs/dbraw/zinc/02/28/70/939022870.db2.gz VWAXBDKOXWOSDT-QFVADWCQSA-N 1 2 368.477 3.592 20 30 FHEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000548907611 939914466 /nfs/dbraw/zinc/91/44/66/939914466.db2.gz NHBWHZVFEMBPHM-UHFFFAOYSA-N 1 2 371.510 3.526 20 30 FHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364528650 939959519 /nfs/dbraw/zinc/95/95/19/939959519.db2.gz JTFMHOWNIGPZKH-GOSISDBHSA-N 1 2 364.493 3.948 20 30 FHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364528650 939959522 /nfs/dbraw/zinc/95/95/22/939959522.db2.gz JTFMHOWNIGPZKH-GOSISDBHSA-N 1 2 364.493 3.948 20 30 FHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000179843039 939976873 /nfs/dbraw/zinc/97/68/73/939976873.db2.gz BSSNZFCQDCDGTO-UHFFFAOYSA-N 1 2 358.445 3.992 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@](C)(C#N)C2)c(C)c1 ZINC000612379451 940033939 /nfs/dbraw/zinc/03/39/39/940033939.db2.gz MEVXEUPLKUSXAB-FPOVZHCZSA-N 1 2 365.481 3.577 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1OCc1ccncc1 ZINC000612406789 940051699 /nfs/dbraw/zinc/05/16/99/940051699.db2.gz TYIGTIUWGNSPKK-NRFANRHFSA-N 1 2 351.450 3.795 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1OCc1ccncc1 ZINC000612406789 940051701 /nfs/dbraw/zinc/05/17/01/940051701.db2.gz TYIGTIUWGNSPKK-NRFANRHFSA-N 1 2 351.450 3.795 20 30 FHEDLO COc1cc(C[NH+]2CCOCC2)ccc1N[C@@H](C)c1cccc(C#N)c1 ZINC001167709560 941159043 /nfs/dbraw/zinc/15/90/43/941159043.db2.gz RJAVXHXDKMWFBO-INIZCTEOSA-N 1 2 351.450 3.572 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189537065 941161127 /nfs/dbraw/zinc/16/11/27/941161127.db2.gz KYGWKXKRIOJRJQ-IEBWSBKVSA-N 1 2 370.403 3.712 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189537065 941161128 /nfs/dbraw/zinc/16/11/28/941161128.db2.gz KYGWKXKRIOJRJQ-IEBWSBKVSA-N 1 2 370.403 3.712 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189740812 941269457 /nfs/dbraw/zinc/26/94/57/941269457.db2.gz ALPGAVYJDWMSLI-RBUKOAKNSA-N 1 2 370.403 3.712 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189740812 941269460 /nfs/dbraw/zinc/26/94/60/941269460.db2.gz ALPGAVYJDWMSLI-RBUKOAKNSA-N 1 2 370.403 3.712 20 30 FHEDLO C#CC[C@H]([NH2+]Cc1nc(-c2ccc(OC)c(OC)c2)no1)c1ccccc1 ZINC000376826315 941445640 /nfs/dbraw/zinc/44/56/40/941445640.db2.gz ADULUVADRDBXOH-KRWDZBQOSA-N 1 2 363.417 3.608 20 30 FHEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)cc1 ZINC000549180339 941595805 /nfs/dbraw/zinc/59/58/05/941595805.db2.gz MKTKNMSIHKFSAG-AZUAARDMSA-N 1 2 374.843 3.522 20 30 FHEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)cc1 ZINC000549180339 941595807 /nfs/dbraw/zinc/59/58/07/941595807.db2.gz MKTKNMSIHKFSAG-AZUAARDMSA-N 1 2 374.843 3.522 20 30 FHEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000565704659 941643819 /nfs/dbraw/zinc/64/38/19/941643819.db2.gz HMNHGNAUGNPOIV-IRLDBZIGSA-N 1 2 363.436 3.624 20 30 FHEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000565704659 941643823 /nfs/dbraw/zinc/64/38/23/941643823.db2.gz HMNHGNAUGNPOIV-IRLDBZIGSA-N 1 2 363.436 3.624 20 30 FHEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC000174112436 941700221 /nfs/dbraw/zinc/70/02/21/941700221.db2.gz XTRFPXWAHVUBKX-GFCCVEGCSA-N 1 2 370.384 3.591 20 30 FHEDLO C=CCCCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472765308 941715544 /nfs/dbraw/zinc/71/55/44/941715544.db2.gz DNSCDZRFXLSCEF-SJLPKXTDSA-N 1 2 369.431 3.895 20 30 FHEDLO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472765308 941715547 /nfs/dbraw/zinc/71/55/47/941715547.db2.gz DNSCDZRFXLSCEF-SJLPKXTDSA-N 1 2 369.431 3.895 20 30 FHEDLO Cc1nsc(N2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)c1C#N ZINC000565097978 941810295 /nfs/dbraw/zinc/81/02/95/941810295.db2.gz IUUBMBCIKGIFDF-NSCUHMNNSA-N 1 2 358.898 3.812 20 30 FHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000513475605 941954948 /nfs/dbraw/zinc/95/49/48/941954948.db2.gz KQAVDGYZXUAGBY-UHFFFAOYSA-N 1 2 356.429 3.631 20 30 FHEDLO C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(C#N)cc1 ZINC000541182946 942039186 /nfs/dbraw/zinc/03/91/86/942039186.db2.gz IAULOXFNGZFTCQ-QGZVFWFLSA-N 1 2 365.481 3.718 20 30 FHEDLO C[C@@H](c1ccccc1)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000549397203 942276322 /nfs/dbraw/zinc/27/63/22/942276322.db2.gz HQNNCFYLZXBRHS-INIZCTEOSA-N 1 2 354.475 3.558 20 30 FHEDLO C[C@@H](c1ccccc1)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000549397203 942276324 /nfs/dbraw/zinc/27/63/24/942276324.db2.gz HQNNCFYLZXBRHS-INIZCTEOSA-N 1 2 354.475 3.558 20 30 FHEDLO C=C(C)[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000187997864 942303140 /nfs/dbraw/zinc/30/31/40/942303140.db2.gz PJPKYBXEYDKNSW-GOSISDBHSA-N 1 2 360.408 3.778 20 30 FHEDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(C#N)cc1OC)CC2 ZINC000501252219 942364642 /nfs/dbraw/zinc/36/46/42/942364642.db2.gz GZLYSFVYOPPWKT-UHFFFAOYSA-N 1 2 366.461 3.923 20 30 FHEDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(C#N)cc1OC)CC2 ZINC000501252219 942364644 /nfs/dbraw/zinc/36/46/44/942364644.db2.gz GZLYSFVYOPPWKT-UHFFFAOYSA-N 1 2 366.461 3.923 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414433327 942448633 /nfs/dbraw/zinc/44/86/33/942448633.db2.gz BJFWILKTZZPKRV-UHFFFAOYSA-N 1 2 369.440 3.983 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414433327 942448656 /nfs/dbraw/zinc/44/86/56/942448656.db2.gz BJFWILKTZZPKRV-UHFFFAOYSA-N 1 2 369.440 3.983 20 30 FHEDLO CC(=O)NCC[N@H+](CCC(C)(C)C#N)Cc1ccc(Cl)cc1Cl ZINC000502782426 942755188 /nfs/dbraw/zinc/75/51/88/942755188.db2.gz CUNLPYWEQAHVTA-UHFFFAOYSA-N 1 2 356.297 3.871 20 30 FHEDLO CC(=O)NCC[N@@H+](CCC(C)(C)C#N)Cc1ccc(Cl)cc1Cl ZINC000502782426 942755193 /nfs/dbraw/zinc/75/51/93/942755193.db2.gz CUNLPYWEQAHVTA-UHFFFAOYSA-N 1 2 356.297 3.871 20 30 FHEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000514120547 942768794 /nfs/dbraw/zinc/76/87/94/942768794.db2.gz KXGFURVQMTUYTE-UHFFFAOYSA-N 1 2 366.440 3.717 20 30 FHEDLO N#CC(CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000514214615 942823934 /nfs/dbraw/zinc/82/39/34/942823934.db2.gz ODHSULUWXNCDNW-QFIPXVFZSA-N 1 2 374.484 3.566 20 30 FHEDLO N#CC(CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000514214615 942823941 /nfs/dbraw/zinc/82/39/41/942823941.db2.gz ODHSULUWXNCDNW-QFIPXVFZSA-N 1 2 374.484 3.566 20 30 FHEDLO CC(C)COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccco1 ZINC000273228026 942912705 /nfs/dbraw/zinc/91/27/05/942912705.db2.gz CIEUYZKLXZOCJN-IBGZPJMESA-N 1 2 369.465 3.530 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1Cl ZINC000430103337 942915463 /nfs/dbraw/zinc/91/54/63/942915463.db2.gz YWHFHISEUJDAOC-MRXNPFEDSA-N 1 2 371.930 3.694 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1Cl ZINC000430103337 942915468 /nfs/dbraw/zinc/91/54/68/942915468.db2.gz YWHFHISEUJDAOC-MRXNPFEDSA-N 1 2 371.930 3.694 20 30 FHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000075297085 943141457 /nfs/dbraw/zinc/14/14/57/943141457.db2.gz RDHJCTRJNKLOGF-RTWAWAEBSA-N 1 2 356.429 3.784 20 30 FHEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)s1 ZINC000435328441 943332720 /nfs/dbraw/zinc/33/27/20/943332720.db2.gz RGVSCQXKOBRUAS-UHFFFAOYSA-N 1 2 370.865 3.812 20 30 FHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162357138 943422526 /nfs/dbraw/zinc/42/25/26/943422526.db2.gz QAXVXALRZQYAMS-UHFFFAOYSA-N 1 2 354.454 3.685 20 30 FHEDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000437409192 943783992 /nfs/dbraw/zinc/78/39/92/943783992.db2.gz ISIAZLBCTSGXSD-UHFFFAOYSA-N 1 2 368.387 3.977 20 30 FHEDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000437409192 943783998 /nfs/dbraw/zinc/78/39/98/943783998.db2.gz ISIAZLBCTSGXSD-UHFFFAOYSA-N 1 2 368.387 3.977 20 30 FHEDLO COC(=O)CC[N@H+](CC#Cc1ccc(F)cc1)Cc1cccc(F)c1F ZINC000437568397 943926627 /nfs/dbraw/zinc/92/66/27/943926627.db2.gz MYMHZSMPSWGIPG-UHFFFAOYSA-N 1 2 361.363 3.521 20 30 FHEDLO COC(=O)CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccc(F)c1F ZINC000437568397 943926631 /nfs/dbraw/zinc/92/66/31/943926631.db2.gz MYMHZSMPSWGIPG-UHFFFAOYSA-N 1 2 361.363 3.521 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccccc1 ZINC000425491000 944123468 /nfs/dbraw/zinc/12/34/68/944123468.db2.gz ZVJSDAKTIXKPFM-UHFFFAOYSA-N 1 2 364.536 3.577 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccccc1 ZINC000425491000 944123470 /nfs/dbraw/zinc/12/34/70/944123470.db2.gz ZVJSDAKTIXKPFM-UHFFFAOYSA-N 1 2 364.536 3.577 20 30 FHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC=C(C)C2)c1C#N ZINC000436251981 944145630 /nfs/dbraw/zinc/14/56/30/944145630.db2.gz GOLZJJWJBHBUBS-UHFFFAOYSA-N 1 2 366.440 3.695 20 30 FHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC=C(C)C2)c1C#N ZINC000436251981 944145632 /nfs/dbraw/zinc/14/56/32/944145632.db2.gz GOLZJJWJBHBUBS-UHFFFAOYSA-N 1 2 366.440 3.695 20 30 FHEDLO N#Cc1ccc(N2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)nc1 ZINC000506459194 944241952 /nfs/dbraw/zinc/24/19/52/944241952.db2.gz JVGVWRZBQKYBTC-UHFFFAOYSA-N 1 2 352.825 3.675 20 30 FHEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518385860 944321946 /nfs/dbraw/zinc/32/19/46/944321946.db2.gz CCHRHMAIWLJZPS-CQSZACIVSA-N 1 2 372.375 3.821 20 30 FHEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518385860 944321951 /nfs/dbraw/zinc/32/19/51/944321951.db2.gz CCHRHMAIWLJZPS-CQSZACIVSA-N 1 2 372.375 3.821 20 30 FHEDLO N#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1Cl ZINC000123403324 944357274 /nfs/dbraw/zinc/35/72/74/944357274.db2.gz DKQHLHCOMDZRGO-UHFFFAOYSA-N 1 2 360.870 3.906 20 30 FHEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000122221133 944584874 /nfs/dbraw/zinc/58/48/74/944584874.db2.gz PCISWHNTOYVHGY-OAHLLOKOSA-N 1 2 362.543 3.692 20 30 FHEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000122221133 944584884 /nfs/dbraw/zinc/58/48/84/944584884.db2.gz PCISWHNTOYVHGY-OAHLLOKOSA-N 1 2 362.543 3.692 20 30 FHEDLO Cn1cc(C[N@H+](C)Cc2cc(Br)ccc2Cl)cc1C#N ZINC000426396776 944657978 /nfs/dbraw/zinc/65/79/78/944657978.db2.gz QJKDODDANAZBQS-UHFFFAOYSA-N 1 2 352.663 3.945 20 30 FHEDLO Cn1cc(C[N@@H+](C)Cc2cc(Br)ccc2Cl)cc1C#N ZINC000426396776 944657983 /nfs/dbraw/zinc/65/79/83/944657983.db2.gz QJKDODDANAZBQS-UHFFFAOYSA-N 1 2 352.663 3.945 20 30 FHEDLO C=C(C)[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000364427477 944684957 /nfs/dbraw/zinc/68/49/57/944684957.db2.gz QGMGERDTGJTGHB-GOSISDBHSA-N 1 2 360.408 3.894 20 30 FHEDLO C=C(C)[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)c(F)c1 ZINC000364427477 944684963 /nfs/dbraw/zinc/68/49/63/944684963.db2.gz QGMGERDTGJTGHB-GOSISDBHSA-N 1 2 360.408 3.894 20 30 FHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H](C)c3ccc(C#N)cc3)c2)n1 ZINC000194628414 944712280 /nfs/dbraw/zinc/71/22/80/944712280.db2.gz CVGFWOWPJXBAJF-QGZVFWFLSA-N 1 2 373.460 3.818 20 30 FHEDLO N#Cc1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(OC(F)F)c1 ZINC000439547124 944734754 /nfs/dbraw/zinc/73/47/54/944734754.db2.gz HDHADGXTIVFWKL-UHFFFAOYSA-N 1 2 373.403 3.604 20 30 FHEDLO COc1ccccc1C[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000015296255 944737720 /nfs/dbraw/zinc/73/77/20/944737720.db2.gz HLROUEQFOWAINI-UHFFFAOYSA-N 1 2 365.477 3.691 20 30 FHEDLO COc1ccccc1C[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000015296255 944737730 /nfs/dbraw/zinc/73/77/30/944737730.db2.gz HLROUEQFOWAINI-UHFFFAOYSA-N 1 2 365.477 3.691 20 30 FHEDLO C[C@@H](c1ccccc1Br)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000506935513 944776722 /nfs/dbraw/zinc/77/67/22/944776722.db2.gz CCDSLPMOSYVGTH-AWEZNQCLSA-N 1 2 371.282 3.599 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(F)c2)c1 ZINC000015300413 944878799 /nfs/dbraw/zinc/87/87/99/944878799.db2.gz LTAOJLFAOPQTLF-UHFFFAOYSA-N 1 2 353.441 3.821 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(F)c2)c1 ZINC000015300413 944878806 /nfs/dbraw/zinc/87/88/06/944878806.db2.gz LTAOJLFAOPQTLF-UHFFFAOYSA-N 1 2 353.441 3.821 20 30 FHEDLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000426468010 944896512 /nfs/dbraw/zinc/89/65/12/944896512.db2.gz IPLIINCWHVCJBI-ZWKOTPCHSA-N 1 2 352.434 3.900 20 30 FHEDLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000426468010 944896519 /nfs/dbraw/zinc/89/65/19/944896519.db2.gz IPLIINCWHVCJBI-ZWKOTPCHSA-N 1 2 352.434 3.900 20 30 FHEDLO N#Cc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c(Cl)c1 ZINC000426137307 944994201 /nfs/dbraw/zinc/99/42/01/944994201.db2.gz GECYBHTXVZRSMQ-UHFFFAOYSA-N 1 2 351.797 3.719 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440490202 945046329 /nfs/dbraw/zinc/04/63/29/945046329.db2.gz USNANEJMNKQVNQ-INIZCTEOSA-N 1 2 372.538 3.697 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440490202 945046337 /nfs/dbraw/zinc/04/63/37/945046337.db2.gz USNANEJMNKQVNQ-INIZCTEOSA-N 1 2 372.538 3.697 20 30 FHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000184372409 945052567 /nfs/dbraw/zinc/05/25/67/945052567.db2.gz WMKCOTCYFQQYSN-HNNXBMFYSA-N 1 2 371.531 3.617 20 30 FHEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCCC2)c2c1cccc2F ZINC000330285658 945446866 /nfs/dbraw/zinc/44/68/66/945446866.db2.gz ZFKYPBBYLNFFLO-CQSZACIVSA-N 1 2 354.429 3.583 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CSc2ccc3c(c2)CCC3)CCO1 ZINC000330329119 945568289 /nfs/dbraw/zinc/56/82/89/945568289.db2.gz MHIAOYAVGYPPAX-LPHOPBHVSA-N 1 2 371.506 3.878 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@H](C)COC ZINC000661243045 945896527 /nfs/dbraw/zinc/89/65/27/945896527.db2.gz IOPKZONAYBBXBY-SNVBAGLBSA-N 1 2 372.288 3.584 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@H](C)COC ZINC000661243045 945896536 /nfs/dbraw/zinc/89/65/36/945896536.db2.gz IOPKZONAYBBXBY-SNVBAGLBSA-N 1 2 372.288 3.584 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@@H](C)COC ZINC000661244116 945897596 /nfs/dbraw/zinc/89/75/96/945897596.db2.gz PZUHOOWKEDCGOR-JTQLQIEISA-N 1 2 372.288 3.584 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@@H](C)COC ZINC000661244116 945897608 /nfs/dbraw/zinc/89/76/08/945897608.db2.gz PZUHOOWKEDCGOR-JTQLQIEISA-N 1 2 372.288 3.584 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@H](C)COC ZINC000661247583 945913728 /nfs/dbraw/zinc/91/37/28/945913728.db2.gz PHAQZPUZJJVQFP-GFCCVEGCSA-N 1 2 366.259 3.522 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@H](C)COC ZINC000661247583 945913735 /nfs/dbraw/zinc/91/37/35/945913735.db2.gz PHAQZPUZJJVQFP-GFCCVEGCSA-N 1 2 366.259 3.522 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1ccc(OC)cc1 ZINC000054271973 946035667 /nfs/dbraw/zinc/03/56/67/946035667.db2.gz AJUBLEWLQLIYDR-UHFFFAOYSA-N 1 2 354.450 3.639 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1ccc(OC)cc1 ZINC000054271973 946035685 /nfs/dbraw/zinc/03/56/85/946035685.db2.gz AJUBLEWLQLIYDR-UHFFFAOYSA-N 1 2 354.450 3.639 20 30 FHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000661413281 946079286 /nfs/dbraw/zinc/07/92/86/946079286.db2.gz CLRNLXHLNCSBIF-GGPKGHCWSA-N 1 2 356.514 3.605 20 30 FHEDLO C=C(C)[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302396184 946216974 /nfs/dbraw/zinc/21/69/74/946216974.db2.gz KEHNZTFIBUEDKK-JLTOFOAXSA-N 1 2 374.435 3.693 20 30 FHEDLO C=C(C)[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302396184 946216984 /nfs/dbraw/zinc/21/69/84/946216984.db2.gz KEHNZTFIBUEDKK-JLTOFOAXSA-N 1 2 374.435 3.693 20 30 FHEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661537394 946244648 /nfs/dbraw/zinc/24/46/48/946244648.db2.gz AKSWPOFGKVTKLI-UHFFFAOYSA-N 1 2 355.507 3.593 20 30 FHEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661537394 946244657 /nfs/dbraw/zinc/24/46/57/946244657.db2.gz AKSWPOFGKVTKLI-UHFFFAOYSA-N 1 2 355.507 3.593 20 30 FHEDLO Cc1nc([C@@H]2CCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000248748024 946672590 /nfs/dbraw/zinc/67/25/90/946672590.db2.gz NSWLSTFSEYXVAT-OALUTQOASA-N 1 2 366.490 3.656 20 30 FHEDLO Cc1nc([C@@H]2CCC[N@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000248748024 946672597 /nfs/dbraw/zinc/67/25/97/946672597.db2.gz NSWLSTFSEYXVAT-OALUTQOASA-N 1 2 366.490 3.656 20 30 FHEDLO C=C(C)COc1cc(C[NH2+]Cc2ncnn2-c2ccccc2)ccc1OC ZINC000475292903 946811662 /nfs/dbraw/zinc/81/16/62/946811662.db2.gz ICTPXPUHGMSWAX-UHFFFAOYSA-N 1 2 364.449 3.521 20 30 FHEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000127297238 946932614 /nfs/dbraw/zinc/93/26/14/946932614.db2.gz AFIJTVMFJQFVSF-QMMMGPOBSA-N 1 2 371.268 3.575 20 30 FHEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000127297238 946932605 /nfs/dbraw/zinc/93/26/05/946932605.db2.gz AFIJTVMFJQFVSF-QMMMGPOBSA-N 1 2 371.268 3.575 20 30 FHEDLO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000114811925 946939100 /nfs/dbraw/zinc/93/91/00/946939100.db2.gz DXFXWDIPIROWON-KRWDZBQOSA-N 1 2 366.465 3.557 20 30 FHEDLO C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328618018 946957865 /nfs/dbraw/zinc/95/78/65/946957865.db2.gz USUHVMDAVPBWCM-UWJYYQICSA-N 1 2 352.482 3.728 20 30 FHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661952273 946959424 /nfs/dbraw/zinc/95/94/24/946959424.db2.gz AZHGUAJRBYOSKF-UHFFFAOYSA-N 1 2 358.507 3.738 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328685715 946986911 /nfs/dbraw/zinc/98/69/11/946986911.db2.gz XQPDAVKEVNUBKO-YXJHDRRASA-N 1 2 367.852 3.937 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328685715 946986915 /nfs/dbraw/zinc/98/69/15/946986915.db2.gz XQPDAVKEVNUBKO-YXJHDRRASA-N 1 2 367.852 3.937 20 30 FHEDLO C[C@@H]1CCN(C(=O)NCC2CC(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000328688365 946988207 /nfs/dbraw/zinc/98/82/07/946988207.db2.gz HQLMEAZZSFEZKP-OQUMVOOASA-N 1 2 352.482 3.874 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCCO[C@@H](C)C1 ZINC000328812983 947032189 /nfs/dbraw/zinc/03/21/89/947032189.db2.gz FULKKTMAQXIREE-KBPBESRZSA-N 1 2 361.511 3.976 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCCO[C@@H](C)C1 ZINC000328812983 947032197 /nfs/dbraw/zinc/03/21/97/947032197.db2.gz FULKKTMAQXIREE-KBPBESRZSA-N 1 2 361.511 3.976 20 30 FHEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328789203 947047280 /nfs/dbraw/zinc/04/72/80/947047280.db2.gz PVFJMUVPTUBTGO-ZBFHGGJFSA-N 1 2 356.470 3.739 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CC=C(C(F)(F)F)CC1)C2 ZINC000328792073 947049248 /nfs/dbraw/zinc/04/92/48/947049248.db2.gz AASFWVASODMQRU-CYBMUJFWSA-N 1 2 370.419 3.604 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)C[C@](C)(O)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328878971 947080018 /nfs/dbraw/zinc/08/00/18/947080018.db2.gz UYUJXYNPXCEWAU-JQHSSLGASA-N 1 2 354.853 3.732 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)C[C@](C)(O)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328878971 947080027 /nfs/dbraw/zinc/08/00/27/947080027.db2.gz UYUJXYNPXCEWAU-JQHSSLGASA-N 1 2 354.853 3.732 20 30 FHEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1scnc1C1CC1 ZINC000328914752 947105632 /nfs/dbraw/zinc/10/56/32/947105632.db2.gz JCVBOCJREOHLPW-UHFFFAOYSA-N 1 2 357.483 3.932 20 30 FHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)COC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000328968679 947128410 /nfs/dbraw/zinc/12/84/10/947128410.db2.gz NWBMUMHOWPOXJD-PKOBYXMFSA-N 1 2 366.889 3.627 20 30 FHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)COC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000328968679 947128415 /nfs/dbraw/zinc/12/84/15/947128415.db2.gz NWBMUMHOWPOXJD-PKOBYXMFSA-N 1 2 366.889 3.627 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000328997021 947138396 /nfs/dbraw/zinc/13/83/96/947138396.db2.gz WRMBBTQHFQDATJ-HSALFYBXSA-N 1 2 372.509 3.538 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000328997021 947138399 /nfs/dbraw/zinc/13/83/99/947138399.db2.gz WRMBBTQHFQDATJ-HSALFYBXSA-N 1 2 372.509 3.538 20 30 FHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184398003 947245471 /nfs/dbraw/zinc/24/54/71/947245471.db2.gz NVEQYHQJZOBVNC-OLZOCXBDSA-N 1 2 360.508 3.827 20 30 FHEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051756022 947262876 /nfs/dbraw/zinc/26/28/76/947262876.db2.gz YLKJZEQHVSWNCP-UHFFFAOYSA-N 1 2 357.429 3.744 20 30 FHEDLO C=CCCO[C@@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665007794 947274543 /nfs/dbraw/zinc/27/45/43/947274543.db2.gz MVGYCOQXWLVKCS-RYRKJORJSA-N 1 2 357.454 3.685 20 30 FHEDLO C=CCCO[C@@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665007794 947274552 /nfs/dbraw/zinc/27/45/52/947274552.db2.gz MVGYCOQXWLVKCS-RYRKJORJSA-N 1 2 357.454 3.685 20 30 FHEDLO CC(C)(CNC(=O)Nc1cc(Cl)c(Cl)cc1F)[NH+]1CCOCC1 ZINC000331311883 947384257 /nfs/dbraw/zinc/38/42/57/947384257.db2.gz VLCOGMIKXCCCML-UHFFFAOYSA-N 1 2 364.248 3.569 20 30 FHEDLO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000444978096 947385166 /nfs/dbraw/zinc/38/51/66/947385166.db2.gz HNUSIHTZLCTOQM-UHFFFAOYSA-N 1 2 373.460 3.698 20 30 FHEDLO CC[C@H](C)[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(F)(F)F ZINC000331331471 947387296 /nfs/dbraw/zinc/38/72/96/947387296.db2.gz UIFSLYUYOACHHW-YDHLFZDLSA-N 1 2 360.424 3.566 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2sccc2C#N)c(C)c1 ZINC000441492344 948028596 /nfs/dbraw/zinc/02/85/96/948028596.db2.gz POLXGJGCAUNGDS-KRWDZBQOSA-N 1 2 350.447 3.604 20 30 FHEDLO C[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccccc1C#N ZINC000278922488 948125780 /nfs/dbraw/zinc/12/57/80/948125780.db2.gz LTTKGLGWFFOAAJ-UWVGGRQHSA-N 1 2 368.384 3.711 20 30 FHEDLO C=C(C)C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(CO)o1 ZINC000512170966 948623464 /nfs/dbraw/zinc/62/34/64/948623464.db2.gz UYGNQUURMSSOOP-UHFFFAOYSA-N 1 2 351.450 3.595 20 30 FHEDLO C=C(C)C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(CO)o1 ZINC000512170966 948623469 /nfs/dbraw/zinc/62/34/69/948623469.db2.gz UYGNQUURMSSOOP-UHFFFAOYSA-N 1 2 351.450 3.595 20 30 FHEDLO CCc1onc(C)c1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328655047 523032964 /nfs/dbraw/zinc/03/29/64/523032964.db2.gz YABCYICJIXCAFF-STQMWFEESA-N 1 2 351.447 3.524 20 30 FHEDLO CCc1onc(C)c1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328655047 523032972 /nfs/dbraw/zinc/03/29/72/523032972.db2.gz YABCYICJIXCAFF-STQMWFEESA-N 1 2 351.447 3.524 20 30 FHEDLO COc1ccc(-c2nc(CO[NH+]=C(N)c3ccc(Cl)cc3)co2)cc1 ZINC000022842504 523211394 /nfs/dbraw/zinc/21/13/94/523211394.db2.gz HUAYGURTXFBVBC-UHFFFAOYSA-N 1 2 357.797 3.841 20 30 FHEDLO CN(C(=O)NCC1(C#N)CCCCC1)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603435334 568100564 /nfs/dbraw/zinc/10/05/64/568100564.db2.gz JMQMVROQVSVQQV-QGZVFWFLSA-N 1 2 369.444 3.754 20 30 FHEDLO CN(C(=O)NCC1(C#N)CCCCC1)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603435333 568100573 /nfs/dbraw/zinc/10/05/73/568100573.db2.gz JMQMVROQVSVQQV-KRWDZBQOSA-N 1 2 369.444 3.754 20 30 FHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000330305434 568212003 /nfs/dbraw/zinc/21/20/03/568212003.db2.gz QRJNTALMIIAVDE-OKZBNKHCSA-N 1 2 372.513 3.911 20 30 FHEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000482092247 568258961 /nfs/dbraw/zinc/25/89/61/568258961.db2.gz WZPNDVSNYOYLPG-QGZVFWFLSA-N 1 2 373.456 3.752 20 30 FHEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000609485340 568343798 /nfs/dbraw/zinc/34/37/98/568343798.db2.gz NRANCJPTFRTOFB-MRXNPFEDSA-N 1 2 356.297 3.538 20 30 FHEDLO CSc1nc(C2CC2)cc(-c2nc(Cc3ccc(C)[nH+]c3)no2)c1C#N ZINC000569408187 568401101 /nfs/dbraw/zinc/40/11/01/568401101.db2.gz AJLORZALUVTWAE-UHFFFAOYSA-N 1 2 363.446 3.897 20 30 FHEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542012910 568632425 /nfs/dbraw/zinc/63/24/25/568632425.db2.gz ZOBZGCKSPZDBRE-IAGOWNOFSA-N 1 2 373.460 3.871 20 30 FHEDLO CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C[C@@H](C)C#N ZINC000049982450 568641844 /nfs/dbraw/zinc/64/18/44/568641844.db2.gz IKENYXPENKWFHI-JXFKEZNVSA-N 1 2 355.507 3.744 20 30 FHEDLO CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C[C@@H](C)C#N ZINC000049982450 568641848 /nfs/dbraw/zinc/64/18/48/568641848.db2.gz IKENYXPENKWFHI-JXFKEZNVSA-N 1 2 355.507 3.744 20 30 FHEDLO N#Cc1cnn2cc(C[N@H+](Cc3ccc(F)cc3Cl)CC3CC3)cnc12 ZINC000582965441 936330287 /nfs/dbraw/zinc/33/02/87/936330287.db2.gz QJOWPCVKBWZDHQ-UHFFFAOYSA-N 1 2 369.831 3.806 20 30 FHEDLO N#Cc1cnn2cc(C[N@@H+](Cc3ccc(F)cc3Cl)CC3CC3)cnc12 ZINC000582965441 936330290 /nfs/dbraw/zinc/33/02/90/936330290.db2.gz QJOWPCVKBWZDHQ-UHFFFAOYSA-N 1 2 369.831 3.806 20 30 FHEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1OC(F)F ZINC000162247064 936361498 /nfs/dbraw/zinc/36/14/98/936361498.db2.gz NOTBZEDRXILWAZ-UHFFFAOYSA-N 1 2 363.364 3.986 20 30 FHEDLO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167653286 937145788 /nfs/dbraw/zinc/14/57/88/937145788.db2.gz KHLPNGXVCJJCPH-QGZVFWFLSA-N 1 2 350.422 3.697 20 30 FHEDLO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167653286 937145789 /nfs/dbraw/zinc/14/57/89/937145789.db2.gz KHLPNGXVCJJCPH-QGZVFWFLSA-N 1 2 350.422 3.697 20 30 FHEDLO N#CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000530505196 927974954 /nfs/dbraw/zinc/97/49/54/927974954.db2.gz FFMSQSMRDHJITP-INIZCTEOSA-N 1 2 352.265 3.724 20 30 FHEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000430219270 928252655 /nfs/dbraw/zinc/25/26/55/928252655.db2.gz OJJQPCIKCALELH-UGSOOPFHSA-N 1 2 363.383 3.878 20 30 FHEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000430219270 928252667 /nfs/dbraw/zinc/25/26/67/928252667.db2.gz OJJQPCIKCALELH-UGSOOPFHSA-N 1 2 363.383 3.878 20 30 FHEDLO N#CCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000009881185 928517606 /nfs/dbraw/zinc/51/76/06/928517606.db2.gz FZAIZDICDJAUKW-UHFFFAOYSA-N 1 2 359.474 3.788 20 30 FHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000471179622 928621707 /nfs/dbraw/zinc/62/17/07/928621707.db2.gz VBLCQLNOWMBFCY-OAQYLSRUSA-N 1 2 363.461 3.779 20 30 FHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000471179622 928621720 /nfs/dbraw/zinc/62/17/20/928621720.db2.gz VBLCQLNOWMBFCY-OAQYLSRUSA-N 1 2 363.461 3.779 20 30 FHEDLO N#Cc1cnc2c(F)ccc(F)c2c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000610246061 929625283 /nfs/dbraw/zinc/62/52/83/929625283.db2.gz VPZLXDCHZRKFNT-UHFFFAOYSA-N 1 2 365.387 3.935 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177632714 929717552 /nfs/dbraw/zinc/71/75/52/929717552.db2.gz KEUNLUDJTASIBE-AWEZNQCLSA-N 1 2 363.914 3.832 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177632714 929717566 /nfs/dbraw/zinc/71/75/66/929717566.db2.gz KEUNLUDJTASIBE-AWEZNQCLSA-N 1 2 363.914 3.832 20 30 FHEDLO C#CCCCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000155931607 937369935 /nfs/dbraw/zinc/36/99/35/937369935.db2.gz NQVRIJHOVQYUFZ-QGZVFWFLSA-N 1 2 363.299 3.506 20 30 FHEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530958369 929943895 /nfs/dbraw/zinc/94/38/95/929943895.db2.gz ZCLQPBLLYGQEQC-UHFFFAOYSA-N 1 2 355.441 3.829 20 30 FHEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530958369 929943900 /nfs/dbraw/zinc/94/39/00/929943900.db2.gz ZCLQPBLLYGQEQC-UHFFFAOYSA-N 1 2 355.441 3.829 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000610341096 930036508 /nfs/dbraw/zinc/03/65/08/930036508.db2.gz XYADBFVMGUFQEM-LSDHHAIUSA-N 1 2 357.404 3.951 20 30 FHEDLO COCCOc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1OC ZINC000255182010 930374789 /nfs/dbraw/zinc/37/47/89/930374789.db2.gz MPLSCRCPJBSVOH-SREVYHEPSA-N 1 2 366.417 3.573 20 30 FHEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1cccc(F)c1 ZINC000156814829 931559103 /nfs/dbraw/zinc/55/91/03/931559103.db2.gz MBKYEYOWFWPICY-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1cccc(F)c1 ZINC000156814829 931559105 /nfs/dbraw/zinc/55/91/05/931559105.db2.gz MBKYEYOWFWPICY-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO COc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1C#N ZINC000135086210 931883398 /nfs/dbraw/zinc/88/33/98/931883398.db2.gz FXBRVZSJVLCGED-UHFFFAOYSA-N 1 2 352.278 3.884 20 30 FHEDLO COc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1C#N ZINC000135086210 931883411 /nfs/dbraw/zinc/88/34/11/931883411.db2.gz FXBRVZSJVLCGED-UHFFFAOYSA-N 1 2 352.278 3.884 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000077233993 932062058 /nfs/dbraw/zinc/06/20/58/932062058.db2.gz HBVNKHVKVOOQQK-MRXNPFEDSA-N 1 2 356.491 3.546 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000077233993 932062061 /nfs/dbraw/zinc/06/20/61/932062061.db2.gz HBVNKHVKVOOQQK-MRXNPFEDSA-N 1 2 356.491 3.546 20 30 FHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000157321004 932333347 /nfs/dbraw/zinc/33/33/47/932333347.db2.gz GAKSCTROCZWOTQ-UHFFFAOYSA-N 1 2 369.852 3.694 20 30 FHEDLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)ccn12 ZINC001125529871 932553944 /nfs/dbraw/zinc/55/39/44/932553944.db2.gz XUJJHEGPOLAFBZ-UHFFFAOYSA-N 1 2 369.384 3.954 20 30 FHEDLO C=CCOc1cccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000510535947 933196930 /nfs/dbraw/zinc/19/69/30/933196930.db2.gz CGFMHJPIYLERFC-UHFFFAOYSA-N 1 2 362.433 3.818 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1Cl ZINC000510539467 933200009 /nfs/dbraw/zinc/20/00/09/933200009.db2.gz QNKNKMJRYZZFOQ-LJQANCHMSA-N 1 2 370.880 3.968 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1Cl ZINC000510539467 933200018 /nfs/dbraw/zinc/20/00/18/933200018.db2.gz QNKNKMJRYZZFOQ-LJQANCHMSA-N 1 2 370.880 3.968 20 30 FHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933837009 933671333 /nfs/dbraw/zinc/67/13/33/933671333.db2.gz PJBXPRKJMBEADC-GOSISDBHSA-N 1 2 351.454 3.869 20 30 FHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)Cc1ccc(OC)cc1 ZINC000510868781 933901746 /nfs/dbraw/zinc/90/17/46/933901746.db2.gz UEIBHNBDICOJGI-IBGZPJMESA-N 1 2 366.505 3.739 20 30 FHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)Cc1ccc(OC)cc1 ZINC000510868781 933901751 /nfs/dbraw/zinc/90/17/51/933901751.db2.gz UEIBHNBDICOJGI-IBGZPJMESA-N 1 2 366.505 3.739 20 30 FHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000092539526 934088894 /nfs/dbraw/zinc/08/88/94/934088894.db2.gz ILJCTSSJDOSBKG-UHFFFAOYSA-N 1 2 369.509 3.594 20 30 FHEDLO Cc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C(C)C)s1 ZINC000176217580 934632041 /nfs/dbraw/zinc/63/20/41/934632041.db2.gz PZISBDAYMVCWKH-UHFFFAOYSA-N 1 2 362.520 3.613 20 30 FHEDLO Cc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C(C)C)s1 ZINC000176217580 934632050 /nfs/dbraw/zinc/63/20/50/934632050.db2.gz PZISBDAYMVCWKH-UHFFFAOYSA-N 1 2 362.520 3.613 20 30 FHEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176286533 934742173 /nfs/dbraw/zinc/74/21/73/934742173.db2.gz QOAYETQODSFKSN-BEFAXECRSA-N 1 2 372.490 3.707 20 30 FHEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176286533 934742175 /nfs/dbraw/zinc/74/21/75/934742175.db2.gz QOAYETQODSFKSN-BEFAXECRSA-N 1 2 372.490 3.707 20 30 FHEDLO N#Cc1ccc(SCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000119641724 934963989 /nfs/dbraw/zinc/96/39/89/934963989.db2.gz WSSJJIANNKMGKL-UHFFFAOYSA-N 1 2 372.519 3.731 20 30 FHEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000519052860 945078646 /nfs/dbraw/zinc/07/86/46/945078646.db2.gz MNJZYPMTKMZRNG-OAHLLOKOSA-N 1 2 361.405 3.757 20 30 FHEDLO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000561994124 935181475 /nfs/dbraw/zinc/18/14/75/935181475.db2.gz QSUPCPPTHKUSRN-OAQYLSRUSA-N 1 2 364.445 3.706 20 30 FHEDLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000157997561 935260697 /nfs/dbraw/zinc/26/06/97/935260697.db2.gz UGQBXAMDHKRUDX-CYBMUJFWSA-N 1 2 364.453 3.719 20 30 FHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000072076074 935276041 /nfs/dbraw/zinc/27/60/41/935276041.db2.gz USJLCCQNLFMOCV-UHFFFAOYSA-N 1 2 356.267 3.643 20 30 FHEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000127811504 935810964 /nfs/dbraw/zinc/81/09/64/935810964.db2.gz GSQCPXJXJIKGPU-OAHLLOKOSA-N 1 2 363.845 3.650 20 30 FHEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000127811504 935810966 /nfs/dbraw/zinc/81/09/66/935810966.db2.gz GSQCPXJXJIKGPU-OAHLLOKOSA-N 1 2 363.845 3.650 20 30 FHEDLO C[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1cccc(C#N)c1 ZINC000046518086 935910278 /nfs/dbraw/zinc/91/02/78/935910278.db2.gz UJRBMDSKZFTYGI-UHFFFAOYSA-N 1 2 373.210 3.596 20 30 FHEDLO C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1cccc(C#N)c1 ZINC000046518086 935910279 /nfs/dbraw/zinc/91/02/79/935910279.db2.gz UJRBMDSKZFTYGI-UHFFFAOYSA-N 1 2 373.210 3.596 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCOCC2)c(C(F)(F)F)c1 ZINC000934635354 936076868 /nfs/dbraw/zinc/07/68/68/936076868.db2.gz UUULWBHVABBQGN-QGZVFWFLSA-N 1 2 368.399 3.595 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC2CCOCC2)c(C(F)(F)F)c1 ZINC000934635354 936076871 /nfs/dbraw/zinc/07/68/71/936076871.db2.gz UUULWBHVABBQGN-QGZVFWFLSA-N 1 2 368.399 3.595 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OCC2CCC2)[N@H+](C)C1 ZINC000329165403 938275997 /nfs/dbraw/zinc/27/59/97/938275997.db2.gz HDOGQIZAGMCGRL-HOCLYGCPSA-N 1 2 352.862 3.826 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OCC2CCC2)[N@@H+](C)C1 ZINC000329165403 938275999 /nfs/dbraw/zinc/27/59/99/938275999.db2.gz HDOGQIZAGMCGRL-HOCLYGCPSA-N 1 2 352.862 3.826 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1Cl ZINC000246106419 938339445 /nfs/dbraw/zinc/33/94/45/938339445.db2.gz JOBHYYZGYRLRRO-HHXXYDBFSA-N 1 2 351.874 3.673 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1Cl ZINC000246106419 938339449 /nfs/dbraw/zinc/33/94/49/938339449.db2.gz JOBHYYZGYRLRRO-HHXXYDBFSA-N 1 2 351.874 3.673 20 30 FHEDLO N#Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1Cl ZINC000583953139 938501407 /nfs/dbraw/zinc/50/14/07/938501407.db2.gz RZJNFNARHDJXIG-UHFFFAOYSA-N 1 2 360.870 3.906 20 30 FHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000584048256 938567981 /nfs/dbraw/zinc/56/79/81/938567981.db2.gz IYOOVFXAJQNGNL-MRXNPFEDSA-N 1 2 359.857 3.751 20 30 FHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000584048256 938567986 /nfs/dbraw/zinc/56/79/86/938567986.db2.gz IYOOVFXAJQNGNL-MRXNPFEDSA-N 1 2 359.857 3.751 20 30 FHEDLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccc(C#N)cc1 ZINC000162122910 938667573 /nfs/dbraw/zinc/66/75/73/938667573.db2.gz JSXGNTAXXXVHDR-HOTGVXAUSA-N 1 2 368.506 3.769 20 30 FHEDLO N#CCCC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000458800958 938941459 /nfs/dbraw/zinc/94/14/59/938941459.db2.gz MFSGKINCVROCBN-LJQANCHMSA-N 1 2 351.454 3.665 20 30 FHEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)cnn1-c1ccc(C#N)cc1 ZINC000255633142 939019206 /nfs/dbraw/zinc/01/92/06/939019206.db2.gz ZOZHAUSDZHCXPU-KTKRTIGZSA-N 1 2 353.385 3.596 20 30 FHEDLO CC1(C#N)CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000506023190 945227818 /nfs/dbraw/zinc/22/78/18/945227818.db2.gz UHARFKXDAADFEO-IBGZPJMESA-N 1 2 353.491 3.579 20 30 FHEDLO C#Cc1cccc(N(CC)C(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000728611464 939956273 /nfs/dbraw/zinc/95/62/73/939956273.db2.gz HPUXUOUHICCDBJ-UHFFFAOYSA-N 1 2 363.486 3.910 20 30 FHEDLO N#Cc1nccnc1NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066859998 945302972 /nfs/dbraw/zinc/30/29/72/945302972.db2.gz RLNLJOCTXJEYPQ-UHFFFAOYSA-N 1 2 362.264 3.732 20 30 FHEDLO N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)c2)c1 ZINC000376180685 940432177 /nfs/dbraw/zinc/43/21/77/940432177.db2.gz IJMOZPJVGHPYGF-SFHVURJKSA-N 1 2 372.428 3.535 20 30 FHEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCCOc2ccc(C#N)cc2)n1 ZINC000178036335 940598879 /nfs/dbraw/zinc/59/88/79/940598879.db2.gz VNESXGAAOMSXDP-AWEZNQCLSA-N 1 2 360.483 3.656 20 30 FHEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)n1 ZINC000178036335 940598882 /nfs/dbraw/zinc/59/88/82/940598882.db2.gz VNESXGAAOMSXDP-AWEZNQCLSA-N 1 2 360.483 3.656 20 30 FHEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCOC2(C1)CCCCCC2 ZINC000330095511 945354345 /nfs/dbraw/zinc/35/43/45/945354345.db2.gz VQFSSRYAUZRYKL-UHFFFAOYSA-N 1 2 368.481 3.712 20 30 FHEDLO CC(C)C[N@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(C#N)cc1 ZINC000414373437 941065732 /nfs/dbraw/zinc/06/57/32/941065732.db2.gz SHUQZYQZQBRMOD-UHFFFAOYSA-N 1 2 362.520 3.681 20 30 FHEDLO CC(C)C[N@@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(C#N)cc1 ZINC000414373437 941065733 /nfs/dbraw/zinc/06/57/33/941065733.db2.gz SHUQZYQZQBRMOD-UHFFFAOYSA-N 1 2 362.520 3.681 20 30 FHEDLO Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc(C[NH+]3CCOCC3)c1)O2 ZINC000330003936 941125500 /nfs/dbraw/zinc/12/55/00/941125500.db2.gz ARBOEAMMYVTRRX-OAQYLSRUSA-N 1 2 366.461 3.809 20 30 FHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000376594770 941279191 /nfs/dbraw/zinc/27/91/91/941279191.db2.gz HIBGIEUXVJWTEN-UHFFFAOYSA-N 1 2 362.408 3.933 20 30 FHEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1nc(C(F)F)n(C)c1=S ZINC000782929104 941290731 /nfs/dbraw/zinc/29/07/31/941290731.db2.gz FBOMXOVMIMRISA-UHFFFAOYSA-N 1 2 365.453 3.876 20 30 FHEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1nc(C(F)F)n(C)c1=S ZINC000782929104 941290733 /nfs/dbraw/zinc/29/07/33/941290733.db2.gz FBOMXOVMIMRISA-UHFFFAOYSA-N 1 2 365.453 3.876 20 30 FHEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2ccc(OC)c(OC)c2)no1)c1ccccc1 ZINC000376826318 941445674 /nfs/dbraw/zinc/44/56/74/941445674.db2.gz ADULUVADRDBXOH-QGZVFWFLSA-N 1 2 363.417 3.608 20 30 FHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)c(F)ccc1OCC)C2 ZINC001143493661 941666620 /nfs/dbraw/zinc/66/66/20/941666620.db2.gz LBWLGZSVQPEGKN-FOIQADDNSA-N 1 2 367.436 3.690 20 30 FHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)c(F)ccc1OCC)C2 ZINC001143493661 941666622 /nfs/dbraw/zinc/66/66/22/941666622.db2.gz LBWLGZSVQPEGKN-FOIQADDNSA-N 1 2 367.436 3.690 20 30 FHEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)N1CCCCCC1 ZINC000513201586 941777735 /nfs/dbraw/zinc/77/77/35/941777735.db2.gz ORAPZRUWMHUZHS-UHFFFAOYSA-N 1 2 366.427 3.781 20 30 FHEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)N1CCCCCC1 ZINC000513201586 941777738 /nfs/dbraw/zinc/77/77/38/941777738.db2.gz ORAPZRUWMHUZHS-UHFFFAOYSA-N 1 2 366.427 3.781 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614682 941844833 /nfs/dbraw/zinc/84/48/33/941844833.db2.gz JPLVINXYZSBIBK-ROUUACIJSA-N 1 2 352.434 3.681 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614682 941844837 /nfs/dbraw/zinc/84/48/37/941844837.db2.gz JPLVINXYZSBIBK-ROUUACIJSA-N 1 2 352.434 3.681 20 30 FHEDLO N#CCCC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000458807580 941991969 /nfs/dbraw/zinc/99/19/69/941991969.db2.gz XQBPLXGEMRQFLV-UXHICEINSA-N 1 2 364.449 3.679 20 30 FHEDLO N#CCCC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000458807584 942005686 /nfs/dbraw/zinc/00/56/86/942005686.db2.gz XQBPLXGEMRQFLV-WOJBJXKFSA-N 1 2 364.449 3.679 20 30 FHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420939895 942265374 /nfs/dbraw/zinc/26/53/74/942265374.db2.gz CIUKHFIOXZPJJB-WCQYABFASA-N 1 2 357.376 3.760 20 30 FHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420939895 942265377 /nfs/dbraw/zinc/26/53/77/942265377.db2.gz CIUKHFIOXZPJJB-WCQYABFASA-N 1 2 357.376 3.760 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000420943964 942268056 /nfs/dbraw/zinc/26/80/56/942268056.db2.gz IWCKRGYYPZPVGH-NSHDSACASA-N 1 2 359.779 3.815 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000420943964 942268057 /nfs/dbraw/zinc/26/80/57/942268057.db2.gz IWCKRGYYPZPVGH-NSHDSACASA-N 1 2 359.779 3.815 20 30 FHEDLO C=C(CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000501106789 942310206 /nfs/dbraw/zinc/31/02/06/942310206.db2.gz ZFYCTJYUCWIEKJ-VQTJNVASSA-N 1 2 371.431 3.723 20 30 FHEDLO C=C(CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000501106789 942310211 /nfs/dbraw/zinc/31/02/11/942310211.db2.gz ZFYCTJYUCWIEKJ-VQTJNVASSA-N 1 2 371.431 3.723 20 30 FHEDLO COc1cc(C#N)ccc1C[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000501204501 942351540 /nfs/dbraw/zinc/35/15/40/942351540.db2.gz KVDIPKFBDCGISS-HNNXBMFYSA-N 1 2 371.431 3.724 20 30 FHEDLO CCc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000501298661 942385924 /nfs/dbraw/zinc/38/59/24/942385924.db2.gz OHUKYGWNICNHSY-UHFFFAOYSA-N 1 2 366.440 3.609 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502513177 942507110 /nfs/dbraw/zinc/50/71/10/942507110.db2.gz WGXVCQWIJAGZDX-CQSZACIVSA-N 1 2 367.399 3.953 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502513177 942507114 /nfs/dbraw/zinc/50/71/14/942507114.db2.gz WGXVCQWIJAGZDX-CQSZACIVSA-N 1 2 367.399 3.953 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000502552320 942530564 /nfs/dbraw/zinc/53/05/64/942530564.db2.gz FHOGACUHTCAWHR-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000502552320 942530567 /nfs/dbraw/zinc/53/05/67/942530567.db2.gz FHOGACUHTCAWHR-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000502753660 942718933 /nfs/dbraw/zinc/71/89/33/942718933.db2.gz OLKXKVXAQKWMMU-LJQANCHMSA-N 1 2 360.417 3.990 20 30 FHEDLO Cc1ccccc1[C@]1(F)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945126 942862659 /nfs/dbraw/zinc/86/26/59/942862659.db2.gz VPVZBYROWIDHSR-IRLDBZIGSA-N 1 2 363.436 3.543 20 30 FHEDLO Cc1ccccc1[C@]1(F)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945126 942862663 /nfs/dbraw/zinc/86/26/63/942862663.db2.gz VPVZBYROWIDHSR-IRLDBZIGSA-N 1 2 363.436 3.543 20 30 FHEDLO C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000435093011 943158768 /nfs/dbraw/zinc/15/87/68/943158768.db2.gz ZLFNAZWLDJPJQL-MRXNPFEDSA-N 1 2 356.429 3.653 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(C)(C#N)CC2)ccc1Cl ZINC000272485358 943163671 /nfs/dbraw/zinc/16/36/71/943163671.db2.gz BMTPWKFHZYGJSE-UHFFFAOYSA-N 1 2 358.873 3.521 20 30 FHEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)Cc1cccs1 ZINC000019540645 943344178 /nfs/dbraw/zinc/34/41/78/943344178.db2.gz UGDWTOODRUVNMF-UHFFFAOYSA-N 1 2 357.479 3.701 20 30 FHEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)Cc1cccs1 ZINC000019540645 943344183 /nfs/dbraw/zinc/34/41/83/943344183.db2.gz UGDWTOODRUVNMF-UHFFFAOYSA-N 1 2 357.479 3.701 20 30 FHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000505697307 943424508 /nfs/dbraw/zinc/42/45/08/943424508.db2.gz GGBOXBGYNRBURP-UHFFFAOYSA-N 1 2 362.389 3.584 20 30 FHEDLO C=CCn1cc(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)nn1 ZINC000424291709 943822114 /nfs/dbraw/zinc/82/21/14/943822114.db2.gz FGUQNAANXNROEH-MRXNPFEDSA-N 1 2 365.250 3.607 20 30 FHEDLO C=CCn1cc(C[NH2+][C@H]2CCSc3ccc(Br)cc32)nn1 ZINC000424300222 943827017 /nfs/dbraw/zinc/82/70/17/943827017.db2.gz XDESXTUBQUSZSI-AWEZNQCLSA-N 1 2 365.300 3.553 20 30 FHEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000660291023 943909010 /nfs/dbraw/zinc/90/90/10/943909010.db2.gz UFISDQYPNAUFJQ-PXNSSMCTSA-N 1 2 352.482 3.866 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]34)CC2)cc1 ZINC000505154664 944082947 /nfs/dbraw/zinc/08/29/47/944082947.db2.gz KJGKCXUHJDQXGR-FDFHNCONSA-N 1 2 365.521 3.809 20 30 FHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1snc(Cl)c1C#N ZINC000092658916 944101890 /nfs/dbraw/zinc/10/18/90/944101890.db2.gz ZHHJUOFYENBTOC-UHFFFAOYSA-N 1 2 361.902 3.806 20 30 FHEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)cc1 ZINC000500158810 944183406 /nfs/dbraw/zinc/18/34/06/944183406.db2.gz JLOPEEISTHZLTL-SFHVURJKSA-N 1 2 371.843 3.699 20 30 FHEDLO C#CCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)cc1 ZINC000364312491 944296954 /nfs/dbraw/zinc/29/69/54/944296954.db2.gz YYUQRQCGGJWEDS-HNNXBMFYSA-N 1 2 363.417 3.608 20 30 FHEDLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC#Cc2ccc(F)cc2)cn1 ZINC000438101542 944341397 /nfs/dbraw/zinc/34/13/97/944341397.db2.gz TWUGXAXBZCQLIM-NRFANRHFSA-N 1 2 351.400 3.771 20 30 FHEDLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC#Cc2ccc(F)cc2)cn1 ZINC000438101542 944341401 /nfs/dbraw/zinc/34/14/01/944341401.db2.gz TWUGXAXBZCQLIM-NRFANRHFSA-N 1 2 351.400 3.771 20 30 FHEDLO N#CCc1ccc(Oc2ccc(C(=O)NCCNc3cccc[nH+]3)cc2)cc1 ZINC000518444353 944381627 /nfs/dbraw/zinc/38/16/27/944381627.db2.gz WYSPIWZVPNOGIX-UHFFFAOYSA-N 1 2 372.428 3.782 20 30 FHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)cc(OCC)cc1F)C2 ZINC001143574852 944440418 /nfs/dbraw/zinc/44/04/18/944440418.db2.gz KQIPYWIDMCLCPQ-UZLBHIALSA-N 1 2 367.436 3.690 20 30 FHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)cc(OCC)cc1F)C2 ZINC001143574852 944440427 /nfs/dbraw/zinc/44/04/27/944440427.db2.gz KQIPYWIDMCLCPQ-UZLBHIALSA-N 1 2 367.436 3.690 20 30 FHEDLO COc1ccc(CC(N)=[NH+]OCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000193727961 944547820 /nfs/dbraw/zinc/54/78/20/944547820.db2.gz UDIBIOLXMHFODR-UHFFFAOYSA-N 1 2 355.369 3.521 20 30 FHEDLO CC(C)(CO)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccs1 ZINC000518621109 944551197 /nfs/dbraw/zinc/55/11/97/944551197.db2.gz AZFNKMIAHJKGPE-KRWDZBQOSA-N 1 2 368.462 3.519 20 30 FHEDLO C[N@H+](Cc1cscn1)Cc1cccc(NCc2nc(C#N)cs2)c1 ZINC000518622840 944553014 /nfs/dbraw/zinc/55/30/14/944553014.db2.gz KOJJMZXJWLXSDB-UHFFFAOYSA-N 1 2 355.492 3.715 20 30 FHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2nc(C#N)cs2)c1 ZINC000518622840 944553020 /nfs/dbraw/zinc/55/30/20/944553020.db2.gz KOJJMZXJWLXSDB-UHFFFAOYSA-N 1 2 355.492 3.715 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 ZINC000439430462 944606178 /nfs/dbraw/zinc/60/61/78/944606178.db2.gz IWESELYIXUTVAF-UHFFFAOYSA-N 1 2 371.843 3.699 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 ZINC000439430462 944606188 /nfs/dbraw/zinc/60/61/88/944606188.db2.gz IWESELYIXUTVAF-UHFFFAOYSA-N 1 2 371.843 3.699 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1C#N ZINC000613746082 944844797 /nfs/dbraw/zinc/84/47/97/944844797.db2.gz UVERMIZOFGIGQT-QHCPKHFHSA-N 1 2 370.456 3.684 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1C#N ZINC000613746082 944844804 /nfs/dbraw/zinc/84/48/04/944844804.db2.gz UVERMIZOFGIGQT-QHCPKHFHSA-N 1 2 370.456 3.684 20 30 FHEDLO Clc1cccc(C#CC[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000438706219 944949687 /nfs/dbraw/zinc/94/96/87/944949687.db2.gz PDMZFUWOJBRBFH-UHFFFAOYSA-N 1 2 368.893 3.518 20 30 FHEDLO FC(F)(F)CN1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000427001295 945003536 /nfs/dbraw/zinc/00/35/36/945003536.db2.gz ISRYWNXMSBWSAT-UHFFFAOYSA-N 1 2 364.333 3.627 20 30 FHEDLO FC(F)(F)CN1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000427001295 945003545 /nfs/dbraw/zinc/00/35/45/945003545.db2.gz ISRYWNXMSBWSAT-UHFFFAOYSA-N 1 2 364.333 3.627 20 30 FHEDLO Cc1cc(C)cc(C2=CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330192007 945396782 /nfs/dbraw/zinc/39/67/82/945396782.db2.gz NKXCTTAWZADCNH-IBGZPJMESA-N 1 2 350.466 3.518 20 30 FHEDLO CC[C@H]1COCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330263044 945431613 /nfs/dbraw/zinc/43/16/13/945431613.db2.gz WAOGRVUVXWOBBX-KRWDZBQOSA-N 1 2 354.454 3.543 20 30 FHEDLO CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1cn2c([nH+]1)CCCC2 ZINC000330263503 945433064 /nfs/dbraw/zinc/43/30/64/945433064.db2.gz WPBLFDRDVQLXFJ-IBGZPJMESA-N 1 2 352.482 3.685 20 30 FHEDLO COc1ccc([C@@H]2CCCCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330283392 945445334 /nfs/dbraw/zinc/44/53/34/945445334.db2.gz WCTQMULDHJRNFM-MJGOQNOKSA-N 1 2 368.481 3.738 20 30 FHEDLO COc1ccc([C@@H]2CCCCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330283391 945445514 /nfs/dbraw/zinc/44/55/14/945445514.db2.gz WCTQMULDHJRNFM-HKUYNNGSSA-N 1 2 368.481 3.738 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@]2(C)CCc3ccccc3C2)CCO1 ZINC000330333039 945601492 /nfs/dbraw/zinc/60/14/92/945601492.db2.gz PMBGHCOLPCDSDF-SLYNCCJLSA-N 1 2 353.466 3.792 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660970105 945608109 /nfs/dbraw/zinc/60/81/09/945608109.db2.gz XXVUSZGFGIYSSB-OHQAAIJDSA-N 1 2 361.436 3.603 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660970105 945608114 /nfs/dbraw/zinc/60/81/14/945608114.db2.gz XXVUSZGFGIYSSB-OHQAAIJDSA-N 1 2 361.436 3.603 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1sccc1C(=O)OCC)Cc1ccccc1 ZINC000027777018 945787852 /nfs/dbraw/zinc/78/78/52/945787852.db2.gz FBTQOPRDSRPQMD-UHFFFAOYSA-N 1 2 358.463 3.552 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1sccc1C(=O)OCC)Cc1ccccc1 ZINC000027777018 945787855 /nfs/dbraw/zinc/78/78/55/945787855.db2.gz FBTQOPRDSRPQMD-UHFFFAOYSA-N 1 2 358.463 3.552 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H](C)COC ZINC000661245882 945901646 /nfs/dbraw/zinc/90/16/46/945901646.db2.gz DKSRNPJNCZUESI-LBPRGKRZSA-N 1 2 355.360 3.778 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H](C)COC ZINC000661245882 945901653 /nfs/dbraw/zinc/90/16/53/945901653.db2.gz DKSRNPJNCZUESI-LBPRGKRZSA-N 1 2 355.360 3.778 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000661249341 945905160 /nfs/dbraw/zinc/90/51/60/945905160.db2.gz YZFVZTUUOMWPSU-GASCZTMLSA-N 1 2 356.857 3.918 20 30 FHEDLO N#CCCCCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000594332983 946044675 /nfs/dbraw/zinc/04/46/75/946044675.db2.gz HFJGGUKKMPCBLZ-UHFFFAOYSA-N 1 2 368.308 3.764 20 30 FHEDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(OCCC(C)C)c1 ZINC000125451366 946063763 /nfs/dbraw/zinc/06/37/63/946063763.db2.gz NRASTFBCNYMITO-NRFANRHFSA-N 1 2 365.477 3.608 20 30 FHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000520172878 946225518 /nfs/dbraw/zinc/22/55/18/946225518.db2.gz LVPLKEWENFCCMN-IBGZPJMESA-N 1 2 353.853 3.665 20 30 FHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000520172878 946225527 /nfs/dbraw/zinc/22/55/27/946225527.db2.gz LVPLKEWENFCCMN-IBGZPJMESA-N 1 2 353.853 3.665 20 30 FHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2ccc3c(c2)CCO3)[nH+]1 ZINC001167781999 946457186 /nfs/dbraw/zinc/45/71/86/946457186.db2.gz RIGLXLPTRWCMQS-WAPOMMKJSA-N 1 2 371.506 3.818 20 30 FHEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000093478036 946636849 /nfs/dbraw/zinc/63/68/49/946636849.db2.gz AFJAFOFXVXWORX-HXUWFJFHSA-N 1 2 366.513 3.621 20 30 FHEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000093478036 946636853 /nfs/dbraw/zinc/63/68/53/946636853.db2.gz AFJAFOFXVXWORX-HXUWFJFHSA-N 1 2 366.513 3.621 20 30 FHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000475352052 946929797 /nfs/dbraw/zinc/92/97/97/946929797.db2.gz HIUPOCFIYOEJFE-NUALSEBGSA-N 1 2 352.869 3.631 20 30 FHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475383931 946994192 /nfs/dbraw/zinc/99/41/92/946994192.db2.gz PEMJMXWKGQWUNC-UHFFFAOYSA-N 1 2 361.449 3.574 20 30 FHEDLO CC[C@@H]1CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000328748917 947007853 /nfs/dbraw/zinc/00/78/53/947007853.db2.gz BJRXCHVEGRLFMK-CRAIPNDOSA-N 1 2 360.502 3.506 20 30 FHEDLO CC[C@@H]1CCCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000328748917 947007868 /nfs/dbraw/zinc/00/78/68/947007868.db2.gz BJRXCHVEGRLFMK-CRAIPNDOSA-N 1 2 360.502 3.506 20 30 FHEDLO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328776881 947023483 /nfs/dbraw/zinc/02/34/83/947023483.db2.gz CTWKVQSLWQLKAU-QWQRMKEZSA-N 1 2 356.445 3.586 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCCO[C@@H](C)C1 ZINC000328812985 947032716 /nfs/dbraw/zinc/03/27/16/947032716.db2.gz FULKKTMAQXIREE-UONOGXRCSA-N 1 2 361.511 3.976 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCCO[C@@H](C)C1 ZINC000328812985 947032728 /nfs/dbraw/zinc/03/27/28/947032728.db2.gz FULKKTMAQXIREE-UONOGXRCSA-N 1 2 361.511 3.976 20 30 FHEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328789201 947046694 /nfs/dbraw/zinc/04/66/94/947046694.db2.gz PVFJMUVPTUBTGO-HOCLYGCPSA-N 1 2 356.470 3.739 20 30 FHEDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2c(c1)CCCC2 ZINC000328843983 947062565 /nfs/dbraw/zinc/06/25/65/947062565.db2.gz VAGAKOQWFLZJPT-NIKGAXFTSA-N 1 2 355.482 3.634 20 30 FHEDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2c(c1)CCCC2 ZINC000328843983 947062578 /nfs/dbraw/zinc/06/25/78/947062578.db2.gz VAGAKOQWFLZJPT-NIKGAXFTSA-N 1 2 355.482 3.634 20 30 FHEDLO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328863131 947071534 /nfs/dbraw/zinc/07/15/34/947071534.db2.gz FWAPHZCGXXHAOG-GBESFXJTSA-N 1 2 368.481 3.671 20 30 FHEDLO N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428374255 947093916 /nfs/dbraw/zinc/09/39/16/947093916.db2.gz NUJFHTGMNRRIJG-KRWDZBQOSA-N 1 2 374.469 3.651 20 30 FHEDLO C[C@@H]1C[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H](C)S1=O ZINC000444688633 947113565 /nfs/dbraw/zinc/11/35/65/947113565.db2.gz COFQGZBZYOJWFL-RTBURBONSA-N 1 2 366.530 3.728 20 30 FHEDLO C[C@H]1C[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C)S1=O ZINC000444688632 947114066 /nfs/dbraw/zinc/11/40/66/947114066.db2.gz COFQGZBZYOJWFL-OALUTQOASA-N 1 2 366.530 3.728 20 30 FHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000245638931 947219038 /nfs/dbraw/zinc/21/90/38/947219038.db2.gz HEOVJPFADIOIJW-UKRRQHHQSA-N 1 2 350.532 3.576 20 30 FHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000245638931 947219048 /nfs/dbraw/zinc/21/90/48/947219048.db2.gz HEOVJPFADIOIJW-UKRRQHHQSA-N 1 2 350.532 3.576 20 30 FHEDLO C=C[C@@](C)(CCOC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003397 947236951 /nfs/dbraw/zinc/23/69/51/947236951.db2.gz ZWDJZRJHHUUXLG-MDKPJZGXSA-N 1 2 371.481 3.512 20 30 FHEDLO C=C[C@@](C)(CCOC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003397 947236966 /nfs/dbraw/zinc/23/69/66/947236966.db2.gz ZWDJZRJHHUUXLG-MDKPJZGXSA-N 1 2 371.481 3.512 20 30 FHEDLO N#Cc1cnc2c(Br)cccc2c1NCCCn1cc[nH+]c1 ZINC000440642856 947459014 /nfs/dbraw/zinc/45/90/14/947459014.db2.gz QZWPGHKPOMEYGI-UHFFFAOYSA-N 1 2 356.227 3.568 20 30 FHEDLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507791070 948496877 /nfs/dbraw/zinc/49/68/77/948496877.db2.gz YWIFRYMRNBACPP-UHFFFAOYSA-N 1 2 363.461 3.657 20 30 FHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024663462 567890651 /nfs/dbraw/zinc/89/06/51/567890651.db2.gz NMLTXKBUWCWENI-AWEZNQCLSA-N 1 2 366.446 3.579 20 30 FHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024663462 567890653 /nfs/dbraw/zinc/89/06/53/567890653.db2.gz NMLTXKBUWCWENI-AWEZNQCLSA-N 1 2 366.446 3.579 20 30 FHEDLO N#CCC[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000602130957 567940487 /nfs/dbraw/zinc/94/04/87/567940487.db2.gz ZHYFTZUHJIKBER-GJZGRUSLSA-N 1 2 350.344 3.538 20 30 FHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CCCC[C@H]1CO ZINC000330265946 568004972 /nfs/dbraw/zinc/00/49/72/568004972.db2.gz ZYJSTQFPYNSMBN-LPHOPBHVSA-N 1 2 368.481 3.573 20 30 FHEDLO C=C(C)COc1cccc(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000067320908 568076866 /nfs/dbraw/zinc/07/68/66/568076866.db2.gz QSNLYCQILLCGCI-UHFFFAOYSA-N 1 2 350.422 3.919 20 30 FHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000481653289 568082288 /nfs/dbraw/zinc/08/22/88/568082288.db2.gz FZYLZMAWCMSZEY-UHFFFAOYSA-N 1 2 365.481 3.623 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(F)cc1F ZINC000603441964 568101638 /nfs/dbraw/zinc/10/16/38/568101638.db2.gz GAGRZRVZQFKAJL-HNNXBMFYSA-N 1 2 357.404 3.732 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000603441964 568101639 /nfs/dbraw/zinc/10/16/39/568101639.db2.gz GAGRZRVZQFKAJL-HNNXBMFYSA-N 1 2 357.404 3.732 20 30 FHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000568690313 568123425 /nfs/dbraw/zinc/12/34/25/568123425.db2.gz BFTQOFRYXILKJE-UHFFFAOYSA-N 1 2 351.397 3.961 20 30 FHEDLO C[C@@H]1CN(c2ccc(CNc3cccc(C(F)F)c3C#N)c[nH+]2)CCO1 ZINC000568700455 568129093 /nfs/dbraw/zinc/12/90/93/568129093.db2.gz CAAHJCNAUIEOME-CYBMUJFWSA-N 1 2 358.392 3.728 20 30 FHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128709008 568193713 /nfs/dbraw/zinc/19/37/13/568193713.db2.gz BSJHKYLCZGHGRP-HOCLYGCPSA-N 1 2 369.852 3.692 20 30 FHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128709008 568193714 /nfs/dbraw/zinc/19/37/14/568193714.db2.gz BSJHKYLCZGHGRP-HOCLYGCPSA-N 1 2 369.852 3.692 20 30 FHEDLO C=CCn1c(SCCc2[nH+]cc(C)cc2C)nnc1-c1cccnc1 ZINC000563113461 568206548 /nfs/dbraw/zinc/20/65/48/568206548.db2.gz RJBNHRHTEPODTO-UHFFFAOYSA-N 1 2 351.479 3.873 20 30 FHEDLO C=CCOc1ccc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000604340646 568262125 /nfs/dbraw/zinc/26/21/25/568262125.db2.gz ZIEJCZCNDCRNRY-GOSISDBHSA-N 1 2 360.404 3.562 20 30 FHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000569000544 568266087 /nfs/dbraw/zinc/26/60/87/568266087.db2.gz LHGXYRCTIQAVJE-DOMZBBRYSA-N 1 2 364.371 3.547 20 30 FHEDLO CC[N@H+](CCC(F)(F)F)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000604525387 568307958 /nfs/dbraw/zinc/30/79/58/568307958.db2.gz XFJOJOJXQWKSNU-UHFFFAOYSA-N 1 2 355.404 3.824 20 30 FHEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000604525387 568307959 /nfs/dbraw/zinc/30/79/59/568307959.db2.gz XFJOJOJXQWKSNU-UHFFFAOYSA-N 1 2 355.404 3.824 20 30 FHEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000609485339 568343804 /nfs/dbraw/zinc/34/38/04/568343804.db2.gz NRANCJPTFRTOFB-INIZCTEOSA-N 1 2 356.297 3.538 20 30 FHEDLO C=CCOc1ccccc1C[NH2+][C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000604773404 568363727 /nfs/dbraw/zinc/36/37/27/568363727.db2.gz HJZWDYMILJMEBW-OAQYLSRUSA-N 1 2 352.478 3.951 20 30 FHEDLO COc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1C#N ZINC000182042377 568579860 /nfs/dbraw/zinc/57/98/60/568579860.db2.gz IGBNPSLKUNCZJR-UHFFFAOYSA-N 1 2 372.472 3.564 20 30 FHEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000330286120 571327954 /nfs/dbraw/zinc/32/79/54/571327954.db2.gz AGFKBMFTBQDCPB-GOSISDBHSA-N 1 2 353.470 3.950 20 30 FHEDLO CN(Cc1ccc(C#N)cc1)c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001165017475 721836815 /nfs/dbraw/zinc/83/68/15/721836815.db2.gz MVTPEERKHRTLTI-UHFFFAOYSA-N 1 2 369.472 3.543 20 30 FHEDLO CN(Cc1ccc(C#N)cc1)c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001165017475 721836816 /nfs/dbraw/zinc/83/68/16/721836816.db2.gz MVTPEERKHRTLTI-UHFFFAOYSA-N 1 2 369.472 3.543 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1C ZINC000507239321 945066694 /nfs/dbraw/zinc/06/66/94/945066694.db2.gz ZDCSDPUVFAUJGB-QFIPXVFZSA-N 1 2 352.478 3.719 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1C ZINC000507239321 945066704 /nfs/dbraw/zinc/06/67/04/945066704.db2.gz ZDCSDPUVFAUJGB-QFIPXVFZSA-N 1 2 352.478 3.719 20 30 FHEDLO NC(=[NH+]OCc1ccc(Cl)cn1)c1ccc(OCc2cccnc2)cc1 ZINC000120204151 927701048 /nfs/dbraw/zinc/70/10/48/927701048.db2.gz QXTZKYXXKFNPOU-UHFFFAOYSA-N 1 2 368.824 3.546 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126880703 928174514 /nfs/dbraw/zinc/17/45/14/928174514.db2.gz NTQQKXJZTNLENI-YCRPNKLZSA-N 1 2 370.424 3.547 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126880703 928174526 /nfs/dbraw/zinc/17/45/26/928174526.db2.gz NTQQKXJZTNLENI-YCRPNKLZSA-N 1 2 370.424 3.547 20 30 FHEDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000175761472 928352450 /nfs/dbraw/zinc/35/24/50/928352450.db2.gz ACQJEMDZWLMXCR-CYBMUJFWSA-N 1 2 362.345 3.570 20 30 FHEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2nc3ccccc3c(=O)n2CC)cc1 ZINC000748076408 928398868 /nfs/dbraw/zinc/39/88/68/928398868.db2.gz QBSGQSVYKXEMDI-UHFFFAOYSA-N 1 2 363.465 3.709 20 30 FHEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc(OC)c1O ZINC000179427049 928750085 /nfs/dbraw/zinc/75/00/85/928750085.db2.gz XAHBAIVRIFVLSY-HXUWFJFHSA-N 1 2 357.425 3.842 20 30 FHEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc(OC)c1O ZINC000179427049 928750090 /nfs/dbraw/zinc/75/00/90/928750090.db2.gz XAHBAIVRIFVLSY-HXUWFJFHSA-N 1 2 357.425 3.842 20 30 FHEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000133770139 929469746 /nfs/dbraw/zinc/46/97/46/929469746.db2.gz LJLNLULXDPWNRO-CQSZACIVSA-N 1 2 368.799 3.952 20 30 FHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000610323891 929943822 /nfs/dbraw/zinc/94/38/22/929943822.db2.gz WWBDBXQQOYVOBY-GOSISDBHSA-N 1 2 363.396 3.536 20 30 FHEDLO C[C@@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610355250 930102627 /nfs/dbraw/zinc/10/26/27/930102627.db2.gz LZIZTPLSQXPHGN-FUKWUPMWSA-N 1 2 374.488 3.660 20 30 FHEDLO CC1(C)C[N@@H+]([C@H](CNc2cc(C#N)ccn2)c2ccc(Cl)cc2)CCO1 ZINC000580303711 930454544 /nfs/dbraw/zinc/45/45/44/930454544.db2.gz MXOCUDFYYKDXAY-GOSISDBHSA-N 1 2 370.884 3.871 20 30 FHEDLO CC1(C)C[N@H+]([C@H](CNc2cc(C#N)ccn2)c2ccc(Cl)cc2)CCO1 ZINC000580303711 930454546 /nfs/dbraw/zinc/45/45/46/930454546.db2.gz MXOCUDFYYKDXAY-GOSISDBHSA-N 1 2 370.884 3.871 20 30 FHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)c1C#N ZINC000548098247 930704999 /nfs/dbraw/zinc/70/49/99/930704999.db2.gz ICRYBTFKVJCYQI-ZIAGYGMSSA-N 1 2 368.456 3.585 20 30 FHEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000580868390 931282924 /nfs/dbraw/zinc/28/29/24/931282924.db2.gz NYTPPSDTNWRBFX-HXUWFJFHSA-N 1 2 373.460 3.813 20 30 FHEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000328782977 932049364 /nfs/dbraw/zinc/04/93/64/932049364.db2.gz NIDJUWICNORFKN-UWAICQJNSA-N 1 2 356.514 3.728 20 30 FHEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(OC)c1 ZINC000510748033 933639237 /nfs/dbraw/zinc/63/92/37/933639237.db2.gz DXJIQWWZCNLJQZ-HXUWFJFHSA-N 1 2 372.852 3.788 20 30 FHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]32)c1C#N ZINC000610762602 934119198 /nfs/dbraw/zinc/11/91/98/934119198.db2.gz BGAVOMDOXVYTAY-QFBILLFUSA-N 1 2 354.498 3.905 20 30 FHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]32)c1C#N ZINC000610762602 934119201 /nfs/dbraw/zinc/11/92/01/934119201.db2.gz BGAVOMDOXVYTAY-QFBILLFUSA-N 1 2 354.498 3.905 20 30 FHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)cc1 ZINC000535781795 934372421 /nfs/dbraw/zinc/37/24/21/934372421.db2.gz QZHUBLBZQDFCPH-UHFFFAOYSA-N 1 2 374.513 4.000 20 30 FHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000246975997 935215370 /nfs/dbraw/zinc/21/53/70/935215370.db2.gz QDFRQQZPSOXKRK-GJZGRUSLSA-N 1 2 358.511 3.963 20 30 FHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000246975997 935215376 /nfs/dbraw/zinc/21/53/76/935215376.db2.gz QDFRQQZPSOXKRK-GJZGRUSLSA-N 1 2 358.511 3.963 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)ccc1Cl ZINC000582091522 935241135 /nfs/dbraw/zinc/24/11/35/935241135.db2.gz WQAPWVBPZIQIQM-AWEZNQCLSA-N 1 2 369.843 3.872 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)ccc1Cl ZINC000582091522 935241141 /nfs/dbraw/zinc/24/11/41/935241141.db2.gz WQAPWVBPZIQIQM-AWEZNQCLSA-N 1 2 369.843 3.872 20 30 FHEDLO COc1ccc([C@H](CNc2ccc(C#N)c(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000072097129 935298979 /nfs/dbraw/zinc/29/89/79/935298979.db2.gz JRIUGHHBKYGNBW-FQEVSTJZSA-N 1 2 371.868 3.706 20 30 FHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000582189003 935387731 /nfs/dbraw/zinc/38/77/31/935387731.db2.gz COGSPCVYZZYUQC-UYAOXDASSA-N 1 2 355.869 3.827 20 30 FHEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000127481904 935575816 /nfs/dbraw/zinc/57/58/16/935575816.db2.gz PWXJFWPIWWIOMR-QFIPXVFZSA-N 1 2 371.419 3.961 20 30 FHEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000127481904 935575822 /nfs/dbraw/zinc/57/58/22/935575822.db2.gz PWXJFWPIWWIOMR-QFIPXVFZSA-N 1 2 371.419 3.961 20 30 FHEDLO CCCOc1cccc2c(N3CCN(c4cc(C#N)ccn4)CC3)cc[nH+]c12 ZINC000478239733 935596184 /nfs/dbraw/zinc/59/61/84/935596184.db2.gz RRXRJLMXHZLGPS-UHFFFAOYSA-N 1 2 373.460 3.617 20 30 FHEDLO N#Cc1c(Br)cccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000439952712 945120598 /nfs/dbraw/zinc/12/05/98/945120598.db2.gz DRDNELWXADICGS-UHFFFAOYSA-N 1 2 357.255 3.797 20 30 FHEDLO CC(C)Oc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000187755366 935844950 /nfs/dbraw/zinc/84/49/50/935844950.db2.gz SOHJMPCWISCOQB-UHFFFAOYSA-N 1 2 370.884 3.716 20 30 FHEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000582580761 935850003 /nfs/dbraw/zinc/85/00/03/935850003.db2.gz SVJWQYAUUJQGJM-WFASDCNBSA-N 1 2 365.264 3.522 20 30 FHEDLO C=CCCn1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2)nn1 ZINC000657492945 935871199 /nfs/dbraw/zinc/87/11/99/935871199.db2.gz QMRKXQYCZWLFEW-UHFFFAOYSA-N 1 2 355.667 3.560 20 30 FHEDLO C=CCC(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245691533 938310191 /nfs/dbraw/zinc/31/01/91/938310191.db2.gz AJOHETIPKWOVAW-OALUTQOASA-N 1 2 362.901 3.596 20 30 FHEDLO C=CCC(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245691533 938310192 /nfs/dbraw/zinc/31/01/92/938310192.db2.gz AJOHETIPKWOVAW-OALUTQOASA-N 1 2 362.901 3.596 20 30 FHEDLO COc1cc(C[NH2+][C@H](C)c2ncc(Br)s2)ccc1C#N ZINC000583864367 938456492 /nfs/dbraw/zinc/45/64/92/938456492.db2.gz HYUWOWQMMPLWSP-SECBINFHSA-N 1 2 352.257 3.637 20 30 FHEDLO N#C[C@H]1CC[C@H](Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)C1 ZINC000278497402 938479420 /nfs/dbraw/zinc/47/94/20/938479420.db2.gz CHGOURYNUZGQSZ-RDJZCZTQSA-N 1 2 353.495 3.647 20 30 FHEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000128163832 938788912 /nfs/dbraw/zinc/78/89/12/938788912.db2.gz APBHMSNJVFHBSS-AWEZNQCLSA-N 1 2 360.483 3.656 20 30 FHEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000128163832 938788914 /nfs/dbraw/zinc/78/89/14/938788914.db2.gz APBHMSNJVFHBSS-AWEZNQCLSA-N 1 2 360.483 3.656 20 30 FHEDLO C=C(C)C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(CO)o1 ZINC000685442323 938986782 /nfs/dbraw/zinc/98/67/82/938986782.db2.gz ATTDSIQXCPBSSB-UHFFFAOYSA-N 1 2 355.413 3.675 20 30 FHEDLO C=C(C)C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(CO)o1 ZINC000685442323 938986783 /nfs/dbraw/zinc/98/67/83/938986783.db2.gz ATTDSIQXCPBSSB-UHFFFAOYSA-N 1 2 355.413 3.675 20 30 FHEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000612121534 939104542 /nfs/dbraw/zinc/10/45/42/939104542.db2.gz BWDOEUNVCUQIOL-IBGZPJMESA-N 1 2 359.395 3.529 20 30 FHEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000506026916 945246699 /nfs/dbraw/zinc/24/66/99/945246699.db2.gz IVMVYQCCTUMMET-UHFFFAOYSA-N 1 2 363.461 3.830 20 30 FHEDLO CC1CC[NH+](Cc2csc(NC(=O)Cc3c(F)cccc3C#N)n2)CC1 ZINC000507464515 945253551 /nfs/dbraw/zinc/25/35/51/945253551.db2.gz NMCAUIGEVWKCSR-UHFFFAOYSA-N 1 2 372.469 3.567 20 30 FHEDLO C=CC[N@H+](Cc1ncc(C(C)(C)C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255518 945257403 /nfs/dbraw/zinc/25/74/03/945257403.db2.gz OFQCIXRNDNXUAP-HNNXBMFYSA-N 1 2 366.469 3.697 20 30 FHEDLO C=CC[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255518 945257408 /nfs/dbraw/zinc/25/74/08/945257408.db2.gz OFQCIXRNDNXUAP-HNNXBMFYSA-N 1 2 366.469 3.697 20 30 FHEDLO C=CCC[C@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccco1 ZINC000375837806 939955223 /nfs/dbraw/zinc/95/52/23/939955223.db2.gz HPCFCXBBRVUICI-STQMWFEESA-N 1 2 354.376 3.793 20 30 FHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000413837027 940175262 /nfs/dbraw/zinc/17/52/62/940175262.db2.gz QDUNHVCOGCRBPG-WOJBJXKFSA-N 1 2 366.509 3.572 20 30 FHEDLO CC[C@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)c1cccc(C#N)c1O ZINC000924572850 940610818 /nfs/dbraw/zinc/61/08/18/940610818.db2.gz FXUQTFLZHUWUGG-INIZCTEOSA-N 1 2 356.422 3.531 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C[C@]2(CCOC2)O1 ZINC000330084699 945349031 /nfs/dbraw/zinc/34/90/31/945349031.db2.gz CIVCTZHEWRINRC-FCEUIQTBSA-N 1 2 372.509 3.673 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C[C@]2(CCOC2)O1 ZINC000330084699 945349043 /nfs/dbraw/zinc/34/90/43/945349043.db2.gz CIVCTZHEWRINRC-FCEUIQTBSA-N 1 2 372.509 3.673 20 30 FHEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180223273 940848027 /nfs/dbraw/zinc/84/80/27/940848027.db2.gz LXIORZHLVHMCER-IBGZPJMESA-N 1 2 364.474 3.594 20 30 FHEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180223273 940848028 /nfs/dbraw/zinc/84/80/28/940848028.db2.gz LXIORZHLVHMCER-IBGZPJMESA-N 1 2 364.474 3.594 20 30 FHEDLO N#CCSc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000175660479 940904946 /nfs/dbraw/zinc/90/49/46/940904946.db2.gz KSUORKMPGIXLHY-UHFFFAOYSA-N 1 2 352.394 3.879 20 30 FHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC001143486087 941496533 /nfs/dbraw/zinc/49/65/33/941496533.db2.gz WQENXTXIZRBELU-AWEZNQCLSA-N 1 2 372.387 3.591 20 30 FHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC001143486087 941496537 /nfs/dbraw/zinc/49/65/37/941496537.db2.gz WQENXTXIZRBELU-AWEZNQCLSA-N 1 2 372.387 3.591 20 30 FHEDLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541133241 941672393 /nfs/dbraw/zinc/67/23/93/941672393.db2.gz WGJYZVPXHDCZBK-IERDGZPVSA-N 1 2 370.456 3.862 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614681 941844940 /nfs/dbraw/zinc/84/49/40/941844940.db2.gz JPLVINXYZSBIBK-QZTJIDSGSA-N 1 2 352.434 3.681 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614681 941844942 /nfs/dbraw/zinc/84/49/42/941844942.db2.gz JPLVINXYZSBIBK-QZTJIDSGSA-N 1 2 352.434 3.681 20 30 FHEDLO N#CCCC[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000458807582 942005846 /nfs/dbraw/zinc/00/58/46/942005846.db2.gz XQBPLXGEMRQFLV-VQTJNVASSA-N 1 2 364.449 3.679 20 30 FHEDLO N#Cc1ccc(CSc2ccccc2C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000365729453 942074733 /nfs/dbraw/zinc/07/47/33/942074733.db2.gz MMZYYFAFLWESBP-UHFFFAOYSA-N 1 2 374.469 3.703 20 30 FHEDLO COc1cccc(C=C2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000472926018 942130825 /nfs/dbraw/zinc/13/08/25/942130825.db2.gz JMLSBJBIUOFHII-VGOFRKELSA-N 1 2 369.509 3.617 20 30 FHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420939896 942265282 /nfs/dbraw/zinc/26/52/82/942265282.db2.gz CIUKHFIOXZPJJB-YPMHNXCESA-N 1 2 357.376 3.760 20 30 FHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420939896 942265286 /nfs/dbraw/zinc/26/52/86/942265286.db2.gz CIUKHFIOXZPJJB-YPMHNXCESA-N 1 2 357.376 3.760 20 30 FHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420947961 942270851 /nfs/dbraw/zinc/27/08/51/942270851.db2.gz NLZTUJJODURQPD-LBPRGKRZSA-N 1 2 359.417 3.840 20 30 FHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420947961 942270854 /nfs/dbraw/zinc/27/08/54/942270854.db2.gz NLZTUJJODURQPD-LBPRGKRZSA-N 1 2 359.417 3.840 20 30 FHEDLO C=C(C)[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000187997839 942303339 /nfs/dbraw/zinc/30/33/39/942303339.db2.gz PJPKYBXEYDKNSW-SFHVURJKSA-N 1 2 360.408 3.778 20 30 FHEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000501207970 942352653 /nfs/dbraw/zinc/35/26/53/942352653.db2.gz WCUVKIBBMJSZPR-OAQYLSRUSA-N 1 2 364.424 3.661 20 30 FHEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000501207970 942352661 /nfs/dbraw/zinc/35/26/61/942352661.db2.gz WCUVKIBBMJSZPR-OAQYLSRUSA-N 1 2 364.424 3.661 20 30 FHEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000505290843 942449904 /nfs/dbraw/zinc/44/99/04/942449904.db2.gz SHRKMVVBZBBTQU-OAQYLSRUSA-N 1 2 365.525 3.637 20 30 FHEDLO CCOc1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502501827 942480664 /nfs/dbraw/zinc/48/06/64/942480664.db2.gz UQEWMYZMGMRWDF-UHFFFAOYSA-N 1 2 361.445 3.685 20 30 FHEDLO CCOc1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502501827 942480668 /nfs/dbraw/zinc/48/06/68/942480668.db2.gz UQEWMYZMGMRWDF-UHFFFAOYSA-N 1 2 361.445 3.685 20 30 FHEDLO Cn1c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nnc1-c1ccccc1 ZINC000502495793 942490345 /nfs/dbraw/zinc/49/03/45/942490345.db2.gz PUFCWLAOEDLPEI-UHFFFAOYSA-N 1 2 355.445 3.643 20 30 FHEDLO Cn1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nnc1-c1ccccc1 ZINC000502495793 942490349 /nfs/dbraw/zinc/49/03/49/942490349.db2.gz PUFCWLAOEDLPEI-UHFFFAOYSA-N 1 2 355.445 3.643 20 30 FHEDLO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)nn1 ZINC000893194335 942539139 /nfs/dbraw/zinc/53/91/39/942539139.db2.gz FXEHAMCAYMABBQ-KRWDZBQOSA-N 1 2 367.453 3.958 20 30 FHEDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000434712693 942875766 /nfs/dbraw/zinc/87/57/66/942875766.db2.gz DFUBGKDZCYMESV-KRWDZBQOSA-N 1 2 353.466 3.972 20 30 FHEDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000434712693 942875768 /nfs/dbraw/zinc/87/57/68/942875768.db2.gz DFUBGKDZCYMESV-KRWDZBQOSA-N 1 2 353.466 3.972 20 30 FHEDLO COc1ccc(CC(N)=[NH+]OCc2sc(C)nc2C(F)(F)F)cc1 ZINC000184197669 942982332 /nfs/dbraw/zinc/98/23/32/942982332.db2.gz FMWLENDMKRBICL-UHFFFAOYSA-N 1 2 359.373 3.510 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCC3CCCCC3)CC2)cc1 ZINC000503259451 943089917 /nfs/dbraw/zinc/08/99/17/943089917.db2.gz WMEONVMHHFRINC-UHFFFAOYSA-N 1 2 368.525 3.746 20 30 FHEDLO CC(C)c1ccc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000513786389 943112095 /nfs/dbraw/zinc/11/20/95/943112095.db2.gz FXOXXERDTWCKRS-UHFFFAOYSA-N 1 2 356.491 3.587 20 30 FHEDLO CC(C)c1ccc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000513786389 943112102 /nfs/dbraw/zinc/11/21/02/943112102.db2.gz FXOXXERDTWCKRS-UHFFFAOYSA-N 1 2 356.491 3.587 20 30 FHEDLO CC1(C#N)CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000272558380 943176323 /nfs/dbraw/zinc/17/63/23/943176323.db2.gz SQYHDCMSGDRAPK-UHFFFAOYSA-N 1 2 359.271 3.965 20 30 FHEDLO N#Cc1ccc(C2(c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)CC2)cc1 ZINC000584745909 943522641 /nfs/dbraw/zinc/52/26/41/943522641.db2.gz VMFWBIWHLCYSDX-UHFFFAOYSA-N 1 2 353.385 3.874 20 30 FHEDLO CC1(C#N)CC[NH+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000506048106 943804106 /nfs/dbraw/zinc/80/41/06/943804106.db2.gz UYMXBZJUVZWWNT-UHFFFAOYSA-N 1 2 371.868 3.842 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000506088389 943991454 /nfs/dbraw/zinc/99/14/54/943991454.db2.gz XPPXEPCWXLXNNO-UHFFFAOYSA-N 1 2 374.513 4.000 20 30 FHEDLO N#Cc1ccccc1OCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436172980 944086521 /nfs/dbraw/zinc/08/65/21/944086521.db2.gz GILIBMISQKWRBA-UHFFFAOYSA-N 1 2 372.428 3.776 20 30 FHEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000644788834 944093837 /nfs/dbraw/zinc/09/38/37/944093837.db2.gz LZLATNJDOXWRGU-UHFFFAOYSA-N 1 2 354.416 3.952 20 30 FHEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424765363 944106121 /nfs/dbraw/zinc/10/61/21/944106121.db2.gz SBBDUHOQLSXBTI-RDJZCZTQSA-N 1 2 354.416 3.958 20 30 FHEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424765363 944106123 /nfs/dbraw/zinc/10/61/23/944106123.db2.gz SBBDUHOQLSXBTI-RDJZCZTQSA-N 1 2 354.416 3.958 20 30 FHEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425530962 944249195 /nfs/dbraw/zinc/24/91/95/944249195.db2.gz GMMBHOSYIBTSBT-HNNXBMFYSA-N 1 2 367.449 3.556 20 30 FHEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425530962 944249204 /nfs/dbraw/zinc/24/92/04/944249204.db2.gz GMMBHOSYIBTSBT-HNNXBMFYSA-N 1 2 367.449 3.556 20 30 FHEDLO Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000894314102 944270896 /nfs/dbraw/zinc/27/08/96/944270896.db2.gz PWCVCBMQAXSCQB-QGZVFWFLSA-N 1 2 363.461 3.821 20 30 FHEDLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000549998557 944370751 /nfs/dbraw/zinc/37/07/51/944370751.db2.gz HFPJSSCPVGRMLB-XJKSGUPXSA-N 1 2 354.281 3.624 20 30 FHEDLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000549998557 944370758 /nfs/dbraw/zinc/37/07/58/944370758.db2.gz HFPJSSCPVGRMLB-XJKSGUPXSA-N 1 2 354.281 3.624 20 30 FHEDLO N#CCc1ccc(Oc2ccc(C(=O)NCCCCn3cc[nH+]c3)cc2)cc1 ZINC000518457156 944397397 /nfs/dbraw/zinc/39/73/97/944397397.db2.gz MXHXUAKXJFPSRB-UHFFFAOYSA-N 1 2 374.444 3.952 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000550199259 944402075 /nfs/dbraw/zinc/40/20/75/944402075.db2.gz JCSCWIPZRHVOOE-CQSZACIVSA-N 1 2 350.447 3.824 20 30 FHEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1Cl ZINC000439446365 944628595 /nfs/dbraw/zinc/62/85/95/944628595.db2.gz DMUVUYSVIDHPKP-UHFFFAOYSA-N 1 2 358.825 3.589 20 30 FHEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1Cl ZINC000439446365 944628600 /nfs/dbraw/zinc/62/86/00/944628600.db2.gz DMUVUYSVIDHPKP-UHFFFAOYSA-N 1 2 358.825 3.589 20 30 FHEDLO N#Cc1cccnc1N1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000506263150 944718289 /nfs/dbraw/zinc/71/82/89/944718289.db2.gz SRPRKOHGKGTLDY-UHFFFAOYSA-N 1 2 352.825 3.675 20 30 FHEDLO CCOc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc(Cl)c1O ZINC000518118055 945043261 /nfs/dbraw/zinc/04/32/61/945043261.db2.gz OTQPVLYCHRAFIM-UHFFFAOYSA-N 1 2 371.868 3.897 20 30 FHEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Oc4ccccc4)o3)CC2)c1 ZINC000507611237 945373961 /nfs/dbraw/zinc/37/39/61/945373961.db2.gz OFPHJTGQIMTIIA-UHFFFAOYSA-N 1 2 360.417 3.661 20 30 FHEDLO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@]2(CCOC2)O1 ZINC000330160571 945381880 /nfs/dbraw/zinc/38/18/80/945381880.db2.gz SBXPENUJUHSWLB-YHYVQYDKSA-N 1 2 372.509 3.754 20 30 FHEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@]2(CCOC2)O1 ZINC000330160571 945381895 /nfs/dbraw/zinc/38/18/95/945381895.db2.gz SBXPENUJUHSWLB-YHYVQYDKSA-N 1 2 372.509 3.754 20 30 FHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCOC2(CCC2)C1 ZINC000330192652 945397360 /nfs/dbraw/zinc/39/73/60/945397360.db2.gz YAIUYPIAAGCZFE-AWEZNQCLSA-N 1 2 364.515 3.557 20 30 FHEDLO CCC1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCOCC1 ZINC000330239559 945418365 /nfs/dbraw/zinc/41/83/65/945418365.db2.gz DTXQRUXDMGHTNY-UHFFFAOYSA-N 1 2 374.529 3.520 20 30 FHEDLO CC[C@@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCCO1 ZINC000330250233 945425429 /nfs/dbraw/zinc/42/54/29/945425429.db2.gz MWSWBKKXVZPQHB-RTBURBONSA-N 1 2 368.481 3.979 20 30 FHEDLO O=C(NC[C@@H]1CCC(F)(F)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330267137 945433800 /nfs/dbraw/zinc/43/38/00/945433800.db2.gz HYOMBZWOYYAHTF-CQSZACIVSA-N 1 2 366.456 3.748 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCO1 ZINC000330326379 945566016 /nfs/dbraw/zinc/56/60/16/945566016.db2.gz KBIGBTKBYAXMIC-BMGDNIKJSA-N 1 2 360.502 3.503 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCSc3ccccc32)CCO1 ZINC000330327216 945566842 /nfs/dbraw/zinc/56/68/42/945566842.db2.gz KUDJHUZFISZQCO-KMFMINBZSA-N 1 2 357.479 3.876 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccccc1 ZINC000027776999 945788347 /nfs/dbraw/zinc/78/83/47/945788347.db2.gz SHLUPIHBKRDIDC-UHFFFAOYSA-N 1 2 374.868 3.984 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccccc1 ZINC000027776999 945788357 /nfs/dbraw/zinc/78/83/57/945788357.db2.gz SHLUPIHBKRDIDC-UHFFFAOYSA-N 1 2 374.868 3.984 20 30 FHEDLO CC1(C)CN(CC#CC[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825025 945883681 /nfs/dbraw/zinc/88/36/81/945883681.db2.gz ZNYUMDJZACLYTN-VXKWHMMOSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)CN(CC#CC[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825025 945883688 /nfs/dbraw/zinc/88/36/88/945883688.db2.gz ZNYUMDJZACLYTN-VXKWHMMOSA-N 1 2 374.532 3.946 20 30 FHEDLO C=CC[N@H+](Cc1csc(-c2cccc(OC)c2OC)n1)[C@@H](C)COC ZINC000661244975 945899920 /nfs/dbraw/zinc/89/99/20/945899920.db2.gz YGQZKWICKLDBDR-AWEZNQCLSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CC[N@@H+](Cc1csc(-c2cccc(OC)c2OC)n1)[C@@H](C)COC ZINC000661244975 945899933 /nfs/dbraw/zinc/89/99/33/945899933.db2.gz YGQZKWICKLDBDR-AWEZNQCLSA-N 1 2 362.495 3.850 20 30 FHEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000522833237 945956808 /nfs/dbraw/zinc/95/68/08/945956808.db2.gz RJTZRLGGIBRTJQ-MRXNPFEDSA-N 1 2 367.880 3.660 20 30 FHEDLO C=CCCO[C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000519999624 946021018 /nfs/dbraw/zinc/02/10/18/946021018.db2.gz HUCKVIOIPDQLNT-OAHLLOKOSA-N 1 2 371.506 3.621 20 30 FHEDLO C=CCCO[C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000519999624 946021024 /nfs/dbraw/zinc/02/10/24/946021024.db2.gz HUCKVIOIPDQLNT-OAHLLOKOSA-N 1 2 371.506 3.621 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc(OC)cc1 ZINC000054272105 946027093 /nfs/dbraw/zinc/02/70/93/946027093.db2.gz IKJZKWAQWNGBJP-UHFFFAOYSA-N 1 2 374.868 3.984 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc(OC)cc1 ZINC000054272105 946027105 /nfs/dbraw/zinc/02/71/05/946027105.db2.gz IKJZKWAQWNGBJP-UHFFFAOYSA-N 1 2 374.868 3.984 20 30 FHEDLO N#CCCn1cc(C[N@@H+]2CCn3nc(C4CC4)cc3C2)c(-c2ccccc2)n1 ZINC000896939513 946335485 /nfs/dbraw/zinc/33/54/85/946335485.db2.gz IOBVYHJEBWXKDN-UHFFFAOYSA-N 1 2 372.476 3.553 20 30 FHEDLO N#CCCn1cc(C[N@H+]2CCn3nc(C4CC4)cc3C2)c(-c2ccccc2)n1 ZINC000896939513 946335493 /nfs/dbraw/zinc/33/54/93/946335493.db2.gz IOBVYHJEBWXKDN-UHFFFAOYSA-N 1 2 372.476 3.553 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000186507718 946440062 /nfs/dbraw/zinc/44/00/62/946440062.db2.gz RFBRSWFFYHXECB-UHFFFAOYSA-N 1 2 359.901 3.826 20 30 FHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000186192551 946589389 /nfs/dbraw/zinc/58/93/89/946589389.db2.gz UHJRUZJCXCZLGJ-UHFFFAOYSA-N 1 2 361.489 3.534 20 30 FHEDLO C=C(C)C(=O)OCCNc1ccc2c(c1)[nH+]cn2-c1ccccc1OC ZINC001168077663 946842470 /nfs/dbraw/zinc/84/24/70/946842470.db2.gz ZYKKJFKDOVKGLU-UHFFFAOYSA-N 1 2 351.406 3.565 20 30 FHEDLO CC(C)(C)n1cc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000328655853 946967163 /nfs/dbraw/zinc/96/71/63/946967163.db2.gz NEJKRDZSZJMDRU-HNNXBMFYSA-N 1 2 370.501 3.596 20 30 FHEDLO N#Cc1cccc(NCC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000444543601 946985704 /nfs/dbraw/zinc/98/57/04/946985704.db2.gz JOEJNGPFURPWMQ-UHFFFAOYSA-N 1 2 371.444 3.809 20 30 FHEDLO COC[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000328819604 947037255 /nfs/dbraw/zinc/03/72/55/947037255.db2.gz PPEFJNFFKCLKLD-MRXNPFEDSA-N 1 2 366.465 3.506 20 30 FHEDLO N#CC1(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCCC1 ZINC000328785815 947045744 /nfs/dbraw/zinc/04/57/44/947045744.db2.gz OLNRQNJPIWYAPP-INIZCTEOSA-N 1 2 357.458 3.650 20 30 FHEDLO N#CC1(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCCC1 ZINC000328785815 947045753 /nfs/dbraw/zinc/04/57/53/947045753.db2.gz OLNRQNJPIWYAPP-INIZCTEOSA-N 1 2 357.458 3.650 20 30 FHEDLO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000328902433 947074835 /nfs/dbraw/zinc/07/48/35/947074835.db2.gz GPKPKRRQWSSVCG-DYVFJYSZSA-N 1 2 365.437 3.551 20 30 FHEDLO CC(C)(C#N)CCCC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000444676985 947100110 /nfs/dbraw/zinc/10/01/10/947100110.db2.gz OYGYZKXMBFIOFL-MRXNPFEDSA-N 1 2 367.415 3.898 20 30 FHEDLO CC(C)(C#N)CCCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000444676985 947100105 /nfs/dbraw/zinc/10/01/05/947100105.db2.gz OYGYZKXMBFIOFL-MRXNPFEDSA-N 1 2 367.415 3.898 20 30 FHEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)ccc1Br ZINC000330771765 947271694 /nfs/dbraw/zinc/27/16/94/947271694.db2.gz CNRDJWAEAYEDDF-ZDUSSCGKSA-N 1 2 364.287 3.710 20 30 FHEDLO O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330253580 947465138 /nfs/dbraw/zinc/46/51/38/947465138.db2.gz OVTOEEZDGKTRGV-LPHOPBHVSA-N 1 2 368.481 3.763 20 30 FHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000162933466 947941707 /nfs/dbraw/zinc/94/17/07/947941707.db2.gz XSXKNHGJLGYTMH-HNNXBMFYSA-N 1 2 358.511 3.965 20 30 FHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000162933466 947941713 /nfs/dbraw/zinc/94/17/13/947941713.db2.gz XSXKNHGJLGYTMH-HNNXBMFYSA-N 1 2 358.511 3.965 20 30 FHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000507772411 948204363 /nfs/dbraw/zinc/20/43/63/948204363.db2.gz QYLAPOLTAKGQLW-UHFFFAOYSA-N 1 2 369.852 3.694 20 30 FHEDLO CCc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507773847 948235814 /nfs/dbraw/zinc/23/58/14/948235814.db2.gz VMHAMMQPKPAXEJ-UHFFFAOYSA-N 1 2 363.461 3.603 20 30 FHEDLO N#Cc1ccc(OC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000507801090 948620171 /nfs/dbraw/zinc/62/01/71/948620171.db2.gz IERGLOZCDDZJFZ-UHFFFAOYSA-N 1 2 355.369 3.649 20 30 FHEDLO COCC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1ccc(C#N)cc1 ZINC000063754384 567983569 /nfs/dbraw/zinc/98/35/69/567983569.db2.gz MIAPVCPBYFCYJN-UHFFFAOYSA-N 1 2 371.868 3.607 20 30 FHEDLO COCC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1ccc(C#N)cc1 ZINC000063754384 567983570 /nfs/dbraw/zinc/98/35/70/567983570.db2.gz MIAPVCPBYFCYJN-UHFFFAOYSA-N 1 2 371.868 3.607 20 30 FHEDLO C[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000602869953 568008935 /nfs/dbraw/zinc/00/89/35/568008935.db2.gz RDXAQWDBTSVRCW-DYVFJYSZSA-N 1 2 370.840 3.502 20 30 FHEDLO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cs2)cc1 ZINC000602694424 568015891 /nfs/dbraw/zinc/01/58/91/568015891.db2.gz MWHSZHLEEYNJSY-LSDHHAIUSA-N 1 2 370.478 3.618 20 30 FHEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602799066 568036086 /nfs/dbraw/zinc/03/60/86/568036086.db2.gz AJNMWOTWHGRWDD-HXUWFJFHSA-N 1 2 364.493 3.615 20 30 FHEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000602799066 568036088 /nfs/dbraw/zinc/03/60/88/568036088.db2.gz AJNMWOTWHGRWDD-HXUWFJFHSA-N 1 2 364.493 3.615 20 30 FHEDLO C=CCCSCCNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603435343 568100553 /nfs/dbraw/zinc/10/05/53/568100553.db2.gz KCINDUOJYYOBMO-MRXNPFEDSA-N 1 2 362.474 3.589 20 30 FHEDLO C=CC[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000604899158 568387842 /nfs/dbraw/zinc/38/78/42/568387842.db2.gz NINGOJROUOMPDS-CJNGLKHVSA-N 1 2 353.869 3.707 20 30 FHEDLO C=CC[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000604899158 568387843 /nfs/dbraw/zinc/38/78/43/568387843.db2.gz NINGOJROUOMPDS-CJNGLKHVSA-N 1 2 353.869 3.707 20 30 FHEDLO Cc1ccc2ncc(C#N)c(N[C@@H](c3[nH+]ccn3C)c3ccccc3)c2c1 ZINC000569878803 568433143 /nfs/dbraw/zinc/43/31/43/568433143.db2.gz YCFKCNLHUDIPTP-OAQYLSRUSA-N 1 2 353.429 3.772 20 30 FHEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](CC)CN1C(C)=O ZINC000570133356 568453199 /nfs/dbraw/zinc/45/31/99/568453199.db2.gz JRMYTSBCCJNWEU-IRXDYDNUSA-N 1 2 367.415 3.798 20 30 FHEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](CC)CN1C(C)=O ZINC000570133356 568453201 /nfs/dbraw/zinc/45/32/01/568453201.db2.gz JRMYTSBCCJNWEU-IRXDYDNUSA-N 1 2 367.415 3.798 20 30 FHEDLO CCCCn1c(SCc2ccc(C#N)cn2)nnc1[C@H](CC)[NH+](C)C ZINC000570225367 568463374 /nfs/dbraw/zinc/46/33/74/568463374.db2.gz OGHOWEJNBMMTCM-INIZCTEOSA-N 1 2 358.515 3.650 20 30 FHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(CC#N)c3)n2)C1 ZINC000049623918 568527369 /nfs/dbraw/zinc/52/73/69/568527369.db2.gz PXPXZOKLZWEPNZ-AWEZNQCLSA-N 1 2 354.479 3.693 20 30 FHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(CC#N)c3)n2)C1 ZINC000049623918 568527371 /nfs/dbraw/zinc/52/73/71/568527371.db2.gz PXPXZOKLZWEPNZ-AWEZNQCLSA-N 1 2 354.479 3.693 20 30 FHEDLO CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C[C@@H](C)C#N ZINC000049982502 568641921 /nfs/dbraw/zinc/64/19/21/568641921.db2.gz FIEPRVQZLSHNRV-LIRRHRJNSA-N 1 2 359.470 3.574 20 30 FHEDLO CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C[C@@H](C)C#N ZINC000049982502 568641924 /nfs/dbraw/zinc/64/19/24/568641924.db2.gz FIEPRVQZLSHNRV-LIRRHRJNSA-N 1 2 359.470 3.574 20 30 FHEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001165031743 721867962 /nfs/dbraw/zinc/86/79/62/721867962.db2.gz SZTGEIDNFWGYJU-UHFFFAOYSA-N 1 2 373.234 3.790 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300613 927168768 /nfs/dbraw/zinc/16/87/68/927168768.db2.gz GTMKHDNGHNXXRE-UHFFFAOYSA-N 1 2 371.387 3.786 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300613 927168778 /nfs/dbraw/zinc/16/87/78/927168778.db2.gz GTMKHDNGHNXXRE-UHFFFAOYSA-N 1 2 371.387 3.786 20 30 FHEDLO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000014327737 927526572 /nfs/dbraw/zinc/52/65/72/927526572.db2.gz AZDJSFSSJXZQMV-UHFFFAOYSA-N 1 2 352.409 3.801 20 30 FHEDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc(C(=O)OC)c1C#N)CCC2 ZINC000535962433 937241284 /nfs/dbraw/zinc/24/12/84/937241284.db2.gz DFQMMZCHRYGGSH-KRWDZBQOSA-N 1 2 369.490 3.873 20 30 FHEDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc(C(=O)OC)c1C#N)CCC2 ZINC000535962433 937241286 /nfs/dbraw/zinc/24/12/86/937241286.db2.gz DFQMMZCHRYGGSH-KRWDZBQOSA-N 1 2 369.490 3.873 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000535976373 937286314 /nfs/dbraw/zinc/28/63/14/937286314.db2.gz LARQXMCYRHWHLA-HXUWFJFHSA-N 1 2 370.456 3.841 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000187210218 929548474 /nfs/dbraw/zinc/54/84/74/929548474.db2.gz XRGFJANPEGYBKI-UHFFFAOYSA-N 1 2 368.868 3.998 20 30 FHEDLO O=C1/C(=C\c2cccc3nccn32)CSC/C1=C/c1cccc2[nH+]ccn21 ZINC000255123566 929663841 /nfs/dbraw/zinc/66/38/41/929663841.db2.gz LOAXRUKDPHZWCE-NFLUSIDLSA-N 1 2 372.453 3.765 20 30 FHEDLO Cc1cc(C(N)=[NH+]OCc2cccc(C(=O)N3CCCCC3)c2)ccc1F ZINC000121064533 929739023 /nfs/dbraw/zinc/73/90/23/929739023.db2.gz ISLUNMQRTQSMLE-UHFFFAOYSA-N 1 2 369.440 3.597 20 30 FHEDLO N#Cc1csc(C[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)n1 ZINC000578940819 929742578 /nfs/dbraw/zinc/74/25/78/929742578.db2.gz LNXLVTLVSAYTNO-UHFFFAOYSA-N 1 2 366.421 3.696 20 30 FHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(OCc4nccn4C)cc3)n2c1 ZINC000255129855 929779258 /nfs/dbraw/zinc/77/92/58/929779258.db2.gz JNQUVBGTHIYNBH-TWGQIWQCSA-N 1 2 372.428 3.851 20 30 FHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000610318250 929880621 /nfs/dbraw/zinc/88/06/21/929880621.db2.gz XIGZSBGMCQTOLD-IBGZPJMESA-N 1 2 359.433 3.592 20 30 FHEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000610341095 930036675 /nfs/dbraw/zinc/03/66/75/930036675.db2.gz XYADBFVMGUFQEM-HUUCEWRRSA-N 1 2 357.404 3.951 20 30 FHEDLO Cc1cc(Br)cn2c(CN3CCCC(C)(C)[C@H]3C#N)c[nH+]c12 ZINC000580399564 930625714 /nfs/dbraw/zinc/62/57/14/930625714.db2.gz NPJHSMFKIIQLSE-OAHLLOKOSA-N 1 2 361.287 3.919 20 30 FHEDLO Cc1noc(C)c1CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000058499321 931126669 /nfs/dbraw/zinc/12/66/69/931126669.db2.gz GLPMVMLHFWIGQY-UHFFFAOYSA-N 1 2 351.406 3.708 20 30 FHEDLO CCN1CC[NH+]([C@@H](C)CNc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000579856357 931142257 /nfs/dbraw/zinc/14/22/57/931142257.db2.gz WGLITEHBPYEEMM-HNNXBMFYSA-N 1 2 371.916 3.506 20 30 FHEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000580786253 931147412 /nfs/dbraw/zinc/14/74/12/931147412.db2.gz OCQYKUSCOAKQAE-STQMWFEESA-N 1 2 363.377 3.928 20 30 FHEDLO N#CCc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000580936348 931372648 /nfs/dbraw/zinc/37/26/48/931372648.db2.gz RZYSMWZDLDMKQK-UHFFFAOYSA-N 1 2 363.465 3.697 20 30 FHEDLO COc1cc(OC)c2ncc(C#N)c(NCCCc3cccc(C)[nH+]3)c2c1 ZINC000581197696 931649932 /nfs/dbraw/zinc/64/99/32/931649932.db2.gz JENUFWPDIQNYMF-UHFFFAOYSA-N 1 2 362.433 3.872 20 30 FHEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CCC#N)CC1 ZINC000581188987 931651666 /nfs/dbraw/zinc/65/16/66/931651666.db2.gz PGMRITCEDDLPFB-GFCCVEGCSA-N 1 2 364.833 3.591 20 30 FHEDLO C=CC[S@@](=O)(=NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000891382570 931981959 /nfs/dbraw/zinc/98/19/59/931981959.db2.gz PDMHKEKEYWBZPY-SXBQZSJRSA-N 1 2 371.384 3.616 20 30 FHEDLO Cc1c(C(=O)/C=C\c2cccc3[nH+]ccn32)cnn1-c1ccc(C#N)cc1 ZINC000255304197 932048347 /nfs/dbraw/zinc/04/83/47/932048347.db2.gz RKUFWXREVIWGJQ-KTKRTIGZSA-N 1 2 353.385 3.596 20 30 FHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000581702550 932528510 /nfs/dbraw/zinc/52/85/10/932528510.db2.gz SKXUQXHPGNQWMX-RTBURBONSA-N 1 2 351.450 3.806 20 30 FHEDLO C=CCOc1ccc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000581742109 932584684 /nfs/dbraw/zinc/58/46/84/932584684.db2.gz IQUZIVUTVHOLHB-UHFFFAOYSA-N 1 2 371.387 3.504 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc(-c4ccccc4)on3)CC2)cc1 ZINC000510655378 933366717 /nfs/dbraw/zinc/36/67/17/933366717.db2.gz ASURILWIZVALOE-UHFFFAOYSA-N 1 2 358.445 3.531 20 30 FHEDLO N#Cc1ccc(Oc2cccc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)cc1 ZINC000178371965 933585425 /nfs/dbraw/zinc/58/54/25/933585425.db2.gz MKQLXDOGVVUMSB-UHFFFAOYSA-N 1 2 368.396 3.928 20 30 FHEDLO CC(=O)Nc1cc(Br)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000891937234 934097063 /nfs/dbraw/zinc/09/70/63/934097063.db2.gz CVQGIXWCTQQICG-UHFFFAOYSA-N 1 2 350.260 3.533 20 30 FHEDLO CC(=O)Nc1cc(Br)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000891937234 934097079 /nfs/dbraw/zinc/09/70/79/934097079.db2.gz CVQGIXWCTQQICG-UHFFFAOYSA-N 1 2 350.260 3.533 20 30 FHEDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(C#N)cc3Cl)[nH+]c12 ZINC000610877364 934547697 /nfs/dbraw/zinc/54/76/97/934547697.db2.gz CRVDAWGXCOSMIL-UHFFFAOYSA-N 1 2 353.813 3.532 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535839419 934576195 /nfs/dbraw/zinc/57/61/95/934576195.db2.gz ZJMDWMJZVFNMOD-ZWKOTPCHSA-N 1 2 372.831 3.918 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535839419 934576203 /nfs/dbraw/zinc/57/62/03/934576203.db2.gz ZJMDWMJZVFNMOD-ZWKOTPCHSA-N 1 2 372.831 3.918 20 30 FHEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccc(OCC)cc1)c1ccccc1Cl ZINC000181161538 934597834 /nfs/dbraw/zinc/59/78/34/934597834.db2.gz QFTKIULFOQRDET-FQEVSTJZSA-N 1 2 358.869 3.720 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120025646 935469667 /nfs/dbraw/zinc/46/96/67/935469667.db2.gz SMSFUCQZXNBFQE-NSHDSACASA-N 1 2 365.264 3.663 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120025646 935469673 /nfs/dbraw/zinc/46/96/73/935469673.db2.gz SMSFUCQZXNBFQE-NSHDSACASA-N 1 2 365.264 3.663 20 30 FHEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)[nH]1 ZINC000277534049 935481760 /nfs/dbraw/zinc/48/17/60/935481760.db2.gz YOUJANCAEGIFIQ-GJZGRUSLSA-N 1 2 371.485 3.860 20 30 FHEDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)s1 ZINC000277560296 935570187 /nfs/dbraw/zinc/57/01/87/935570187.db2.gz XCHMCJNGBFJZGK-UHFFFAOYSA-N 1 2 374.535 3.820 20 30 FHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511107147 935594869 /nfs/dbraw/zinc/59/48/69/935594869.db2.gz NJKSHHDPTPHQBW-CQSZACIVSA-N 1 2 365.880 3.699 20 30 FHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511107147 935594871 /nfs/dbraw/zinc/59/48/71/935594871.db2.gz NJKSHHDPTPHQBW-CQSZACIVSA-N 1 2 365.880 3.699 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)[N@H+](C)C1 ZINC000329051008 935624477 /nfs/dbraw/zinc/62/44/77/935624477.db2.gz HCLJQZANTLEACC-RDJZCZTQSA-N 1 2 357.479 3.606 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)[N@@H+](C)C1 ZINC000329051008 935624480 /nfs/dbraw/zinc/62/44/80/935624480.db2.gz HCLJQZANTLEACC-RDJZCZTQSA-N 1 2 357.479 3.606 20 30 FHEDLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000562074553 935804952 /nfs/dbraw/zinc/80/49/52/935804952.db2.gz PLWZKTKOBFBXHE-VIFPVBQESA-N 1 2 352.257 3.637 20 30 FHEDLO C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1F ZINC000479522791 935850500 /nfs/dbraw/zinc/85/05/00/935850500.db2.gz BZBHHCMJRHBECJ-MEDUHNTESA-N 1 2 368.330 3.980 20 30 FHEDLO N#Cc1ccccc1Sc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000479521793 935852343 /nfs/dbraw/zinc/85/23/43/935852343.db2.gz JTQCYLHMUURVBJ-UHFFFAOYSA-N 1 2 374.469 3.946 20 30 FHEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cnn1-c1ccc(C#N)cc1 ZINC000255519168 935938026 /nfs/dbraw/zinc/93/80/26/935938026.db2.gz NKBLJQKIPDUIOJ-KTKRTIGZSA-N 1 2 367.412 3.905 20 30 FHEDLO C=CCn1c(C(C)C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000582718563 935979069 /nfs/dbraw/zinc/97/90/69/935979069.db2.gz QTVWVAVRBBNEQW-UHFFFAOYSA-N 1 2 368.529 3.725 20 30 FHEDLO CN(C)c1ccc([NH+]2CCC(Nc3snc(Cl)c3C#N)CC2)cc1 ZINC000078412888 936149793 /nfs/dbraw/zinc/14/97/93/936149793.db2.gz BBWIQOYXTOXLFP-UHFFFAOYSA-N 1 2 361.902 3.815 20 30 FHEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000166376351 936192924 /nfs/dbraw/zinc/19/29/24/936192924.db2.gz LHANXUQCUJSQQI-ZDUSSCGKSA-N 1 2 372.375 3.628 20 30 FHEDLO N#Cc1cc(F)ccc1CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000728568619 938286231 /nfs/dbraw/zinc/28/62/31/938286231.db2.gz GBFABGFAFASIHO-UHFFFAOYSA-N 1 2 368.368 3.756 20 30 FHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2ccccn2)n1 ZINC000583522880 938291049 /nfs/dbraw/zinc/29/10/49/938291049.db2.gz BIDDBNPNQVIFQO-UHFFFAOYSA-N 1 2 364.474 3.725 20 30 FHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2ccccn2)n1 ZINC000583522880 938291050 /nfs/dbraw/zinc/29/10/50/938291050.db2.gz BIDDBNPNQVIFQO-UHFFFAOYSA-N 1 2 364.474 3.725 20 30 FHEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548799182 938298904 /nfs/dbraw/zinc/29/89/04/938298904.db2.gz ORONXSWEOLCKAM-INIZCTEOSA-N 1 2 359.433 3.750 20 30 FHEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245513797 938301610 /nfs/dbraw/zinc/30/16/10/938301610.db2.gz AYISWEWYUPTSCY-IAGOWNOFSA-N 1 2 353.869 3.832 20 30 FHEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245513797 938301611 /nfs/dbraw/zinc/30/16/11/938301611.db2.gz AYISWEWYUPTSCY-IAGOWNOFSA-N 1 2 353.869 3.832 20 30 FHEDLO C=CCC(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245691528 938310210 /nfs/dbraw/zinc/31/02/10/938310210.db2.gz AJOHETIPKWOVAW-MOPGFXCFSA-N 1 2 362.901 3.596 20 30 FHEDLO C=CCC(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245691528 938310211 /nfs/dbraw/zinc/31/02/11/938310211.db2.gz AJOHETIPKWOVAW-MOPGFXCFSA-N 1 2 362.901 3.596 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@H](c3ccccc3)C1)C2 ZINC000329278397 938315457 /nfs/dbraw/zinc/31/54/57/938315457.db2.gz MADGQIOQWJPYOI-ROUUACIJSA-N 1 2 366.509 3.899 20 30 FHEDLO O=C(NC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329436356 938409875 /nfs/dbraw/zinc/40/98/75/938409875.db2.gz JWCCWWPGIBDLRE-CQSZACIVSA-N 1 2 359.857 3.761 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@@H](C)COC ZINC000661247589 938447183 /nfs/dbraw/zinc/44/71/83/938447183.db2.gz PHAQZPUZJJVQFP-LBPRGKRZSA-N 1 2 366.259 3.522 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@@H](C)COC ZINC000661247589 938447185 /nfs/dbraw/zinc/44/71/85/938447185.db2.gz PHAQZPUZJJVQFP-LBPRGKRZSA-N 1 2 366.259 3.522 20 30 FHEDLO N#Cc1cccc(COc2ccc(NC(=O)Cn3cc[nH+]c3)cc2Cl)c1 ZINC000583846047 938449479 /nfs/dbraw/zinc/44/94/79/938449479.db2.gz SULVOLVLTGJGKF-UHFFFAOYSA-N 1 2 366.808 3.626 20 30 FHEDLO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000132062753 938503095 /nfs/dbraw/zinc/50/30/95/938503095.db2.gz ANONELMHZYFKIE-INIZCTEOSA-N 1 2 358.511 3.508 20 30 FHEDLO Cc1cc(C(N)=[NH+]OCc2ccc(SC(=O)N(C)C)cc2)ccc1F ZINC000176858622 938928446 /nfs/dbraw/zinc/92/84/46/938928446.db2.gz BDFJSIFSVDTCHC-UHFFFAOYSA-N 1 2 361.442 3.745 20 30 FHEDLO Cc1cc(N2CCN(Cc3ccc(Cl)cc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000480511836 938966203 /nfs/dbraw/zinc/96/62/03/938966203.db2.gz DPQLZQIEDKPWOW-UHFFFAOYSA-N 1 2 369.900 3.756 20 30 FHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3cccc(F)c3C#N)n2)CC1 ZINC000188194145 939036983 /nfs/dbraw/zinc/03/69/83/939036983.db2.gz LVJMXCYMIJHOOM-UHFFFAOYSA-N 1 2 358.442 3.638 20 30 FHEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000612165579 939172583 /nfs/dbraw/zinc/17/25/83/939172583.db2.gz MQKDGMVNQRVILT-IRLDBZIGSA-N 1 2 350.462 3.719 20 30 FHEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000612165579 939172585 /nfs/dbraw/zinc/17/25/85/939172585.db2.gz MQKDGMVNQRVILT-IRLDBZIGSA-N 1 2 350.462 3.719 20 30 FHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(F)c(C#N)c3)n2)C1 ZINC000507462209 945250102 /nfs/dbraw/zinc/25/01/02/945250102.db2.gz XERZYCJOIFYLHF-LBPRGKRZSA-N 1 2 358.442 3.638 20 30 FHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(F)c(C#N)c3)n2)C1 ZINC000507462209 945250108 /nfs/dbraw/zinc/25/01/08/945250108.db2.gz XERZYCJOIFYLHF-LBPRGKRZSA-N 1 2 358.442 3.638 20 30 FHEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000426586926 945279773 /nfs/dbraw/zinc/27/97/73/945279773.db2.gz OBDHGVKTKRNUBV-QFIPXVFZSA-N 1 2 359.473 3.562 20 30 FHEDLO C[C@@H](c1cccc(Br)c1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000158921886 939904144 /nfs/dbraw/zinc/90/41/44/939904144.db2.gz VTXKICARHKADOG-AWEZNQCLSA-N 1 2 371.282 3.599 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000364356251 939925562 /nfs/dbraw/zinc/92/55/62/939925562.db2.gz BPLATTMDDPRBFC-IBGZPJMESA-N 1 2 371.912 3.826 20 30 FHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000413843118 940176176 /nfs/dbraw/zinc/17/61/76/940176176.db2.gz ZFQGAHPORSWBKE-DFQSSKMNSA-N 1 2 352.482 3.663 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCc3c(cccc3C(N)=O)C2)cc1Cl ZINC000668781691 940216824 /nfs/dbraw/zinc/21/68/24/940216824.db2.gz CHMOHVMYFUXWRD-UHFFFAOYSA-N 1 2 356.853 3.562 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)cc1Cl ZINC000668781691 940216825 /nfs/dbraw/zinc/21/68/25/940216825.db2.gz CHMOHVMYFUXWRD-UHFFFAOYSA-N 1 2 356.853 3.562 20 30 FHEDLO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000180029604 940277509 /nfs/dbraw/zinc/27/75/09/940277509.db2.gz VYFOUFVUXSOOEV-UHFFFAOYSA-N 1 2 367.405 3.648 20 30 FHEDLO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000180029604 940277510 /nfs/dbraw/zinc/27/75/10/940277510.db2.gz VYFOUFVUXSOOEV-UHFFFAOYSA-N 1 2 367.405 3.648 20 30 FHEDLO Cc1cccn2cc(Cc3noc(-c4cc5ccccc5n4CC#N)n3)[nH+]c12 ZINC000612918785 940335796 /nfs/dbraw/zinc/33/57/96/940335796.db2.gz NMTXWDZRBRLEAS-UHFFFAOYSA-N 1 2 368.400 3.762 20 30 FHEDLO N#Cc1ccc(Cl)c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000507547672 945320591 /nfs/dbraw/zinc/32/05/91/945320591.db2.gz HOSANWCVUNRWIZ-UHFFFAOYSA-N 1 2 366.808 3.739 20 30 FHEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000330080438 945348653 /nfs/dbraw/zinc/34/86/53/945348653.db2.gz PCINJYQEJNZVAY-NPPFBWRTSA-N 1 2 374.525 3.782 20 30 FHEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000330080438 945348663 /nfs/dbraw/zinc/34/86/63/945348663.db2.gz PCINJYQEJNZVAY-NPPFBWRTSA-N 1 2 374.525 3.782 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@@]2(CCOC2)O1 ZINC000330089875 945351240 /nfs/dbraw/zinc/35/12/40/945351240.db2.gz WETDHFJOLZSCOE-HLAWJBBLSA-N 1 2 360.498 3.610 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@@]2(CCOC2)O1 ZINC000330089875 945351246 /nfs/dbraw/zinc/35/12/46/945351246.db2.gz WETDHFJOLZSCOE-HLAWJBBLSA-N 1 2 360.498 3.610 20 30 FHEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330105116 945359268 /nfs/dbraw/zinc/35/92/68/945359268.db2.gz IDDVRDIADBQGJP-HRAATJIYSA-N 1 2 354.450 3.698 20 30 FHEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330105116 945359281 /nfs/dbraw/zinc/35/92/81/945359281.db2.gz IDDVRDIADBQGJP-HRAATJIYSA-N 1 2 354.450 3.698 20 30 FHEDLO CO[C@]1(C)CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000330118352 945363292 /nfs/dbraw/zinc/36/32/92/945363292.db2.gz YLAAADNUQNAWDY-GOSISDBHSA-N 1 2 366.531 3.566 20 30 FHEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)C2CC2)cc1 ZINC000330123326 945365494 /nfs/dbraw/zinc/36/54/94/945365494.db2.gz KTNZRISFCALJCX-HSQYWUDLSA-N 1 2 372.509 3.673 20 30 FHEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)C2CC2)cc1 ZINC000330123326 945365504 /nfs/dbraw/zinc/36/55/04/945365504.db2.gz KTNZRISFCALJCX-HSQYWUDLSA-N 1 2 372.509 3.673 20 30 FHEDLO O=C(c1ccccc1F)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177017307 941094020 /nfs/dbraw/zinc/09/40/20/941094020.db2.gz MZTSQBYXRLXBCY-UHFFFAOYSA-N 1 2 370.855 3.679 20 30 FHEDLO O=C(c1ccccc1F)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177017307 941094022 /nfs/dbraw/zinc/09/40/22/941094022.db2.gz MZTSQBYXRLXBCY-UHFFFAOYSA-N 1 2 370.855 3.679 20 30 FHEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC000174112421 941700177 /nfs/dbraw/zinc/70/01/77/941700177.db2.gz JAEVMGSQMIIVTD-LBPRGKRZSA-N 1 2 370.384 3.591 20 30 FHEDLO C=CCC[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000433764384 941882457 /nfs/dbraw/zinc/88/24/57/941882457.db2.gz HAFBMFFOUHYUTJ-RBUKOAKNSA-N 1 2 352.482 3.947 20 30 FHEDLO C=CCC[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000433764384 941882462 /nfs/dbraw/zinc/88/24/62/941882462.db2.gz HAFBMFFOUHYUTJ-RBUKOAKNSA-N 1 2 352.482 3.947 20 30 FHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728707929 941919642 /nfs/dbraw/zinc/91/96/42/941919642.db2.gz WDGLYGWLCKMGTH-UHFFFAOYSA-N 1 2 364.424 3.667 20 30 FHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728707929 941919644 /nfs/dbraw/zinc/91/96/44/941919644.db2.gz WDGLYGWLCKMGTH-UHFFFAOYSA-N 1 2 364.424 3.667 20 30 FHEDLO Cc1sc(NC(=O)C[NH+]2CCC(OC3CCCC3)CC2)c(C#N)c1C ZINC000177087693 941965232 /nfs/dbraw/zinc/96/52/32/941965232.db2.gz QZNDVXBOYZSWOD-UHFFFAOYSA-N 1 2 361.511 3.599 20 30 FHEDLO C[NH+](C)[C@]1(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCOc2ccccc21 ZINC000377801314 942000627 /nfs/dbraw/zinc/00/06/27/942000627.db2.gz VHPWBSRMXAWBSH-JOCHJYFZSA-N 1 2 363.461 3.666 20 30 FHEDLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NCc2ccc(C#N)s2)[nH+]cn1 ZINC000420612500 942118572 /nfs/dbraw/zinc/11/85/72/942118572.db2.gz UXXFXEGVNWUNAV-QAPCUYQASA-N 1 2 357.483 3.637 20 30 FHEDLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NCc2ccc(C#N)s2)nc[nH+]1 ZINC000420612500 942118584 /nfs/dbraw/zinc/11/85/84/942118584.db2.gz UXXFXEGVNWUNAV-QAPCUYQASA-N 1 2 357.483 3.637 20 30 FHEDLO Cc1cc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc(C)[nH+]1 ZINC000420803746 942204742 /nfs/dbraw/zinc/20/47/42/942204742.db2.gz MTDLPKLNILAUGQ-UHFFFAOYSA-N 1 2 361.367 3.568 20 30 FHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCCCNc1cccc[nH+]1 ZINC000419610073 942333678 /nfs/dbraw/zinc/33/36/78/942333678.db2.gz ADZSHZPDZMXRNE-IBGZPJMESA-N 1 2 363.465 3.522 20 30 FHEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000513958548 942623647 /nfs/dbraw/zinc/62/36/47/942623647.db2.gz TYFSLDGPBHOFMD-GHTZIAJQSA-N 1 2 366.505 3.844 20 30 FHEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000513958548 942623650 /nfs/dbraw/zinc/62/36/50/942623650.db2.gz TYFSLDGPBHOFMD-GHTZIAJQSA-N 1 2 366.505 3.844 20 30 FHEDLO C=CC[C@H]1CCCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000664253030 942708720 /nfs/dbraw/zinc/70/87/20/942708720.db2.gz VYSZLTGYVJWIMT-HKUYNNGSSA-N 1 2 352.482 3.702 20 30 FHEDLO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccncc1 ZINC000502771402 942731765 /nfs/dbraw/zinc/73/17/65/942731765.db2.gz WUTMZIRBQLUAEE-INIZCTEOSA-N 1 2 368.506 3.794 20 30 FHEDLO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccncc1 ZINC000502771402 942731767 /nfs/dbraw/zinc/73/17/67/942731767.db2.gz WUTMZIRBQLUAEE-INIZCTEOSA-N 1 2 368.506 3.794 20 30 FHEDLO CCCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001269833322 942845626 /nfs/dbraw/zinc/84/56/26/942845626.db2.gz WDIRQJWABYYLIT-PMACEKPBSA-N 1 2 368.562 3.813 20 30 FHEDLO CCCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001269833322 942845630 /nfs/dbraw/zinc/84/56/30/942845630.db2.gz WDIRQJWABYYLIT-PMACEKPBSA-N 1 2 368.562 3.813 20 30 FHEDLO N#Cc1ccc(CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C2CC2)cc1 ZINC000425144166 942878495 /nfs/dbraw/zinc/87/84/95/942878495.db2.gz MCWJJEHOASPISN-NRFANRHFSA-N 1 2 370.456 3.995 20 30 FHEDLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000430090457 942884585 /nfs/dbraw/zinc/88/45/85/942884585.db2.gz NUHGVXQNLTUQDO-FZKQIMNGSA-N 1 2 363.383 3.878 20 30 FHEDLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000430090457 942884587 /nfs/dbraw/zinc/88/45/87/942884587.db2.gz NUHGVXQNLTUQDO-FZKQIMNGSA-N 1 2 363.383 3.878 20 30 FHEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000425349596 943350637 /nfs/dbraw/zinc/35/06/37/943350637.db2.gz GIXRCDDUEUEYAJ-VIFPVBQESA-N 1 2 369.368 3.671 20 30 FHEDLO Cc1nc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)sc1SCC#N ZINC000504821897 943828775 /nfs/dbraw/zinc/82/87/75/943828775.db2.gz ZICIMMZFPOYQII-UHFFFAOYSA-N 1 2 369.475 3.564 20 30 FHEDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c(Br)c1 ZINC000566517788 943929151 /nfs/dbraw/zinc/92/91/51/943929151.db2.gz HMVJEZHRPRJXAM-UHFFFAOYSA-N 1 2 373.250 3.739 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(Br)c1 ZINC000566517788 943929156 /nfs/dbraw/zinc/92/91/56/943929156.db2.gz HMVJEZHRPRJXAM-UHFFFAOYSA-N 1 2 373.250 3.739 20 30 FHEDLO C=CCC1(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000424687778 944047824 /nfs/dbraw/zinc/04/78/24/944047824.db2.gz CGXSUHLBZZTWHB-UHFFFAOYSA-N 1 2 371.525 3.519 20 30 FHEDLO N#CCCCn1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000364245846 944143418 /nfs/dbraw/zinc/14/34/18/944143418.db2.gz XMVUHYXDFFNLHJ-GOSISDBHSA-N 1 2 374.444 3.634 20 30 FHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000025478330 944380682 /nfs/dbraw/zinc/38/06/82/944380682.db2.gz SPVSECACICPIFO-UHFFFAOYSA-N 1 2 354.391 3.833 20 30 FHEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000025478330 944380686 /nfs/dbraw/zinc/38/06/86/944380686.db2.gz SPVSECACICPIFO-UHFFFAOYSA-N 1 2 354.391 3.833 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000550199258 944401954 /nfs/dbraw/zinc/40/19/54/944401954.db2.gz JCSCWIPZRHVOOE-AWEZNQCLSA-N 1 2 350.447 3.824 20 30 FHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)cc(OCC)cc1F)C2 ZINC001143574849 944439992 /nfs/dbraw/zinc/43/99/92/944439992.db2.gz KQIPYWIDMCLCPQ-JXFKEZNVSA-N 1 2 367.436 3.690 20 30 FHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)cc(OCC)cc1F)C2 ZINC001143574849 944439999 /nfs/dbraw/zinc/43/99/99/944439999.db2.gz KQIPYWIDMCLCPQ-JXFKEZNVSA-N 1 2 367.436 3.690 20 30 FHEDLO Cc1nsc(C)c1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000516191575 944564966 /nfs/dbraw/zinc/56/49/66/944564966.db2.gz ROTPONXDISHWEW-SFHVURJKSA-N 1 2 360.914 3.796 20 30 FHEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3Cl)CC2)cc1F ZINC000439433707 944608887 /nfs/dbraw/zinc/60/88/87/944608887.db2.gz CCDANZWNAMUACU-UHFFFAOYSA-N 1 2 373.859 3.677 20 30 FHEDLO Cc1cc(N2CCN(Cc3ccc(C#N)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000439436046 944614823 /nfs/dbraw/zinc/61/48/23/944614823.db2.gz FSDMUVMTBPHOMC-UHFFFAOYSA-N 1 2 369.900 3.756 20 30 FHEDLO C=CCOc1ccc(C[NH2+]Cc2nc(-c3ccccc3)no2)cc1OC ZINC000473834165 944622858 /nfs/dbraw/zinc/62/28/58/944622858.db2.gz GMPBVGZSFXNPSL-UHFFFAOYSA-N 1 2 351.406 3.600 20 30 FHEDLO CC(C)=CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)cc1 ZINC000439482125 944684873 /nfs/dbraw/zinc/68/48/73/944684873.db2.gz QSRSQFGJFUJKES-FQEVSTJZSA-N 1 2 359.901 3.917 20 30 FHEDLO CC(C)=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)cc1 ZINC000439482125 944684876 /nfs/dbraw/zinc/68/48/76/944684876.db2.gz QSRSQFGJFUJKES-FQEVSTJZSA-N 1 2 359.901 3.917 20 30 FHEDLO N#Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000517898804 944809798 /nfs/dbraw/zinc/80/97/98/944809798.db2.gz YFDNPLNJOXPGPE-SFHVURJKSA-N 1 2 371.893 3.940 20 30 FHEDLO Cc1cc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)ccc1C#N ZINC000566796510 944855524 /nfs/dbraw/zinc/85/55/24/944855524.db2.gz HELUHLNRVQLOLX-UHFFFAOYSA-N 1 2 372.519 3.650 20 30 FHEDLO N#Cc1ccc(/C=C\c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000518874118 944881022 /nfs/dbraw/zinc/88/10/22/944881022.db2.gz GGCPRIXHHURHLU-HJWRWDBZSA-N 1 2 372.428 3.611 20 30 FHEDLO Cc1cc(C)cc(C2(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)CC2)c1 ZINC000511750618 945010881 /nfs/dbraw/zinc/01/08/81/945010881.db2.gz AGCPETKPLDUFAW-UHFFFAOYSA-N 1 2 373.500 3.551 20 30 FHEDLO CC1(C)C[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)c2ccc(F)cc2O1 ZINC000330151228 945377561 /nfs/dbraw/zinc/37/75/61/945377561.db2.gz LHSHADWMSBIYAS-MRXNPFEDSA-N 1 2 368.412 3.779 20 30 FHEDLO CC1(C)C[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2ccc(F)cc2O1 ZINC000330153129 945378215 /nfs/dbraw/zinc/37/82/15/945378215.db2.gz MMOZFAGJOWZXSB-MRXNPFEDSA-N 1 2 372.444 3.945 20 30 FHEDLO C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000330158300 945381099 /nfs/dbraw/zinc/38/10/99/945381099.db2.gz PYNGXNLMZLCKJR-NQSCKRDGSA-N 1 2 366.461 3.896 20 30 FHEDLO C[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000330158300 945381112 /nfs/dbraw/zinc/38/11/12/945381112.db2.gz PYNGXNLMZLCKJR-NQSCKRDGSA-N 1 2 366.461 3.896 20 30 FHEDLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330185148 945393522 /nfs/dbraw/zinc/39/35/22/945393522.db2.gz IYXFFODSVQVYHR-FUHIMQAGSA-N 1 2 352.482 3.661 20 30 FHEDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330265784 945433730 /nfs/dbraw/zinc/43/37/30/945433730.db2.gz ZRLKIVFDNJXVKT-IYBDPMFKSA-N 1 2 370.449 3.902 20 30 FHEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330265784 945433738 /nfs/dbraw/zinc/43/37/38/945433738.db2.gz ZRLKIVFDNJXVKT-IYBDPMFKSA-N 1 2 370.449 3.902 20 30 FHEDLO Cc1cccc([C@@H]2CCCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000330282036 945444455 /nfs/dbraw/zinc/44/44/55/945444455.db2.gz VCHLQOAJOFYTNV-MJGOQNOKSA-N 1 2 352.482 3.956 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(CC(F)(F)F)s1 ZINC000894410948 945543721 /nfs/dbraw/zinc/54/37/21/945543721.db2.gz AGHSCVVXMLAYMT-UHFFFAOYSA-N 1 2 360.401 3.912 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(CC(F)(F)F)s1 ZINC000894410948 945543725 /nfs/dbraw/zinc/54/37/25/945543725.db2.gz AGHSCVVXMLAYMT-UHFFFAOYSA-N 1 2 360.401 3.912 20 30 FHEDLO C#C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccc(Br)cc1 ZINC000894870366 945555653 /nfs/dbraw/zinc/55/56/53/945555653.db2.gz KWENIHLMHOGBRJ-ZDUSSCGKSA-N 1 2 354.198 3.584 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCO1 ZINC000330334092 945602844 /nfs/dbraw/zinc/60/28/44/945602844.db2.gz QIJVANKZSNXZNM-MRRJBJDNSA-N 1 2 372.400 3.511 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)CCO1 ZINC000330335457 945604678 /nfs/dbraw/zinc/60/46/78/945604678.db2.gz ROHDSAFTKPPXEI-AEFFLSMTSA-N 1 2 357.429 3.858 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660970107 945608322 /nfs/dbraw/zinc/60/83/22/945608322.db2.gz XXVUSZGFGIYSSB-QXGSTGNESA-N 1 2 361.436 3.603 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660970107 945608327 /nfs/dbraw/zinc/60/83/27/945608327.db2.gz XXVUSZGFGIYSSB-QXGSTGNESA-N 1 2 361.436 3.603 20 30 FHEDLO C=CCOCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000549527585 945696068 /nfs/dbraw/zinc/69/60/68/945696068.db2.gz STTKPGKAZXIGPU-MRXNPFEDSA-N 1 2 357.281 3.989 20 30 FHEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000549527585 945696072 /nfs/dbraw/zinc/69/60/72/945696072.db2.gz STTKPGKAZXIGPU-MRXNPFEDSA-N 1 2 357.281 3.989 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](C)COC ZINC000661244805 945899865 /nfs/dbraw/zinc/89/98/65/945899865.db2.gz YJANUQSMVBDSEJ-NSHDSACASA-N 1 2 364.795 3.820 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](C)COC ZINC000661244805 945899874 /nfs/dbraw/zinc/89/98/74/945899874.db2.gz YJANUQSMVBDSEJ-NSHDSACASA-N 1 2 364.795 3.820 20 30 FHEDLO C=CCC[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000440853916 945984640 /nfs/dbraw/zinc/98/46/40/945984640.db2.gz ZFNRBBFQANMQRB-INIZCTEOSA-N 1 2 366.387 3.909 20 30 FHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000520172879 946226086 /nfs/dbraw/zinc/22/60/86/946226086.db2.gz LVPLKEWENFCCMN-LJQANCHMSA-N 1 2 353.853 3.665 20 30 FHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000520172879 946226096 /nfs/dbraw/zinc/22/60/96/946226096.db2.gz LVPLKEWENFCCMN-LJQANCHMSA-N 1 2 353.853 3.665 20 30 FHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890204 946313422 /nfs/dbraw/zinc/31/34/22/946313422.db2.gz VSPIDKXGMKRLJP-UHFFFAOYSA-N 1 2 373.460 3.866 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cscn2)ccc1Cl ZINC000595668044 946330187 /nfs/dbraw/zinc/33/01/87/946330187.db2.gz JVVQZQBECQDFEG-CYBMUJFWSA-N 1 2 362.886 3.702 20 30 FHEDLO C=CCOc1ccc(CNc2ccc(Cn3cc[nH+]c3)cn2)cc1Cl ZINC000508489587 946584106 /nfs/dbraw/zinc/58/41/06/946584106.db2.gz NLUPUIJNMLRVBY-UHFFFAOYSA-N 1 2 354.841 3.579 20 30 FHEDLO CC(C)(C)c1ccc(-c2noc(CC3=CC[NH2+]CC3(F)F)n2)c(C#N)c1 ZINC001211899565 946664990 /nfs/dbraw/zinc/66/49/90/946664990.db2.gz BZYHHUSGVKESDC-UHFFFAOYSA-N 1 2 358.392 3.613 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328685714 946986726 /nfs/dbraw/zinc/98/67/26/946986726.db2.gz XQPDAVKEVNUBKO-QILLFSRXSA-N 1 2 367.852 3.937 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328685714 946986735 /nfs/dbraw/zinc/98/67/35/946986735.db2.gz XQPDAVKEVNUBKO-QILLFSRXSA-N 1 2 367.852 3.937 20 30 FHEDLO N#Cc1ccc(NCC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000444554233 946993603 /nfs/dbraw/zinc/99/36/03/946993603.db2.gz WTOQASQWVQUXRA-UHFFFAOYSA-N 1 2 371.444 3.809 20 30 FHEDLO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc2c(c1)CCCC2 ZINC000328770303 947019053 /nfs/dbraw/zinc/01/90/53/947019053.db2.gz AAPLKXMPFHWDIJ-HNAYVOBHSA-N 1 2 352.482 3.763 20 30 FHEDLO O=C(Nc1cccc2c1CN(c1nccs1)C2)[C@H]1CCn2c[nH+]cc2C1 ZINC000328806045 947029842 /nfs/dbraw/zinc/02/98/42/947029842.db2.gz CGZCGDXUXFIMKU-ZDUSSCGKSA-N 1 2 365.462 3.710 20 30 FHEDLO C[C@@H]1N(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCOC1(C)C ZINC000328809580 947031279 /nfs/dbraw/zinc/03/12/79/947031279.db2.gz MECHLSBSLZFFOL-HNNXBMFYSA-N 1 2 366.465 3.647 20 30 FHEDLO COC(=O)C(C)(C)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444658070 947075786 /nfs/dbraw/zinc/07/57/86/947075786.db2.gz ACICPFLWHDRHGV-UHFFFAOYSA-N 1 2 350.462 3.770 20 30 FHEDLO COC(=O)C(C)(C)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444658070 947075791 /nfs/dbraw/zinc/07/57/91/947075791.db2.gz ACICPFLWHDRHGV-UHFFFAOYSA-N 1 2 350.462 3.770 20 30 FHEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC12CCCCC2 ZINC000328942716 947096217 /nfs/dbraw/zinc/09/62/17/947096217.db2.gz AEHKRTHNOGRLOQ-HNNXBMFYSA-N 1 2 361.461 3.669 20 30 FHEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC12CCCCC2 ZINC000328942716 947096228 /nfs/dbraw/zinc/09/62/28/947096228.db2.gz AEHKRTHNOGRLOQ-HNNXBMFYSA-N 1 2 361.461 3.669 20 30 FHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662043117 947118771 /nfs/dbraw/zinc/11/87/71/947118771.db2.gz HJMNHBNVPWZQEO-UHFFFAOYSA-N 1 2 357.479 3.771 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000328966763 947126645 /nfs/dbraw/zinc/12/66/45/947126645.db2.gz NBYSZALIPPXNAW-HMXCVIKNSA-N 1 2 368.477 3.944 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000328966763 947126654 /nfs/dbraw/zinc/12/66/54/947126654.db2.gz NBYSZALIPPXNAW-HMXCVIKNSA-N 1 2 368.477 3.944 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1cccc(C(C)C)c1 ZINC000328984693 947134410 /nfs/dbraw/zinc/13/44/10/947134410.db2.gz SXXJBIGOSJWUJV-HSALFYBXSA-N 1 2 360.498 3.914 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1cccc(C(C)C)c1 ZINC000328984693 947134411 /nfs/dbraw/zinc/13/44/11/947134411.db2.gz SXXJBIGOSJWUJV-HSALFYBXSA-N 1 2 360.498 3.914 20 30 FHEDLO C=CC[C@H]1N(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCC1(C)C ZINC000444849575 947261418 /nfs/dbraw/zinc/26/14/18/947261418.db2.gz MWTYKDQQCYGPOL-GOSISDBHSA-N 1 2 356.514 3.827 20 30 FHEDLO C=C[C@@](C)(CCOC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011637 947301820 /nfs/dbraw/zinc/30/18/20/947301820.db2.gz ZWDJZRJHHUUXLG-MMOPVJDHSA-N 1 2 371.481 3.512 20 30 FHEDLO C=C[C@@](C)(CCOC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011637 947301834 /nfs/dbraw/zinc/30/18/34/947301834.db2.gz ZWDJZRJHHUUXLG-MMOPVJDHSA-N 1 2 371.481 3.512 20 30 FHEDLO COc1cc(OC)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000093872380 947437309 /nfs/dbraw/zinc/43/73/09/947437309.db2.gz QILHGUNJDGVEIA-AZUAARDMSA-N 1 2 366.461 3.984 20 30 FHEDLO COc1cc(OC)c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000093872380 947437315 /nfs/dbraw/zinc/43/73/15/947437315.db2.gz QILHGUNJDGVEIA-AZUAARDMSA-N 1 2 366.461 3.984 20 30 FHEDLO N#Cc1ccc(C[NH2+]Cc2ccc(I)cc2Cl)o1 ZINC000475623473 947591637 /nfs/dbraw/zinc/59/16/37/947591637.db2.gz HYAJXGITVDCVAU-UHFFFAOYSA-N 1 2 372.593 3.699 20 30 FHEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000432355442 948203951 /nfs/dbraw/zinc/20/39/51/948203951.db2.gz DXLQRWGTMWSQBC-IAGOWNOFSA-N 1 2 351.441 3.612 20 30 FHEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000432355442 948203957 /nfs/dbraw/zinc/20/39/57/948203957.db2.gz DXLQRWGTMWSQBC-IAGOWNOFSA-N 1 2 351.441 3.612 20 30 FHEDLO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507786767 948393980 /nfs/dbraw/zinc/39/39/80/948393980.db2.gz BEDUELCUFFWHQU-AWEZNQCLSA-N 1 2 354.454 3.843 20 30 FHEDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1C ZINC000507788788 948454639 /nfs/dbraw/zinc/45/46/39/948454639.db2.gz PVXUNWVMQJTQAX-UHFFFAOYSA-N 1 2 363.461 3.657 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000512187031 948728167 /nfs/dbraw/zinc/72/81/67/948728167.db2.gz ONVGQZQOIIEXRW-HNNXBMFYSA-N 1 2 360.429 3.625 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000512187031 948728175 /nfs/dbraw/zinc/72/81/75/948728175.db2.gz ONVGQZQOIIEXRW-HNNXBMFYSA-N 1 2 360.429 3.625 20 30 FHEDLO N#Cc1cc(F)ccc1C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000568100599 567881606 /nfs/dbraw/zinc/88/16/06/567881606.db2.gz UNCFTQWYBFENMD-UHFFFAOYSA-N 1 2 352.438 3.629 20 30 FHEDLO CCCCCc1[nH+]c2ccccc2n1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000601955222 567885214 /nfs/dbraw/zinc/88/52/14/567885214.db2.gz USQLWVYEIBMVOS-KRWDZBQOSA-N 1 2 355.482 3.840 20 30 FHEDLO CC(C)C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000602099087 567926422 /nfs/dbraw/zinc/92/64/22/567926422.db2.gz XDAWWOOOHKSXSE-CVEARBPZSA-N 1 2 364.371 3.870 20 30 FHEDLO COc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(Cl)cc1O ZINC000602649951 568004885 /nfs/dbraw/zinc/00/48/85/568004885.db2.gz BVOCGSGOILSQTR-UHFFFAOYSA-N 1 2 357.841 3.507 20 30 FHEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc2O1 ZINC000568438250 568038246 /nfs/dbraw/zinc/03/82/46/568038246.db2.gz MLOTVHCXPYEQEQ-UHFFFAOYSA-N 1 2 369.852 3.823 20 30 FHEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc2O1 ZINC000568438250 568038247 /nfs/dbraw/zinc/03/82/47/568038247.db2.gz MLOTVHCXPYEQEQ-UHFFFAOYSA-N 1 2 369.852 3.823 20 30 FHEDLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000602779943 568038773 /nfs/dbraw/zinc/03/87/73/568038773.db2.gz CRLCINHMLFZELO-IRXDYDNUSA-N 1 2 355.463 3.592 20 30 FHEDLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000602779943 568038774 /nfs/dbraw/zinc/03/87/74/568038774.db2.gz CRLCINHMLFZELO-IRXDYDNUSA-N 1 2 355.463 3.592 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1Cl ZINC000481746934 568108577 /nfs/dbraw/zinc/10/85/77/568108577.db2.gz GPZZTVMIOCUSIC-UHFFFAOYSA-N 1 2 351.837 3.698 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1Cl ZINC000481746934 568108578 /nfs/dbraw/zinc/10/85/78/568108578.db2.gz GPZZTVMIOCUSIC-UHFFFAOYSA-N 1 2 351.837 3.698 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1 ZINC000481771833 568119085 /nfs/dbraw/zinc/11/90/85/568119085.db2.gz BMHZBZNCVLPJRC-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1 ZINC000481771833 568119086 /nfs/dbraw/zinc/11/90/86/568119086.db2.gz BMHZBZNCVLPJRC-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cn1 ZINC000569066290 568295943 /nfs/dbraw/zinc/29/59/43/568295943.db2.gz AKZKHSCTELMIKV-UHFFFAOYSA-N 1 2 363.248 3.721 20 30 FHEDLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cn1 ZINC000569066290 568295944 /nfs/dbraw/zinc/29/59/44/568295944.db2.gz AKZKHSCTELMIKV-UHFFFAOYSA-N 1 2 363.248 3.721 20 30 FHEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604670386 568344910 /nfs/dbraw/zinc/34/49/10/568344910.db2.gz KPNXPWDAKHNTBL-UHFFFAOYSA-N 1 2 364.424 3.909 20 30 FHEDLO C=CC1CCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)CC1 ZINC000111631880 568350919 /nfs/dbraw/zinc/35/09/19/568350919.db2.gz REABEIDRTGDJJF-UHFFFAOYSA-N 1 2 365.477 3.581 20 30 FHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000541995130 568394183 /nfs/dbraw/zinc/39/41/83/568394183.db2.gz RKQKPFBXASUVMG-UHFFFAOYSA-N 1 2 374.835 3.617 20 30 FHEDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C#N)cnc3ccc(Cl)cc31)CCC2 ZINC000569790392 568424679 /nfs/dbraw/zinc/42/46/79/568424679.db2.gz HWYXRBZBLUCWGU-CYBMUJFWSA-N 1 2 351.841 3.676 20 30 FHEDLO C=CCNC(=O)[C@@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000007098588 568447975 /nfs/dbraw/zinc/44/79/75/568447975.db2.gz LQJJYPAIVMQOJG-CYBMUJFWSA-N 1 2 362.458 3.819 20 30 FHEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](CC)CN1C(C)=O ZINC000570133354 568453287 /nfs/dbraw/zinc/45/32/87/568453287.db2.gz JRMYTSBCCJNWEU-DLBZAZTESA-N 1 2 367.415 3.798 20 30 FHEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](CC)CN1C(C)=O ZINC000570133354 568453288 /nfs/dbraw/zinc/45/32/88/568453288.db2.gz JRMYTSBCCJNWEU-DLBZAZTESA-N 1 2 367.415 3.798 20 30 FHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000570285822 568472818 /nfs/dbraw/zinc/47/28/18/568472818.db2.gz ZLZNTZMMJPBKKS-IRXDYDNUSA-N 1 2 361.283 3.854 20 30 FHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000570285822 568472819 /nfs/dbraw/zinc/47/28/19/568472819.db2.gz ZLZNTZMMJPBKKS-IRXDYDNUSA-N 1 2 361.283 3.854 20 30 FHEDLO CC(C)Oc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C#N ZINC000570734921 568505360 /nfs/dbraw/zinc/50/53/60/568505360.db2.gz AFEGGVATVXBHPY-UHFFFAOYSA-N 1 2 374.444 3.771 20 30 FHEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000570850024 568545827 /nfs/dbraw/zinc/54/58/27/568545827.db2.gz VEBRZWIDEVZLSA-QMMMGPOBSA-N 1 2 356.329 3.793 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1F ZINC000225536765 571337077 /nfs/dbraw/zinc/33/70/77/571337077.db2.gz TWSIGULIBTWMCW-CYBMUJFWSA-N 1 2 352.335 3.819 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1F ZINC000225536765 571337078 /nfs/dbraw/zinc/33/70/78/571337078.db2.gz TWSIGULIBTWMCW-CYBMUJFWSA-N 1 2 352.335 3.819 20 30 FHEDLO Cc1ccc(-c2nnc(C[N@H+](C)CCOCc3ccc(C#N)cc3)o2)cc1 ZINC000583108016 937126105 /nfs/dbraw/zinc/12/61/05/937126105.db2.gz PMJYUKYPNMGBML-UHFFFAOYSA-N 1 2 362.433 3.565 20 30 FHEDLO Cc1ccc(-c2nnc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)o2)cc1 ZINC000583108016 937126116 /nfs/dbraw/zinc/12/61/16/937126116.db2.gz PMJYUKYPNMGBML-UHFFFAOYSA-N 1 2 362.433 3.565 20 30 FHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(C#N)c1C ZINC000510112952 928392342 /nfs/dbraw/zinc/39/23/42/928392342.db2.gz NDQOUCGUFCFAFC-UHFFFAOYSA-N 1 2 362.477 3.640 20 30 FHEDLO C=CCn1c(COc2ccccc2F)nnc1SCCCn1cc[nH+]c1 ZINC000180429993 929509831 /nfs/dbraw/zinc/50/98/31/929509831.db2.gz FQJDYNUWQQFSLA-UHFFFAOYSA-N 1 2 373.457 3.561 20 30 FHEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000152720391 937348589 /nfs/dbraw/zinc/34/85/89/937348589.db2.gz PJRYEQJGRZOHOW-FQEVSTJZSA-N 1 2 362.473 3.962 20 30 FHEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000152720391 937348594 /nfs/dbraw/zinc/34/85/94/937348594.db2.gz PJRYEQJGRZOHOW-FQEVSTJZSA-N 1 2 362.473 3.962 20 30 FHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000255387055 930493306 /nfs/dbraw/zinc/49/33/06/930493306.db2.gz BNUZZORESXLLNV-KUHUBIRLSA-N 1 2 373.547 3.765 20 30 FHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000255387055 930493308 /nfs/dbraw/zinc/49/33/08/930493308.db2.gz BNUZZORESXLLNV-KUHUBIRLSA-N 1 2 373.547 3.765 20 30 FHEDLO C=CCc1cc(C)c[nH+]c1NC[C@@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC001167445039 931540702 /nfs/dbraw/zinc/54/07/02/931540702.db2.gz HUWCHJYLHJBZFK-HXUWFJFHSA-N 1 2 355.457 3.571 20 30 FHEDLO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000127204155 932366265 /nfs/dbraw/zinc/36/62/65/932366265.db2.gz MHGVLZXKZSBBAU-QGZVFWFLSA-N 1 2 373.460 3.743 20 30 FHEDLO C=CC[N@@H+](Cc1ccnn1-c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000430726129 933184501 /nfs/dbraw/zinc/18/45/01/933184501.db2.gz SZEWHBISMWUSTR-UHFFFAOYSA-N 1 2 358.445 3.941 20 30 FHEDLO C=CC[N@H+](Cc1ccnn1-c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000430726129 933184503 /nfs/dbraw/zinc/18/45/03/933184503.db2.gz SZEWHBISMWUSTR-UHFFFAOYSA-N 1 2 358.445 3.941 20 30 FHEDLO N#Cc1ccc(Cl)c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000510677145 933410417 /nfs/dbraw/zinc/41/04/17/933410417.db2.gz CEKXDWHHGOAXEV-UHFFFAOYSA-N 1 2 368.868 3.917 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)ccc1Cl ZINC000091701943 933876748 /nfs/dbraw/zinc/87/67/48/933876748.db2.gz WSVDTRDOMCDYRB-INIZCTEOSA-N 1 2 370.884 3.983 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccccn2)ccc1Cl ZINC000091701943 933876750 /nfs/dbraw/zinc/87/67/50/933876750.db2.gz WSVDTRDOMCDYRB-INIZCTEOSA-N 1 2 370.884 3.983 20 30 FHEDLO C=CC[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(OC)cc1 ZINC000510893954 933976949 /nfs/dbraw/zinc/97/69/49/933976949.db2.gz MTZAGAHSVAONGV-UHFFFAOYSA-N 1 2 368.521 3.768 20 30 FHEDLO C=CC[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(OC)cc1 ZINC000510893954 933976954 /nfs/dbraw/zinc/97/69/54/933976954.db2.gz MTZAGAHSVAONGV-UHFFFAOYSA-N 1 2 368.521 3.768 20 30 FHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000563030028 933997540 /nfs/dbraw/zinc/99/75/40/933997540.db2.gz DSVZHTBQZNLEFT-KXBFYZLASA-N 1 2 366.465 3.599 20 30 FHEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000176210278 934605479 /nfs/dbraw/zinc/60/54/79/934605479.db2.gz MPJDQENROPTTKS-UHFFFAOYSA-N 1 2 362.882 3.507 20 30 FHEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000176210278 934605481 /nfs/dbraw/zinc/60/54/81/934605481.db2.gz MPJDQENROPTTKS-UHFFFAOYSA-N 1 2 362.882 3.507 20 30 FHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)c1 ZINC000152114922 935227056 /nfs/dbraw/zinc/22/70/56/935227056.db2.gz CAYHIKUMHHAJMT-GOSISDBHSA-N 1 2 372.428 3.535 20 30 FHEDLO N#CCC[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000438842391 945090348 /nfs/dbraw/zinc/09/03/48/945090348.db2.gz RKCMWXYUDAJWQY-FQEVSTJZSA-N 1 2 359.433 3.717 20 30 FHEDLO Cc1oc(C#N)cc1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000437180468 945096001 /nfs/dbraw/zinc/09/60/01/945096001.db2.gz BQGVDJXSLSQWRV-UHFFFAOYSA-N 1 2 368.824 3.652 20 30 FHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCSC[C@H]3c3ccccc3)o2)c1 ZINC000075746223 936011655 /nfs/dbraw/zinc/01/16/55/936011655.db2.gz DMCRDLMEQFAOMS-SFHVURJKSA-N 1 2 362.458 3.898 20 30 FHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCSC[C@H]3c3ccccc3)o2)c1 ZINC000075746223 936011658 /nfs/dbraw/zinc/01/16/58/936011658.db2.gz DMCRDLMEQFAOMS-SFHVURJKSA-N 1 2 362.458 3.898 20 30 FHEDLO CCO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)cs1 ZINC000076719947 936037691 /nfs/dbraw/zinc/03/76/91/936037691.db2.gz WJXGIHCXSBOOBT-INIZCTEOSA-N 1 2 370.522 3.825 20 30 FHEDLO CCO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)cs1 ZINC000076719947 936037694 /nfs/dbraw/zinc/03/76/94/936037694.db2.gz WJXGIHCXSBOOBT-INIZCTEOSA-N 1 2 370.522 3.825 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCc3c1cccc3F)C2 ZINC000329269112 938309111 /nfs/dbraw/zinc/30/91/11/938309111.db2.gz IHVNYAVAWOZWIU-GUYCJALGSA-N 1 2 370.472 3.826 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000507353991 945166574 /nfs/dbraw/zinc/16/65/74/945166574.db2.gz CFSLNLUVZQPKIR-NRFANRHFSA-N 1 2 357.425 3.973 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000507353991 945166579 /nfs/dbraw/zinc/16/65/79/945166579.db2.gz CFSLNLUVZQPKIR-NRFANRHFSA-N 1 2 357.425 3.973 20 30 FHEDLO C=CCC[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000246275540 938353362 /nfs/dbraw/zinc/35/33/62/938353362.db2.gz NAEYINRGQBTNTH-MJGOQNOKSA-N 1 2 352.482 3.805 20 30 FHEDLO C=CCC[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000246275540 938353365 /nfs/dbraw/zinc/35/33/65/938353365.db2.gz NAEYINRGQBTNTH-MJGOQNOKSA-N 1 2 352.482 3.805 20 30 FHEDLO COC(=O)c1cccc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c1C#N ZINC000550008274 945168933 /nfs/dbraw/zinc/16/89/33/945168933.db2.gz MJXMMTMWJYNQHW-UHFFFAOYSA-N 1 2 364.445 3.697 20 30 FHEDLO N#C[C@H]1CC[C@@H](Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)C1 ZINC000278497389 938479425 /nfs/dbraw/zinc/47/94/25/938479425.db2.gz CHGOURYNUZGQSZ-DOTOQJQBSA-N 1 2 353.495 3.647 20 30 FHEDLO N#CCC[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000151290965 938522363 /nfs/dbraw/zinc/52/23/63/938522363.db2.gz JPPPMKUSDCEBGC-IBGZPJMESA-N 1 2 368.506 3.620 20 30 FHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000080922939 938704557 /nfs/dbraw/zinc/70/45/57/938704557.db2.gz YTFHNNTYPMJUHQ-HNNXBMFYSA-N 1 2 369.490 3.714 20 30 FHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000080922939 938704560 /nfs/dbraw/zinc/70/45/60/938704560.db2.gz YTFHNNTYPMJUHQ-HNNXBMFYSA-N 1 2 369.490 3.714 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000584385300 938793301 /nfs/dbraw/zinc/79/33/01/938793301.db2.gz FKNLCWZRVNMDCB-KKSFZXQISA-N 1 2 357.473 3.748 20 30 FHEDLO N#CCCC[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000458800618 938946982 /nfs/dbraw/zinc/94/69/82/938946982.db2.gz LKZQSGRIJVIROQ-ROUUACIJSA-N 1 2 351.454 3.734 20 30 FHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000580841313 940486854 /nfs/dbraw/zinc/48/68/54/940486854.db2.gz LYTKSUXOFDNJMF-FQEVSTJZSA-N 1 2 356.420 3.500 20 30 FHEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000330080444 945348082 /nfs/dbraw/zinc/34/80/82/945348082.db2.gz PCINJYQEJNZVAY-SPEDKVCISA-N 1 2 374.525 3.782 20 30 FHEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000330080444 945348094 /nfs/dbraw/zinc/34/80/94/945348094.db2.gz PCINJYQEJNZVAY-SPEDKVCISA-N 1 2 374.525 3.782 20 30 FHEDLO CC(C)C[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000330089908 945350953 /nfs/dbraw/zinc/35/09/53/945350953.db2.gz WGIRRMMJSGOTBM-HFSMHLIXSA-N 1 2 360.498 3.610 20 30 FHEDLO CC(C)C[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000330089908 945350964 /nfs/dbraw/zinc/35/09/64/945350964.db2.gz WGIRRMMJSGOTBM-HFSMHLIXSA-N 1 2 360.498 3.610 20 30 FHEDLO O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000330089763 945351200 /nfs/dbraw/zinc/35/12/00/945351200.db2.gz OZEBFMFTYJLRCX-UHFFFAOYSA-N 1 2 373.545 3.799 20 30 FHEDLO CCC[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 ZINC000330101235 945357024 /nfs/dbraw/zinc/35/70/24/945357024.db2.gz FISMINKDHUPZHY-HFSMHLIXSA-N 1 2 360.498 3.754 20 30 FHEDLO CCC[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 ZINC000330101235 945357034 /nfs/dbraw/zinc/35/70/34/945357034.db2.gz FISMINKDHUPZHY-HFSMHLIXSA-N 1 2 360.498 3.754 20 30 FHEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000330105117 945358963 /nfs/dbraw/zinc/35/89/63/945358963.db2.gz IDDVRDIADBQGJP-IERDGZPVSA-N 1 2 354.450 3.698 20 30 FHEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000330105117 945358975 /nfs/dbraw/zinc/35/89/75/945358975.db2.gz IDDVRDIADBQGJP-IERDGZPVSA-N 1 2 354.450 3.698 20 30 FHEDLO COc1ccncc1C[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376510187 941096249 /nfs/dbraw/zinc/09/62/49/941096249.db2.gz BWYKHXNGLPHRMK-CYBMUJFWSA-N 1 2 350.447 3.936 20 30 FHEDLO N#Cc1c(F)cccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000376926483 941467705 /nfs/dbraw/zinc/46/77/05/941467705.db2.gz UFKUAZZQNFHLML-UHFFFAOYSA-N 1 2 358.376 3.865 20 30 FHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)c(F)ccc1OCC)C2 ZINC001143493664 941661619 /nfs/dbraw/zinc/66/16/19/941661619.db2.gz LBWLGZSVQPEGKN-YWZLYKJASA-N 1 2 367.436 3.690 20 30 FHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)c(F)ccc1OCC)C2 ZINC001143493664 941661622 /nfs/dbraw/zinc/66/16/22/941661622.db2.gz LBWLGZSVQPEGKN-YWZLYKJASA-N 1 2 367.436 3.690 20 30 FHEDLO C[C@H](c1cccc(NC(=O)/C=C\c2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000729408450 941747726 /nfs/dbraw/zinc/74/77/26/941747726.db2.gz HQWOIWWVAJWHTD-DOOKAGJSSA-N 1 2 361.445 3.603 20 30 FHEDLO Cc1c[nH+]c2cc(C(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)ccn12 ZINC001126390615 941780359 /nfs/dbraw/zinc/78/03/59/941780359.db2.gz VRCITVCBBFTFRT-UHFFFAOYSA-N 1 2 369.384 3.954 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2c(F)cncc2F)c1 ZINC000513247855 941806289 /nfs/dbraw/zinc/80/62/89/941806289.db2.gz XVVDRZYOXAGHCX-HNNXBMFYSA-N 1 2 372.419 3.574 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1c(F)cncc1F ZINC000513266195 941817311 /nfs/dbraw/zinc/81/73/11/941817311.db2.gz JGTDJOCZJUXQNQ-ZJUUUORDSA-N 1 2 364.783 3.563 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000513300721 941843049 /nfs/dbraw/zinc/84/30/49/941843049.db2.gz NEKCZFMRFCHYEG-ZDUSSCGKSA-N 1 2 354.479 3.807 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000513300721 941843054 /nfs/dbraw/zinc/84/30/54/941843054.db2.gz NEKCZFMRFCHYEG-ZDUSSCGKSA-N 1 2 354.479 3.807 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000513301231 941843286 /nfs/dbraw/zinc/84/32/86/941843286.db2.gz SLMMMUKHWXNVRG-UHFFFAOYSA-N 1 2 354.479 3.807 20 30 FHEDLO COc1cccc(C=C2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000472926019 942131572 /nfs/dbraw/zinc/13/15/72/942131572.db2.gz JMLSBJBIUOFHII-VGSWGCGISA-N 1 2 369.509 3.617 20 30 FHEDLO C=CCOc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1Cl ZINC000182052678 942207646 /nfs/dbraw/zinc/20/76/46/942207646.db2.gz DTWIWFPFZRFQCE-UHFFFAOYSA-N 1 2 357.885 3.618 20 30 FHEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1ccsc1 ZINC000421000344 942296842 /nfs/dbraw/zinc/29/68/42/942296842.db2.gz DDGRYZWSDGRBNR-HNNXBMFYSA-N 1 2 362.520 3.865 20 30 FHEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1ccsc1 ZINC000421000344 942296844 /nfs/dbraw/zinc/29/68/44/942296844.db2.gz DDGRYZWSDGRBNR-HNNXBMFYSA-N 1 2 362.520 3.865 20 30 FHEDLO C#CCn1ccc(CN(CCOC)c2cc[nH+]c3cc(F)c(Cl)cc32)n1 ZINC000828039897 942555778 /nfs/dbraw/zinc/55/57/78/942555778.db2.gz BYCMOFDMJZLHDB-UHFFFAOYSA-N 1 2 372.831 3.510 20 30 FHEDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000749811333 942724236 /nfs/dbraw/zinc/72/42/36/942724236.db2.gz ORNNWQRMCKALBD-XMMPIXPASA-N 1 2 362.882 3.612 20 30 FHEDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000749811333 942724238 /nfs/dbraw/zinc/72/42/38/942724238.db2.gz ORNNWQRMCKALBD-XMMPIXPASA-N 1 2 362.882 3.612 20 30 FHEDLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC000421817087 942844032 /nfs/dbraw/zinc/84/40/32/942844032.db2.gz ZVFPGJPAHZGNJX-UHFFFAOYSA-N 1 2 352.413 3.508 20 30 FHEDLO Cc1ccccc1[C@]1(F)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945128 942862538 /nfs/dbraw/zinc/86/25/38/942862538.db2.gz VPVZBYROWIDHSR-UNMCSNQZSA-N 1 2 363.436 3.543 20 30 FHEDLO Cc1ccccc1[C@]1(F)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945128 942862544 /nfs/dbraw/zinc/86/25/44/942862544.db2.gz VPVZBYROWIDHSR-UNMCSNQZSA-N 1 2 363.436 3.543 20 30 FHEDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000434712694 942875710 /nfs/dbraw/zinc/87/57/10/942875710.db2.gz DFUBGKDZCYMESV-QGZVFWFLSA-N 1 2 353.466 3.972 20 30 FHEDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000434712694 942875712 /nfs/dbraw/zinc/87/57/12/942875712.db2.gz DFUBGKDZCYMESV-QGZVFWFLSA-N 1 2 353.466 3.972 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1Cl ZINC000430103334 942915632 /nfs/dbraw/zinc/91/56/32/942915632.db2.gz YWHFHISEUJDAOC-INIZCTEOSA-N 1 2 371.930 3.694 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1Cl ZINC000430103334 942915638 /nfs/dbraw/zinc/91/56/38/942915638.db2.gz YWHFHISEUJDAOC-INIZCTEOSA-N 1 2 371.930 3.694 20 30 FHEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000272608737 943185919 /nfs/dbraw/zinc/18/59/19/943185919.db2.gz MYVICLUHTSIZIG-LJQANCHMSA-N 1 2 372.469 3.872 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccc(Cl)s3)CC2)cc1 ZINC000014482074 943299758 /nfs/dbraw/zinc/29/97/58/943299758.db2.gz OZXZILKDHXCSSR-SOFGYWHQSA-N 1 2 371.893 3.631 20 30 FHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000075300475 943423382 /nfs/dbraw/zinc/42/33/82/943423382.db2.gz GNSJQMSWQCCKNH-FGZHOGPDSA-N 1 2 370.456 3.843 20 30 FHEDLO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000504468296 943633666 /nfs/dbraw/zinc/63/36/66/943633666.db2.gz CUOIMLJJOWNXDC-UHFFFAOYSA-N 1 2 360.417 3.568 20 30 FHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000162448125 943757894 /nfs/dbraw/zinc/75/78/94/943757894.db2.gz QNBJPEQGKAORSZ-MRXNPFEDSA-N 1 2 358.511 3.501 20 30 FHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000162448125 943757901 /nfs/dbraw/zinc/75/79/01/943757901.db2.gz QNBJPEQGKAORSZ-MRXNPFEDSA-N 1 2 358.511 3.501 20 30 FHEDLO C=CCn1cc(C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)nn1 ZINC000424295568 943824062 /nfs/dbraw/zinc/82/40/62/943824062.db2.gz NAIRBBHKZNWJIP-CQSZACIVSA-N 1 2 353.495 3.671 20 30 FHEDLO N#Cc1csc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000506064056 943898806 /nfs/dbraw/zinc/89/88/06/943898806.db2.gz NUAWBOQGNXWAML-UHFFFAOYSA-N 1 2 365.424 3.956 20 30 FHEDLO Cc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000506088784 943990274 /nfs/dbraw/zinc/99/02/74/943990274.db2.gz ZLDLDKYTUIOLQP-UHFFFAOYSA-N 1 2 356.473 3.733 20 30 FHEDLO CC[N@@H+](Cc1ccc(I)c(Cl)c1)C[C@H](C)C#N ZINC000436150994 944075887 /nfs/dbraw/zinc/07/58/87/944075887.db2.gz JWXOTNVKRQZBIA-SNVBAGLBSA-N 1 2 362.642 3.926 20 30 FHEDLO CC[N@H+](Cc1ccc(I)c(Cl)c1)C[C@H](C)C#N ZINC000436150994 944075894 /nfs/dbraw/zinc/07/58/94/944075894.db2.gz JWXOTNVKRQZBIA-SNVBAGLBSA-N 1 2 362.642 3.926 20 30 FHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000425532040 944259178 /nfs/dbraw/zinc/25/91/78/944259178.db2.gz IIALQEWEJPFFBF-CYBMUJFWSA-N 1 2 362.389 3.530 20 30 FHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000425532040 944259183 /nfs/dbraw/zinc/25/91/83/944259183.db2.gz IIALQEWEJPFFBF-CYBMUJFWSA-N 1 2 362.389 3.530 20 30 FHEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425529378 944264866 /nfs/dbraw/zinc/26/48/66/944264866.db2.gz BKZKMLCAZUIRLZ-HNNXBMFYSA-N 1 2 367.449 3.556 20 30 FHEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425529378 944264875 /nfs/dbraw/zinc/26/48/75/944264875.db2.gz BKZKMLCAZUIRLZ-HNNXBMFYSA-N 1 2 367.449 3.556 20 30 FHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000518342617 944301645 /nfs/dbraw/zinc/30/16/45/944301645.db2.gz ALUGDMQQEIEUEG-QFIPXVFZSA-N 1 2 370.456 3.539 20 30 FHEDLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000549998554 944370593 /nfs/dbraw/zinc/37/05/93/944370593.db2.gz HFPJSSCPVGRMLB-BBRMVZONSA-N 1 2 354.281 3.624 20 30 FHEDLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000549998554 944370600 /nfs/dbraw/zinc/37/06/00/944370600.db2.gz HFPJSSCPVGRMLB-BBRMVZONSA-N 1 2 354.281 3.624 20 30 FHEDLO N#Cc1ccccc1CSCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000517639595 944460227 /nfs/dbraw/zinc/46/02/27/944460227.db2.gz GSAPSWGGVLMZBV-UHFFFAOYSA-N 1 2 353.495 3.684 20 30 FHEDLO N#Cc1ccccc1CSCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000517639595 944460231 /nfs/dbraw/zinc/46/02/31/944460231.db2.gz GSAPSWGGVLMZBV-UHFFFAOYSA-N 1 2 353.495 3.684 20 30 FHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCCO1 ZINC000439477647 944660598 /nfs/dbraw/zinc/66/05/98/944660598.db2.gz VDKHXFIVZXMAGD-SFHVURJKSA-N 1 2 372.513 3.531 20 30 FHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCCO1 ZINC000439477647 944660601 /nfs/dbraw/zinc/66/06/01/944660601.db2.gz VDKHXFIVZXMAGD-SFHVURJKSA-N 1 2 372.513 3.531 20 30 FHEDLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000426468009 944896463 /nfs/dbraw/zinc/89/64/63/944896463.db2.gz IPLIINCWHVCJBI-ROUUACIJSA-N 1 2 352.434 3.900 20 30 FHEDLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000426468009 944896468 /nfs/dbraw/zinc/89/64/68/944896468.db2.gz IPLIINCWHVCJBI-ROUUACIJSA-N 1 2 352.434 3.900 20 30 FHEDLO CCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1nccn1CC ZINC001270163658 944970584 /nfs/dbraw/zinc/97/05/84/944970584.db2.gz HWXJWYADEBTQLP-OALUTQOASA-N 1 2 360.546 3.829 20 30 FHEDLO CCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1nccn1CC ZINC001270163658 944970591 /nfs/dbraw/zinc/97/05/91/944970591.db2.gz HWXJWYADEBTQLP-OALUTQOASA-N 1 2 360.546 3.829 20 30 FHEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)c(F)c1 ZINC000507161553 944994365 /nfs/dbraw/zinc/99/43/65/944994365.db2.gz AAVAGOODCKJCMF-UHFFFAOYSA-N 1 2 362.408 3.675 20 30 FHEDLO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCOC2(CCCC2)C1 ZINC000330131554 945370186 /nfs/dbraw/zinc/37/01/86/945370186.db2.gz PUAVXLSSKDDKGW-INIZCTEOSA-N 1 2 355.482 3.700 20 30 FHEDLO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCOC2(CCCC2)C1 ZINC000330131554 945370198 /nfs/dbraw/zinc/37/01/98/945370198.db2.gz PUAVXLSSKDDKGW-INIZCTEOSA-N 1 2 355.482 3.700 20 30 FHEDLO CCc1nnc(C2CC[NH+](CC(=O)N[C@@H]3CCCc4ccccc43)CC2)[nH]1 ZINC000330143884 945375034 /nfs/dbraw/zinc/37/50/34/945375034.db2.gz ZFMRWPIAGCJQFM-GOSISDBHSA-N 1 2 367.497 3.581 20 30 FHEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N[C@@H]3CCCc4ccccc43)CC2)n1 ZINC000330143884 945375048 /nfs/dbraw/zinc/37/50/48/945375048.db2.gz ZFMRWPIAGCJQFM-GOSISDBHSA-N 1 2 367.497 3.581 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(C)CCCNC3=O)n2)C1 ZINC000330155700 945379771 /nfs/dbraw/zinc/37/97/71/945379771.db2.gz YLCVVNCYVARBPQ-PXAZEXFGSA-N 1 2 350.488 3.720 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(C)CCCNC3=O)n2)C1 ZINC000330155700 945379775 /nfs/dbraw/zinc/37/97/75/945379775.db2.gz YLCVVNCYVARBPQ-PXAZEXFGSA-N 1 2 350.488 3.720 20 30 FHEDLO C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000330158302 945380624 /nfs/dbraw/zinc/38/06/24/945380624.db2.gz PYNGXNLMZLCKJR-ZNLUXHQJSA-N 1 2 366.461 3.896 20 30 FHEDLO C[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000330158302 945380629 /nfs/dbraw/zinc/38/06/29/945380629.db2.gz PYNGXNLMZLCKJR-ZNLUXHQJSA-N 1 2 366.461 3.896 20 30 FHEDLO CC(C)(O)[C@H]1CCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330263499 945432918 /nfs/dbraw/zinc/43/29/18/945432918.db2.gz WOUMRXFHBXNHGX-GOSISDBHSA-N 1 2 368.481 3.667 20 30 FHEDLO C[C@H](CCC1CCCCC1)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330319981 945544329 /nfs/dbraw/zinc/54/43/29/945544329.db2.gz DSYOUVOQXTXWSB-SUMDDJOVSA-N 1 2 362.518 3.893 20 30 FHEDLO C#C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccc(Br)cc1 ZINC000894870359 945555650 /nfs/dbraw/zinc/55/56/50/945555650.db2.gz KWENIHLMHOGBRJ-CYBMUJFWSA-N 1 2 354.198 3.584 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCc3ccccc32)CCO1 ZINC000330341603 945632187 /nfs/dbraw/zinc/63/21/87/945632187.db2.gz ZLRQUBRXKYQZJZ-LKUPVBHCSA-N 1 2 353.466 3.891 20 30 FHEDLO CCc1ccc(CC)c(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330344573 945634497 /nfs/dbraw/zinc/63/44/97/945634497.db2.gz DCSATJVYXDGVIB-APWZRJJASA-N 1 2 356.470 3.791 20 30 FHEDLO CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330352012 945656610 /nfs/dbraw/zinc/65/66/10/945656610.db2.gz MYRSLQGYDOQNAQ-CRAIPNDOSA-N 1 2 371.441 3.583 20 30 FHEDLO C[C@H](c1ccccc1)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(N)=O ZINC000123905521 945697706 /nfs/dbraw/zinc/69/77/06/945697706.db2.gz ZUUAKORWDIMBGP-OAHLLOKOSA-N 1 2 360.379 3.605 20 30 FHEDLO C[C@H](c1ccccc1)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(N)=O ZINC000123905521 945697709 /nfs/dbraw/zinc/69/77/09/945697709.db2.gz ZUUAKORWDIMBGP-OAHLLOKOSA-N 1 2 360.379 3.605 20 30 FHEDLO C=CCc1cc(CNc2nc(N)c3ccccc3[nH+]2)cc(OC)c1OC ZINC000301896876 946026015 /nfs/dbraw/zinc/02/60/15/946026015.db2.gz VEDHHGITMQNVMS-UHFFFAOYSA-N 1 2 350.422 3.570 20 30 FHEDLO C[NH+](C)[C@H](CNc1cc(C#N)c2ccccc2n1)c1c(F)cccc1F ZINC000522903237 946083861 /nfs/dbraw/zinc/08/38/61/946083861.db2.gz AHHSOPXVHXURDA-GOSISDBHSA-N 1 2 352.388 3.521 20 30 FHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441056695 946151694 /nfs/dbraw/zinc/15/16/94/946151694.db2.gz PNUSVMOCARNBEY-ZGOJQLDESA-N 1 2 357.473 3.503 20 30 FHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441056695 946151703 /nfs/dbraw/zinc/15/17/03/946151703.db2.gz PNUSVMOCARNBEY-ZGOJQLDESA-N 1 2 357.473 3.503 20 30 FHEDLO COc1cc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)ccc1C#N ZINC000441349727 946501757 /nfs/dbraw/zinc/50/17/57/946501757.db2.gz QCNUOWOKEVJOKE-HNNXBMFYSA-N 1 2 351.233 3.697 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000475316356 946879002 /nfs/dbraw/zinc/87/90/02/946879002.db2.gz CCFCDKURZKWQMK-SFHVURJKSA-N 1 2 351.494 3.895 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000475316356 946879009 /nfs/dbraw/zinc/87/90/09/946879009.db2.gz CCFCDKURZKWQMK-SFHVURJKSA-N 1 2 351.494 3.895 20 30 FHEDLO CCc1nc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)sc1C ZINC000328648798 946965596 /nfs/dbraw/zinc/96/55/96/946965596.db2.gz IHKURYPBLLSEDW-CQSZACIVSA-N 1 2 373.526 3.972 20 30 FHEDLO O=C(Nc1cccc2c1CCO2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328656324 946967188 /nfs/dbraw/zinc/96/71/88/946967188.db2.gz NQMCVMRMPMICHY-OAHLLOKOSA-N 1 2 366.465 3.579 20 30 FHEDLO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000328601537 946978880 /nfs/dbraw/zinc/97/88/80/946978880.db2.gz FQFWRHJJPUTXDI-FGTMMUONSA-N 1 2 358.873 3.779 20 30 FHEDLO O=C(C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)NC1CCCCC1 ZINC000328732573 947026673 /nfs/dbraw/zinc/02/66/73/947026673.db2.gz HFOGSZFANNDSMG-KRWDZBQOSA-N 1 2 362.449 3.515 20 30 FHEDLO O=C(C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)NC1CCCCC1 ZINC000328732573 947026686 /nfs/dbraw/zinc/02/66/86/947026686.db2.gz HFOGSZFANNDSMG-KRWDZBQOSA-N 1 2 362.449 3.515 20 30 FHEDLO Cc1cn2cc(NC(=O)c3sc([C@@H]4CCCOC4)nc3C)ccc2[nH+]1 ZINC000328781738 947044227 /nfs/dbraw/zinc/04/42/27/947044227.db2.gz FWGQEUVNKKFPAT-CYBMUJFWSA-N 1 2 356.451 3.938 20 30 FHEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@H](c1ccccc1)C1CCCC1 ZINC000328850618 947064340 /nfs/dbraw/zinc/06/43/40/947064340.db2.gz WMRHVSSXJBESJA-QWFCFKBJSA-N 1 2 355.482 3.925 20 30 FHEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@H](c1ccccc1)C1CCCC1 ZINC000328850618 947064350 /nfs/dbraw/zinc/06/43/50/947064350.db2.gz WMRHVSSXJBESJA-QWFCFKBJSA-N 1 2 355.482 3.925 20 30 FHEDLO Cc1cn2cc(C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)sc2n1 ZINC000328985580 947134521 /nfs/dbraw/zinc/13/45/21/947134521.db2.gz GPRDMEFBYPGEKL-UHFFFAOYSA-N 1 2 369.494 3.984 20 30 FHEDLO O[C@H](C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000093766612 947152270 /nfs/dbraw/zinc/15/22/70/947152270.db2.gz NZMGSZYVGFVZRJ-CYBMUJFWSA-N 1 2 359.285 3.980 20 30 FHEDLO O[C@H](C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000093766458 947153316 /nfs/dbraw/zinc/15/33/16/947153316.db2.gz YHEZKWCCLVWCAA-CYBMUJFWSA-N 1 2 359.285 3.980 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444719654 947160523 /nfs/dbraw/zinc/16/05/23/947160523.db2.gz ZLRBLCCVLURIJW-QWRGUYRKSA-N 1 2 371.428 3.710 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444719654 947160531 /nfs/dbraw/zinc/16/05/31/947160531.db2.gz ZLRBLCCVLURIJW-QWRGUYRKSA-N 1 2 371.428 3.710 20 30 FHEDLO CC[NH+]=C([O-])Nc1ccc(C)c(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000331221082 947372949 /nfs/dbraw/zinc/37/29/49/947372949.db2.gz YKCNOHJAQCSXMX-GOSISDBHSA-N 1 2 360.502 3.790 20 30 FHEDLO C[C@H]([C@H](C)NC(=O)Nc1cc(Cl)c(Cl)cc1F)[NH+]1CCOCC1 ZINC000331292081 947390720 /nfs/dbraw/zinc/39/07/20/947390720.db2.gz KUTLVPOEQAMDHV-VHSXEESVSA-N 1 2 364.248 3.568 20 30 FHEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC)c1OC ZINC000093872219 947434541 /nfs/dbraw/zinc/43/45/41/947434541.db2.gz TZTILNQQULWALR-RBUKOAKNSA-N 1 2 366.461 3.984 20 30 FHEDLO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC)c1OC ZINC000093872219 947434547 /nfs/dbraw/zinc/43/45/47/947434547.db2.gz TZTILNQQULWALR-RBUKOAKNSA-N 1 2 366.461 3.984 20 30 FHEDLO C=CC(C)(C)CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000458983556 947645264 /nfs/dbraw/zinc/64/52/64/947645264.db2.gz DQUMIJHPBLTOPZ-UHFFFAOYSA-N 1 2 360.889 3.961 20 30 FHEDLO N#Cc1ccc(/C=C/C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278904224 948050145 /nfs/dbraw/zinc/05/01/45/948050145.db2.gz GONPNFOOKPWHRW-CMDGGOBGSA-N 1 2 360.461 3.510 20 30 FHEDLO N#CC1(c2ccc(C(=O)N3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2)CC1 ZINC000279042840 948423932 /nfs/dbraw/zinc/42/39/32/948423932.db2.gz YDNZTJUWEQXXBR-UHFFFAOYSA-N 1 2 374.488 3.794 20 30 FHEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000467426724 948564931 /nfs/dbraw/zinc/56/49/31/948564931.db2.gz HEKMZNGVRIFQCR-UHFFFAOYSA-N 1 2 366.446 3.811 20 30 FHEDLO N#Cc1c(Nc2ccc(N3CCCCC3)[nH+]c2)nc2cc(Cl)ccn21 ZINC000568120736 567883567 /nfs/dbraw/zinc/88/35/67/567883567.db2.gz CDVBQFGZNXSEMR-UHFFFAOYSA-N 1 2 352.829 3.988 20 30 FHEDLO CN(C(=O)NCC(C)(C)CCC#N)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603434657 568100527 /nfs/dbraw/zinc/10/05/27/568100527.db2.gz FVKADGWEZQVKER-INIZCTEOSA-N 1 2 357.433 3.610 20 30 FHEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2(C)C)c(C#N)c1C ZINC000584670957 568143395 /nfs/dbraw/zinc/14/33/95/568143395.db2.gz AJYCJTXJLRMFPF-UHFFFAOYSA-N 1 2 353.491 3.969 20 30 FHEDLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2(C)C)c(C#N)c1C ZINC000584670957 568143398 /nfs/dbraw/zinc/14/33/98/568143398.db2.gz AJYCJTXJLRMFPF-UHFFFAOYSA-N 1 2 353.491 3.969 20 30 FHEDLO N#Cc1ccccc1Oc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000181957597 568262627 /nfs/dbraw/zinc/26/26/27/568262627.db2.gz HIUZAJXFHYDWMH-UHFFFAOYSA-N 1 2 372.428 3.978 20 30 FHEDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cc(Cl)ccc1C#N ZINC000569286249 568333539 /nfs/dbraw/zinc/33/35/39/568333539.db2.gz QBKHIDYYSWEWKF-UHFFFAOYSA-N 1 2 350.809 3.733 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000570024239 568441812 /nfs/dbraw/zinc/44/18/12/568441812.db2.gz ZNLIUGWOUKTNCI-OAHLLOKOSA-N 1 2 366.446 3.667 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000570024239 568441814 /nfs/dbraw/zinc/44/18/14/568441814.db2.gz ZNLIUGWOUKTNCI-OAHLLOKOSA-N 1 2 366.446 3.667 20 30 FHEDLO CC[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C[C@@H](C)C#N ZINC000049982558 568641998 /nfs/dbraw/zinc/64/19/98/568641998.db2.gz TXQKFNXBDVXZLQ-AWEZNQCLSA-N 1 2 359.857 3.698 20 30 FHEDLO CC[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C[C@@H](C)C#N ZINC000049982558 568641999 /nfs/dbraw/zinc/64/19/99/568641999.db2.gz TXQKFNXBDVXZLQ-AWEZNQCLSA-N 1 2 359.857 3.698 20 30 FHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000583032145 936384879 /nfs/dbraw/zinc/38/48/79/936384879.db2.gz BQMCYLWSYLHSNZ-CQSZACIVSA-N 1 2 357.816 3.779 20 30 FHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000583032145 936384884 /nfs/dbraw/zinc/38/48/84/936384884.db2.gz BQMCYLWSYLHSNZ-CQSZACIVSA-N 1 2 357.816 3.779 20 30 FHEDLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000162396706 937088969 /nfs/dbraw/zinc/08/89/69/937088969.db2.gz IKSQOPKEYJNOTN-UHFFFAOYSA-N 1 2 361.511 3.520 20 30 FHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000535946583 937187965 /nfs/dbraw/zinc/18/79/65/937187965.db2.gz PYYDLPAJIMTGLS-FQEVSTJZSA-N 1 2 370.456 3.841 20 30 FHEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c(C#N)c1C ZINC000609194936 929791138 /nfs/dbraw/zinc/79/11/38/929791138.db2.gz RVADNVAERPOMFW-UHFFFAOYSA-N 1 2 373.403 3.864 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC000119151007 930749325 /nfs/dbraw/zinc/74/93/25/930749325.db2.gz CIPYQPUFJMHMCG-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC000119151007 930749332 /nfs/dbraw/zinc/74/93/32/930749332.db2.gz CIPYQPUFJMHMCG-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO Cc1cccn2cc(CCNc3c(C#N)cnc4c(F)cc(F)cc43)[nH+]c12 ZINC000610468875 931377804 /nfs/dbraw/zinc/37/78/04/931377804.db2.gz QDMHQTZOEIJWGJ-UHFFFAOYSA-N 1 2 363.371 3.995 20 30 FHEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc(Br)ccc1Br ZINC000581701319 932523864 /nfs/dbraw/zinc/52/38/64/932523864.db2.gz XOPWPGFBVLWEMW-SNVBAGLBSA-N 1 2 371.076 3.745 20 30 FHEDLO C[C@@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(C#N)cc1 ZINC000581836778 932720793 /nfs/dbraw/zinc/72/07/93/932720793.db2.gz NGTGWNOWTITCOK-SNVBAGLBSA-N 1 2 358.323 3.876 20 30 FHEDLO COc1cc(F)c(F)cc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001143400363 932789334 /nfs/dbraw/zinc/78/93/34/932789334.db2.gz TXQIRVNUDBRKOX-UHFFFAOYSA-N 1 2 358.388 3.888 20 30 FHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cnc4ccc(Cl)cn34)CC2)c1 ZINC000510484247 932874081 /nfs/dbraw/zinc/87/40/81/932874081.db2.gz DKNBOSBRTJVKJC-UHFFFAOYSA-N 1 2 366.852 3.903 20 30 FHEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000891794151 933304802 /nfs/dbraw/zinc/30/48/02/933304802.db2.gz WBGQFFLADVQGFU-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000891794151 933304789 /nfs/dbraw/zinc/30/47/89/933304789.db2.gz WBGQFFLADVQGFU-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO COC(=O)c1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000610682268 933770976 /nfs/dbraw/zinc/77/09/76/933770976.db2.gz KOORWGMLOUVKDA-GHMZBOCLSA-N 1 2 373.268 3.785 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccccn2)ccc1Cl ZINC000091701944 933876770 /nfs/dbraw/zinc/87/67/70/933876770.db2.gz WSVDTRDOMCDYRB-MRXNPFEDSA-N 1 2 370.884 3.983 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccccn2)ccc1Cl ZINC000091701944 933876771 /nfs/dbraw/zinc/87/67/71/933876771.db2.gz WSVDTRDOMCDYRB-MRXNPFEDSA-N 1 2 370.884 3.983 20 30 FHEDLO CC[N@@H+](Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C[C@@H](C)C#N ZINC000091982834 933931532 /nfs/dbraw/zinc/93/15/32/933931532.db2.gz PBIYTHLIUFFDAA-INIZCTEOSA-N 1 2 351.450 3.929 20 30 FHEDLO CC[N@H+](Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C[C@@H](C)C#N ZINC000091982834 933931540 /nfs/dbraw/zinc/93/15/40/933931540.db2.gz PBIYTHLIUFFDAA-INIZCTEOSA-N 1 2 351.450 3.929 20 30 FHEDLO CCOc1c(Br)cc(C[N@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091982572 933931834 /nfs/dbraw/zinc/93/18/34/933931834.db2.gz DKMIEHYEFKCPKZ-GFCCVEGCSA-N 1 2 355.276 3.838 20 30 FHEDLO CCOc1c(Br)cc(C[N@@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091982572 933931839 /nfs/dbraw/zinc/93/18/39/933931839.db2.gz DKMIEHYEFKCPKZ-GFCCVEGCSA-N 1 2 355.276 3.838 20 30 FHEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1cccc2ccccc21 ZINC000510905242 934004470 /nfs/dbraw/zinc/00/44/70/934004470.db2.gz ODSIFFBBIBEFLF-CVEARBPZSA-N 1 2 353.441 3.733 20 30 FHEDLO CC1(C)c2ccc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2NC1=O ZINC000328999195 934082453 /nfs/dbraw/zinc/08/24/53/934082453.db2.gz VHFNUBQIVQSWFK-AWEZNQCLSA-N 1 2 350.422 3.544 20 30 FHEDLO CCOC(=O)C[N@H+](CC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000535797039 934391022 /nfs/dbraw/zinc/39/10/22/934391022.db2.gz BRNGFNWHXYRQID-UHFFFAOYSA-N 1 2 352.434 3.522 20 30 FHEDLO CCOC(=O)C[N@@H+](CC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000535797039 934391031 /nfs/dbraw/zinc/39/10/31/934391031.db2.gz BRNGFNWHXYRQID-UHFFFAOYSA-N 1 2 352.434 3.522 20 30 FHEDLO C=C(C)[C@@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)OCC ZINC000535883781 934698566 /nfs/dbraw/zinc/69/85/66/934698566.db2.gz WLUTXSZCUUNDBG-GOEBONIOSA-N 1 2 351.516 3.685 20 30 FHEDLO C=C(C)[C@@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)OCC ZINC000535883781 934698568 /nfs/dbraw/zinc/69/85/68/934698568.db2.gz WLUTXSZCUUNDBG-GOEBONIOSA-N 1 2 351.516 3.685 20 30 FHEDLO Cc1cnc(C2CC[NH+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)s1 ZINC000277259565 934847743 /nfs/dbraw/zinc/84/77/43/934847743.db2.gz AIXWCDHOZWXROQ-CYBMUJFWSA-N 1 2 372.494 3.740 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)[N@H+](C)C1 ZINC000329027083 934918631 /nfs/dbraw/zinc/91/86/31/934918631.db2.gz VVZVJFFGOQUROT-VYDXJSESSA-N 1 2 371.506 3.723 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)[N@@H+](C)C1 ZINC000329027083 934918633 /nfs/dbraw/zinc/91/86/33/934918633.db2.gz VVZVJFFGOQUROT-VYDXJSESSA-N 1 2 371.506 3.723 20 30 FHEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000157855711 935213162 /nfs/dbraw/zinc/21/31/62/935213162.db2.gz RBHSBSAZHRDWOV-CRAIPNDOSA-N 1 2 367.453 3.657 20 30 FHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCSC(C)(C)C2)c1C#N ZINC000434904829 935266553 /nfs/dbraw/zinc/26/65/53/935266553.db2.gz OVNMHNBVLSDHPD-UHFFFAOYSA-N 1 2 374.554 3.858 20 30 FHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCSC(C)(C)C2)c1C#N ZINC000434904829 935266557 /nfs/dbraw/zinc/26/65/57/935266557.db2.gz OVNMHNBVLSDHPD-UHFFFAOYSA-N 1 2 374.554 3.858 20 30 FHEDLO Cc1cnc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)s1 ZINC000277542244 935506385 /nfs/dbraw/zinc/50/63/85/935506385.db2.gz VLQKGKJSKRKZBD-CQSZACIVSA-N 1 2 354.479 3.530 20 30 FHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCc3ccsc3C2)c1C ZINC000132667492 935524984 /nfs/dbraw/zinc/52/49/84/935524984.db2.gz IIBOGKYYTWTLNU-UHFFFAOYSA-N 1 2 353.491 3.670 20 30 FHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCc3ccsc3C2)c1C ZINC000132667492 935524986 /nfs/dbraw/zinc/52/49/86/935524986.db2.gz IIBOGKYYTWTLNU-UHFFFAOYSA-N 1 2 353.491 3.670 20 30 FHEDLO Cc1nsc(N2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)c1C#N ZINC000562052865 935706577 /nfs/dbraw/zinc/70/65/77/935706577.db2.gz VKAYVLAGQTWNOM-QGZVFWFLSA-N 1 2 358.898 3.786 20 30 FHEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000507292663 945120324 /nfs/dbraw/zinc/12/03/24/945120324.db2.gz NRBLZLVWIYFASY-UHFFFAOYSA-N 1 2 356.267 3.643 20 30 FHEDLO C#CC[N@@H+](CC)Cc1cccc(OCC(F)(F)F)c1Br ZINC001167577650 935750748 /nfs/dbraw/zinc/75/07/48/935750748.db2.gz UTYYWXNZIHDCPO-UHFFFAOYSA-N 1 2 350.178 3.845 20 30 FHEDLO C#CC[N@H+](CC)Cc1cccc(OCC(F)(F)F)c1Br ZINC001167577650 935750750 /nfs/dbraw/zinc/75/07/50/935750750.db2.gz UTYYWXNZIHDCPO-UHFFFAOYSA-N 1 2 350.178 3.845 20 30 FHEDLO CSc1nc(NCc2cc[nH+]c(N)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001167614694 936107485 /nfs/dbraw/zinc/10/74/85/936107485.db2.gz UTBPBGBGCAATOF-UHFFFAOYSA-N 1 2 362.462 3.635 20 30 FHEDLO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000827981090 936110785 /nfs/dbraw/zinc/11/07/85/936110785.db2.gz XBZRSORAHMDCDB-UHFFFAOYSA-N 1 2 370.497 3.565 20 30 FHEDLO Cc1cccc(-c2noc(C[N@H+](C)CCOCc3ccc(C#N)cc3)n2)c1 ZINC000583464501 938264773 /nfs/dbraw/zinc/26/47/73/938264773.db2.gz VDWRFKPFQKCYNV-UHFFFAOYSA-N 1 2 362.433 3.565 20 30 FHEDLO Cc1cccc(-c2noc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)n2)c1 ZINC000583464501 938264776 /nfs/dbraw/zinc/26/47/76/938264776.db2.gz VDWRFKPFQKCYNV-UHFFFAOYSA-N 1 2 362.433 3.565 20 30 FHEDLO C=CCN(CC=C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247080201 938434214 /nfs/dbraw/zinc/43/42/14/938434214.db2.gz VXMIXYNPFUYUBG-IAGOWNOFSA-N 1 2 351.853 3.608 20 30 FHEDLO C=CCN(CC=C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247080201 938434217 /nfs/dbraw/zinc/43/42/17/938434217.db2.gz VXMIXYNPFUYUBG-IAGOWNOFSA-N 1 2 351.853 3.608 20 30 FHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000052916877 938662024 /nfs/dbraw/zinc/66/20/24/938662024.db2.gz MUKOBLZVXGOUJN-LJQANCHMSA-N 1 2 358.532 3.958 20 30 FHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000052916877 938662025 /nfs/dbraw/zinc/66/20/25/938662025.db2.gz MUKOBLZVXGOUJN-LJQANCHMSA-N 1 2 358.532 3.958 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000080922931 938704603 /nfs/dbraw/zinc/70/46/03/938704603.db2.gz YTFHNNTYPMJUHQ-OAHLLOKOSA-N 1 2 369.490 3.714 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000080922931 938704604 /nfs/dbraw/zinc/70/46/04/938704604.db2.gz YTFHNNTYPMJUHQ-OAHLLOKOSA-N 1 2 369.490 3.714 20 30 FHEDLO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000480535095 938970119 /nfs/dbraw/zinc/97/01/19/938970119.db2.gz IGKUJGOZMKSWOQ-UHFFFAOYSA-N 1 2 368.864 3.918 20 30 FHEDLO N#Cc1ccc(CCNc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)cc1 ZINC001167678658 939004918 /nfs/dbraw/zinc/00/49/18/939004918.db2.gz SXYWFTDLOYIHRK-UHFFFAOYSA-N 1 2 366.428 3.856 20 30 FHEDLO CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1cccc3[nH+]ccn31)CC2 ZINC000255659354 939060688 /nfs/dbraw/zinc/06/06/88/939060688.db2.gz NEFUNROTSIRZPM-QBFSEMIESA-N 1 2 350.374 3.625 20 30 FHEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)nnn1-c1cccc(Cl)c1 ZINC000255659922 939061094 /nfs/dbraw/zinc/06/10/94/939061094.db2.gz KBXHBGUXIAWLGZ-HJWRWDBZSA-N 1 2 363.808 3.773 20 30 FHEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000612106451 939062273 /nfs/dbraw/zinc/06/22/73/939062273.db2.gz BGYFAWZSRNUZIZ-GOSISDBHSA-N 1 2 364.331 3.547 20 30 FHEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000612165581 939172440 /nfs/dbraw/zinc/17/24/40/939172440.db2.gz MQKDGMVNQRVILT-UNMCSNQZSA-N 1 2 350.462 3.719 20 30 FHEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000612165581 939172443 /nfs/dbraw/zinc/17/24/43/939172443.db2.gz MQKDGMVNQRVILT-UNMCSNQZSA-N 1 2 350.462 3.719 20 30 FHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCSCc1ccccc1C#N ZINC000179750292 939931032 /nfs/dbraw/zinc/93/10/32/939931032.db2.gz DJTCZRDZTBOMOM-UHFFFAOYSA-N 1 2 366.494 3.798 20 30 FHEDLO N#Cc1c(NCc2ccc(Cn3cc[nH+]c3)cc2)nc2cc(Cl)ccn12 ZINC000580057374 940445482 /nfs/dbraw/zinc/44/54/82/940445482.db2.gz IEZWRWDQTACADP-UHFFFAOYSA-N 1 2 362.824 3.716 20 30 FHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CCC(C#N)CC1 ZINC000057877224 941053987 /nfs/dbraw/zinc/05/39/87/941053987.db2.gz GUCZISVCZMEAHR-OAHLLOKOSA-N 1 2 369.465 3.681 20 30 FHEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)nnn1-c1ccc(F)cc1 ZINC000255928798 941081852 /nfs/dbraw/zinc/08/18/52/941081852.db2.gz PRSNFIXPENVEOT-KTKRTIGZSA-N 1 2 361.380 3.567 20 30 FHEDLO CC(C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(F)c(F)c1 ZINC000180860533 941086082 /nfs/dbraw/zinc/08/60/82/941086082.db2.gz MGGBRJHMMDTAGU-UHFFFAOYSA-N 1 2 354.360 3.911 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000189715149 941266750 /nfs/dbraw/zinc/26/67/50/941266750.db2.gz SJPYGGZYLIYXQN-ROUUACIJSA-N 1 2 374.366 3.542 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000189715149 941266753 /nfs/dbraw/zinc/26/67/53/941266753.db2.gz SJPYGGZYLIYXQN-ROUUACIJSA-N 1 2 374.366 3.542 20 30 FHEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376595399 941283407 /nfs/dbraw/zinc/28/34/07/941283407.db2.gz NEPVFBHOZHNUKQ-GOSISDBHSA-N 1 2 362.477 3.583 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3c(O)cccc3Cl)CC2)cc1 ZINC000122824708 942243726 /nfs/dbraw/zinc/24/37/26/942243726.db2.gz VSBHTWHOSROJHU-UHFFFAOYSA-N 1 2 355.869 3.625 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3c(O)cccc3Cl)CC2)cc1 ZINC000122824708 942243731 /nfs/dbraw/zinc/24/37/31/942243731.db2.gz VSBHTWHOSROJHU-UHFFFAOYSA-N 1 2 355.869 3.625 20 30 FHEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000502452662 942450754 /nfs/dbraw/zinc/45/07/54/942450754.db2.gz XVXZXHLCAAOESL-INIZCTEOSA-N 1 2 354.450 3.678 20 30 FHEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000502452662 942450760 /nfs/dbraw/zinc/45/07/60/942450760.db2.gz XVXZXHLCAAOESL-INIZCTEOSA-N 1 2 354.450 3.678 20 30 FHEDLO CO[C@H](CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000513882266 942574271 /nfs/dbraw/zinc/57/42/71/942574271.db2.gz FKHKQFXPJNCJPF-OAQYLSRUSA-N 1 2 369.896 3.717 20 30 FHEDLO C=CCCOCCCCC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513992370 942654159 /nfs/dbraw/zinc/65/41/59/942654159.db2.gz PXRPGCAQDBIHEQ-SFHVURJKSA-N 1 2 350.890 3.576 20 30 FHEDLO CC(C)Oc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1C#N ZINC000501810334 942676670 /nfs/dbraw/zinc/67/66/70/942676670.db2.gz ZHJUSYGLZDOZRG-UHFFFAOYSA-N 1 2 360.417 3.843 20 30 FHEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945127 942862399 /nfs/dbraw/zinc/86/23/99/942862399.db2.gz VPVZBYROWIDHSR-RBBKRZOGSA-N 1 2 363.436 3.543 20 30 FHEDLO Cc1ccccc1[C@@]1(F)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945127 942862404 /nfs/dbraw/zinc/86/24/04/942862404.db2.gz VPVZBYROWIDHSR-RBBKRZOGSA-N 1 2 363.436 3.543 20 30 FHEDLO N#Cc1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000425229541 943012890 /nfs/dbraw/zinc/01/28/90/943012890.db2.gz QRXHBVHNRUTOGP-UHFFFAOYSA-N 1 2 351.410 3.854 20 30 FHEDLO C=C[C@H](CC(=O)N1CC[NH2+][C@@H](c2ccccc2OC)C1)c1ccccc1 ZINC000505558127 943026627 /nfs/dbraw/zinc/02/66/27/943026627.db2.gz PDFLPYYTPRYXPW-YLJYHZDGSA-N 1 2 350.462 3.528 20 30 FHEDLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(OCC#N)cc1 ZINC000272235754 943119078 /nfs/dbraw/zinc/11/90/78/943119078.db2.gz IOZFHZQYAHXNOU-BRWVUGGUSA-N 1 2 366.465 3.771 20 30 FHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000183824096 943264980 /nfs/dbraw/zinc/26/49/80/943264980.db2.gz NUEBTULJWGRQIZ-CYBMUJFWSA-N 1 2 358.442 3.670 20 30 FHEDLO C=CCCO[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435336220 943338520 /nfs/dbraw/zinc/33/85/20/943338520.db2.gz OYQHRWCVBSXICR-MRXNPFEDSA-N 1 2 361.873 3.547 20 30 FHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000162454794 943811409 /nfs/dbraw/zinc/81/14/09/943811409.db2.gz NVBWTKCGVBHEQZ-INIZCTEOSA-N 1 2 358.511 3.501 20 30 FHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000162454794 943811414 /nfs/dbraw/zinc/81/14/14/943811414.db2.gz NVBWTKCGVBHEQZ-INIZCTEOSA-N 1 2 358.511 3.501 20 30 FHEDLO C=CCn1cc(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)nn1 ZINC000424291708 943822395 /nfs/dbraw/zinc/82/23/95/943822395.db2.gz FGUQNAANXNROEH-INIZCTEOSA-N 1 2 365.250 3.607 20 30 FHEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000515403130 943851386 /nfs/dbraw/zinc/85/13/86/943851386.db2.gz JCUYHEZXDDLJPD-UHFFFAOYSA-N 1 2 351.410 3.854 20 30 FHEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CCOCC1 ZINC000424549135 943969352 /nfs/dbraw/zinc/96/93/52/943969352.db2.gz VPWNLCMXARYGFT-UHFFFAOYSA-N 1 2 370.537 3.827 20 30 FHEDLO Cc1nsc(N2CC[NH+](Cc3cnc4ccc(C)cc4c3)CC2)c1C#N ZINC000584515960 944045734 /nfs/dbraw/zinc/04/57/34/944045734.db2.gz GSZSAXITKYRXJF-UHFFFAOYSA-N 1 2 363.490 3.502 20 30 FHEDLO CC(C)(C)Oc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1C#N ZINC000515783986 944211054 /nfs/dbraw/zinc/21/10/54/944211054.db2.gz ITNDOSWUYQPRKY-UHFFFAOYSA-N 1 2 355.442 3.534 20 30 FHEDLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000549998556 944370363 /nfs/dbraw/zinc/37/03/63/944370363.db2.gz HFPJSSCPVGRMLB-CZUORRHYSA-N 1 2 354.281 3.624 20 30 FHEDLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000549998556 944370369 /nfs/dbraw/zinc/37/03/69/944370369.db2.gz HFPJSSCPVGRMLB-CZUORRHYSA-N 1 2 354.281 3.624 20 30 FHEDLO C=CC1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000111727721 944413013 /nfs/dbraw/zinc/41/30/13/944413013.db2.gz SAHZLZMURRVCJE-CALCHBBNSA-N 1 2 357.498 3.726 20 30 FHEDLO C=CC1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000111727721 944413020 /nfs/dbraw/zinc/41/30/20/944413020.db2.gz SAHZLZMURRVCJE-CALCHBBNSA-N 1 2 357.498 3.726 20 30 FHEDLO C=CC[N@H+](Cc1cc(C(C)(C)C)on1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000516119348 944503764 /nfs/dbraw/zinc/50/37/64/944503764.db2.gz PTNFPULHMMWXDF-HNNXBMFYSA-N 1 2 366.469 3.697 20 30 FHEDLO C=CC[N@@H+](Cc1cc(C(C)(C)C)on1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000516119348 944503767 /nfs/dbraw/zinc/50/37/67/944503767.db2.gz PTNFPULHMMWXDF-HNNXBMFYSA-N 1 2 366.469 3.697 20 30 FHEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000506860885 944692489 /nfs/dbraw/zinc/69/24/89/944692489.db2.gz JENLEYUWWFZJBV-UHFFFAOYSA-N 1 2 374.868 3.984 20 30 FHEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000506860885 944692492 /nfs/dbraw/zinc/69/24/92/944692492.db2.gz JENLEYUWWFZJBV-UHFFFAOYSA-N 1 2 374.868 3.984 20 30 FHEDLO CCCCCCCC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001270134472 944706408 /nfs/dbraw/zinc/70/64/08/944706408.db2.gz MVGKWCRYINZQFA-NRFANRHFSA-N 1 2 361.530 3.569 20 30 FHEDLO CCCCCCCC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001270134472 944706414 /nfs/dbraw/zinc/70/64/14/944706414.db2.gz MVGKWCRYINZQFA-NRFANRHFSA-N 1 2 361.530 3.569 20 30 FHEDLO N#Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)ccc1Cl ZINC000516335681 944736546 /nfs/dbraw/zinc/73/65/46/944736546.db2.gz ZLSILQIFKNMELH-GOSISDBHSA-N 1 2 371.893 3.940 20 30 FHEDLO CCc1nnc(C2CC[NH+](CC(=O)N[C@H]3CCCc4ccccc43)CC2)[nH]1 ZINC000330143885 945375509 /nfs/dbraw/zinc/37/55/09/945375509.db2.gz ZFMRWPIAGCJQFM-SFHVURJKSA-N 1 2 367.497 3.581 20 30 FHEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N[C@H]3CCCc4ccccc43)CC2)n1 ZINC000330143885 945375519 /nfs/dbraw/zinc/37/55/19/945375519.db2.gz ZFMRWPIAGCJQFM-SFHVURJKSA-N 1 2 367.497 3.581 20 30 FHEDLO CC1(C)C[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2ccc(F)cc2O1 ZINC000330153127 945378509 /nfs/dbraw/zinc/37/85/09/945378509.db2.gz MMOZFAGJOWZXSB-INIZCTEOSA-N 1 2 372.444 3.945 20 30 FHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCOC2(CCC2)C1 ZINC000330192654 945396939 /nfs/dbraw/zinc/39/69/39/945396939.db2.gz YAIUYPIAAGCZFE-CQSZACIVSA-N 1 2 364.515 3.557 20 30 FHEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC1=O ZINC000330264430 945432366 /nfs/dbraw/zinc/43/23/66/945432366.db2.gz XYEHTFRWDSRSNG-CYBMUJFWSA-N 1 2 359.495 3.778 20 30 FHEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC1=O ZINC000330264430 945432372 /nfs/dbraw/zinc/43/23/72/945432372.db2.gz XYEHTFRWDSRSNG-CYBMUJFWSA-N 1 2 359.495 3.778 20 30 FHEDLO C[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)Cn1cc[nH+]c1 ZINC000473879375 945573919 /nfs/dbraw/zinc/57/39/19/945573919.db2.gz SYBTUTDVPRUYPL-QGZVFWFLSA-N 1 2 374.444 3.808 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CCO1 ZINC000330333609 945601599 /nfs/dbraw/zinc/60/15/99/945601599.db2.gz PXIGPFAIYXOHCK-DCZASFAJSA-N 1 2 365.477 3.891 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@@H](C)COC ZINC000661243043 945896068 /nfs/dbraw/zinc/89/60/68/945896068.db2.gz IOPKZONAYBBXBY-JTQLQIEISA-N 1 2 372.288 3.584 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@@H](C)COC ZINC000661243043 945896074 /nfs/dbraw/zinc/89/60/74/945896074.db2.gz IOPKZONAYBBXBY-JTQLQIEISA-N 1 2 372.288 3.584 20 30 FHEDLO CCCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000441065260 946161419 /nfs/dbraw/zinc/16/14/19/946161419.db2.gz QRJSGOQCUDUGCH-QGZVFWFLSA-N 1 2 369.509 3.565 20 30 FHEDLO CCCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000441065260 946161429 /nfs/dbraw/zinc/16/14/29/946161429.db2.gz QRJSGOQCUDUGCH-QGZVFWFLSA-N 1 2 369.509 3.565 20 30 FHEDLO CCCC[C@H](CC)CNC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000018925695 946292460 /nfs/dbraw/zinc/29/24/60/946292460.db2.gz SNCRPDKDPFGGTA-SFHVURJKSA-N 1 2 372.582 3.767 20 30 FHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2ccc3c(c2)CCO3)[nH+]1 ZINC001167781995 946456837 /nfs/dbraw/zinc/45/68/37/946456837.db2.gz RIGLXLPTRWCMQS-IHPIMTRISA-N 1 2 371.506 3.818 20 30 FHEDLO COc1cc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)ccc1C#N ZINC000441349728 946501441 /nfs/dbraw/zinc/50/14/41/946501441.db2.gz QCNUOWOKEVJOKE-OAHLLOKOSA-N 1 2 351.233 3.697 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000475321371 946856407 /nfs/dbraw/zinc/85/64/07/946856407.db2.gz TVIRJDCAQXUZAF-UHFFFAOYSA-N 1 2 369.415 3.880 20 30 FHEDLO N#CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCCC1 ZINC000110981895 946879859 /nfs/dbraw/zinc/87/98/59/946879859.db2.gz LQIOKCLKGIQIAI-MRXNPFEDSA-N 1 2 363.864 3.644 20 30 FHEDLO N#CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCCC1 ZINC000110981895 946879871 /nfs/dbraw/zinc/87/98/71/946879871.db2.gz LQIOKCLKGIQIAI-MRXNPFEDSA-N 1 2 363.864 3.644 20 30 FHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@H](CC#N)c2ccccc2)c1C ZINC000475368757 946964232 /nfs/dbraw/zinc/96/42/32/946964232.db2.gz KPZQMFXIYYJRCA-SFHVURJKSA-N 1 2 351.450 3.753 20 30 FHEDLO O=C(Nc1cccc(F)c1F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328657514 946967829 /nfs/dbraw/zinc/96/78/29/946967829.db2.gz PDSKQWAHZHYBDN-ZDUSSCGKSA-N 1 2 360.408 3.923 20 30 FHEDLO COc1cccc(F)c1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328665314 946972482 /nfs/dbraw/zinc/97/24/82/946972482.db2.gz ZCWVVKISUCDJNZ-AWEZNQCLSA-N 1 2 372.444 3.792 20 30 FHEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328763297 947017492 /nfs/dbraw/zinc/01/74/92/947017492.db2.gz ZIXWXXZRNWHZBF-AWEZNQCLSA-N 1 2 370.419 3.688 20 30 FHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000441428075 947089532 /nfs/dbraw/zinc/08/95/32/947089532.db2.gz IZAQJVVZVCRFCN-GOSISDBHSA-N 1 2 369.509 3.592 20 30 FHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000441428075 947089545 /nfs/dbraw/zinc/08/95/45/947089545.db2.gz IZAQJVVZVCRFCN-GOSISDBHSA-N 1 2 369.509 3.592 20 30 FHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000441428149 947089831 /nfs/dbraw/zinc/08/98/31/947089831.db2.gz IZAQJVVZVCRFCN-SFHVURJKSA-N 1 2 369.509 3.592 20 30 FHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000441428149 947089838 /nfs/dbraw/zinc/08/98/38/947089838.db2.gz IZAQJVVZVCRFCN-SFHVURJKSA-N 1 2 369.509 3.592 20 30 FHEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000328943721 947096461 /nfs/dbraw/zinc/09/64/61/947096461.db2.gz AKWSCIBWOQNODT-MWLCHTKSSA-N 1 2 352.797 3.637 20 30 FHEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000328943721 947096473 /nfs/dbraw/zinc/09/64/73/947096473.db2.gz AKWSCIBWOQNODT-MWLCHTKSSA-N 1 2 352.797 3.637 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1cccc(C(C)C)c1 ZINC000328984695 947134132 /nfs/dbraw/zinc/13/41/32/947134132.db2.gz SXXJBIGOSJWUJV-VAMGGRTRSA-N 1 2 360.498 3.914 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1cccc(C(C)C)c1 ZINC000328984695 947134138 /nfs/dbraw/zinc/13/41/38/947134138.db2.gz SXXJBIGOSJWUJV-VAMGGRTRSA-N 1 2 360.498 3.914 20 30 FHEDLO CC1(C)CCC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)[C@H]1C#N ZINC000444720436 947162693 /nfs/dbraw/zinc/16/26/93/947162693.db2.gz PCTJWMJMRSXCME-SFHVURJKSA-N 1 2 352.486 3.525 20 30 FHEDLO CC1(C)CCC[N@H+](CCCCCn2nnc(-c3ccccc3)n2)[C@H]1C#N ZINC000444720436 947162687 /nfs/dbraw/zinc/16/26/87/947162687.db2.gz PCTJWMJMRSXCME-SFHVURJKSA-N 1 2 352.486 3.525 20 30 FHEDLO C=CCOc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301300114 947273244 /nfs/dbraw/zinc/27/32/44/947273244.db2.gz ZMOJNOKOCMAIAK-UHFFFAOYSA-N 1 2 357.417 3.992 20 30 FHEDLO C=CCCC1(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@H]2C)CC1 ZINC000441451967 947512922 /nfs/dbraw/zinc/51/29/22/947512922.db2.gz VEXAKNWUPAFDTJ-GOSISDBHSA-N 1 2 356.510 3.864 20 30 FHEDLO C=CCCC1(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@H]2C)CC1 ZINC000441451967 947512931 /nfs/dbraw/zinc/51/29/31/947512931.db2.gz VEXAKNWUPAFDTJ-GOSISDBHSA-N 1 2 356.510 3.864 20 30 FHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000066953774 947884835 /nfs/dbraw/zinc/88/48/35/947884835.db2.gz IMEFEWNEAXTREN-OAHLLOKOSA-N 1 2 357.483 3.879 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000441488227 947989071 /nfs/dbraw/zinc/98/90/71/947989071.db2.gz HZYZFSUTKXITDE-OAQYLSRUSA-N 1 2 358.445 3.851 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000520523772 948231130 /nfs/dbraw/zinc/23/11/30/948231130.db2.gz GWUWUISYIHEIQB-IFXJQAMLSA-N 1 2 365.880 3.540 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000520523772 948231134 /nfs/dbraw/zinc/23/11/34/948231134.db2.gz GWUWUISYIHEIQB-IFXJQAMLSA-N 1 2 365.880 3.540 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000512149934 948559626 /nfs/dbraw/zinc/55/96/26/948559626.db2.gz UDBYHWZZSIUUMU-QGZVFWFLSA-N 1 2 356.466 3.794 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000512149934 948559632 /nfs/dbraw/zinc/55/96/32/948559632.db2.gz UDBYHWZZSIUUMU-QGZVFWFLSA-N 1 2 356.466 3.794 20 30 FHEDLO CC(C)(C)CN1C(=O)C(C)(C)[NH2+]C12CCC(C#N)(c1ccccc1)CC2 ZINC000602759418 568032527 /nfs/dbraw/zinc/03/25/27/568032527.db2.gz VRTYIQJBSOJRAR-UHFFFAOYSA-N 1 2 353.510 3.975 20 30 FHEDLO COc1ccc(Br)cc1-c1nc(C[NH2+][C@@H](C)CC#N)cs1 ZINC000602860636 568049465 /nfs/dbraw/zinc/04/94/65/568049465.db2.gz CSSMCSSMCGYAAN-JTQLQIEISA-N 1 2 366.284 3.973 20 30 FHEDLO C[NH+](C)[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)c1c(F)cccc1F ZINC000160665076 568076893 /nfs/dbraw/zinc/07/68/93/568076893.db2.gz KGFRZDHVBJXXGS-INIZCTEOSA-N 1 2 363.795 3.523 20 30 FHEDLO Cc1[nH+]c2ccccc2n1Cc1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603248562 568078190 /nfs/dbraw/zinc/07/81/90/568078190.db2.gz DAISUFQWSSHLQL-UHFFFAOYSA-N 1 2 370.460 3.834 20 30 FHEDLO FC(F)C(F)(F)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000603941913 568185136 /nfs/dbraw/zinc/18/51/36/568185136.db2.gz PTAMPWGVDMWEOC-UHFFFAOYSA-N 1 2 358.301 3.723 20 30 FHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000330315599 568236621 /nfs/dbraw/zinc/23/66/21/568236621.db2.gz YVEMNFKKBDEAPI-GVDBMIGSSA-N 1 2 358.486 3.521 20 30 FHEDLO N#Cc1cnn2cc(C[N@H+](CCC(F)(F)F)Cc3ccccc3)cnc12 ZINC000570397664 568482882 /nfs/dbraw/zinc/48/28/82/568482882.db2.gz QLQFGGLLKDOOKN-UHFFFAOYSA-N 1 2 359.355 3.556 20 30 FHEDLO N#Cc1cnn2cc(C[N@@H+](CCC(F)(F)F)Cc3ccccc3)cnc12 ZINC000570397664 568482884 /nfs/dbraw/zinc/48/28/84/568482884.db2.gz QLQFGGLLKDOOKN-UHFFFAOYSA-N 1 2 359.355 3.556 20 30 FHEDLO COc1ccc([C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2nccn2C)cc1 ZINC000570488894 568488050 /nfs/dbraw/zinc/48/80/50/568488050.db2.gz GFOVMMWEVWXONF-RTWAWAEBSA-N 1 2 358.445 3.667 20 30 FHEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000330286175 571327950 /nfs/dbraw/zinc/32/79/50/571327950.db2.gz AGFKBMFTBQDCPB-SFHVURJKSA-N 1 2 353.470 3.950 20 30 FHEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)on1 ZINC000052011263 936314746 /nfs/dbraw/zinc/31/47/46/936314746.db2.gz CNEPMBLHVQAWQY-LJQANCHMSA-N 1 2 366.465 3.684 20 30 FHEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)on1 ZINC000052011263 936314748 /nfs/dbraw/zinc/31/47/48/936314748.db2.gz CNEPMBLHVQAWQY-LJQANCHMSA-N 1 2 366.465 3.684 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126880517 928174862 /nfs/dbraw/zinc/17/48/62/928174862.db2.gz NTQQKXJZTNLENI-QVKFZJNVSA-N 1 2 370.424 3.547 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126880517 928174868 /nfs/dbraw/zinc/17/48/68/928174868.db2.gz NTQQKXJZTNLENI-QVKFZJNVSA-N 1 2 370.424 3.547 20 30 FHEDLO COc1ccccc1C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000052183252 937236725 /nfs/dbraw/zinc/23/67/25/937236725.db2.gz HXPXSUPQOLYNPQ-UHFFFAOYSA-N 1 2 363.461 3.606 20 30 FHEDLO COc1ccccc1C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000052183252 937236728 /nfs/dbraw/zinc/23/67/28/937236728.db2.gz HXPXSUPQOLYNPQ-UHFFFAOYSA-N 1 2 363.461 3.606 20 30 FHEDLO C[C@H](c1ccccc1)[NH+]1CCC(/N=C\c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000254950404 928470803 /nfs/dbraw/zinc/47/08/03/928470803.db2.gz CCZZHWWLXFGNLU-XWCAUFEOSA-N 1 2 353.422 3.945 20 30 FHEDLO COC(=O)c1cccc(C[N@H+](Cc2ccc(OC)cc2)C2CC2)c1C#N ZINC000535981460 937302725 /nfs/dbraw/zinc/30/27/25/937302725.db2.gz ZXYOIHCKLKJNRX-UHFFFAOYSA-N 1 2 350.418 3.518 20 30 FHEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC2)c1C#N ZINC000535981460 937302729 /nfs/dbraw/zinc/30/27/29/937302729.db2.gz ZXYOIHCKLKJNRX-UHFFFAOYSA-N 1 2 350.418 3.518 20 30 FHEDLO C=C(C)[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)c(F)c1 ZINC000275085811 929515080 /nfs/dbraw/zinc/51/50/80/929515080.db2.gz GSDFPHMCSMZUQY-RHSMWYFYSA-N 1 2 360.408 3.894 20 30 FHEDLO C=C(C)[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)c(F)c1 ZINC000275085813 929515354 /nfs/dbraw/zinc/51/53/54/929515354.db2.gz GSDFPHMCSMZUQY-YOEHRIQHSA-N 1 2 360.408 3.894 20 30 FHEDLO Cc1cc(N2CCN(c3cccc(Cl)c3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000610337798 930025994 /nfs/dbraw/zinc/02/59/94/930025994.db2.gz CPTWQOXZNFYFBK-UHFFFAOYSA-N 1 2 355.873 3.760 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1c(F)cccc1F ZINC000610341093 930036338 /nfs/dbraw/zinc/03/63/38/930036338.db2.gz XYADBFVMGUFQEM-CABCVRRESA-N 1 2 357.404 3.951 20 30 FHEDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000580544803 930829905 /nfs/dbraw/zinc/82/99/05/930829905.db2.gz DPPWQUYUQGPLHD-HRAATJIYSA-N 1 2 370.456 3.862 20 30 FHEDLO CC(C)(C)OC(=O)Nc1cc(Nc2cc(C#N)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC001211327281 931163884 /nfs/dbraw/zinc/16/38/84/931163884.db2.gz PBOBKGODTMNTET-UHFFFAOYSA-N 1 2 355.354 3.952 20 30 FHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3cccc4c3OCO4)n2)CC1 ZINC000328782743 932049303 /nfs/dbraw/zinc/04/93/03/932049303.db2.gz GFRHPEVSIGMMDY-UHFFFAOYSA-N 1 2 359.451 3.740 20 30 FHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)c(OC)c1OC ZINC000092646254 934122596 /nfs/dbraw/zinc/12/25/96/934122596.db2.gz JZRDBAGJANNLBQ-UHFFFAOYSA-N 1 2 372.421 3.809 20 30 FHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)c(OC)c1OC ZINC000092646254 934122598 /nfs/dbraw/zinc/12/25/98/934122598.db2.gz JZRDBAGJANNLBQ-UHFFFAOYSA-N 1 2 372.421 3.809 20 30 FHEDLO N#Cc1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(OC(F)F)c1 ZINC000610847162 934509425 /nfs/dbraw/zinc/50/94/25/934509425.db2.gz PFMBTQULIUQADA-UHFFFAOYSA-N 1 2 354.360 3.635 20 30 FHEDLO Cc1cnc(C2CC[NH+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)s1 ZINC000277259569 934847910 /nfs/dbraw/zinc/84/79/10/934847910.db2.gz AIXWCDHOZWXROQ-ZDUSSCGKSA-N 1 2 372.494 3.740 20 30 FHEDLO C=CC[N@@H+](Cc1c(CCCC)oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000511093993 935431644 /nfs/dbraw/zinc/43/16/44/935431644.db2.gz FOXCKFMKSPXASQ-MRXNPFEDSA-N 1 2 361.507 3.951 20 30 FHEDLO C=CC[N@H+](Cc1c(CCCC)oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000511093993 935431647 /nfs/dbraw/zinc/43/16/47/935431647.db2.gz FOXCKFMKSPXASQ-MRXNPFEDSA-N 1 2 361.507 3.951 20 30 FHEDLO N#Cc1ccc(-n2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)n2)c(Cl)c1 ZINC000543849153 935578228 /nfs/dbraw/zinc/57/82/28/935578228.db2.gz NSTXFBFMVYLBJI-UHFFFAOYSA-N 1 2 374.835 3.617 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)cc1OC(F)F ZINC000582447209 935720126 /nfs/dbraw/zinc/72/01/26/935720126.db2.gz AZRQTVAHROWSAD-UHFFFAOYSA-N 1 2 367.392 3.960 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)cc1OC(F)F ZINC000582447209 935720129 /nfs/dbraw/zinc/72/01/29/935720129.db2.gz AZRQTVAHROWSAD-UHFFFAOYSA-N 1 2 367.392 3.960 20 30 FHEDLO Cc1ccc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)[nH+]1 ZINC000479229157 935822745 /nfs/dbraw/zinc/82/27/45/935822745.db2.gz XLDTWXKIPFYSMX-UHFFFAOYSA-N 1 2 368.234 3.696 20 30 FHEDLO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1F ZINC000479522792 935852445 /nfs/dbraw/zinc/85/24/45/935852445.db2.gz BZBHHCMJRHBECJ-ZBEGNZNMSA-N 1 2 368.330 3.980 20 30 FHEDLO COc1ccccc1C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCO1 ZINC000051798912 935890072 /nfs/dbraw/zinc/89/00/72/935890072.db2.gz FWBVDZWOJZLOHF-LJQANCHMSA-N 1 2 354.425 3.887 20 30 FHEDLO COc1ccccc1C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCO1 ZINC000051798912 935890073 /nfs/dbraw/zinc/89/00/73/935890073.db2.gz FWBVDZWOJZLOHF-LJQANCHMSA-N 1 2 354.425 3.887 20 30 FHEDLO C=CC[C@@H]1N(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCCC1(C)C ZINC000548778955 936275989 /nfs/dbraw/zinc/27/59/89/936275989.db2.gz HOKFZUKPTMLUOL-KRWDZBQOSA-N 1 2 353.470 3.925 20 30 FHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000728570231 938290406 /nfs/dbraw/zinc/29/04/06/938290406.db2.gz YYVBLGWQBBYJIF-RDTXWAMCSA-N 1 2 361.461 3.965 20 30 FHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000728570231 938290407 /nfs/dbraw/zinc/29/04/07/938290407.db2.gz YYVBLGWQBBYJIF-RDTXWAMCSA-N 1 2 361.461 3.965 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H](C)COC ZINC000661245339 938435239 /nfs/dbraw/zinc/43/52/39/938435239.db2.gz ZXWDHWLJFHSGJB-LLVKDONJSA-N 1 2 364.795 3.820 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H](C)COC ZINC000661245339 938435240 /nfs/dbraw/zinc/43/52/40/938435240.db2.gz ZXWDHWLJFHSGJB-LLVKDONJSA-N 1 2 364.795 3.820 20 30 FHEDLO N#CCC[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000151290895 938522384 /nfs/dbraw/zinc/52/23/84/938522384.db2.gz JPPPMKUSDCEBGC-LJQANCHMSA-N 1 2 368.506 3.620 20 30 FHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC2(C1)CCCOC2 ZINC000329628514 938551720 /nfs/dbraw/zinc/55/17/20/938551720.db2.gz PWOXJBDGDBOBBB-UHFFFAOYSA-N 1 2 366.465 3.544 20 30 FHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000083423047 938812597 /nfs/dbraw/zinc/81/25/97/938812597.db2.gz ROQYNMNDGZPIGG-LJQANCHMSA-N 1 2 351.837 3.527 20 30 FHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000083423047 938812598 /nfs/dbraw/zinc/81/25/98/938812598.db2.gz ROQYNMNDGZPIGG-LJQANCHMSA-N 1 2 351.837 3.527 20 30 FHEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(OC(F)(F)F)c1 ZINC000128178801 938824325 /nfs/dbraw/zinc/82/43/25/938824325.db2.gz NCPXOLFMZBISJD-UHFFFAOYSA-N 1 2 369.368 3.589 20 30 FHEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(OC(F)(F)F)c1 ZINC000128178801 938824328 /nfs/dbraw/zinc/82/43/28/938824328.db2.gz NCPXOLFMZBISJD-UHFFFAOYSA-N 1 2 369.368 3.589 20 30 FHEDLO Cc1cc(NCc2cn(CCC#N)nc2-c2ccncc2)ccc1[NH+](C)C ZINC000278766006 938844518 /nfs/dbraw/zinc/84/45/18/938844518.db2.gz XWAURPRMXQFKBM-UHFFFAOYSA-N 1 2 360.465 3.845 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@H](C)c2nccs2)c1C#N ZINC000612187945 939221490 /nfs/dbraw/zinc/22/14/90/939221490.db2.gz ZRCSXSITDLIAJP-AWEZNQCLSA-N 1 2 351.479 3.744 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H](C)c2nccs2)c1C#N ZINC000612187945 939221493 /nfs/dbraw/zinc/22/14/93/939221493.db2.gz ZRCSXSITDLIAJP-AWEZNQCLSA-N 1 2 351.479 3.744 20 30 FHEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364536076 939960191 /nfs/dbraw/zinc/96/01/91/939960191.db2.gz HVGUIFRJPIIAMB-AWEZNQCLSA-N 1 2 352.438 3.547 20 30 FHEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364536076 939960194 /nfs/dbraw/zinc/96/01/94/939960194.db2.gz HVGUIFRJPIIAMB-AWEZNQCLSA-N 1 2 352.438 3.547 20 30 FHEDLO C[C@]1(C#N)CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000612321742 939997852 /nfs/dbraw/zinc/99/78/52/939997852.db2.gz CXYFWKLEYLISKZ-OAQYLSRUSA-N 1 2 361.449 3.759 20 30 FHEDLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 ZINC000612346062 940014479 /nfs/dbraw/zinc/01/44/79/940014479.db2.gz CRUAAWWFMNNTOF-UHFFFAOYSA-N 1 2 372.428 3.851 20 30 FHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000612474972 940087332 /nfs/dbraw/zinc/08/73/32/940087332.db2.gz ZRKDRETVSFEMDP-SFHVURJKSA-N 1 2 364.836 3.659 20 30 FHEDLO CCOCCOc1ccc(Br)cc1C[NH2+]CC(C)(C)C#N ZINC000612588253 940164690 /nfs/dbraw/zinc/16/46/90/940164690.db2.gz VCHCDNSLRJPXIT-UHFFFAOYSA-N 1 2 355.276 3.504 20 30 FHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066190341 940329988 /nfs/dbraw/zinc/32/99/88/940329988.db2.gz POOPQXVWMMZQDD-UHFFFAOYSA-N 1 2 373.460 3.864 20 30 FHEDLO N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)c2)c1 ZINC000376180684 940432222 /nfs/dbraw/zinc/43/22/22/940432222.db2.gz IJMOZPJVGHPYGF-GOSISDBHSA-N 1 2 372.428 3.535 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000173197963 940594998 /nfs/dbraw/zinc/59/49/98/940594998.db2.gz QZUYMCKMECCJNU-UHFFFAOYSA-N 1 2 351.475 3.929 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000173197963 940595006 /nfs/dbraw/zinc/59/50/06/940595006.db2.gz QZUYMCKMECCJNU-UHFFFAOYSA-N 1 2 351.475 3.929 20 30 FHEDLO N#CCC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2c(F)cccc21)c1ccccc1 ZINC000376321622 940769200 /nfs/dbraw/zinc/76/92/00/940769200.db2.gz ZUXVAUDXPHEDMV-ROUUACIJSA-N 1 2 358.438 3.679 20 30 FHEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330105118 945359200 /nfs/dbraw/zinc/35/92/00/945359200.db2.gz IDDVRDIADBQGJP-IIBYNOLFSA-N 1 2 354.450 3.698 20 30 FHEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330105118 945359211 /nfs/dbraw/zinc/35/92/11/945359211.db2.gz IDDVRDIADBQGJP-IIBYNOLFSA-N 1 2 354.450 3.698 20 30 FHEDLO CC(C)Oc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC000122125059 941048223 /nfs/dbraw/zinc/04/82/23/941048223.db2.gz KJOMQHUGMTXPFA-UHFFFAOYSA-N 1 2 360.417 3.843 20 30 FHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000376543286 941126994 /nfs/dbraw/zinc/12/69/94/941126994.db2.gz UBCKIDVPEHQAAE-ZDUSSCGKSA-N 1 2 373.254 3.571 20 30 FHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000376543286 941126996 /nfs/dbraw/zinc/12/69/96/941126996.db2.gz UBCKIDVPEHQAAE-ZDUSSCGKSA-N 1 2 373.254 3.571 20 30 FHEDLO CCCc1nc(CO[NH+]=C(N)c2ccc(Br)cc2)cs1 ZINC000782949227 941326403 /nfs/dbraw/zinc/32/64/03/941326403.db2.gz RORQARXVJXCCCK-UHFFFAOYSA-N 1 2 354.273 3.695 20 30 FHEDLO N#Cc1ccc(F)c(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000122252565 941338670 /nfs/dbraw/zinc/33/86/70/941338670.db2.gz WFZGYDBWTZCBEJ-HXUWFJFHSA-N 1 2 351.425 3.541 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000513300719 941843029 /nfs/dbraw/zinc/84/30/29/941843029.db2.gz NEKCZFMRFCHYEG-CYBMUJFWSA-N 1 2 354.479 3.807 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000513300719 941843031 /nfs/dbraw/zinc/84/30/31/941843031.db2.gz NEKCZFMRFCHYEG-CYBMUJFWSA-N 1 2 354.479 3.807 20 30 FHEDLO N#Cc1ccccc1OC1CCC(Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000434098077 942190490 /nfs/dbraw/zinc/19/04/90/942190490.db2.gz OWIVRKCLTCMFBD-UHFFFAOYSA-N 1 2 363.465 3.751 20 30 FHEDLO N#Cc1ccccc1OC1CCC(Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000434098077 942190494 /nfs/dbraw/zinc/19/04/94/942190494.db2.gz OWIVRKCLTCMFBD-UHFFFAOYSA-N 1 2 363.465 3.751 20 30 FHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCCCNc1cccc[nH+]1 ZINC000419610076 942333768 /nfs/dbraw/zinc/33/37/68/942333768.db2.gz ADZSHZPDZMXRNE-LJQANCHMSA-N 1 2 363.465 3.522 20 30 FHEDLO C=CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001269810626 942766195 /nfs/dbraw/zinc/76/61/95/942766195.db2.gz XYWBJRVAXSKQEN-PMACEKPBSA-N 1 2 366.546 3.589 20 30 FHEDLO C=CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001269810626 942766196 /nfs/dbraw/zinc/76/61/96/942766196.db2.gz XYWBJRVAXSKQEN-PMACEKPBSA-N 1 2 366.546 3.589 20 30 FHEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000330201956 942790044 /nfs/dbraw/zinc/79/00/44/942790044.db2.gz YQBKEWCKIDCUHD-HRCADAONSA-N 1 2 372.435 3.939 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccc(C)cc3)C2)c(C#N)c1C ZINC000434754538 942945357 /nfs/dbraw/zinc/94/53/57/942945357.db2.gz UHHRFBFDAKLCAV-OAQYLSRUSA-N 1 2 351.450 3.679 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@](C)(c3ccc(C)cc3)C2)c(C#N)c1C ZINC000434754538 942945378 /nfs/dbraw/zinc/94/53/78/942945378.db2.gz UHHRFBFDAKLCAV-OAQYLSRUSA-N 1 2 351.450 3.679 20 30 FHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000075297094 943148411 /nfs/dbraw/zinc/14/84/11/943148411.db2.gz RDHJCTRJNKLOGF-LEWJYISDSA-N 1 2 356.429 3.784 20 30 FHEDLO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(Br)c1OC ZINC000272489042 943164513 /nfs/dbraw/zinc/16/45/13/943164513.db2.gz BZWWDYBLSHGXPM-UHFFFAOYSA-N 1 2 353.260 3.592 20 30 FHEDLO CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272599242 943183759 /nfs/dbraw/zinc/18/37/59/943183759.db2.gz QQDUNVSUPNFOAA-UHFFFAOYSA-N 1 2 353.422 3.644 20 30 FHEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000053154111 943280923 /nfs/dbraw/zinc/28/09/23/943280923.db2.gz RMAXDNUVNOOANC-INIZCTEOSA-N 1 2 370.522 3.836 20 30 FHEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000053154111 943280927 /nfs/dbraw/zinc/28/09/27/943280927.db2.gz RMAXDNUVNOOANC-INIZCTEOSA-N 1 2 370.522 3.836 20 30 FHEDLO C=CCOc1ccccc1C[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000505664249 943328797 /nfs/dbraw/zinc/32/87/97/943328797.db2.gz RWRQWGDGYJJBBN-UHFFFAOYSA-N 1 2 360.404 3.990 20 30 FHEDLO C=CCOc1ccccc1C[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000505664249 943328800 /nfs/dbraw/zinc/32/88/00/943328800.db2.gz RWRQWGDGYJJBBN-UHFFFAOYSA-N 1 2 360.404 3.990 20 30 FHEDLO N#Cc1cccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000435328364 943332491 /nfs/dbraw/zinc/33/24/91/943332491.db2.gz QZPISYTXUZPDKM-UHFFFAOYSA-N 1 2 364.836 3.751 20 30 FHEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000504582342 943695487 /nfs/dbraw/zinc/69/54/87/943695487.db2.gz LLVYWYNIHAXCFB-SFHVURJKSA-N 1 2 352.478 3.903 20 30 FHEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000504582342 943695491 /nfs/dbraw/zinc/69/54/91/943695491.db2.gz LLVYWYNIHAXCFB-SFHVURJKSA-N 1 2 352.478 3.903 20 30 FHEDLO C=CCN(Cc1c[nH+]cn1CC)Cc1cc(Br)ccc1F ZINC000417755069 943862613 /nfs/dbraw/zinc/86/26/13/943862613.db2.gz WTQQXMFTVHZXES-UHFFFAOYSA-N 1 2 352.251 3.993 20 30 FHEDLO CCCCCCCCCC(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001270238362 943949804 /nfs/dbraw/zinc/94/98/04/943949804.db2.gz SGOYQQZNSRWJTK-UHFFFAOYSA-N 1 2 359.514 3.572 20 30 FHEDLO COc1c(F)cc(F)cc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001143563417 943957946 /nfs/dbraw/zinc/95/79/46/943957946.db2.gz ZCUQKJHHQAEOQZ-UHFFFAOYSA-N 1 2 358.388 3.888 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000500236209 944316025 /nfs/dbraw/zinc/31/60/25/944316025.db2.gz KDQLBHYPWSOLAL-NRFANRHFSA-N 1 2 351.450 3.760 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000500236209 944316035 /nfs/dbraw/zinc/31/60/35/944316035.db2.gz KDQLBHYPWSOLAL-NRFANRHFSA-N 1 2 351.450 3.760 20 30 FHEDLO CC(C)n1ccn(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1=S ZINC000729467184 944440319 /nfs/dbraw/zinc/44/03/19/944440319.db2.gz REXQPKMEKZAAMW-UHFFFAOYSA-N 1 2 356.495 3.973 20 30 FHEDLO Cn1cc([C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)c2ccc(F)cc2)cn1 ZINC000439437595 944614718 /nfs/dbraw/zinc/61/47/18/944614718.db2.gz ZJTAHYFHOPDKFP-IBGZPJMESA-N 1 2 354.816 3.963 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(Cl)c1 ZINC000439443291 944621826 /nfs/dbraw/zinc/62/18/26/944621826.db2.gz ADJHGDPVQFFPRL-KRWDZBQOSA-N 1 2 372.831 3.747 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(Cl)c1 ZINC000439443291 944621830 /nfs/dbraw/zinc/62/18/30/944621830.db2.gz ADJHGDPVQFFPRL-KRWDZBQOSA-N 1 2 372.831 3.747 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000439448800 944630331 /nfs/dbraw/zinc/63/03/31/944630331.db2.gz UCSHFAVQUZAANM-UHFFFAOYSA-N 1 2 371.843 3.699 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000439448800 944630338 /nfs/dbraw/zinc/63/03/38/944630338.db2.gz UCSHFAVQUZAANM-UHFFFAOYSA-N 1 2 371.843 3.699 20 30 FHEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)oc1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000426410955 944725458 /nfs/dbraw/zinc/72/54/58/944725458.db2.gz KNFXAUSPZGZCBH-UHFFFAOYSA-N 1 2 358.394 3.725 20 30 FHEDLO C=CC[N@H+](Cc1cc(C(=O)OC)oc1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000426410955 944725464 /nfs/dbraw/zinc/72/54/64/944725464.db2.gz KNFXAUSPZGZCBH-UHFFFAOYSA-N 1 2 358.394 3.725 20 30 FHEDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000506311942 944885490 /nfs/dbraw/zinc/88/54/90/944885490.db2.gz YWORBHYXEYNKCX-OAQYLSRUSA-N 1 2 364.445 3.665 20 30 FHEDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000506311942 944885492 /nfs/dbraw/zinc/88/54/92/944885492.db2.gz YWORBHYXEYNKCX-OAQYLSRUSA-N 1 2 364.445 3.665 20 30 FHEDLO N#Cc1ccc(CSCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000516529267 944980294 /nfs/dbraw/zinc/98/02/94/944980294.db2.gz YTLYDRCNYQENQB-UHFFFAOYSA-N 1 2 366.421 3.755 20 30 FHEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)c1 ZINC000506687525 944994207 /nfs/dbraw/zinc/99/42/07/944994207.db2.gz MCAQIRNRTQFRGY-UHFFFAOYSA-N 1 2 352.825 3.675 20 30 FHEDLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330133476 945370011 /nfs/dbraw/zinc/37/00/11/945370011.db2.gz REGJXGFAOUTILU-VCBZYWHSSA-N 1 2 364.511 3.655 20 30 FHEDLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330133476 945370021 /nfs/dbraw/zinc/37/00/21/945370021.db2.gz REGJXGFAOUTILU-VCBZYWHSSA-N 1 2 364.511 3.655 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@]2(CCOC2)O1 ZINC000330168055 945384965 /nfs/dbraw/zinc/38/49/65/945384965.db2.gz ZPYIHVOTXNDFRF-QFUCXCTJSA-N 1 2 360.498 3.591 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@]2(CCOC2)O1 ZINC000330168055 945384969 /nfs/dbraw/zinc/38/49/69/945384969.db2.gz ZPYIHVOTXNDFRF-QFUCXCTJSA-N 1 2 360.498 3.591 20 30 FHEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC1=O ZINC000330264431 945432958 /nfs/dbraw/zinc/43/29/58/945432958.db2.gz XYEHTFRWDSRSNG-ZDUSSCGKSA-N 1 2 359.495 3.778 20 30 FHEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC1=O ZINC000330264431 945432975 /nfs/dbraw/zinc/43/29/75/945432975.db2.gz XYEHTFRWDSRSNG-ZDUSSCGKSA-N 1 2 359.495 3.778 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCO1 ZINC000330334091 945602721 /nfs/dbraw/zinc/60/27/21/945602721.db2.gz QIJVANKZSNXZNM-IFIJOSMWSA-N 1 2 372.400 3.511 20 30 FHEDLO C[C@H](C#N)CNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000301476712 945805841 /nfs/dbraw/zinc/80/58/41/945805841.db2.gz BLFUMNNICFFMIT-CYBMUJFWSA-N 1 2 351.479 3.991 20 30 FHEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000519907508 945872780 /nfs/dbraw/zinc/87/27/80/945872780.db2.gz CSLYMQFMNXCVIZ-QRWLVFNGSA-N 1 2 363.461 3.555 20 30 FHEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000519907508 945872793 /nfs/dbraw/zinc/87/27/93/945872793.db2.gz CSLYMQFMNXCVIZ-QRWLVFNGSA-N 1 2 363.461 3.555 20 30 FHEDLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)COc1ccc(C#N)cc1 ZINC000519918241 945895652 /nfs/dbraw/zinc/89/56/52/945895652.db2.gz ITRWHRMJHPLWAB-AWEZNQCLSA-N 1 2 365.260 3.737 20 30 FHEDLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)COc1ccc(C#N)cc1 ZINC000519918241 945895666 /nfs/dbraw/zinc/89/56/66/945895666.db2.gz ITRWHRMJHPLWAB-AWEZNQCLSA-N 1 2 365.260 3.737 20 30 FHEDLO C=CCN(Cc1ccccc1F)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000475108545 946388346 /nfs/dbraw/zinc/38/83/46/946388346.db2.gz KFTHQDAJKWQIIK-UHFFFAOYSA-N 1 2 373.378 3.977 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000186518654 946511723 /nfs/dbraw/zinc/51/17/23/946511723.db2.gz IFSPYAHEBZJHRV-UHFFFAOYSA-N 1 2 353.853 3.606 20 30 FHEDLO COc1ccccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475359641 946942312 /nfs/dbraw/zinc/94/23/12/946942312.db2.gz WQJXDBOECBDJJX-LJQANCHMSA-N 1 2 355.869 3.731 20 30 FHEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000328601538 946979196 /nfs/dbraw/zinc/97/91/96/946979196.db2.gz FQFWRHJJPUTXDI-OKZBNKHCSA-N 1 2 358.873 3.779 20 30 FHEDLO Cc1cn2c([nH+]1)[C@@H](C[NH+]=C([O-])N1CCC(c3ccc(O)cc3)CC1)CCC2 ZINC000328724785 946982244 /nfs/dbraw/zinc/98/22/44/946982244.db2.gz SZJMUMPHUIZCKQ-GOSISDBHSA-N 1 2 368.481 3.568 20 30 FHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCCC1CCCCC1 ZINC000328704073 946997639 /nfs/dbraw/zinc/99/76/39/946997639.db2.gz OPPXXGJTYUAKGL-MOPGFXCFSA-N 1 2 356.514 3.967 20 30 FHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCCC1CCCCC1 ZINC000328704073 946997647 /nfs/dbraw/zinc/99/76/47/946997647.db2.gz OPPXXGJTYUAKGL-MOPGFXCFSA-N 1 2 356.514 3.967 20 30 FHEDLO Cc1[nH+]ccn1C[C@H]1CCCN1C([O-])=[NH+]CC1CC(c2ccccc2)C1 ZINC000328747873 947008478 /nfs/dbraw/zinc/00/84/78/947008478.db2.gz PGIPIOMQGHNWIS-LYBXBRPPSA-N 1 2 352.482 3.764 20 30 FHEDLO CC[C@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328749398 947009305 /nfs/dbraw/zinc/00/93/05/947009305.db2.gz BNKQGCVURANKAZ-RCCFBDPRSA-N 1 2 352.519 3.714 20 30 FHEDLO CC[C@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000328749398 947009318 /nfs/dbraw/zinc/00/93/18/947009318.db2.gz BNKQGCVURANKAZ-RCCFBDPRSA-N 1 2 352.519 3.714 20 30 FHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000121276473 947044740 /nfs/dbraw/zinc/04/47/40/947044740.db2.gz CPKRLSYHYFQKRE-INIZCTEOSA-N 1 2 374.444 3.922 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328791769 947048333 /nfs/dbraw/zinc/04/83/33/947048333.db2.gz MFPMHOGBSPEHCU-LZWOXQAQSA-N 1 2 353.825 3.690 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328791769 947048354 /nfs/dbraw/zinc/04/83/54/947048354.db2.gz MFPMHOGBSPEHCU-LZWOXQAQSA-N 1 2 353.825 3.690 20 30 FHEDLO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000444648020 947067705 /nfs/dbraw/zinc/06/77/05/947067705.db2.gz LYZMRCHXIUTLLP-UHFFFAOYSA-N 1 2 359.495 3.972 20 30 FHEDLO C=CCn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC000508506300 947163888 /nfs/dbraw/zinc/16/38/88/947163888.db2.gz PUDGSZHGOCVVIL-UHFFFAOYSA-N 1 2 373.932 3.737 20 30 FHEDLO C[C@@H]1CN(c2ccc(NCc3ccc(F)c(C#N)c3Cl)c[nH+]2)C[C@@H](C)O1 ZINC000475443305 947258389 /nfs/dbraw/zinc/25/83/89/947258389.db2.gz IZIQXBFALUXKHH-CHWSQXEVSA-N 1 2 374.847 3.971 20 30 FHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(F)c3C#N)n2)C1 ZINC000188192114 947270651 /nfs/dbraw/zinc/27/06/51/947270651.db2.gz IVQAOFLDIDQENQ-LBPRGKRZSA-N 1 2 358.442 3.638 20 30 FHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(F)c3C#N)n2)C1 ZINC000188192114 947270663 /nfs/dbraw/zinc/27/06/63/947270663.db2.gz IVQAOFLDIDQENQ-LBPRGKRZSA-N 1 2 358.442 3.638 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc2c1OCO2 ZINC000093872098 947435973 /nfs/dbraw/zinc/43/59/73/947435973.db2.gz IFJVWJVIBSBDBD-ROUUACIJSA-N 1 2 350.418 3.696 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc2c1OCO2 ZINC000093872098 947435976 /nfs/dbraw/zinc/43/59/76/947435976.db2.gz IFJVWJVIBSBDBD-ROUUACIJSA-N 1 2 350.418 3.696 20 30 FHEDLO C[C@@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000021387700 947528431 /nfs/dbraw/zinc/52/84/31/947528431.db2.gz VTKLBWUZTGRVIE-SNVBAGLBSA-N 1 2 352.221 3.658 20 30 FHEDLO C=CC[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1cccs1 ZINC000053837354 947553993 /nfs/dbraw/zinc/55/39/93/947553993.db2.gz MYRDWPIFSMZNKZ-UHFFFAOYSA-N 1 2 366.433 3.654 20 30 FHEDLO C=CC[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1cccs1 ZINC000053837354 947554001 /nfs/dbraw/zinc/55/40/01/947554001.db2.gz MYRDWPIFSMZNKZ-UHFFFAOYSA-N 1 2 366.433 3.654 20 30 FHEDLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000523860131 947669479 /nfs/dbraw/zinc/66/94/79/947669479.db2.gz CVZDISNEDZTYFR-LJQANCHMSA-N 1 2 371.550 3.770 20 30 FHEDLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000523860131 947669483 /nfs/dbraw/zinc/66/94/83/947669483.db2.gz CVZDISNEDZTYFR-LJQANCHMSA-N 1 2 371.550 3.770 20 30 FHEDLO Cc1cc(C(N)=[NH+]OCc2nnc(-c3cccc(Cl)c3)o2)ccc1F ZINC000106436365 948188610 /nfs/dbraw/zinc/18/86/10/948188610.db2.gz BDFHLCUMVMUJFQ-UHFFFAOYSA-N 1 2 360.776 3.675 20 30 FHEDLO C[C@@H](c1cccc(NC(=O)CCc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000520547420 948262784 /nfs/dbraw/zinc/26/27/84/948262784.db2.gz HMFVVVAUFZXNJS-KRWDZBQOSA-N 1 2 363.461 3.523 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000512181934 948701323 /nfs/dbraw/zinc/70/13/23/948701323.db2.gz RFZHSKKRYZLSAZ-KRWDZBQOSA-N 1 2 356.466 3.794 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000512181934 948701327 /nfs/dbraw/zinc/70/13/27/948701327.db2.gz RFZHSKKRYZLSAZ-KRWDZBQOSA-N 1 2 356.466 3.794 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000512181790 948703368 /nfs/dbraw/zinc/70/33/68/948703368.db2.gz QHKUNDNLDNDFPJ-INIZCTEOSA-N 1 2 372.465 3.576 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000512181790 948703373 /nfs/dbraw/zinc/70/33/73/948703373.db2.gz QHKUNDNLDNDFPJ-INIZCTEOSA-N 1 2 372.465 3.576 20 30 FHEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)n1C(C)C ZINC000017843198 209199397 /nfs/dbraw/zinc/19/93/97/209199397.db2.gz LJIHYHUKSWITDK-UHFFFAOYSA-N 1 2 364.493 3.516 20 30 FHEDLO N#CCCCOc1cccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000602073169 567916427 /nfs/dbraw/zinc/91/64/27/567916427.db2.gz HXOGEUUIAJSLNX-HNNXBMFYSA-N 1 2 366.343 3.698 20 30 FHEDLO N#CCCCOc1cccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000602073872 567916441 /nfs/dbraw/zinc/91/64/41/567916441.db2.gz HXOGEUUIAJSLNX-OAHLLOKOSA-N 1 2 366.343 3.698 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000602868957 568008797 /nfs/dbraw/zinc/00/87/97/568008797.db2.gz LCTGOVWKWSFFNH-LSDHHAIUSA-N 1 2 354.479 3.593 20 30 FHEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C(=O)OC ZINC000602735639 568025932 /nfs/dbraw/zinc/02/59/32/568025932.db2.gz YUMGGOSACLVHAK-IUODEOHRSA-N 1 2 372.387 3.520 20 30 FHEDLO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602973678 568034943 /nfs/dbraw/zinc/03/49/43/568034943.db2.gz DAUCRNSEYDGADD-ABSDTBQOSA-N 1 2 353.491 3.578 20 30 FHEDLO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602973678 568034945 /nfs/dbraw/zinc/03/49/45/568034945.db2.gz DAUCRNSEYDGADD-ABSDTBQOSA-N 1 2 353.491 3.578 20 30 FHEDLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000481600515 568061473 /nfs/dbraw/zinc/06/14/73/568061473.db2.gz AGRCKMUKMJPRNY-NSISKUIASA-N 1 2 352.409 3.837 20 30 FHEDLO N#CC1(C(=O)Nc2nc3c(s2)CC[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000603756566 568150868 /nfs/dbraw/zinc/15/08/68/568150868.db2.gz WGIKVDDZDJVISC-UHFFFAOYSA-N 1 2 366.490 3.724 20 30 FHEDLO N#CC1(C(=O)Nc2nc3c(s2)CC[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000603756566 568150870 /nfs/dbraw/zinc/15/08/70/568150870.db2.gz WGIKVDDZDJVISC-UHFFFAOYSA-N 1 2 366.490 3.724 20 30 FHEDLO COc1ccc2[nH+]c(N3CCCN(c4ccccc4C#N)CC3)ccc2c1 ZINC000603857707 568168815 /nfs/dbraw/zinc/16/88/15/568168815.db2.gz QVQNCGUTKTYVGT-UHFFFAOYSA-N 1 2 358.445 3.832 20 30 FHEDLO C=CCOc1ccc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000604340647 568262107 /nfs/dbraw/zinc/26/21/07/568262107.db2.gz ZIEJCZCNDCRNRY-SFHVURJKSA-N 1 2 360.404 3.562 20 30 FHEDLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1F ZINC000182000593 568373722 /nfs/dbraw/zinc/37/37/22/568373722.db2.gz PTIUEYFUZPRZGI-GFCCVEGCSA-N 1 2 352.369 3.607 20 30 FHEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000604899160 568387861 /nfs/dbraw/zinc/38/78/61/568387861.db2.gz NINGOJROUOMPDS-XJKSGUPXSA-N 1 2 353.869 3.707 20 30 FHEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000604899160 568387862 /nfs/dbraw/zinc/38/78/62/568387862.db2.gz NINGOJROUOMPDS-XJKSGUPXSA-N 1 2 353.869 3.707 20 30 FHEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000569633936 568411284 /nfs/dbraw/zinc/41/12/84/568411284.db2.gz JIMOOHRWKIPDCT-UHFFFAOYSA-N 1 2 373.338 3.654 20 30 FHEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000569633936 568411285 /nfs/dbraw/zinc/41/12/85/568411285.db2.gz JIMOOHRWKIPDCT-UHFFFAOYSA-N 1 2 373.338 3.654 20 30 FHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000570285820 568472832 /nfs/dbraw/zinc/47/28/32/568472832.db2.gz ZLZNTZMMJPBKKS-IAGOWNOFSA-N 1 2 361.283 3.854 20 30 FHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000570285820 568472833 /nfs/dbraw/zinc/47/28/33/568472833.db2.gz ZLZNTZMMJPBKKS-IAGOWNOFSA-N 1 2 361.283 3.854 20 30 FHEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000570442074 568476642 /nfs/dbraw/zinc/47/66/42/568476642.db2.gz DIAYTKJOWJMKSK-CYBMUJFWSA-N 1 2 372.375 3.628 20 30 FHEDLO C=C(C)[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000365341093 568528637 /nfs/dbraw/zinc/52/86/37/568528637.db2.gz DECGDILGHXDNPO-IBGZPJMESA-N 1 2 374.435 3.956 20 30 FHEDLO CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C[C@H](C)C#N ZINC000049982452 568641991 /nfs/dbraw/zinc/64/19/91/568641991.db2.gz IKENYXPENKWFHI-UZLBHIALSA-N 1 2 355.507 3.744 20 30 FHEDLO CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C[C@H](C)C#N ZINC000049982452 568641993 /nfs/dbraw/zinc/64/19/93/568641993.db2.gz IKENYXPENKWFHI-UZLBHIALSA-N 1 2 355.507 3.744 20 30 FHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccc1F ZINC000225537076 571161174 /nfs/dbraw/zinc/16/11/74/571161174.db2.gz VPHQWDDJRXMPHU-GFCCVEGCSA-N 1 2 352.335 3.819 20 30 FHEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccc1F ZINC000225537076 571161176 /nfs/dbraw/zinc/16/11/76/571161176.db2.gz VPHQWDDJRXMPHU-GFCCVEGCSA-N 1 2 352.335 3.819 20 30 FHEDLO C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC1 ZINC001165034734 721872425 /nfs/dbraw/zinc/87/24/25/721872425.db2.gz OLLZTMWABPFVSL-UHFFFAOYSA-N 1 2 364.827 3.650 20 30 FHEDLO C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)CC1 ZINC001165035918 721873780 /nfs/dbraw/zinc/87/37/80/721873780.db2.gz YEPJNAUJJMOKBQ-UHFFFAOYSA-N 1 2 353.800 3.848 20 30 FHEDLO COc1cc(CNc2[nH+]cccc2OCCCC#N)ccc1OC(F)F ZINC000162255115 936367832 /nfs/dbraw/zinc/36/78/32/936367832.db2.gz OKBSJWSUKJFWOQ-UHFFFAOYSA-N 1 2 363.364 3.986 20 30 FHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(Cl)c3Cl)C2)nc1 ZINC000430188922 927706112 /nfs/dbraw/zinc/70/61/12/927706112.db2.gz WCLUDRZCAUAKDR-LBPRGKRZSA-N 1 2 354.262 3.975 20 30 FHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(Cl)c3Cl)C2)nc1 ZINC000430188922 927706118 /nfs/dbraw/zinc/70/61/18/927706118.db2.gz WCLUDRZCAUAKDR-LBPRGKRZSA-N 1 2 354.262 3.975 20 30 FHEDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)o1 ZINC000048043700 927829856 /nfs/dbraw/zinc/82/98/56/927829856.db2.gz TUYKPDSABUKJNB-YJBOKZPZSA-N 1 2 355.482 3.710 20 30 FHEDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)o1 ZINC000048043700 927829871 /nfs/dbraw/zinc/82/98/71/927829871.db2.gz TUYKPDSABUKJNB-YJBOKZPZSA-N 1 2 355.482 3.710 20 30 FHEDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000014923630 928257022 /nfs/dbraw/zinc/25/70/22/928257022.db2.gz LWAUQVMJUDFMDK-ZDUSSCGKSA-N 1 2 357.841 3.679 20 30 FHEDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000014923630 928257037 /nfs/dbraw/zinc/25/70/37/928257037.db2.gz LWAUQVMJUDFMDK-ZDUSSCGKSA-N 1 2 357.841 3.679 20 30 FHEDLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000175761452 928352765 /nfs/dbraw/zinc/35/27/65/928352765.db2.gz ACQJEMDZWLMXCR-ZDUSSCGKSA-N 1 2 362.345 3.570 20 30 FHEDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000430237821 928395518 /nfs/dbraw/zinc/39/55/18/928395518.db2.gz JFJXABLFASZNKG-RTBURBONSA-N 1 2 351.406 3.875 20 30 FHEDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000430237821 928395533 /nfs/dbraw/zinc/39/55/33/928395533.db2.gz JFJXABLFASZNKG-RTBURBONSA-N 1 2 351.406 3.875 20 30 FHEDLO C=CCn1c(SCCCn2cc[nH+]c2)nc2sc(C)c(C)c2c1=O ZINC000180429418 929509800 /nfs/dbraw/zinc/50/98/00/929509800.db2.gz RRYYYGOJFHPUPT-UHFFFAOYSA-N 1 2 360.508 3.640 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000187209955 929544647 /nfs/dbraw/zinc/54/46/47/929544647.db2.gz PVNAZMCTLLTSDA-UHFFFAOYSA-N 1 2 374.916 3.808 20 30 FHEDLO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000187309405 929762487 /nfs/dbraw/zinc/76/24/87/929762487.db2.gz QGRRHSPTZXABJG-HSZRJFAPSA-N 1 2 373.456 3.687 20 30 FHEDLO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000187309405 929762490 /nfs/dbraw/zinc/76/24/90/929762490.db2.gz QGRRHSPTZXABJG-HSZRJFAPSA-N 1 2 373.456 3.687 20 30 FHEDLO C[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610355251 930102261 /nfs/dbraw/zinc/10/22/61/930102261.db2.gz LZIZTPLSQXPHGN-SMTIMMHKSA-N 1 2 374.488 3.660 20 30 FHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000471591894 930830361 /nfs/dbraw/zinc/83/03/61/930830361.db2.gz AXRFEHUMYLRCGZ-UHFFFAOYSA-N 1 2 364.493 3.970 20 30 FHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000580663148 930985215 /nfs/dbraw/zinc/98/52/15/930985215.db2.gz MDOCTXYDUJNESB-UHFFFAOYSA-N 1 2 365.437 3.604 20 30 FHEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)c2)cc1 ZINC000177815565 931178405 /nfs/dbraw/zinc/17/84/05/931178405.db2.gz KWDQIHIQJBHNJX-LJQANCHMSA-N 1 2 372.428 3.852 20 30 FHEDLO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000121265504 931451522 /nfs/dbraw/zinc/45/15/22/931451522.db2.gz GIGOZGGTNONQPV-WMLDXEAASA-N 1 2 368.506 3.984 20 30 FHEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000156806481 931546437 /nfs/dbraw/zinc/54/64/37/931546437.db2.gz FSSWGOKJWOLEQE-BEFAXECRSA-N 1 2 372.490 3.707 20 30 FHEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000156806481 931546443 /nfs/dbraw/zinc/54/64/43/931546443.db2.gz FSSWGOKJWOLEQE-BEFAXECRSA-N 1 2 372.490 3.707 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000187467220 932893552 /nfs/dbraw/zinc/89/35/52/932893552.db2.gz ZUZXPMGQTIIONN-MRXNPFEDSA-N 1 2 365.658 3.797 20 30 FHEDLO CN(c1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1)C1CC[NH+](C)CC1 ZINC000255381319 932957946 /nfs/dbraw/zinc/95/79/46/932957946.db2.gz BUFGHCWWIDFIMX-UHFFFAOYSA-N 1 2 368.437 3.581 20 30 FHEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178355939 933524983 /nfs/dbraw/zinc/52/49/83/933524983.db2.gz NSWGNMULEMSVRU-UHFFFAOYSA-N 1 2 352.397 3.803 20 30 FHEDLO CCOc1cc(C[N@H+](CC)C[C@H](C)C#N)cc(Br)c1OC ZINC000091983426 933767288 /nfs/dbraw/zinc/76/72/88/933767288.db2.gz AVVHAYPSQOGWDW-GFCCVEGCSA-N 1 2 355.276 3.838 20 30 FHEDLO CCOc1cc(C[N@@H+](CC)C[C@H](C)C#N)cc(Br)c1OC ZINC000091983426 933767295 /nfs/dbraw/zinc/76/72/95/933767295.db2.gz AVVHAYPSQOGWDW-GFCCVEGCSA-N 1 2 355.276 3.838 20 30 FHEDLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143412739 933825094 /nfs/dbraw/zinc/82/50/94/933825094.db2.gz FBYWTKNLCSGFAK-HNNXBMFYSA-N 1 2 358.388 3.888 20 30 FHEDLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143412739 933825103 /nfs/dbraw/zinc/82/51/03/933825103.db2.gz FBYWTKNLCSGFAK-HNNXBMFYSA-N 1 2 358.388 3.888 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091895670 933913803 /nfs/dbraw/zinc/91/38/03/933913803.db2.gz YEMYEPJZXBSMKR-INIZCTEOSA-N 1 2 351.425 3.519 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091895670 933913808 /nfs/dbraw/zinc/91/38/08/933913808.db2.gz YEMYEPJZXBSMKR-INIZCTEOSA-N 1 2 351.425 3.519 20 30 FHEDLO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510874333 933921830 /nfs/dbraw/zinc/92/18/30/933921830.db2.gz ZJMCUJDQWFKGCA-IBGZPJMESA-N 1 2 371.500 3.975 20 30 FHEDLO CC[N@@H+](Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C[C@H](C)C#N ZINC000091982838 933931958 /nfs/dbraw/zinc/93/19/58/933931958.db2.gz PBIYTHLIUFFDAA-MRXNPFEDSA-N 1 2 351.450 3.929 20 30 FHEDLO CC[N@H+](Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C[C@H](C)C#N ZINC000091982838 933931960 /nfs/dbraw/zinc/93/19/60/933931960.db2.gz PBIYTHLIUFFDAA-MRXNPFEDSA-N 1 2 351.450 3.929 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000178406133 933965485 /nfs/dbraw/zinc/96/54/85/933965485.db2.gz BCQBIBQUILNOOM-LJQANCHMSA-N 1 2 351.475 3.595 20 30 FHEDLO C=CC[N@@H+](Cc1cccc(-c2ccccc2C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361361 934022869 /nfs/dbraw/zinc/02/28/69/934022869.db2.gz OLAIHMPYUOFWLO-HXUWFJFHSA-N 1 2 355.503 3.837 20 30 FHEDLO C=CC[N@H+](Cc1cccc(-c2ccccc2C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361361 934022879 /nfs/dbraw/zinc/02/28/79/934022879.db2.gz OLAIHMPYUOFWLO-HXUWFJFHSA-N 1 2 355.503 3.837 20 30 FHEDLO C[N@H+](Cc1ccc2ccccc2c1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000014277776 935135713 /nfs/dbraw/zinc/13/57/13/935135713.db2.gz SJJUFURZTITBKY-UHFFFAOYSA-N 1 2 368.440 3.705 20 30 FHEDLO C[N@@H+](Cc1ccc2ccccc2c1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000014277776 935135715 /nfs/dbraw/zinc/13/57/15/935135715.db2.gz SJJUFURZTITBKY-UHFFFAOYSA-N 1 2 368.440 3.705 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000511061799 935186227 /nfs/dbraw/zinc/18/62/27/935186227.db2.gz BNUUQGDHCGUYFT-UHFFFAOYSA-N 1 2 363.461 3.932 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000511061799 935186229 /nfs/dbraw/zinc/18/62/29/935186229.db2.gz BNUUQGDHCGUYFT-UHFFFAOYSA-N 1 2 363.461 3.932 20 30 FHEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2OC)CC1)c1ccccc1 ZINC000427098065 945089688 /nfs/dbraw/zinc/08/96/88/945089688.db2.gz ZLNNAHQCVDLGOV-NRFANRHFSA-N 1 2 364.489 3.699 20 30 FHEDLO C=CC[N@@H+](Cc1c(CCCC)oc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000511093990 935431559 /nfs/dbraw/zinc/43/15/59/935431559.db2.gz FOXCKFMKSPXASQ-INIZCTEOSA-N 1 2 361.507 3.951 20 30 FHEDLO C=CC[N@H+](Cc1c(CCCC)oc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000511093990 935431560 /nfs/dbraw/zinc/43/15/60/935431560.db2.gz FOXCKFMKSPXASQ-INIZCTEOSA-N 1 2 361.507 3.951 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000582329313 935531710 /nfs/dbraw/zinc/53/17/10/935531710.db2.gz KMMVRBWYDUZKBO-UHFFFAOYSA-N 1 2 351.475 3.750 20 30 FHEDLO Cc1csc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C#N ZINC000582494801 935777918 /nfs/dbraw/zinc/77/79/18/935777918.db2.gz JUYBBZZARWPJBV-CQSZACIVSA-N 1 2 369.494 3.873 20 30 FHEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127939323 935851131 /nfs/dbraw/zinc/85/11/31/935851131.db2.gz NLPGXTIHGFBEAX-LJQANCHMSA-N 1 2 374.387 3.612 20 30 FHEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127939323 935851135 /nfs/dbraw/zinc/85/11/35/935851135.db2.gz NLPGXTIHGFBEAX-LJQANCHMSA-N 1 2 374.387 3.612 20 30 FHEDLO N#Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)ccc1C(F)(F)F ZINC000166343189 936159978 /nfs/dbraw/zinc/15/99/78/936159978.db2.gz MYGATONPKVZXJQ-UHFFFAOYSA-N 1 2 366.412 3.746 20 30 FHEDLO N#Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)ccc1C(F)(F)F ZINC000166343189 936159979 /nfs/dbraw/zinc/15/99/79/936159979.db2.gz MYGATONPKVZXJQ-UHFFFAOYSA-N 1 2 366.412 3.746 20 30 FHEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246795218 938402924 /nfs/dbraw/zinc/40/29/24/938402924.db2.gz QPJFTNNVYJAOKL-PKOBYXMFSA-N 1 2 359.491 3.637 20 30 FHEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246795218 938402927 /nfs/dbraw/zinc/40/29/27/938402927.db2.gz QPJFTNNVYJAOKL-PKOBYXMFSA-N 1 2 359.491 3.637 20 30 FHEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246793558 938402986 /nfs/dbraw/zinc/40/29/86/938402986.db2.gz QPJFTNNVYJAOKL-IEBWSBKVSA-N 1 2 359.491 3.637 20 30 FHEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246793558 938402989 /nfs/dbraw/zinc/40/29/89/938402989.db2.gz QPJFTNNVYJAOKL-IEBWSBKVSA-N 1 2 359.491 3.637 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(C#N)c1C ZINC000128151139 938420121 /nfs/dbraw/zinc/42/01/21/938420121.db2.gz XEGVVPDAYRHVJX-QGZVFWFLSA-N 1 2 355.413 3.553 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(C#N)c1C ZINC000128151139 938420123 /nfs/dbraw/zinc/42/01/23/938420123.db2.gz XEGVVPDAYRHVJX-QGZVFWFLSA-N 1 2 355.413 3.553 20 30 FHEDLO CC1(C)CCCc2sc(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)nc21 ZINC000329567424 938490401 /nfs/dbraw/zinc/49/04/01/938490401.db2.gz LBYYZJXNKNEFGI-CYBMUJFWSA-N 1 2 371.510 3.757 20 30 FHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000052916879 938661723 /nfs/dbraw/zinc/66/17/23/938661723.db2.gz MUKOBLZVXGOUJN-IBGZPJMESA-N 1 2 358.532 3.958 20 30 FHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000052916879 938661725 /nfs/dbraw/zinc/66/17/25/938661725.db2.gz MUKOBLZVXGOUJN-IBGZPJMESA-N 1 2 358.532 3.958 20 30 FHEDLO COc1cc(C[NH2+]Cc2nc(C#N)cs2)ccc1OCc1ccccc1 ZINC000584320649 938684834 /nfs/dbraw/zinc/68/48/34/938684834.db2.gz FVOCOLXUNFCNDB-UHFFFAOYSA-N 1 2 365.458 3.892 20 30 FHEDLO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OC)c1OC ZINC000093872220 938931161 /nfs/dbraw/zinc/93/11/61/938931161.db2.gz TZTILNQQULWALR-OALUTQOASA-N 1 2 366.461 3.984 20 30 FHEDLO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OC)c1OC ZINC000093872220 938931163 /nfs/dbraw/zinc/93/11/63/938931163.db2.gz TZTILNQQULWALR-OALUTQOASA-N 1 2 366.461 3.984 20 30 FHEDLO N#CCc1ccc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000544069792 938990465 /nfs/dbraw/zinc/99/04/65/938990465.db2.gz QJXOKJCLWXQOEL-UHFFFAOYSA-N 1 2 361.276 3.777 20 30 FHEDLO Cc1cccc([C@@H](CNc2ncc(Cl)c(C)c2C#N)[NH+]2CCOCC2)c1 ZINC000544069322 938991738 /nfs/dbraw/zinc/99/17/38/938991738.db2.gz VMQCSDPJCRYIOS-LJQANCHMSA-N 1 2 370.884 3.709 20 30 FHEDLO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nccs1 ZINC000185084779 939011895 /nfs/dbraw/zinc/01/18/95/939011895.db2.gz YXJFZLNMHQDJIR-HNNXBMFYSA-N 1 2 362.886 3.784 20 30 FHEDLO Cc1c(C(=O)/C=C\c2cccc3[nH+]ccn32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000255632012 939019048 /nfs/dbraw/zinc/01/90/48/939019048.db2.gz XHDSDPMTIFBRMQ-SREVYHEPSA-N 1 2 366.333 3.664 20 30 FHEDLO CCOc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1[N+](=O)[O-] ZINC000255662133 939063007 /nfs/dbraw/zinc/06/30/07/939063007.db2.gz IFVGJPSVUUHRKW-SREVYHEPSA-N 1 2 351.362 3.846 20 30 FHEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000612165578 939172506 /nfs/dbraw/zinc/17/25/06/939172506.db2.gz MQKDGMVNQRVILT-IFMALSPDSA-N 1 2 350.462 3.719 20 30 FHEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000612165578 939172510 /nfs/dbraw/zinc/17/25/10/939172510.db2.gz MQKDGMVNQRVILT-IFMALSPDSA-N 1 2 350.462 3.719 20 30 FHEDLO CC[NH+](CC)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1cccc(OC)c1 ZINC000255841680 939911789 /nfs/dbraw/zinc/91/17/89/939911789.db2.gz FAPLUUCPEWGGLC-UOIFGXKSSA-N 1 2 371.437 3.811 20 30 FHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000413837013 940175363 /nfs/dbraw/zinc/17/53/63/940175363.db2.gz QDUNHVCOGCRBPG-PMACEKPBSA-N 1 2 366.509 3.572 20 30 FHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000413843119 940176293 /nfs/dbraw/zinc/17/62/93/940176293.db2.gz ZFQGAHPORSWBKE-MISYRCLQSA-N 1 2 352.482 3.663 20 30 FHEDLO Cc1cc(Sc2ccccc2)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000570272722 940225905 /nfs/dbraw/zinc/22/59/05/940225905.db2.gz FSBOVQOKSVPNKI-KRWDZBQOSA-N 1 2 355.507 3.765 20 30 FHEDLO Cc1cc(Sc2ccccc2)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000570272722 940225906 /nfs/dbraw/zinc/22/59/06/940225906.db2.gz FSBOVQOKSVPNKI-KRWDZBQOSA-N 1 2 355.507 3.765 20 30 FHEDLO CC1(C)c2ccccc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000580462824 940478224 /nfs/dbraw/zinc/47/82/24/940478224.db2.gz UEEIKKQIFAVYHL-UHFFFAOYSA-N 1 2 353.853 3.944 20 30 FHEDLO CC1(C)c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000580462824 940478226 /nfs/dbraw/zinc/47/82/26/940478226.db2.gz UEEIKKQIFAVYHL-UHFFFAOYSA-N 1 2 353.853 3.944 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000330083850 945348847 /nfs/dbraw/zinc/34/88/47/945348847.db2.gz BPGBHHYGXAILNB-SPYBWZPUSA-N 1 2 366.889 3.627 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000330083850 945348856 /nfs/dbraw/zinc/34/88/56/945348856.db2.gz BPGBHHYGXAILNB-SPYBWZPUSA-N 1 2 366.889 3.627 20 30 FHEDLO CO[C@@]1(C)CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000330118353 945363904 /nfs/dbraw/zinc/36/39/04/945363904.db2.gz YLAAADNUQNAWDY-SFHVURJKSA-N 1 2 366.531 3.566 20 30 FHEDLO Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc(C[NH+]3CCOCC3)c1)O2 ZINC000330003935 941123998 /nfs/dbraw/zinc/12/39/98/941123998.db2.gz ARBOEAMMYVTRRX-NRFANRHFSA-N 1 2 366.461 3.809 20 30 FHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000189140361 941147270 /nfs/dbraw/zinc/14/72/70/941147270.db2.gz JXYJBCJDALLUGH-MRXNPFEDSA-N 1 2 365.502 3.557 20 30 FHEDLO N#Cc1ccccc1COc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1 ZINC000782888386 941161572 /nfs/dbraw/zinc/16/15/72/941161572.db2.gz WRPZESBEYCVFNV-UHFFFAOYSA-N 1 2 361.401 3.581 20 30 FHEDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000376595515 941283397 /nfs/dbraw/zinc/28/33/97/941283397.db2.gz ODULAQOTLCZGKJ-KRWDZBQOSA-N 1 2 362.477 3.528 20 30 FHEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)cc1 ZINC000549180348 941595923 /nfs/dbraw/zinc/59/59/23/941595923.db2.gz MKTKNMSIHKFSAG-QUCCMNQESA-N 1 2 374.843 3.522 20 30 FHEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)cc1 ZINC000549180348 941595925 /nfs/dbraw/zinc/59/59/25/941595925.db2.gz MKTKNMSIHKFSAG-QUCCMNQESA-N 1 2 374.843 3.522 20 30 FHEDLO C=CCCCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472765300 941715322 /nfs/dbraw/zinc/71/53/22/941715322.db2.gz DNSCDZRFXLSCEF-AEFFLSMTSA-N 1 2 369.431 3.895 20 30 FHEDLO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472765300 941715326 /nfs/dbraw/zinc/71/53/26/941715326.db2.gz DNSCDZRFXLSCEF-AEFFLSMTSA-N 1 2 369.431 3.895 20 30 FHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000513247670 941807095 /nfs/dbraw/zinc/80/70/95/941807095.db2.gz UKHVZIKZKRLHEA-GFCCVEGCSA-N 1 2 363.433 3.927 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000513266194 941817109 /nfs/dbraw/zinc/81/71/09/941817109.db2.gz JGTDJOCZJUXQNQ-VHSXEESVSA-N 1 2 364.783 3.563 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000664252410 942090118 /nfs/dbraw/zinc/09/01/18/942090118.db2.gz NUNLHTQBYWXECE-OTWHNJEPSA-N 1 2 350.466 3.597 20 30 FHEDLO C[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000378093933 942271620 /nfs/dbraw/zinc/27/16/20/942271620.db2.gz IENRTFOLNGZIPJ-HNNXBMFYSA-N 1 2 359.433 3.519 20 30 FHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cnc4ccc(Cl)cn34)CC2)cc1 ZINC000513736941 942310017 /nfs/dbraw/zinc/31/00/17/942310017.db2.gz PQRNEAJKPOWEFP-UHFFFAOYSA-N 1 2 366.852 3.903 20 30 FHEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)C[C@H]1n1cc[nH+]c1 ZINC000330184868 942389423 /nfs/dbraw/zinc/38/94/23/942389423.db2.gz ITGVFWXXCQPEAT-BZUAXINKSA-N 1 2 354.445 3.896 20 30 FHEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000505290842 942449530 /nfs/dbraw/zinc/44/95/30/942449530.db2.gz SHRKMVVBZBBTQU-NRFANRHFSA-N 1 2 365.525 3.637 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502504993 942483250 /nfs/dbraw/zinc/48/32/50/942483250.db2.gz AFIZGDIEDZPUCM-CQSZACIVSA-N 1 2 367.399 3.953 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502504993 942483254 /nfs/dbraw/zinc/48/32/54/942483254.db2.gz AFIZGDIEDZPUCM-CQSZACIVSA-N 1 2 367.399 3.953 20 30 FHEDLO N#Cc1ccc(C2=CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)cc1 ZINC000378356873 942652552 /nfs/dbraw/zinc/65/25/52/942652552.db2.gz PVGPVKWISIHBOY-UHFFFAOYSA-N 1 2 368.440 3.733 20 30 FHEDLO N#Cc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1Oc1ccccc1 ZINC000190134363 942820880 /nfs/dbraw/zinc/82/08/80/942820880.db2.gz BKWCJVWRGAFBTL-HNNXBMFYSA-N 1 2 358.401 3.748 20 30 FHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190186069 942849831 /nfs/dbraw/zinc/84/98/31/942849831.db2.gz NBVPYHMDURMDFG-WFASDCNBSA-N 1 2 353.388 3.796 20 30 FHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190186069 942849834 /nfs/dbraw/zinc/84/98/34/942849834.db2.gz NBVPYHMDURMDFG-WFASDCNBSA-N 1 2 353.388 3.796 20 30 FHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000075297087 943146498 /nfs/dbraw/zinc/14/64/98/943146498.db2.gz RDHJCTRJNKLOGF-SFTDATJTSA-N 1 2 356.429 3.784 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272619628 943187703 /nfs/dbraw/zinc/18/77/03/943187703.db2.gz UNBHNEGJFQGKRX-LBPRGKRZSA-N 1 2 355.360 3.538 20 30 FHEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000425349595 943350547 /nfs/dbraw/zinc/35/05/47/943350547.db2.gz GIXRCDDUEUEYAJ-SECBINFHSA-N 1 2 369.368 3.671 20 30 FHEDLO N#CCCC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000431949547 943638418 /nfs/dbraw/zinc/63/84/18/943638418.db2.gz CMCBDVUWSMCSCP-SFHVURJKSA-N 1 2 351.454 3.618 20 30 FHEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)nn1 ZINC000424299654 943826033 /nfs/dbraw/zinc/82/60/33/943826033.db2.gz VSVJMTGXBZNIQU-SNVBAGLBSA-N 1 2 374.338 3.518 20 30 FHEDLO CC1(C#N)CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000506051210 943831523 /nfs/dbraw/zinc/83/15/23/943831523.db2.gz JGBCQXAZQQGTHT-UHFFFAOYSA-N 1 2 365.271 3.736 20 30 FHEDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000014923633 944079358 /nfs/dbraw/zinc/07/93/58/944079358.db2.gz LWAUQVMJUDFMDK-CYBMUJFWSA-N 1 2 357.841 3.679 20 30 FHEDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000014923633 944079367 /nfs/dbraw/zinc/07/93/67/944079367.db2.gz LWAUQVMJUDFMDK-CYBMUJFWSA-N 1 2 357.841 3.679 20 30 FHEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424765365 944105818 /nfs/dbraw/zinc/10/58/18/944105818.db2.gz SBBDUHOQLSXBTI-WBVHZDCISA-N 1 2 354.416 3.958 20 30 FHEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424765365 944105823 /nfs/dbraw/zinc/10/58/23/944105823.db2.gz SBBDUHOQLSXBTI-WBVHZDCISA-N 1 2 354.416 3.958 20 30 FHEDLO C=C(C)COc1cc(CN2CC[NH+](Cc3ccco3)CC2)ccc1OC ZINC000506136342 944137497 /nfs/dbraw/zinc/13/74/97/944137497.db2.gz JTIHBLXOTCFFRH-UHFFFAOYSA-N 1 2 356.466 3.561 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)NC1(C#N)CCCCC1 ZINC000278830675 944222863 /nfs/dbraw/zinc/22/28/63/944222863.db2.gz DBQIAZQAFDDFAT-MNOVXSKESA-N 1 2 374.432 3.544 20 30 FHEDLO C[C@@H]([NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C(=O)NC1(C#N)CCCCC1 ZINC000278830672 944222918 /nfs/dbraw/zinc/22/29/18/944222918.db2.gz DBQIAZQAFDDFAT-GHMZBOCLSA-N 1 2 374.432 3.544 20 30 FHEDLO CCCCCc1nnc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425534949 944274370 /nfs/dbraw/zinc/27/43/70/944274370.db2.gz MSXHXQNCILSPRS-CQSZACIVSA-N 1 2 371.510 3.774 20 30 FHEDLO CCCCCc1nnc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425534949 944274378 /nfs/dbraw/zinc/27/43/78/944274378.db2.gz MSXHXQNCILSPRS-CQSZACIVSA-N 1 2 371.510 3.774 20 30 FHEDLO Clc1cccc(C#CC[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000438061348 944320623 /nfs/dbraw/zinc/32/06/23/944320623.db2.gz JZSKWCBCEPBGLG-UHFFFAOYSA-N 1 2 368.893 3.518 20 30 FHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000516258520 944649868 /nfs/dbraw/zinc/64/98/68/944649868.db2.gz DLRFNWGRYKVCJL-UHFFFAOYSA-N 1 2 353.416 3.864 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000330156563 945379979 /nfs/dbraw/zinc/37/99/79/945379979.db2.gz OVHCYNWTHMDVAY-IAGYGMIVSA-N 1 2 360.498 3.535 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000330156563 945379986 /nfs/dbraw/zinc/37/99/86/945379986.db2.gz OVHCYNWTHMDVAY-IAGYGMIVSA-N 1 2 360.498 3.535 20 30 FHEDLO CC[C@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCCO1 ZINC000330250231 945425064 /nfs/dbraw/zinc/42/50/64/945425064.db2.gz MWSWBKKXVZPQHB-RBUKOAKNSA-N 1 2 368.481 3.979 20 30 FHEDLO O=C(NC[C@H]1CCC(F)(F)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330267135 945434180 /nfs/dbraw/zinc/43/41/80/945434180.db2.gz HYOMBZWOYYAHTF-AWEZNQCLSA-N 1 2 366.456 3.748 20 30 FHEDLO CC(C)c1ccc2c(c1)[C@H]([NH+]=C([O-])N1CC[C@@H](c3[nH+]ccn3C)C1)CC2 ZINC000330278696 945441729 /nfs/dbraw/zinc/44/17/29/945441729.db2.gz PZJWINOUKRAMMQ-IEBWSBKVSA-N 1 2 352.482 3.934 20 30 FHEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC2(CCCC2)c2c1cccc2F ZINC000330285657 945446514 /nfs/dbraw/zinc/44/65/14/945446514.db2.gz ZFKYPBBYLNFFLO-AWEZNQCLSA-N 1 2 354.429 3.583 20 30 FHEDLO Cc1cnc(C2CC[NH+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)s1 ZINC000330324809 945564818 /nfs/dbraw/zinc/56/48/18/945564818.db2.gz ITYSOJUGQMEIRV-CQSZACIVSA-N 1 2 361.515 3.658 20 30 FHEDLO C=CCC[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000440853917 945984973 /nfs/dbraw/zinc/98/49/73/945984973.db2.gz ZFNRBBFQANMQRB-MRXNPFEDSA-N 1 2 366.387 3.909 20 30 FHEDLO N#CCC1(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)CC1 ZINC000594884095 946160584 /nfs/dbraw/zinc/16/05/84/946160584.db2.gz UNUMNJCDGDFVRO-UHFFFAOYSA-N 1 2 353.495 3.649 20 30 FHEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101864436 946502854 /nfs/dbraw/zinc/50/28/54/946502854.db2.gz PRSVJVGHEUCPIF-UHFFFAOYSA-N 1 2 356.429 3.899 20 30 FHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000186200929 946600493 /nfs/dbraw/zinc/60/04/93/946600493.db2.gz ZCQHOYLWXYDXDA-UHFFFAOYSA-N 1 2 371.843 3.617 20 30 FHEDLO Cc1ccc(C)c(N2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)c1 ZINC000164576043 946811297 /nfs/dbraw/zinc/81/12/97/946811297.db2.gz JGAIVAVXHJJMIO-UHFFFAOYSA-N 1 2 373.460 3.547 20 30 FHEDLO N#CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCCC1 ZINC000110981892 946880054 /nfs/dbraw/zinc/88/00/54/946880054.db2.gz LQIOKCLKGIQIAI-INIZCTEOSA-N 1 2 363.864 3.644 20 30 FHEDLO N#CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCCC1 ZINC000110981892 946880068 /nfs/dbraw/zinc/88/00/68/946880068.db2.gz LQIOKCLKGIQIAI-INIZCTEOSA-N 1 2 363.864 3.644 20 30 FHEDLO CCc1nc(C)c(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000328643982 946962399 /nfs/dbraw/zinc/96/23/99/946962399.db2.gz FQQRZHGGQRKJBL-AWEZNQCLSA-N 1 2 373.526 3.972 20 30 FHEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@@H]1Cc1cccc(F)c1)CCC2 ZINC000328657997 946968308 /nfs/dbraw/zinc/96/83/08/946968308.db2.gz QEYQUEGKEJANCC-PKOBYXMFSA-N 1 2 370.472 3.829 20 30 FHEDLO CC[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000328748918 947008707 /nfs/dbraw/zinc/00/87/07/947008707.db2.gz BJRXCHVEGRLFMK-QAPCUYQASA-N 1 2 360.502 3.506 20 30 FHEDLO CC[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000328748918 947008718 /nfs/dbraw/zinc/00/87/18/947008718.db2.gz BJRXCHVEGRLFMK-QAPCUYQASA-N 1 2 360.502 3.506 20 30 FHEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328728903 947024982 /nfs/dbraw/zinc/02/49/82/947024982.db2.gz FEICICGCHOSGJA-ZDUSSCGKSA-N 1 2 358.408 3.679 20 30 FHEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328728903 947024991 /nfs/dbraw/zinc/02/49/91/947024991.db2.gz FEICICGCHOSGJA-ZDUSSCGKSA-N 1 2 358.408 3.679 20 30 FHEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)n1cccn1 ZINC000328876575 947079105 /nfs/dbraw/zinc/07/91/05/947079105.db2.gz ZVGSVMHLOZDYLM-HFBAOOFYSA-N 1 2 350.825 3.639 20 30 FHEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)n1cccn1 ZINC000328876575 947079115 /nfs/dbraw/zinc/07/91/15/947079115.db2.gz ZVGSVMHLOZDYLM-HFBAOOFYSA-N 1 2 350.825 3.639 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000328997024 947138487 /nfs/dbraw/zinc/13/84/87/947138487.db2.gz WRMBBTQHFQDATJ-VAMGGRTRSA-N 1 2 372.509 3.538 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000328997024 947138497 /nfs/dbraw/zinc/13/84/97/947138497.db2.gz WRMBBTQHFQDATJ-VAMGGRTRSA-N 1 2 372.509 3.538 20 30 FHEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444792000 947232384 /nfs/dbraw/zinc/23/23/84/947232384.db2.gz CGZPMSBPZLXNES-SFHVURJKSA-N 1 2 358.873 3.523 20 30 FHEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444792000 947232391 /nfs/dbraw/zinc/23/23/91/947232391.db2.gz CGZPMSBPZLXNES-SFHVURJKSA-N 1 2 358.873 3.523 20 30 FHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000523425101 947235657 /nfs/dbraw/zinc/23/56/57/947235657.db2.gz CJMPRODEWJDMOD-UHFFFAOYSA-N 1 2 350.422 3.871 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184412441 947307079 /nfs/dbraw/zinc/30/70/79/947307079.db2.gz SLLXFORDBHUYPX-OLZOCXBDSA-N 1 2 360.508 3.684 20 30 FHEDLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872336 947428641 /nfs/dbraw/zinc/42/86/41/947428641.db2.gz JLYLXMZLGZENPV-OALUTQOASA-N 1 2 366.461 3.984 20 30 FHEDLO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872336 947428642 /nfs/dbraw/zinc/42/86/42/947428642.db2.gz JLYLXMZLGZENPV-OALUTQOASA-N 1 2 366.461 3.984 20 30 FHEDLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000523860129 947669782 /nfs/dbraw/zinc/66/97/82/947669782.db2.gz CVZDISNEDZTYFR-IBGZPJMESA-N 1 2 371.550 3.770 20 30 FHEDLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000523860129 947669788 /nfs/dbraw/zinc/66/97/88/947669788.db2.gz CVZDISNEDZTYFR-IBGZPJMESA-N 1 2 371.550 3.770 20 30 FHEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000105032130 947775085 /nfs/dbraw/zinc/77/50/85/947775085.db2.gz ZORAVRBMPUSWML-CYBMUJFWSA-N 1 2 357.429 3.787 20 30 FHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000162933353 947941361 /nfs/dbraw/zinc/94/13/61/947941361.db2.gz XSXKNHGJLGYTMH-OAHLLOKOSA-N 1 2 358.511 3.965 20 30 FHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000162933353 947941366 /nfs/dbraw/zinc/94/13/66/947941366.db2.gz XSXKNHGJLGYTMH-OAHLLOKOSA-N 1 2 358.511 3.965 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(C#N)CC1 ZINC000057907656 948109400 /nfs/dbraw/zinc/10/94/00/948109400.db2.gz VESPSQPFLZSOCQ-SNVBAGLBSA-N 1 2 359.779 3.921 20 30 FHEDLO CC(C)C[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(C#N)cc1 ZINC000441526484 948219505 /nfs/dbraw/zinc/21/95/05/948219505.db2.gz SJRRZXHPAIQOOM-UHFFFAOYSA-N 1 2 352.360 3.704 20 30 FHEDLO CC(C)C[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(C#N)cc1 ZINC000441526484 948219515 /nfs/dbraw/zinc/21/95/15/948219515.db2.gz SJRRZXHPAIQOOM-UHFFFAOYSA-N 1 2 352.360 3.704 20 30 FHEDLO N#Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1Cl ZINC000585709612 948226938 /nfs/dbraw/zinc/22/69/38/948226938.db2.gz CVULUFKMQUSJLQ-UHFFFAOYSA-N 1 2 367.752 3.558 20 30 FHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1=S ZINC000163043514 948269498 /nfs/dbraw/zinc/26/94/98/948269498.db2.gz RJGUEXRHWQWGKJ-CALCHBBNSA-N 1 2 355.511 3.742 20 30 FHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1=S ZINC000163043514 948269506 /nfs/dbraw/zinc/26/95/06/948269506.db2.gz RJGUEXRHWQWGKJ-CALCHBBNSA-N 1 2 355.511 3.742 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC)c3)C2)cc1OC ZINC000093079960 948484620 /nfs/dbraw/zinc/48/46/20/948484620.db2.gz CXIFAVMPKSFQHH-QFIPXVFZSA-N 1 2 369.461 3.842 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC)c3)C2)cc1OC ZINC000093079960 948484626 /nfs/dbraw/zinc/48/46/26/948484626.db2.gz CXIFAVMPKSFQHH-QFIPXVFZSA-N 1 2 369.461 3.842 20 30 FHEDLO CCOc1c(Br)cc(Br)cc1C[NH2+]CCC#N ZINC000034992734 208116826 /nfs/dbraw/zinc/11/68/26/208116826.db2.gz STWCWDWZXWTVJC-UHFFFAOYSA-N 1 2 362.065 3.614 20 30 FHEDLO COc1cc(Cl)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1OC ZINC000602649881 568004919 /nfs/dbraw/zinc/00/49/19/568004919.db2.gz BKDTYWVCFDWHMR-UHFFFAOYSA-N 1 2 371.868 3.810 20 30 FHEDLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000481692309 568089224 /nfs/dbraw/zinc/08/92/24/568089224.db2.gz JWCPYFMIOCPMAF-NSISKUIASA-N 1 2 352.409 3.837 20 30 FHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000026466860 568248432 /nfs/dbraw/zinc/24/84/32/568248432.db2.gz NACJGAIHJHXBME-UHFFFAOYSA-N 1 2 358.445 3.531 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000026466860 568248433 /nfs/dbraw/zinc/24/84/33/568248433.db2.gz NACJGAIHJHXBME-UHFFFAOYSA-N 1 2 358.445 3.531 20 30 FHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c(C#N)c1C ZINC000330959761 568277342 /nfs/dbraw/zinc/27/73/42/568277342.db2.gz IXTDPALHMUZZSV-LBPRGKRZSA-N 1 2 359.417 3.838 20 30 FHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c(C#N)c1C ZINC000330959761 568277344 /nfs/dbraw/zinc/27/73/44/568277344.db2.gz IXTDPALHMUZZSV-LBPRGKRZSA-N 1 2 359.417 3.838 20 30 FHEDLO N#CCCN(c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)C1CCCC1 ZINC001165018451 721835559 /nfs/dbraw/zinc/83/55/59/721835559.db2.gz QQKDXRCOMXSWRU-UHFFFAOYSA-N 1 2 361.493 3.698 20 30 FHEDLO N#CCCN(c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)C1CCCC1 ZINC001165018451 721835560 /nfs/dbraw/zinc/83/55/60/721835560.db2.gz QQKDXRCOMXSWRU-UHFFFAOYSA-N 1 2 361.493 3.698 20 30 FHEDLO Cc1cccn2cc(Cc3noc(C4(c5ccc(C#N)cc5)CC4)n3)[nH+]c12 ZINC000583169254 937203589 /nfs/dbraw/zinc/20/35/89/937203589.db2.gz QPOMMJVGZGZPGS-UHFFFAOYSA-N 1 2 355.401 3.568 20 30 FHEDLO C#CC[N@@H+](CN1C[C@@H](c2ccccc2C)CC1=O)[C@H]1CCc2ccccc21 ZINC000728195150 928053628 /nfs/dbraw/zinc/05/36/28/928053628.db2.gz FIWOLQPRUJGRAH-REWPJTCUSA-N 1 2 358.485 3.891 20 30 FHEDLO C#CC[N@H+](CN1C[C@@H](c2ccccc2C)CC1=O)[C@H]1CCc2ccccc21 ZINC000728195150 928053641 /nfs/dbraw/zinc/05/36/41/928053641.db2.gz FIWOLQPRUJGRAH-REWPJTCUSA-N 1 2 358.485 3.891 20 30 FHEDLO C#CC[N@@H+](CN1C[C@H](c2cccc(F)c2)CC1=O)[C@H]1CCc2ccccc21 ZINC000728196716 928055313 /nfs/dbraw/zinc/05/53/13/928055313.db2.gz SVDFYNNKYZODHH-KNQAVFIVSA-N 1 2 362.448 3.722 20 30 FHEDLO C#CC[N@H+](CN1C[C@H](c2cccc(F)c2)CC1=O)[C@H]1CCc2ccccc21 ZINC000728196716 928055326 /nfs/dbraw/zinc/05/53/26/928055326.db2.gz SVDFYNNKYZODHH-KNQAVFIVSA-N 1 2 362.448 3.722 20 30 FHEDLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(C#N)c1 ZINC000610348514 930067502 /nfs/dbraw/zinc/06/75/02/930067502.db2.gz IIRBFLJXFKKUCX-INIZCTEOSA-N 1 2 363.465 3.504 20 30 FHEDLO N#CC1(NC(=O)C[NH+]2CCC(=Cc3cccc(F)c3)CC2)CCCCC1 ZINC000610432506 930531319 /nfs/dbraw/zinc/53/13/19/930531319.db2.gz RHUDMLOLGCYGHG-UHFFFAOYSA-N 1 2 355.457 3.648 20 30 FHEDLO Cc1cn2cc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)ccc2[nH+]1 ZINC000328775081 932010759 /nfs/dbraw/zinc/01/07/59/932010759.db2.gz KMPORTBBYQFVOG-HNNXBMFYSA-N 1 2 368.462 3.987 20 30 FHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610504937 932022073 /nfs/dbraw/zinc/02/20/73/932022073.db2.gz MAHQQLQDQMYGOC-HXAVASGUSA-N 1 2 357.473 3.892 20 30 FHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610504937 932022081 /nfs/dbraw/zinc/02/20/81/932022081.db2.gz MAHQQLQDQMYGOC-HXAVASGUSA-N 1 2 357.473 3.892 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505527 932026919 /nfs/dbraw/zinc/02/69/19/932026919.db2.gz NQCDRODXBSMSOX-OXJNMPFZSA-N 1 2 351.425 3.908 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505527 932026925 /nfs/dbraw/zinc/02/69/25/932026925.db2.gz NQCDRODXBSMSOX-OXJNMPFZSA-N 1 2 351.425 3.908 20 30 FHEDLO CCc1cc(C#N)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000126738333 932418379 /nfs/dbraw/zinc/41/83/79/932418379.db2.gz SJSMHMSNKFVXPQ-UHFFFAOYSA-N 1 2 367.390 3.528 20 30 FHEDLO COCCOc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1OC ZINC000255360935 932486516 /nfs/dbraw/zinc/48/65/16/932486516.db2.gz KAIHKJFJJHYZLT-FPLPWBNLSA-N 1 2 366.417 3.573 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092360961 934022913 /nfs/dbraw/zinc/02/29/13/934022913.db2.gz PUVCXXXCCOTAQY-MRXNPFEDSA-N 1 2 365.495 3.729 20 30 FHEDLO C=CC[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092360961 934022928 /nfs/dbraw/zinc/02/29/28/934022928.db2.gz PUVCXXXCCOTAQY-MRXNPFEDSA-N 1 2 365.495 3.729 20 30 FHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(OC)c(OC)cc1OC ZINC000092646300 934121984 /nfs/dbraw/zinc/12/19/84/934121984.db2.gz YUFNIWKZGIKWSK-UHFFFAOYSA-N 1 2 372.421 3.809 20 30 FHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(OC)c(OC)cc1OC ZINC000092646300 934121988 /nfs/dbraw/zinc/12/19/88/934121988.db2.gz YUFNIWKZGIKWSK-UHFFFAOYSA-N 1 2 372.421 3.809 20 30 FHEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1csc2ccccc12 ZINC000176209686 934605505 /nfs/dbraw/zinc/60/55/05/934605505.db2.gz SMWHQMTVMYJHCS-UHFFFAOYSA-N 1 2 370.499 3.679 20 30 FHEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1csc2ccccc12 ZINC000176209686 934605508 /nfs/dbraw/zinc/60/55/08/934605508.db2.gz SMWHQMTVMYJHCS-UHFFFAOYSA-N 1 2 370.499 3.679 20 30 FHEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176270213 934711652 /nfs/dbraw/zinc/71/16/52/934711652.db2.gz CJVSTWPGUCAFIN-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176270213 934711655 /nfs/dbraw/zinc/71/16/55/934711655.db2.gz CJVSTWPGUCAFIN-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516637750 945078730 /nfs/dbraw/zinc/07/87/30/945078730.db2.gz HMQANIHIPBFSNC-HNNXBMFYSA-N 1 2 361.405 3.757 20 30 FHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC=C(c3ccco3)C2)c1C ZINC000511088415 935378289 /nfs/dbraw/zinc/37/82/89/935378289.db2.gz BQBAYFBRCGKNOP-UHFFFAOYSA-N 1 2 363.461 3.932 20 30 FHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC=C(c3ccco3)C2)c1C ZINC000511088415 935378297 /nfs/dbraw/zinc/37/82/97/935378297.db2.gz BQBAYFBRCGKNOP-UHFFFAOYSA-N 1 2 363.461 3.932 20 30 FHEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507286687 945102223 /nfs/dbraw/zinc/10/22/23/945102223.db2.gz QRNDCNMIMVHUFI-UHFFFAOYSA-N 1 2 358.445 3.844 20 30 FHEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)cc1 ZINC000511108147 935606098 /nfs/dbraw/zinc/60/60/98/935606098.db2.gz LVDOPEXPHWFAHT-UXHICEINSA-N 1 2 369.415 3.647 20 30 FHEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127664492 935715398 /nfs/dbraw/zinc/71/53/98/935715398.db2.gz UBNBQKMIEJZINQ-IBGZPJMESA-N 1 2 374.387 3.612 20 30 FHEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127664492 935715401 /nfs/dbraw/zinc/71/54/01/935715401.db2.gz UBNBQKMIEJZINQ-IBGZPJMESA-N 1 2 374.387 3.612 20 30 FHEDLO CN1CCO[C@H]([C@H]([NH2+]Cc2cc(C#N)ccc2F)c2ccc(Cl)cc2)C1 ZINC000121850667 935970020 /nfs/dbraw/zinc/97/00/20/935970020.db2.gz UPTGECJJCSGYKG-VQTJNVASSA-N 1 2 373.859 3.512 20 30 FHEDLO C[N@@H+]1CCO[C@H]([C@H](NCc2cc(C#N)ccc2F)c2ccc(Cl)cc2)C1 ZINC000121850667 935970022 /nfs/dbraw/zinc/97/00/22/935970022.db2.gz UPTGECJJCSGYKG-VQTJNVASSA-N 1 2 373.859 3.512 20 30 FHEDLO C[N@H+]1CCO[C@H]([C@H](NCc2cc(C#N)ccc2F)c2ccc(Cl)cc2)C1 ZINC000121850667 935970027 /nfs/dbraw/zinc/97/00/27/935970027.db2.gz UPTGECJJCSGYKG-VQTJNVASSA-N 1 2 373.859 3.512 20 30 FHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000140543518 945158070 /nfs/dbraw/zinc/15/80/70/945158070.db2.gz LJBHDXCKXGLTDF-OAHLLOKOSA-N 1 2 359.882 3.919 20 30 FHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000140543518 945158075 /nfs/dbraw/zinc/15/80/75/945158075.db2.gz LJBHDXCKXGLTDF-OAHLLOKOSA-N 1 2 359.882 3.919 20 30 FHEDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548799183 938298796 /nfs/dbraw/zinc/29/87/96/938298796.db2.gz ORONXSWEOLCKAM-MRXNPFEDSA-N 1 2 359.433 3.750 20 30 FHEDLO N#C[C@H]1CC[C@@H](Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC000278568493 938542430 /nfs/dbraw/zinc/54/24/30/938542430.db2.gz NGGVOUXWEQOECC-ZWKOTPCHSA-N 1 2 367.522 3.707 20 30 FHEDLO C=CC[N@@H+](C/C(C)=C\c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000584199277 938638585 /nfs/dbraw/zinc/63/85/85/938638585.db2.gz ZFSMRMKUAFQLAW-QXSWTLKVSA-N 1 2 373.440 3.784 20 30 FHEDLO C=CC[N@H+](C/C(C)=C\c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000584199277 938638586 /nfs/dbraw/zinc/63/85/86/938638586.db2.gz ZFSMRMKUAFQLAW-QXSWTLKVSA-N 1 2 373.440 3.784 20 30 FHEDLO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000584315176 938683942 /nfs/dbraw/zinc/68/39/42/938683942.db2.gz MHXAYQKEJZWKCQ-UHFFFAOYSA-N 1 2 371.868 3.607 20 30 FHEDLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000584315176 938683946 /nfs/dbraw/zinc/68/39/46/938683946.db2.gz MHXAYQKEJZWKCQ-UHFFFAOYSA-N 1 2 371.868 3.607 20 30 FHEDLO N#CCCC[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000458800619 938947046 /nfs/dbraw/zinc/94/70/46/938947046.db2.gz LKZQSGRIJVIROQ-ZWKOTPCHSA-N 1 2 351.454 3.734 20 30 FHEDLO Cc1cccc([C@H](CNc2ncc(Cl)c(C)c2C#N)[NH+]2CCOCC2)c1 ZINC000544069321 938991605 /nfs/dbraw/zinc/99/16/05/938991605.db2.gz VMQCSDPJCRYIOS-IBGZPJMESA-N 1 2 370.884 3.709 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(C#N)C3)n2)C1 ZINC000612036645 939023194 /nfs/dbraw/zinc/02/31/94/939023194.db2.gz LKKMOVIHLLKTIZ-KDOFPFPSSA-N 1 2 361.515 3.533 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(C#N)C3)n2)C1 ZINC000612036645 939023196 /nfs/dbraw/zinc/02/31/96/939023196.db2.gz LKKMOVIHLLKTIZ-KDOFPFPSSA-N 1 2 361.515 3.533 20 30 FHEDLO CC1(C#N)CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000506023191 945227258 /nfs/dbraw/zinc/22/72/58/945227258.db2.gz UHARFKXDAADFEO-LJQANCHMSA-N 1 2 353.491 3.579 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(=O)[nH]n1 ZINC000375794274 939897608 /nfs/dbraw/zinc/89/76/08/939897608.db2.gz VGCUPBUFAQFJQT-NEPJUHHUSA-N 1 2 351.435 3.589 20 30 FHEDLO CC(C)c1noc([C@H](C)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000612543616 940130209 /nfs/dbraw/zinc/13/02/09/940130209.db2.gz DRVSGYZTCDSVLW-CVEARBPZSA-N 1 2 353.470 3.504 20 30 FHEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000177671780 940344146 /nfs/dbraw/zinc/34/41/46/940344146.db2.gz CGNVCKGXHOFRCB-CQSZACIVSA-N 1 2 366.421 3.646 20 30 FHEDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000580544806 940478830 /nfs/dbraw/zinc/47/88/30/940478830.db2.gz DPPWQUYUQGPLHD-KKSFZXQISA-N 1 2 370.456 3.862 20 30 FHEDLO CC(C)(C)c1ccc(C#N)c(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000613411480 940682429 /nfs/dbraw/zinc/68/24/29/940682429.db2.gz XYJMPRCMAHAOFS-IBGZPJMESA-N 1 2 364.493 3.736 20 30 FHEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(-c2nc(C(C)(C)C)cs2)c1 ZINC000414153911 940686872 /nfs/dbraw/zinc/68/68/72/940686872.db2.gz SOMLVSZETSFRFT-INIZCTEOSA-N 1 2 373.522 3.693 20 30 FHEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(-c2nc(C(C)(C)C)cs2)c1 ZINC000414153911 940686873 /nfs/dbraw/zinc/68/68/73/940686873.db2.gz SOMLVSZETSFRFT-INIZCTEOSA-N 1 2 373.522 3.693 20 30 FHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1F ZINC000174495696 940741522 /nfs/dbraw/zinc/74/15/22/940741522.db2.gz VRPJDYCGRAEKRR-UHFFFAOYSA-N 1 2 365.368 3.508 20 30 FHEDLO CCOC(=O)CCOc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000180313173 940955838 /nfs/dbraw/zinc/95/58/38/940955838.db2.gz KAFBDNRKLWBTNC-DHZHZOJOSA-N 1 2 364.401 3.562 20 30 FHEDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000186315033 940981549 /nfs/dbraw/zinc/98/15/49/940981549.db2.gz YUHMSJWGKVRQLH-UHFFFAOYSA-N 1 2 368.481 3.512 20 30 FHEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000186315033 940981554 /nfs/dbraw/zinc/98/15/54/940981554.db2.gz YUHMSJWGKVRQLH-UHFFFAOYSA-N 1 2 368.481 3.512 20 30 FHEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330126431 945367333 /nfs/dbraw/zinc/36/73/33/945367333.db2.gz MJAHYNPQAFJQSY-QWQRMKEZSA-N 1 2 352.862 3.586 20 30 FHEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330126431 945367343 /nfs/dbraw/zinc/36/73/43/945367343.db2.gz MJAHYNPQAFJQSY-QWQRMKEZSA-N 1 2 352.862 3.586 20 30 FHEDLO O=C(c1cccc(F)c1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177017403 941094077 /nfs/dbraw/zinc/09/40/77/941094077.db2.gz KXKCKBICDMKYAU-UHFFFAOYSA-N 1 2 370.855 3.679 20 30 FHEDLO O=C(c1cccc(F)c1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177017403 941094080 /nfs/dbraw/zinc/09/40/80/941094080.db2.gz KXKCKBICDMKYAU-UHFFFAOYSA-N 1 2 370.855 3.679 20 30 FHEDLO COc1ccccc1C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000177116207 941101350 /nfs/dbraw/zinc/10/13/50/941101350.db2.gz VJQPJXIZWKITPM-UHFFFAOYSA-N 1 2 363.379 3.560 20 30 FHEDLO COc1ccccc1C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000177116207 941101351 /nfs/dbraw/zinc/10/13/51/941101351.db2.gz VJQPJXIZWKITPM-UHFFFAOYSA-N 1 2 363.379 3.560 20 30 FHEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2Br)ccc1O ZINC000181087984 941108069 /nfs/dbraw/zinc/10/80/69/941108069.db2.gz FVXJXOLANWYMDD-UHFFFAOYSA-N 1 2 361.239 3.667 20 30 FHEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)ccc1O ZINC000181087984 941108070 /nfs/dbraw/zinc/10/80/70/941108070.db2.gz FVXJXOLANWYMDD-UHFFFAOYSA-N 1 2 361.239 3.667 20 30 FHEDLO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1c(F)cncc1F ZINC000513275837 941826128 /nfs/dbraw/zinc/82/61/28/941826128.db2.gz KPNKWOWFEHEDMY-LLVKDONJSA-N 1 2 356.294 3.961 20 30 FHEDLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(C#N)ccc3C)c2C1 ZINC000513383165 941878737 /nfs/dbraw/zinc/87/87/37/941878737.db2.gz ICJAVBFTUQBIAN-UHFFFAOYSA-N 1 2 369.490 3.783 20 30 FHEDLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(C#N)ccc3C)c2C1 ZINC000513383165 941878741 /nfs/dbraw/zinc/87/87/41/941878741.db2.gz ICJAVBFTUQBIAN-UHFFFAOYSA-N 1 2 369.490 3.783 20 30 FHEDLO CCN(CC)C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000513402408 941898698 /nfs/dbraw/zinc/89/86/98/941898698.db2.gz WCRUFPLXARQNFW-UHFFFAOYSA-N 1 2 353.441 3.568 20 30 FHEDLO CCN(CC)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000513402408 941898700 /nfs/dbraw/zinc/89/87/00/941898700.db2.gz WCRUFPLXARQNFW-UHFFFAOYSA-N 1 2 353.441 3.568 20 30 FHEDLO N#Cc1ccccc1Sc1ccccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378090036 942265407 /nfs/dbraw/zinc/26/54/07/942265407.db2.gz FZXANXLJNJTPKU-UHFFFAOYSA-N 1 2 360.442 3.562 20 30 FHEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)C[C@@H]1n1cc[nH+]c1 ZINC000330184870 942389612 /nfs/dbraw/zinc/38/96/12/942389612.db2.gz ITGVFWXXCQPEAT-OAGGEKHMSA-N 1 2 354.445 3.896 20 30 FHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)Cc1cccs1 ZINC000016395480 942556384 /nfs/dbraw/zinc/55/63/84/942556384.db2.gz ZCAHITFNPJEYCW-OAHLLOKOSA-N 1 2 374.506 3.631 20 30 FHEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)Cc1cccs1 ZINC000016395480 942556385 /nfs/dbraw/zinc/55/63/85/942556385.db2.gz ZCAHITFNPJEYCW-OAHLLOKOSA-N 1 2 374.506 3.631 20 30 FHEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000513958549 942623534 /nfs/dbraw/zinc/62/35/34/942623534.db2.gz TYFSLDGPBHOFMD-NQIIRXRSSA-N 1 2 366.505 3.844 20 30 FHEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000513958549 942623536 /nfs/dbraw/zinc/62/35/36/942623536.db2.gz TYFSLDGPBHOFMD-NQIIRXRSSA-N 1 2 366.505 3.844 20 30 FHEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000513958551 942623676 /nfs/dbraw/zinc/62/36/76/942623676.db2.gz TYFSLDGPBHOFMD-WIYYLYMNSA-N 1 2 366.505 3.844 20 30 FHEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000513958551 942623679 /nfs/dbraw/zinc/62/36/79/942623679.db2.gz TYFSLDGPBHOFMD-WIYYLYMNSA-N 1 2 366.505 3.844 20 30 FHEDLO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccncc1 ZINC000502771403 942731134 /nfs/dbraw/zinc/73/11/34/942731134.db2.gz WUTMZIRBQLUAEE-MRXNPFEDSA-N 1 2 368.506 3.794 20 30 FHEDLO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccncc1 ZINC000502771403 942731136 /nfs/dbraw/zinc/73/11/36/942731136.db2.gz WUTMZIRBQLUAEE-MRXNPFEDSA-N 1 2 368.506 3.794 20 30 FHEDLO N#Cc1cccnc1N1CC[NH+](CCc2cccc(Cl)c2Cl)CC1 ZINC000434539582 942744181 /nfs/dbraw/zinc/74/41/81/942744181.db2.gz HMZVMGULOZVWIN-UHFFFAOYSA-N 1 2 361.276 3.625 20 30 FHEDLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000514124316 942759707 /nfs/dbraw/zinc/75/97/07/942759707.db2.gz HJAZACFHNLLLBK-UHFFFAOYSA-N 1 2 357.841 3.681 20 30 FHEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000514124316 942759709 /nfs/dbraw/zinc/75/97/09/942759709.db2.gz HJAZACFHNLLLBK-UHFFFAOYSA-N 1 2 357.841 3.681 20 30 FHEDLO N#CCCCOc1cccc(NC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000378480317 942809885 /nfs/dbraw/zinc/80/98/85/942809885.db2.gz ZRGYHJMBMDNSGT-UHFFFAOYSA-N 1 2 356.495 3.902 20 30 FHEDLO COc1ccc(C(=O)C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000014327746 943027666 /nfs/dbraw/zinc/02/76/66/943027666.db2.gz CMVXDTMTZGZPCQ-UHFFFAOYSA-N 1 2 352.409 3.801 20 30 FHEDLO CC[N@H+](CC(=O)N(C)Cc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000584579117 943065741 /nfs/dbraw/zinc/06/57/41/943065741.db2.gz MEZIEZCIRXENGX-UHFFFAOYSA-N 1 2 355.869 3.692 20 30 FHEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000584579117 943065751 /nfs/dbraw/zinc/06/57/51/943065751.db2.gz MEZIEZCIRXENGX-UHFFFAOYSA-N 1 2 355.869 3.692 20 30 FHEDLO C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000435093010 943158584 /nfs/dbraw/zinc/15/85/84/943158584.db2.gz ZLFNAZWLDJPJQL-INIZCTEOSA-N 1 2 356.429 3.653 20 30 FHEDLO CCCCn1c(SCc2nc(C#N)cs2)nnc1[C@H](CC)[NH+](C)C ZINC000416891650 943204079 /nfs/dbraw/zinc/20/40/79/943204079.db2.gz KJUIYZLMUWYHEH-ZDUSSCGKSA-N 1 2 364.544 3.711 20 30 FHEDLO N#Cc1ccc(CNc2cc(CSCCO)cc[nH+]2)c(C(F)(F)F)c1 ZINC000514893997 943357103 /nfs/dbraw/zinc/35/71/03/943357103.db2.gz QILMLTMMVKSZSX-UHFFFAOYSA-N 1 2 367.396 3.810 20 30 FHEDLO CC(C)[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000503750463 943367905 /nfs/dbraw/zinc/36/79/05/943367905.db2.gz SFCYNDBBZSIYKI-NHCUHLMSSA-N 1 2 368.525 3.600 20 30 FHEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000504582341 943695605 /nfs/dbraw/zinc/69/56/05/943695605.db2.gz LLVYWYNIHAXCFB-GOSISDBHSA-N 1 2 352.478 3.903 20 30 FHEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000504582341 943695609 /nfs/dbraw/zinc/69/56/09/943695609.db2.gz LLVYWYNIHAXCFB-GOSISDBHSA-N 1 2 352.478 3.903 20 30 FHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000660291025 943909287 /nfs/dbraw/zinc/90/92/87/943909287.db2.gz UFISDQYPNAUFJQ-YLJYHZDGSA-N 1 2 352.482 3.866 20 30 FHEDLO Cc1ccc2cc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2n1 ZINC000437595277 943937962 /nfs/dbraw/zinc/93/79/62/943937962.db2.gz YLXVVFYDOGMZRL-UHFFFAOYSA-N 1 2 356.473 3.733 20 30 FHEDLO CCn1c2ccc(Br)cc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000436021849 943942004 /nfs/dbraw/zinc/94/20/04/943942004.db2.gz KKWQVKOPRXBBPM-UHFFFAOYSA-N 1 2 355.239 3.724 20 30 FHEDLO C[N@@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000092693629 944281160 /nfs/dbraw/zinc/28/11/60/944281160.db2.gz SPWAUOWVIOKQER-OLZOCXBDSA-N 1 2 354.813 3.804 20 30 FHEDLO C[N@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000092693629 944281164 /nfs/dbraw/zinc/28/11/64/944281164.db2.gz SPWAUOWVIOKQER-OLZOCXBDSA-N 1 2 354.813 3.804 20 30 FHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162647420 944402603 /nfs/dbraw/zinc/40/26/03/944402603.db2.gz SLENZZZBHWCNRN-UHFFFAOYSA-N 1 2 369.425 3.584 20 30 FHEDLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439453805 944636630 /nfs/dbraw/zinc/63/66/30/944636630.db2.gz PXJIHBDNGVQBIF-UHFFFAOYSA-N 1 2 359.832 3.682 20 30 FHEDLO N#Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)ccc1Cl ZINC000516335683 944736779 /nfs/dbraw/zinc/73/67/79/944736779.db2.gz ZLSILQIFKNMELH-SFHVURJKSA-N 1 2 371.893 3.940 20 30 FHEDLO C=C(C)COCCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425673795 944881216 /nfs/dbraw/zinc/88/12/16/944881216.db2.gz NYXFSVHVRIUWLW-UHFFFAOYSA-N 1 2 354.454 3.601 20 30 FHEDLO N#Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)o1 ZINC000432009472 944920921 /nfs/dbraw/zinc/92/09/21/944920921.db2.gz VYTGIYSPZWMCHG-HNNXBMFYSA-N 1 2 361.804 3.511 20 30 FHEDLO CC(C)N(C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438739776 944980167 /nfs/dbraw/zinc/98/01/67/944980167.db2.gz YJAPNJHSFQOFGX-UHFFFAOYSA-N 1 2 353.441 3.566 20 30 FHEDLO CC(C)N(C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438739776 944980175 /nfs/dbraw/zinc/98/01/75/944980175.db2.gz YJAPNJHSFQOFGX-UHFFFAOYSA-N 1 2 353.441 3.566 20 30 FHEDLO N#Cc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC000426147741 945023792 /nfs/dbraw/zinc/02/37/92/945023792.db2.gz HQAWDDVSVNYXJH-UHFFFAOYSA-N 1 2 365.824 3.778 20 30 FHEDLO CC1(C)C[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)c2ccc(F)cc2O1 ZINC000330151227 945377825 /nfs/dbraw/zinc/37/78/25/945377825.db2.gz LHSHADWMSBIYAS-INIZCTEOSA-N 1 2 368.412 3.779 20 30 FHEDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(Oc2ccccc2)c1 ZINC000125021721 945478266 /nfs/dbraw/zinc/47/82/66/945478266.db2.gz HLKJMIBJDROSAZ-QFIPXVFZSA-N 1 2 371.440 3.975 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCSc3ccccc32)CCO1 ZINC000330327217 945567119 /nfs/dbraw/zinc/56/71/19/945567119.db2.gz KUDJHUZFISZQCO-UNEWFSDZSA-N 1 2 357.479 3.876 20 30 FHEDLO Cc1cccc2c1CC[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000729480331 945574740 /nfs/dbraw/zinc/57/47/40/945574740.db2.gz USWCEVHTUUYURU-KRWDZBQOSA-N 1 2 361.470 3.839 20 30 FHEDLO Cc1cccc2c1CC[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000729480331 945574750 /nfs/dbraw/zinc/57/47/50/945574750.db2.gz USWCEVHTUUYURU-KRWDZBQOSA-N 1 2 361.470 3.839 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCCc3ccccc32)CCO1 ZINC000330341604 945632130 /nfs/dbraw/zinc/63/21/30/945632130.db2.gz ZLRQUBRXKYQZJZ-PBEJRMEISA-N 1 2 353.466 3.891 20 30 FHEDLO N#CC1(CCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCOCC1 ZINC000281518850 945666270 /nfs/dbraw/zinc/66/62/70/945666270.db2.gz ZEFKLEFRMULABB-GOSISDBHSA-N 1 2 366.864 3.953 20 30 FHEDLO N#CC1(CCC[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCOCC1 ZINC000281518850 945666277 /nfs/dbraw/zinc/66/62/77/945666277.db2.gz ZEFKLEFRMULABB-GOSISDBHSA-N 1 2 366.864 3.953 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[NH+]1CC(C)C1 ZINC000519715500 945691250 /nfs/dbraw/zinc/69/12/50/945691250.db2.gz YURBIOPVGXKUMR-HNNXBMFYSA-N 1 2 367.424 3.555 20 30 FHEDLO C=CC[N@H+](Cc1csc(-c2cccc(OC)c2OC)n1)[C@H](C)COC ZINC000661244976 945900239 /nfs/dbraw/zinc/90/02/39/945900239.db2.gz YGQZKWICKLDBDR-CQSZACIVSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CC[N@@H+](Cc1csc(-c2cccc(OC)c2OC)n1)[C@H](C)COC ZINC000661244976 945900250 /nfs/dbraw/zinc/90/02/50/945900250.db2.gz YGQZKWICKLDBDR-CQSZACIVSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000444187487 946048164 /nfs/dbraw/zinc/04/81/64/946048164.db2.gz APVZYJZAUHZCEJ-KRWDZBQOSA-N 1 2 362.539 3.686 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC000444187487 946048174 /nfs/dbraw/zinc/04/81/74/946048174.db2.gz APVZYJZAUHZCEJ-KRWDZBQOSA-N 1 2 362.539 3.686 20 30 FHEDLO C=C(C)[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302396193 946216877 /nfs/dbraw/zinc/21/68/77/946216877.db2.gz KEHNZTFIBUEDKK-VLIAUNLRSA-N 1 2 374.435 3.693 20 30 FHEDLO C=C(C)[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302396193 946216887 /nfs/dbraw/zinc/21/68/87/946216887.db2.gz KEHNZTFIBUEDKK-VLIAUNLRSA-N 1 2 374.435 3.693 20 30 FHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)c1 ZINC000896943016 946344215 /nfs/dbraw/zinc/34/42/15/946344215.db2.gz QEBFDXOESNKUEV-UHFFFAOYSA-N 1 2 358.898 3.931 20 30 FHEDLO CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000475118431 946414214 /nfs/dbraw/zinc/41/42/14/946414214.db2.gz NPHFUXUBJZDBHG-UHFFFAOYSA-N 1 2 363.461 3.572 20 30 FHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCn2cc[nH+]c2)cc1 ZINC000523065722 946450763 /nfs/dbraw/zinc/45/07/63/946450763.db2.gz MAMCEXKJRLAKDX-UHFFFAOYSA-N 1 2 362.408 3.513 20 30 FHEDLO C#Cc1ccc(NC(=O)CC[NH2+]C2(c3noc(C)n3)CCCCCC2)cc1 ZINC001168068949 946535950 /nfs/dbraw/zinc/53/59/50/946535950.db2.gz PIJWDQNLJLCCFD-UHFFFAOYSA-N 1 2 366.465 3.527 20 30 FHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000026113782 946916370 /nfs/dbraw/zinc/91/63/70/946916370.db2.gz DBFMRVIHMBOXPK-UHFFFAOYSA-N 1 2 369.490 3.609 20 30 FHEDLO CCn1nc(C)c(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1C ZINC000475350266 946923489 /nfs/dbraw/zinc/92/34/89/946923489.db2.gz CWIJSSMTTGWIRS-HXUWFJFHSA-N 1 2 371.916 3.556 20 30 FHEDLO CC1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC(C)(C)O1 ZINC000328598838 946978041 /nfs/dbraw/zinc/97/80/41/946978041.db2.gz BLYOFIXQJASXKK-UHFFFAOYSA-N 1 2 366.531 3.564 20 30 FHEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328700395 946994768 /nfs/dbraw/zinc/99/47/68/946994768.db2.gz MRPZQMDCNSPDOA-JSGCOSHPSA-N 1 2 350.825 3.989 20 30 FHEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328700395 946994777 /nfs/dbraw/zinc/99/47/77/946994777.db2.gz MRPZQMDCNSPDOA-JSGCOSHPSA-N 1 2 350.825 3.989 20 30 FHEDLO CC1(C)C(=O)Nc2cc(C(=O)NCCc3cn4c([nH+]3)CCCC4)ccc21 ZINC000328745368 947007107 /nfs/dbraw/zinc/00/71/07/947007107.db2.gz KVTJWZGNHLWGKP-UHFFFAOYSA-N 1 2 352.438 3.646 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)C2 ZINC000475399790 947025153 /nfs/dbraw/zinc/02/51/53/947025153.db2.gz WSGRVSULPKRJPV-GOSISDBHSA-N 1 2 364.493 3.947 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)CC2 ZINC000475399790 947025161 /nfs/dbraw/zinc/02/51/61/947025161.db2.gz WSGRVSULPKRJPV-GOSISDBHSA-N 1 2 364.493 3.947 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCc3ccsc3C1)C2 ZINC000328824364 947040747 /nfs/dbraw/zinc/04/07/47/947040747.db2.gz GYYQMYXZTXLGME-CQSZACIVSA-N 1 2 358.511 3.529 20 30 FHEDLO C[C@H](NC(=O)N1CC[C@H](C2CCOCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000328851461 947066008 /nfs/dbraw/zinc/06/60/08/947066008.db2.gz SAITYEHTMWPUJF-LPHOPBHVSA-N 1 2 368.481 3.596 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000328966762 947127170 /nfs/dbraw/zinc/12/71/70/947127170.db2.gz NBYSZALIPPXNAW-HLAWJBBLSA-N 1 2 368.477 3.944 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000328966762 947127177 /nfs/dbraw/zinc/12/71/77/947127177.db2.gz NBYSZALIPPXNAW-HLAWJBBLSA-N 1 2 368.477 3.944 20 30 FHEDLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc2c(c1)OCO2 ZINC000328990689 947135538 /nfs/dbraw/zinc/13/55/38/947135538.db2.gz SEIIQOGINFJEIF-IJEWVQPXSA-N 1 2 353.422 3.600 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711421 947139171 /nfs/dbraw/zinc/13/91/71/947139171.db2.gz XGJUQFLNMNVPCH-LLVKDONJSA-N 1 2 363.795 3.949 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711421 947139163 /nfs/dbraw/zinc/13/91/63/947139163.db2.gz XGJUQFLNMNVPCH-LLVKDONJSA-N 1 2 363.795 3.949 20 30 FHEDLO N#Cc1cc(C(F)(F)F)ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000124865937 947140938 /nfs/dbraw/zinc/14/09/38/947140938.db2.gz USIKXSPZIRHXPO-UHFFFAOYSA-N 1 2 366.412 3.746 20 30 FHEDLO N#Cc1cc(C(F)(F)F)ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000124865937 947140953 /nfs/dbraw/zinc/14/09/53/947140953.db2.gz USIKXSPZIRHXPO-UHFFFAOYSA-N 1 2 366.412 3.746 20 30 FHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444719674 947161056 /nfs/dbraw/zinc/16/10/56/947161056.db2.gz ZRLFLYYCHPSFJH-CHWWFWEZSA-N 1 2 363.452 3.716 20 30 FHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444719674 947161053 /nfs/dbraw/zinc/16/10/53/947161053.db2.gz ZRLFLYYCHPSFJH-CHWWFWEZSA-N 1 2 363.452 3.716 20 30 FHEDLO CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330623689 947230142 /nfs/dbraw/zinc/23/01/42/947230142.db2.gz QABLTXAUZFCVKD-ZIAGYGMSSA-N 1 2 354.878 3.541 20 30 FHEDLO C[C@@H]1CN(c2ccc(NCc3ccc(F)c(C#N)c3Cl)c[nH+]2)C[C@H](C)O1 ZINC000475443302 947258159 /nfs/dbraw/zinc/25/81/59/947258159.db2.gz IZIQXBFALUXKHH-BETUJISGSA-N 1 2 374.847 3.971 20 30 FHEDLO C=CC[C@@H]1N(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCC1(C)C ZINC000444849577 947262224 /nfs/dbraw/zinc/26/22/24/947262224.db2.gz MWTYKDQQCYGPOL-SFHVURJKSA-N 1 2 356.514 3.827 20 30 FHEDLO CC1(C)C[N@H+](CCNC(=O)Nc2cccc(C(F)F)c2Cl)CCO1 ZINC000330821704 947280318 /nfs/dbraw/zinc/28/03/18/947280318.db2.gz DFPCTUNRLAGKMD-UHFFFAOYSA-N 1 2 361.820 3.714 20 30 FHEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cccc(C(F)F)c2Cl)CCO1 ZINC000330821704 947280327 /nfs/dbraw/zinc/28/03/27/947280327.db2.gz DFPCTUNRLAGKMD-UHFFFAOYSA-N 1 2 361.820 3.714 20 30 FHEDLO CCC(CC)C(=O)N1CCC(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331249925 947380277 /nfs/dbraw/zinc/38/02/77/947380277.db2.gz YJNVULWHNXKUSC-UHFFFAOYSA-N 1 2 360.502 3.760 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc2c1OCO2 ZINC000093872097 947432855 /nfs/dbraw/zinc/43/28/55/947432855.db2.gz IFJVWJVIBSBDBD-ZWKOTPCHSA-N 1 2 350.418 3.696 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc2c1OCO2 ZINC000093872097 947432860 /nfs/dbraw/zinc/43/28/60/947432860.db2.gz IFJVWJVIBSBDBD-ZWKOTPCHSA-N 1 2 350.418 3.696 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000253485188 947433248 /nfs/dbraw/zinc/43/32/48/947433248.db2.gz MPUADMWZTHAFKX-KFWWJZLASA-N 1 2 363.552 3.703 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000253485188 947433255 /nfs/dbraw/zinc/43/32/55/947433255.db2.gz MPUADMWZTHAFKX-KFWWJZLASA-N 1 2 363.552 3.703 20 30 FHEDLO COc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1OCCCC#N ZINC000895067992 947889432 /nfs/dbraw/zinc/88/94/32/947889432.db2.gz CSPVQRYAOYUJSI-UHFFFAOYSA-N 1 2 366.465 3.538 20 30 FHEDLO COc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1OCCCC#N ZINC000895067992 947889438 /nfs/dbraw/zinc/88/94/38/947889438.db2.gz CSPVQRYAOYUJSI-UHFFFAOYSA-N 1 2 366.465 3.538 20 30 FHEDLO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507768566 948096673 /nfs/dbraw/zinc/09/66/73/948096673.db2.gz HOSWMUKTJWXIOG-UHFFFAOYSA-N 1 2 363.461 3.657 20 30 FHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1=S ZINC000180551423 948108583 /nfs/dbraw/zinc/10/85/83/948108583.db2.gz VZWKRQFTFBYIBC-UHFFFAOYSA-N 1 2 372.538 3.506 20 30 FHEDLO Cc1cc(C#N)cc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000585702260 948185073 /nfs/dbraw/zinc/18/50/73/948185073.db2.gz HQEXNDALMLDXGU-UHFFFAOYSA-N 1 2 360.383 3.603 20 30 FHEDLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507789048 948440276 /nfs/dbraw/zinc/44/02/76/948440276.db2.gz RBQTYXPSMDKXDM-UHFFFAOYSA-N 1 2 363.461 3.657 20 30 FHEDLO N#CCCC[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000602162563 567945806 /nfs/dbraw/zinc/94/58/06/567945806.db2.gz YJJSSTPDOXMQKQ-HOTGVXAUSA-N 1 2 364.371 3.928 20 30 FHEDLO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602973681 568034949 /nfs/dbraw/zinc/03/49/49/568034949.db2.gz DAUCRNSEYDGADD-SQGPQFPESA-N 1 2 353.491 3.578 20 30 FHEDLO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602973681 568034950 /nfs/dbraw/zinc/03/49/50/568034950.db2.gz DAUCRNSEYDGADD-SQGPQFPESA-N 1 2 353.491 3.578 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602799738 568036250 /nfs/dbraw/zinc/03/62/50/568036250.db2.gz FPJJIOMASYGMHR-IBGZPJMESA-N 1 2 350.466 3.556 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000602799738 568036251 /nfs/dbraw/zinc/03/62/51/568036251.db2.gz FPJJIOMASYGMHR-IBGZPJMESA-N 1 2 350.466 3.556 20 30 FHEDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(CC2(C#N)CCCCC2)nn1 ZINC000603252448 568078721 /nfs/dbraw/zinc/07/87/21/568078721.db2.gz BUAAECZVZQBSAC-UHFFFAOYSA-N 1 2 360.465 3.837 20 30 FHEDLO C[NH+](C)[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)c1c(F)cccc1F ZINC000160665205 568085099 /nfs/dbraw/zinc/08/50/99/568085099.db2.gz KGFRZDHVBJXXGS-MRXNPFEDSA-N 1 2 363.795 3.523 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000031053072 568322330 /nfs/dbraw/zinc/32/23/30/568322330.db2.gz POQQPAJLRGCWGF-SJKOYZFVSA-N 1 2 356.297 3.868 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000031053072 568322331 /nfs/dbraw/zinc/32/23/31/568322331.db2.gz POQQPAJLRGCWGF-SJKOYZFVSA-N 1 2 356.297 3.868 20 30 FHEDLO Cn1cc(C[N@H+](C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1C#N ZINC000365278543 568401444 /nfs/dbraw/zinc/40/14/44/568401444.db2.gz WLLMPASLEIPWNY-LJQANCHMSA-N 1 2 351.841 3.562 20 30 FHEDLO Cn1cc(C[N@@H+](C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1C#N ZINC000365278543 568401445 /nfs/dbraw/zinc/40/14/45/568401445.db2.gz WLLMPASLEIPWNY-LJQANCHMSA-N 1 2 351.841 3.562 20 30 FHEDLO Cc1cc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)n2c3ccccc3nc2c1C#N ZINC000569435231 568402312 /nfs/dbraw/zinc/40/23/12/568402312.db2.gz BANLFMVFNTYNSQ-IBGZPJMESA-N 1 2 370.460 3.989 20 30 FHEDLO CN(C)c1cc(C#N)cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000570111727 568451487 /nfs/dbraw/zinc/45/14/87/568451487.db2.gz WNJNAIZYHCKZSS-UHFFFAOYSA-N 1 2 370.416 3.586 20 30 FHEDLO COc1ccc([C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2nccn2C)cc1 ZINC000570488889 568488137 /nfs/dbraw/zinc/48/81/37/568488137.db2.gz GFOVMMWEVWXONF-LEWJYISDSA-N 1 2 358.445 3.667 20 30 FHEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)on1 ZINC000052008093 936313762 /nfs/dbraw/zinc/31/37/62/936313762.db2.gz NQEYFLONIXDXFL-IBGZPJMESA-N 1 2 366.465 3.684 20 30 FHEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)on1 ZINC000052008093 936313767 /nfs/dbraw/zinc/31/37/67/936313767.db2.gz NQEYFLONIXDXFL-IBGZPJMESA-N 1 2 366.465 3.684 20 30 FHEDLO C=CCOCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000079539483 937123209 /nfs/dbraw/zinc/12/32/09/937123209.db2.gz IXGWEESUVQSWES-KRWDZBQOSA-N 1 2 368.880 3.715 20 30 FHEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000157667751 928407029 /nfs/dbraw/zinc/40/70/29/928407029.db2.gz ZCEKNLGOZWTGHJ-ZDUSSCGKSA-N 1 2 367.815 3.985 20 30 FHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000124659428 937250850 /nfs/dbraw/zinc/25/08/50/937250850.db2.gz VGABCHHTMINHAS-HNNXBMFYSA-N 1 2 357.483 3.689 20 30 FHEDLO C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(C#N)c1 ZINC000610317813 929879786 /nfs/dbraw/zinc/87/97/86/929879786.db2.gz DZYIKPGHLKSBOR-AWEZNQCLSA-N 1 2 369.494 3.883 20 30 FHEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246401026 930048886 /nfs/dbraw/zinc/04/88/86/930048886.db2.gz HUPNNUSGBROBKI-IAGOWNOFSA-N 1 2 363.864 3.815 20 30 FHEDLO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246401026 930048891 /nfs/dbraw/zinc/04/88/91/930048891.db2.gz HUPNNUSGBROBKI-IAGOWNOFSA-N 1 2 363.864 3.815 20 30 FHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000083214166 930176392 /nfs/dbraw/zinc/17/63/92/930176392.db2.gz JQCXOHUBQCVTSM-PXNSSMCTSA-N 1 2 366.486 3.887 20 30 FHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000083214166 930176401 /nfs/dbraw/zinc/17/64/01/930176401.db2.gz JQCXOHUBQCVTSM-PXNSSMCTSA-N 1 2 366.486 3.887 20 30 FHEDLO N#Cc1cc(Cl)c(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)cc1Cl ZINC001211579824 937423418 /nfs/dbraw/zinc/42/34/18/937423418.db2.gz JKMGXZSOPSCYGK-VIFPVBQESA-N 1 2 359.163 3.627 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(CCOc3cccc4ccccc43)CC2)cc1 ZINC000064950151 931176977 /nfs/dbraw/zinc/17/69/77/931176977.db2.gz BCYBQYHJXCTJEG-UHFFFAOYSA-N 1 2 371.484 3.908 20 30 FHEDLO C=CC[S@](=O)(=NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000891382567 931981833 /nfs/dbraw/zinc/98/18/33/931981833.db2.gz PDMHKEKEYWBZPY-DLUDVSRJSA-N 1 2 371.384 3.616 20 30 FHEDLO Cc1cc2c(s1)N(c1nc(C#N)c(C#N)nc1C)c1ccccc1NC2=[NH2+] ZINC001167460268 932022492 /nfs/dbraw/zinc/02/24/92/932022492.db2.gz HNDNIJNERDOQAF-UHFFFAOYSA-N 1 2 371.429 3.719 20 30 FHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c(C#N)c1C ZINC000610542548 932735096 /nfs/dbraw/zinc/73/50/96/932735096.db2.gz PKHNMMRAIYGSOO-KRWDZBQOSA-N 1 2 355.463 3.718 20 30 FHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c(C#N)c1C ZINC000610542548 932735098 /nfs/dbraw/zinc/73/50/98/932735098.db2.gz PKHNMMRAIYGSOO-KRWDZBQOSA-N 1 2 355.463 3.718 20 30 FHEDLO O=C(NC1CC(c2cccc(Cl)c2)C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000328837872 932843170 /nfs/dbraw/zinc/84/31/70/932843170.db2.gz XZPSOJQNNUWBLC-NXYGQSRBSA-N 1 2 370.884 3.764 20 30 FHEDLO CSc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043857791 933832014 /nfs/dbraw/zinc/83/20/14/933832014.db2.gz PUIXYJCFZNEUIP-UHFFFAOYSA-N 1 2 366.490 3.630 20 30 FHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092504400 934065240 /nfs/dbraw/zinc/06/52/40/934065240.db2.gz OGSWABLUEZZMGG-UHFFFAOYSA-N 1 2 367.405 3.672 20 30 FHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092504400 934065244 /nfs/dbraw/zinc/06/52/44/934065244.db2.gz OGSWABLUEZZMGG-UHFFFAOYSA-N 1 2 367.405 3.672 20 30 FHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H]3CCC[C@H]32)c1C#N ZINC000610762603 934118784 /nfs/dbraw/zinc/11/87/84/934118784.db2.gz BGAVOMDOXVYTAY-VQIMIIECSA-N 1 2 354.498 3.905 20 30 FHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H]3CCC[C@H]32)c1C#N ZINC000610762603 934118793 /nfs/dbraw/zinc/11/87/93/934118793.db2.gz BGAVOMDOXVYTAY-VQIMIIECSA-N 1 2 354.498 3.905 20 30 FHEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc(OCC)cc1)c1ccccc1Cl ZINC000181161562 934597463 /nfs/dbraw/zinc/59/74/63/934597463.db2.gz QFTKIULFOQRDET-HXUWFJFHSA-N 1 2 358.869 3.720 20 30 FHEDLO C=C(C)[C@@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)OCC ZINC000535883764 934698385 /nfs/dbraw/zinc/69/83/85/934698385.db2.gz WLUTXSZCUUNDBG-GDBMZVCRSA-N 1 2 351.516 3.685 20 30 FHEDLO C=C(C)[C@@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)OCC ZINC000535883764 934698387 /nfs/dbraw/zinc/69/83/87/934698387.db2.gz WLUTXSZCUUNDBG-GDBMZVCRSA-N 1 2 351.516 3.685 20 30 FHEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176286561 934742133 /nfs/dbraw/zinc/74/21/33/934742133.db2.gz QOAYETQODSFKSN-KXBFYZLASA-N 1 2 372.490 3.707 20 30 FHEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176286561 934742135 /nfs/dbraw/zinc/74/21/35/934742135.db2.gz QOAYETQODSFKSN-KXBFYZLASA-N 1 2 372.490 3.707 20 30 FHEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000181670496 934797423 /nfs/dbraw/zinc/79/74/23/934797423.db2.gz AYISWEWYUPTSCY-SJORKVTESA-N 1 2 353.869 3.832 20 30 FHEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000181670496 934797426 /nfs/dbraw/zinc/79/74/26/934797426.db2.gz AYISWEWYUPTSCY-SJORKVTESA-N 1 2 353.869 3.832 20 30 FHEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000519052859 945078180 /nfs/dbraw/zinc/07/81/80/945078180.db2.gz MNJZYPMTKMZRNG-HNNXBMFYSA-N 1 2 361.405 3.757 20 30 FHEDLO CC[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185936736 935187462 /nfs/dbraw/zinc/18/74/62/935187462.db2.gz YJYMXLZAMYSECA-LLVKDONJSA-N 1 2 374.432 3.545 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511064109 935212427 /nfs/dbraw/zinc/21/24/27/935212427.db2.gz JLEUAKUZFPFKSC-ZDUSSCGKSA-N 1 2 355.825 3.921 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000511064109 935212430 /nfs/dbraw/zinc/21/24/30/935212430.db2.gz JLEUAKUZFPFKSC-ZDUSSCGKSA-N 1 2 355.825 3.921 20 30 FHEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000157997728 935261016 /nfs/dbraw/zinc/26/10/16/935261016.db2.gz UGQBXAMDHKRUDX-ZDUSSCGKSA-N 1 2 364.453 3.719 20 30 FHEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2OC)CC1)c1ccccc1 ZINC000427098066 945089479 /nfs/dbraw/zinc/08/94/79/945089479.db2.gz ZLNNAHQCVDLGOV-OAQYLSRUSA-N 1 2 364.489 3.699 20 30 FHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C#N)cc1Cl ZINC000429624778 945105449 /nfs/dbraw/zinc/10/54/49/945105449.db2.gz VARZIBWQGHIBFB-UHFFFAOYSA-N 1 2 359.861 3.915 20 30 FHEDLO COc1cccc(/C=N/C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1O ZINC000158164761 935605916 /nfs/dbraw/zinc/60/59/16/935605916.db2.gz HDDAAGOQVMMNMT-PXLXIMEGSA-N 1 2 353.466 3.555 20 30 FHEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC([C@H](F)c3ccccc3F)CC2)cc1 ZINC000511108143 935606046 /nfs/dbraw/zinc/60/60/46/935606046.db2.gz LVDOPEXPHWFAHT-PMACEKPBSA-N 1 2 369.415 3.647 20 30 FHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000277709410 935844471 /nfs/dbraw/zinc/84/44/71/935844471.db2.gz SBCMSSOTCNDYEO-IBGZPJMESA-N 1 2 367.497 3.912 20 30 FHEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCO1 ZINC000051798991 935890148 /nfs/dbraw/zinc/89/01/48/935890148.db2.gz ZAIALKWYEGNHPD-IBGZPJMESA-N 1 2 354.425 3.887 20 30 FHEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCO1 ZINC000051798991 935890152 /nfs/dbraw/zinc/89/01/52/935890152.db2.gz ZAIALKWYEGNHPD-IBGZPJMESA-N 1 2 354.425 3.887 20 30 FHEDLO COc1cc(C[N@@H+]2CCOCC2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116877736 935955511 /nfs/dbraw/zinc/95/55/11/935955511.db2.gz QEHDTUDSRMOPPO-UHFFFAOYSA-N 1 2 366.461 3.757 20 30 FHEDLO COc1cc(C[N@H+]2CCOCC2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116877736 935955513 /nfs/dbraw/zinc/95/55/13/935955513.db2.gz QEHDTUDSRMOPPO-UHFFFAOYSA-N 1 2 366.461 3.757 20 30 FHEDLO O[C@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cc(F)ccc1F ZINC000117351610 935971117 /nfs/dbraw/zinc/97/11/17/935971117.db2.gz FGIWKDFAVWCNED-LLVKDONJSA-N 1 2 363.248 3.815 20 30 FHEDLO O[C@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cc(F)ccc1F ZINC000117351610 935971119 /nfs/dbraw/zinc/97/11/19/935971119.db2.gz FGIWKDFAVWCNED-LLVKDONJSA-N 1 2 363.248 3.815 20 30 FHEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000582821705 936175528 /nfs/dbraw/zinc/17/55/28/936175528.db2.gz WBSBCBROFXOVCJ-ICSRJNTNSA-N 1 2 352.482 3.991 20 30 FHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000572891442 936275779 /nfs/dbraw/zinc/27/57/79/936275779.db2.gz BMGJSMCPEFGYQT-UHFFFAOYSA-N 1 2 372.472 3.784 20 30 FHEDLO CC[C@H](C#N)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000127041910 938252287 /nfs/dbraw/zinc/25/22/87/938252287.db2.gz BRZWHBSJHHEKDG-OAHLLOKOSA-N 1 2 361.902 3.911 20 30 FHEDLO N#Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1Cl ZINC000572969837 938282195 /nfs/dbraw/zinc/28/21/95/938282195.db2.gz AWACXJLXAKUACE-OAHLLOKOSA-N 1 2 368.868 3.764 20 30 FHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000728570230 938290327 /nfs/dbraw/zinc/29/03/27/938290327.db2.gz YYVBLGWQBBYJIF-KSSFIOAISA-N 1 2 361.461 3.965 20 30 FHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000728570230 938290329 /nfs/dbraw/zinc/29/03/29/938290329.db2.gz YYVBLGWQBBYJIF-KSSFIOAISA-N 1 2 361.461 3.965 20 30 FHEDLO CCCCNC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000052797968 938596422 /nfs/dbraw/zinc/59/64/22/938596422.db2.gz DEEJUVZNFBJXNS-UHFFFAOYSA-N 1 2 353.441 3.616 20 30 FHEDLO CCCCNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000052797968 938596425 /nfs/dbraw/zinc/59/64/25/938596425.db2.gz DEEJUVZNFBJXNS-UHFFFAOYSA-N 1 2 353.441 3.616 20 30 FHEDLO C=CCn1c(COc2ccccc2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000162214498 938863700 /nfs/dbraw/zinc/86/37/00/938863700.db2.gz QTSBECFJTOBTJP-JKSUJKDBSA-N 1 2 358.511 3.867 20 30 FHEDLO C=CCn1c(COc2ccccc2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000162214498 938863702 /nfs/dbraw/zinc/86/37/02/938863702.db2.gz QTSBECFJTOBTJP-JKSUJKDBSA-N 1 2 358.511 3.867 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000151899104 938877007 /nfs/dbraw/zinc/87/70/07/938877007.db2.gz GSLBMSNACIICOD-ICSRJNTNSA-N 1 2 352.409 3.884 20 30 FHEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000151899104 938877008 /nfs/dbraw/zinc/87/70/08/938877008.db2.gz GSLBMSNACIICOD-ICSRJNTNSA-N 1 2 352.409 3.884 20 30 FHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177071839 939175878 /nfs/dbraw/zinc/17/58/78/939175878.db2.gz KGBPTDZWBARCTQ-UHFFFAOYSA-N 1 2 372.852 3.768 20 30 FHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177071839 939175881 /nfs/dbraw/zinc/17/58/81/939175881.db2.gz KGBPTDZWBARCTQ-UHFFFAOYSA-N 1 2 372.852 3.768 20 30 FHEDLO C#Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000179545824 939884511 /nfs/dbraw/zinc/88/45/11/939884511.db2.gz HSLDZBSFCKVPSX-OALUTQOASA-N 1 2 355.388 3.513 20 30 FHEDLO C#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000179545824 939884515 /nfs/dbraw/zinc/88/45/15/939884515.db2.gz HSLDZBSFCKVPSX-OALUTQOASA-N 1 2 355.388 3.513 20 30 FHEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000413657782 939980861 /nfs/dbraw/zinc/98/08/61/939980861.db2.gz ZEKQWAWRORIVSH-NRFANRHFSA-N 1 2 362.477 3.537 20 30 FHEDLO CC(C)c1noc([C@@H](C)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000612543618 940130261 /nfs/dbraw/zinc/13/02/61/940130261.db2.gz DRVSGYZTCDSVLW-HZPDHXFCSA-N 1 2 353.470 3.504 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000065988494 940159995 /nfs/dbraw/zinc/15/99/95/940159995.db2.gz FRXPCSKCYRXKLT-UHFFFAOYSA-N 1 2 374.488 3.872 20 30 FHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000413838685 940172304 /nfs/dbraw/zinc/17/23/04/940172304.db2.gz SLZDNBVQMGCFDI-GOSISDBHSA-N 1 2 352.482 3.548 20 30 FHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000413837024 940175172 /nfs/dbraw/zinc/17/51/72/940175172.db2.gz QDUNHVCOGCRBPG-VQTJNVASSA-N 1 2 366.509 3.572 20 30 FHEDLO C[N@@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580884505 940489994 /nfs/dbraw/zinc/48/99/94/940489994.db2.gz IQZFZAATUNZQOP-ZBFHGGJFSA-N 1 2 365.239 3.678 20 30 FHEDLO C[N@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580884505 940489995 /nfs/dbraw/zinc/48/99/95/940489995.db2.gz IQZFZAATUNZQOP-ZBFHGGJFSA-N 1 2 365.239 3.678 20 30 FHEDLO Cn1cc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180318934 940958636 /nfs/dbraw/zinc/95/86/36/940958636.db2.gz RDZUYEKJPXSDBO-UHFFFAOYSA-N 1 2 372.407 3.896 20 30 FHEDLO CCC(CC)n1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782948544 941324237 /nfs/dbraw/zinc/32/42/37/941324237.db2.gz KMJHFFGXGDDYRV-UHFFFAOYSA-N 1 2 365.275 3.844 20 30 FHEDLO CC(C)(CCC#N)CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000377028867 941496386 /nfs/dbraw/zinc/49/63/86/941496386.db2.gz DTBCFIZLNSPTGF-OALUTQOASA-N 1 2 365.481 3.741 20 30 FHEDLO C=CCCCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472765303 941715449 /nfs/dbraw/zinc/71/54/49/941715449.db2.gz DNSCDZRFXLSCEF-FUHWJXTLSA-N 1 2 369.431 3.895 20 30 FHEDLO C=CCCCCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472765303 941715452 /nfs/dbraw/zinc/71/54/52/941715452.db2.gz DNSCDZRFXLSCEF-FUHWJXTLSA-N 1 2 369.431 3.895 20 30 FHEDLO N#CCCSc1ccccc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377587127 941825317 /nfs/dbraw/zinc/82/53/17/941825317.db2.gz WGPXHDWFMIHMCM-INIZCTEOSA-N 1 2 366.490 3.942 20 30 FHEDLO C=C(CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000501106787 942310076 /nfs/dbraw/zinc/31/00/76/942310076.db2.gz ZFYCTJYUCWIEKJ-UXHICEINSA-N 1 2 371.431 3.723 20 30 FHEDLO C=C(CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000501106787 942310079 /nfs/dbraw/zinc/31/00/79/942310079.db2.gz ZFYCTJYUCWIEKJ-UXHICEINSA-N 1 2 371.431 3.723 20 30 FHEDLO CC[C@@](C)(C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000505308337 942468731 /nfs/dbraw/zinc/46/87/31/942468731.db2.gz PFPOZLXEONJGFP-QAPCUYQASA-N 1 2 351.853 3.672 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+](CCCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000502518709 942493986 /nfs/dbraw/zinc/49/39/86/942493986.db2.gz XEIPRNKDUISVAX-UHFFFAOYSA-N 1 2 366.486 3.511 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+](CCCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000502518709 942493989 /nfs/dbraw/zinc/49/39/89/942493989.db2.gz XEIPRNKDUISVAX-UHFFFAOYSA-N 1 2 366.486 3.511 20 30 FHEDLO C[C@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1cccs1 ZINC000502527244 942500806 /nfs/dbraw/zinc/50/08/06/942500806.db2.gz FUQGDEIAZGVPMN-HNNXBMFYSA-N 1 2 351.475 3.586 20 30 FHEDLO C[C@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1cccs1 ZINC000502527244 942500812 /nfs/dbraw/zinc/50/08/12/942500812.db2.gz FUQGDEIAZGVPMN-HNNXBMFYSA-N 1 2 351.475 3.586 20 30 FHEDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)nn1 ZINC000421403745 942534242 /nfs/dbraw/zinc/53/42/42/942534242.db2.gz OOBQJFVLKOXRHL-UHFFFAOYSA-N 1 2 351.376 3.774 20 30 FHEDLO C=CC[C@H]1CCCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000664253033 942709773 /nfs/dbraw/zinc/70/97/73/942709773.db2.gz VYSZLTGYVJWIMT-PKOBYXMFSA-N 1 2 352.482 3.702 20 30 FHEDLO Cc1cccc(CCCOCCOC(=O)c2ccc(C3(C#N)CC3)cc2)[nH+]1 ZINC000182323513 942716085 /nfs/dbraw/zinc/71/60/85/942716085.db2.gz FULGEOAHYLTFBX-UHFFFAOYSA-N 1 2 364.445 3.751 20 30 FHEDLO CO[C@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(Cl)cc1 ZINC000514107869 942750325 /nfs/dbraw/zinc/75/03/25/942750325.db2.gz RFMLXWREFDBDQU-WOJBJXKFSA-N 1 2 356.853 3.973 20 30 FHEDLO CO[C@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(Cl)cc1 ZINC000514107869 942750328 /nfs/dbraw/zinc/75/03/28/942750328.db2.gz RFMLXWREFDBDQU-WOJBJXKFSA-N 1 2 356.853 3.973 20 30 FHEDLO C[C@@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000378451603 942785182 /nfs/dbraw/zinc/78/51/82/942785182.db2.gz KGGSWPIZWYAKSA-VFNWGFHPSA-N 1 2 364.424 3.902 20 30 FHEDLO C[C@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000378451604 942785328 /nfs/dbraw/zinc/78/53/28/942785328.db2.gz KGGSWPIZWYAKSA-YCRPNKLZSA-N 1 2 364.424 3.902 20 30 FHEDLO CCCCCCCCCCC(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001269832200 942840474 /nfs/dbraw/zinc/84/04/74/942840474.db2.gz JEAFPOVOANGGRA-UHFFFAOYSA-N 1 2 360.546 3.701 20 30 FHEDLO CCCCCCCCCCC(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001269832200 942840480 /nfs/dbraw/zinc/84/04/80/942840480.db2.gz JEAFPOVOANGGRA-UHFFFAOYSA-N 1 2 360.546 3.701 20 30 FHEDLO Cc1cc(F)cc2c1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000502917242 942844091 /nfs/dbraw/zinc/84/40/91/942844091.db2.gz BOSQPZFEVSUFPG-KRWDZBQOSA-N 1 2 365.452 3.828 20 30 FHEDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000502917242 942844096 /nfs/dbraw/zinc/84/40/96/942844096.db2.gz BOSQPZFEVSUFPG-KRWDZBQOSA-N 1 2 365.452 3.828 20 30 FHEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000513787522 943148412 /nfs/dbraw/zinc/14/84/12/943148412.db2.gz AHSUXSRTEALYCC-UHFFFAOYSA-N 1 2 364.470 3.617 20 30 FHEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000513787522 943148416 /nfs/dbraw/zinc/14/84/16/943148416.db2.gz AHSUXSRTEALYCC-UHFFFAOYSA-N 1 2 364.470 3.617 20 30 FHEDLO CCOc1c(Br)cc(C[NH+]2CCC(C)(C#N)CC2)cc1OC ZINC000272554400 943176438 /nfs/dbraw/zinc/17/64/38/943176438.db2.gz RWQCLCWGFVUSEK-UHFFFAOYSA-N 1 2 367.287 3.982 20 30 FHEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c(C(F)(F)F)c1 ZINC000514897773 943367406 /nfs/dbraw/zinc/36/74/06/943367406.db2.gz YXWPDXPLYJEOEO-HNNXBMFYSA-N 1 2 356.294 3.678 20 30 FHEDLO CC(C)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000503750464 943367815 /nfs/dbraw/zinc/36/78/15/943367815.db2.gz SFCYNDBBZSIYKI-RTWAWAEBSA-N 1 2 368.525 3.600 20 30 FHEDLO C=CCn1cc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)nn1 ZINC000424175265 943760346 /nfs/dbraw/zinc/76/03/46/943760346.db2.gz UCPKOIYKUXCJAR-UHFFFAOYSA-N 1 2 364.497 3.546 20 30 FHEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1Cl ZINC000424207265 943788632 /nfs/dbraw/zinc/78/86/32/943788632.db2.gz XRISBGSGSIUBEI-NSHDSACASA-N 1 2 366.870 3.999 20 30 FHEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)nn1 ZINC000424297238 943825233 /nfs/dbraw/zinc/82/52/33/943825233.db2.gz PZXGAFWJCUHKDO-LLVKDONJSA-N 1 2 361.243 3.824 20 30 FHEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)nn1 ZINC000424299616 943826149 /nfs/dbraw/zinc/82/61/49/943826149.db2.gz VSVJMTGXBZNIQU-JTQLQIEISA-N 1 2 374.338 3.518 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)s1 ZINC000506064609 943886915 /nfs/dbraw/zinc/88/69/15/943886915.db2.gz VCDJWWMYHFVVRR-UHFFFAOYSA-N 1 2 365.424 3.956 20 30 FHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC2(C3CCOCC3)CC2)[nH+]1 ZINC001167745123 943914144 /nfs/dbraw/zinc/91/41/44/943914144.db2.gz FBYAFEPFNBMLTL-WUGCZOJMSA-N 1 2 363.527 3.642 20 30 FHEDLO N#Cc1ccnc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000435995168 943921034 /nfs/dbraw/zinc/92/10/34/943921034.db2.gz LYNXGLJCSPAHMG-UHFFFAOYSA-N 1 2 356.429 3.594 20 30 FHEDLO CCn1c2ccc(Br)cc2[nH+]c1NCc1cc(C#N)cs1 ZINC000436019291 943957791 /nfs/dbraw/zinc/95/77/91/943957791.db2.gz HEFDGRZOCWCCGP-UHFFFAOYSA-N 1 2 361.268 3.786 20 30 FHEDLO CC(C)(C#N)CCCCS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000436105993 944020044 /nfs/dbraw/zinc/02/00/44/944020044.db2.gz WTPNAJPVZVZGJT-UHFFFAOYSA-N 1 2 359.495 3.566 20 30 FHEDLO CC(C)S(=O)(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425531838 944254030 /nfs/dbraw/zinc/25/40/30/944254030.db2.gz IFSQYGWDLRTMNF-MRXNPFEDSA-N 1 2 356.491 3.933 20 30 FHEDLO CC(C)S(=O)(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425531838 944254036 /nfs/dbraw/zinc/25/40/36/944254036.db2.gz IFSQYGWDLRTMNF-MRXNPFEDSA-N 1 2 356.491 3.933 20 30 FHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000425541578 944285087 /nfs/dbraw/zinc/28/50/87/944285087.db2.gz WYZZHWJDTWMNJD-GFCCVEGCSA-N 1 2 364.474 3.950 20 30 FHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000425541578 944285096 /nfs/dbraw/zinc/28/50/96/944285096.db2.gz WYZZHWJDTWMNJD-GFCCVEGCSA-N 1 2 364.474 3.950 20 30 FHEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC#Cc2ccc(F)cc2)cn1 ZINC000438101543 944340942 /nfs/dbraw/zinc/34/09/42/944340942.db2.gz TWUGXAXBZCQLIM-OAQYLSRUSA-N 1 2 351.400 3.771 20 30 FHEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC#Cc2ccc(F)cc2)cn1 ZINC000438101543 944340948 /nfs/dbraw/zinc/34/09/48/944340948.db2.gz TWUGXAXBZCQLIM-OAQYLSRUSA-N 1 2 351.400 3.771 20 30 FHEDLO N#Cc1ccccc1COc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000515984684 944396155 /nfs/dbraw/zinc/39/61/55/944396155.db2.gz SQILPZQSYFVSFL-UHFFFAOYSA-N 1 2 374.444 3.544 20 30 FHEDLO CC1(C)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)Cc2ccccc2O1 ZINC000566642130 944425154 /nfs/dbraw/zinc/42/51/54/944425154.db2.gz AFJYQHSBTPQLIG-UHFFFAOYSA-N 1 2 360.417 3.781 20 30 FHEDLO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)Cc2ccccc2O1 ZINC000566642130 944425161 /nfs/dbraw/zinc/42/51/61/944425161.db2.gz AFJYQHSBTPQLIG-UHFFFAOYSA-N 1 2 360.417 3.781 20 30 FHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1C ZINC000506600809 944715761 /nfs/dbraw/zinc/71/57/61/944715761.db2.gz HNNPXFYHWDVIGA-UHFFFAOYSA-N 1 2 370.497 3.860 20 30 FHEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)s1 ZINC000426067838 944790645 /nfs/dbraw/zinc/79/06/45/944790645.db2.gz VIHVXKAIBJKSQT-CQSZACIVSA-N 1 2 373.909 3.721 20 30 FHEDLO C[C@@H](c1ccccc1Br)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000140374580 944866190 /nfs/dbraw/zinc/86/61/90/944866190.db2.gz MXUWYSYGHUGGLR-AWEZNQCLSA-N 1 2 371.282 3.599 20 30 FHEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nccn1CC)C2 ZINC001270164237 944955947 /nfs/dbraw/zinc/95/59/47/944955947.db2.gz RXCRPFIKRYFTDP-UHFFFAOYSA-N 1 2 360.546 3.688 20 30 FHEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2 ZINC001270164237 944955949 /nfs/dbraw/zinc/95/59/49/944955949.db2.gz RXCRPFIKRYFTDP-UHFFFAOYSA-N 1 2 360.546 3.688 20 30 FHEDLO O=C(CC1CCCC1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426994934 944985314 /nfs/dbraw/zinc/98/53/14/944985314.db2.gz LBXXKLUTJPSIMV-UHFFFAOYSA-N 1 2 358.913 3.806 20 30 FHEDLO O=C(CC1CCCC1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426994934 944985317 /nfs/dbraw/zinc/98/53/17/944985317.db2.gz LBXXKLUTJPSIMV-UHFFFAOYSA-N 1 2 358.913 3.806 20 30 FHEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437138207 945049144 /nfs/dbraw/zinc/04/91/44/945049144.db2.gz VTTDEVKYFREISB-UHFFFAOYSA-N 1 2 366.408 3.713 20 30 FHEDLO C[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000330158299 945380973 /nfs/dbraw/zinc/38/09/73/945380973.db2.gz PYNGXNLMZLCKJR-AGHHOFFYSA-N 1 2 366.461 3.896 20 30 FHEDLO C[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000330158299 945380984 /nfs/dbraw/zinc/38/09/84/945380984.db2.gz PYNGXNLMZLCKJR-AGHHOFFYSA-N 1 2 366.461 3.896 20 30 FHEDLO CC(C)c1ccc2c(c1)[C@H]([NH+]=C([O-])N[C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000330183133 945392409 /nfs/dbraw/zinc/39/24/09/945392409.db2.gz HSEAAFAALWKPGW-IEBWSBKVSA-N 1 2 352.482 3.903 20 30 FHEDLO Cc1ccc([C@@H]2C[C@H](C)N(C([O-])=[NH+]C[C@@H]3CCCn4cc[nH+]c43)C2)cc1 ZINC000330206544 945402685 /nfs/dbraw/zinc/40/26/85/945402685.db2.gz DJSLGGICNNGDOH-YTQUADARSA-N 1 2 352.482 3.861 20 30 FHEDLO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC(C)(C)O1 ZINC000330232909 945415674 /nfs/dbraw/zinc/41/56/74/945415674.db2.gz FRBOJILLYPWJSQ-OAHLLOKOSA-N 1 2 368.481 3.931 20 30 FHEDLO CC[C@@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCCO1 ZINC000330250226 945425199 /nfs/dbraw/zinc/42/51/99/945425199.db2.gz MWSWBKKXVZPQHB-MOPGFXCFSA-N 1 2 368.481 3.979 20 30 FHEDLO C[C@]12CC[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]1C2(F)F ZINC000330254827 945427900 /nfs/dbraw/zinc/42/79/00/945427900.db2.gz PJMWRAHPKZDWPO-OCCSQVGLSA-N 1 2 360.307 3.573 20 30 FHEDLO C[C@]12CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]1C2(F)F ZINC000330254827 945427904 /nfs/dbraw/zinc/42/79/04/945427904.db2.gz PJMWRAHPKZDWPO-OCCSQVGLSA-N 1 2 360.307 3.573 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330265941 945434220 /nfs/dbraw/zinc/43/42/20/945434220.db2.gz ZYERPNVSFTUXKH-DZGCQCFKSA-N 1 2 373.522 3.833 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330265941 945434227 /nfs/dbraw/zinc/43/42/27/945434227.db2.gz ZYERPNVSFTUXKH-DZGCQCFKSA-N 1 2 373.522 3.833 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCO1 ZINC000281559535 945767338 /nfs/dbraw/zinc/76/73/38/945767338.db2.gz YCSSWGXPJHZPFQ-JKSUJKDBSA-N 1 2 361.511 3.520 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCO1 ZINC000281559535 945767342 /nfs/dbraw/zinc/76/73/42/945767342.db2.gz YCSSWGXPJHZPFQ-JKSUJKDBSA-N 1 2 361.511 3.520 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519907342 945872379 /nfs/dbraw/zinc/87/23/79/945872379.db2.gz VTFALFBNQJLSSZ-JOCHJYFZSA-N 1 2 367.468 3.882 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519907342 945872391 /nfs/dbraw/zinc/87/23/91/945872391.db2.gz VTFALFBNQJLSSZ-JOCHJYFZSA-N 1 2 367.468 3.882 20 30 FHEDLO C[C@H](c1ccccc1Br)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545505659 945877465 /nfs/dbraw/zinc/87/74/65/945877465.db2.gz VWPNYNTULULQKQ-CQSZACIVSA-N 1 2 371.282 3.599 20 30 FHEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cc(Cl)cc(Cl)c1 ZINC000519903867 945888235 /nfs/dbraw/zinc/88/82/35/945888235.db2.gz FDDWRPRIXULEEF-UHFFFAOYSA-N 1 2 362.260 3.613 20 30 FHEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cc(Cl)cc(Cl)c1 ZINC000519903867 945888236 /nfs/dbraw/zinc/88/82/36/945888236.db2.gz FDDWRPRIXULEEF-UHFFFAOYSA-N 1 2 362.260 3.613 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(OC)cc1 ZINC000054272121 946016724 /nfs/dbraw/zinc/01/67/24/946016724.db2.gz AEMNSSGYSKODCA-UHFFFAOYSA-N 1 2 369.421 3.539 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(OC)cc1 ZINC000054272121 946016733 /nfs/dbraw/zinc/01/67/33/946016733.db2.gz AEMNSSGYSKODCA-UHFFFAOYSA-N 1 2 369.421 3.539 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000441112254 946222082 /nfs/dbraw/zinc/22/20/82/946222082.db2.gz CPPQYTQYWYTANP-FYYLOGMGSA-N 1 2 361.489 3.840 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000441112254 946222102 /nfs/dbraw/zinc/22/21/02/946222102.db2.gz CPPQYTQYWYTANP-FYYLOGMGSA-N 1 2 361.489 3.840 20 30 FHEDLO C=C(C)[C@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302863935 946357664 /nfs/dbraw/zinc/35/76/64/946357664.db2.gz XEMQPNNUKNCWGL-QRWLVFNGSA-N 1 2 374.435 3.835 20 30 FHEDLO C=C(C)[C@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302863935 946357676 /nfs/dbraw/zinc/35/76/76/946357676.db2.gz XEMQPNNUKNCWGL-QRWLVFNGSA-N 1 2 374.435 3.835 20 30 FHEDLO N#Cc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc2ccccc12 ZINC000609890648 946491860 /nfs/dbraw/zinc/49/18/60/946491860.db2.gz HVFGBVSJHCRVAN-NRFANRHFSA-N 1 2 358.445 3.592 20 30 FHEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508490365 946545171 /nfs/dbraw/zinc/54/51/71/946545171.db2.gz BRVKKDUXEITYLC-UHFFFAOYSA-N 1 2 359.905 3.563 20 30 FHEDLO C=CCN(Cc1ccccc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019341 946613087 /nfs/dbraw/zinc/61/30/87/946613087.db2.gz NFHUNKAOPCQSNF-UHFFFAOYSA-N 1 2 360.461 3.829 20 30 FHEDLO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+]CC3(C#N)CCC3)o2)CC1 ZINC000894968127 946715691 /nfs/dbraw/zinc/71/56/91/946715691.db2.gz ZJULUYDFGXXOMR-UHFFFAOYSA-N 1 2 373.497 3.621 20 30 FHEDLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)C1 ZINC000186679292 946847388 /nfs/dbraw/zinc/84/73/88/946847388.db2.gz GHSUKMRXMUGVRO-OAHLLOKOSA-N 1 2 359.901 3.682 20 30 FHEDLO CC[C@@H](C#N)Oc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000113925518 946932658 /nfs/dbraw/zinc/93/26/58/946932658.db2.gz HSCUTQNRCRPAQH-KRWDZBQOSA-N 1 2 351.454 3.760 20 30 FHEDLO CC[C@@H](C#N)Oc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000113925518 946932663 /nfs/dbraw/zinc/93/26/63/946932663.db2.gz HSCUTQNRCRPAQH-KRWDZBQOSA-N 1 2 351.454 3.760 20 30 FHEDLO O=C(Nc1scnc1C1CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328656328 946966722 /nfs/dbraw/zinc/96/67/22/946966722.db2.gz NQTSXXFYNKXAJT-CQSZACIVSA-N 1 2 371.510 3.978 20 30 FHEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C1CCC1)C1CCCCC1 ZINC000328766413 947018013 /nfs/dbraw/zinc/01/80/13/947018013.db2.gz HEGHQERGBABZBV-RBUKOAKNSA-N 1 2 372.513 3.649 20 30 FHEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C1CCC1)C1CCCCC1 ZINC000328766413 947018024 /nfs/dbraw/zinc/01/80/24/947018024.db2.gz HEGHQERGBABZBV-RBUKOAKNSA-N 1 2 372.513 3.649 20 30 FHEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000328731652 947026782 /nfs/dbraw/zinc/02/67/82/947026782.db2.gz IPCXNACYPKOECO-OKYOBFRVSA-N 1 2 350.466 3.523 20 30 FHEDLO CC(C)(C#N)CCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000444676981 947099875 /nfs/dbraw/zinc/09/98/75/947099875.db2.gz OYGYZKXMBFIOFL-INIZCTEOSA-N 1 2 367.415 3.898 20 30 FHEDLO CC(C)(C#N)CCCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000444676981 947099891 /nfs/dbraw/zinc/09/98/91/947099891.db2.gz OYGYZKXMBFIOFL-INIZCTEOSA-N 1 2 367.415 3.898 20 30 FHEDLO O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328955626 947101005 /nfs/dbraw/zinc/10/10/05/947101005.db2.gz NHBCUAAPVXQWNP-LSDHHAIUSA-N 1 2 358.873 3.724 20 30 FHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC2CCC(F)(F)CC2)c1C ZINC000330424055 947172950 /nfs/dbraw/zinc/17/29/50/947172950.db2.gz RGHLPKIPSGHJCT-UHFFFAOYSA-N 1 2 355.429 3.878 20 30 FHEDLO C=CCCO[C@@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665005227 947266089 /nfs/dbraw/zinc/26/60/89/947266089.db2.gz MVGYCOQXWLVKCS-BQFCYCMXSA-N 1 2 357.454 3.685 20 30 FHEDLO C=CCCO[C@@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665005227 947266098 /nfs/dbraw/zinc/26/60/98/947266098.db2.gz MVGYCOQXWLVKCS-BQFCYCMXSA-N 1 2 357.454 3.685 20 30 FHEDLO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331295342 947391090 /nfs/dbraw/zinc/39/10/90/947391090.db2.gz CKYAYOXVMAZVCD-DOTOQJQBSA-N 1 2 360.502 3.569 20 30 FHEDLO COc1cccc2c(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc[nH+]c12 ZINC000440634002 947427985 /nfs/dbraw/zinc/42/79/85/947427985.db2.gz FWVWUQBSJVZPJA-LJQANCHMSA-N 1 2 372.428 3.723 20 30 FHEDLO O=C1/C(=C/c2cccc3nccn32)CSC/C1=C\c1cccc2[nH+]ccn21 ZINC000178943893 947644295 /nfs/dbraw/zinc/64/42/95/947644295.db2.gz LOAXRUKDPHZWCE-JOBJLJCHSA-N 1 2 372.453 3.765 20 30 FHEDLO Cn1ccnc1COc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000178944763 947684076 /nfs/dbraw/zinc/68/40/76/947684076.db2.gz APRJQVFCTXUUGF-JXMROGBWSA-N 1 2 358.401 3.543 20 30 FHEDLO COC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000053898087 947719715 /nfs/dbraw/zinc/71/97/15/947719715.db2.gz INPBGZWPWCSOCG-UHFFFAOYSA-N 1 2 372.513 3.531 20 30 FHEDLO C=C(Br)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000178510846 948034988 /nfs/dbraw/zinc/03/49/88/948034988.db2.gz BWNLCKIYILXIBA-UHFFFAOYSA-N 1 2 373.678 3.605 20 30 FHEDLO COc1cccc(C(=O)N2CCC([NH2+]C3(C#N)CCCCCC3)CC2)c1 ZINC001167849931 948538347 /nfs/dbraw/zinc/53/83/47/948538347.db2.gz KFALJQOEJKEIBN-UHFFFAOYSA-N 1 2 355.482 3.506 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000512180649 948693753 /nfs/dbraw/zinc/69/37/53/948693753.db2.gz ARIZNSDSKSVDQY-QGZVFWFLSA-N 1 2 356.466 3.794 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000512180649 948693756 /nfs/dbraw/zinc/69/37/56/948693756.db2.gz ARIZNSDSKSVDQY-QGZVFWFLSA-N 1 2 356.466 3.794 20 30 FHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000525787626 948732776 /nfs/dbraw/zinc/73/27/76/948732776.db2.gz FUZDBYIRSCLHMS-QGZVFWFLSA-N 1 2 374.400 3.674 20 30 FHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000525787626 948732782 /nfs/dbraw/zinc/73/27/82/948732782.db2.gz FUZDBYIRSCLHMS-QGZVFWFLSA-N 1 2 374.400 3.674 20 30 FHEDLO N#CCC[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000602130959 567940424 /nfs/dbraw/zinc/94/04/24/567940424.db2.gz ZHYFTZUHJIKBER-HUUCEWRRSA-N 1 2 350.344 3.538 20 30 FHEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602858691 568003085 /nfs/dbraw/zinc/00/30/85/568003085.db2.gz UQVWIFVJXRMBRA-QZTJIDSGSA-N 1 2 370.541 3.790 20 30 FHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602884031 568005174 /nfs/dbraw/zinc/00/51/74/568005174.db2.gz ZGSVYTFUDJTXJI-YOEHRIQHSA-N 1 2 369.494 3.580 20 30 FHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602884031 568005175 /nfs/dbraw/zinc/00/51/75/568005175.db2.gz ZGSVYTFUDJTXJI-YOEHRIQHSA-N 1 2 369.494 3.580 20 30 FHEDLO CSC1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000602923673 568017904 /nfs/dbraw/zinc/01/79/04/568017904.db2.gz UQFZJTBMEOVNPR-CQSZACIVSA-N 1 2 363.552 3.847 20 30 FHEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602799064 568036029 /nfs/dbraw/zinc/03/60/29/568036029.db2.gz AJNMWOTWHGRWDD-FQEVSTJZSA-N 1 2 364.493 3.615 20 30 FHEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000602799064 568036031 /nfs/dbraw/zinc/03/60/31/568036031.db2.gz AJNMWOTWHGRWDD-FQEVSTJZSA-N 1 2 364.493 3.615 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c(C(F)(F)F)c1 ZINC000569280531 568330212 /nfs/dbraw/zinc/33/02/12/568330212.db2.gz LKIFDQUDJDXVCP-UHFFFAOYSA-N 1 2 361.367 3.605 20 30 FHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)s1 ZINC000569413310 568401252 /nfs/dbraw/zinc/40/12/52/568401252.db2.gz ABIFQSAJJSUMNB-UHFFFAOYSA-N 1 2 372.469 3.671 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1-c1nc([C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000570024238 568441781 /nfs/dbraw/zinc/44/17/81/568441781.db2.gz ZNLIUGWOUKTNCI-HNNXBMFYSA-N 1 2 366.446 3.667 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1-c1nc([C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000570024238 568441783 /nfs/dbraw/zinc/44/17/83/568441783.db2.gz ZNLIUGWOUKTNCI-HNNXBMFYSA-N 1 2 366.446 3.667 20 30 FHEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1)CCCC2 ZINC000328625834 571324676 /nfs/dbraw/zinc/32/46/76/571324676.db2.gz DNQMQXHNZMJUIM-SFHVURJKSA-N 1 2 369.513 3.619 20 30 FHEDLO CC(=[NH+]Nc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000823958604 607843395 /nfs/dbraw/zinc/84/33/95/607843395.db2.gz SHOLWGWVHXBEKS-UHFFFAOYSA-N 1 2 362.224 3.592 20 30 FHEDLO C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)CC1 ZINC001165034232 721872542 /nfs/dbraw/zinc/87/25/42/721872542.db2.gz HNIMVYAPEHPKRP-UHFFFAOYSA-N 1 2 364.827 3.650 20 30 FHEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)on1 ZINC000052011266 936314024 /nfs/dbraw/zinc/31/40/24/936314024.db2.gz CNEPMBLHVQAWQY-IBGZPJMESA-N 1 2 366.465 3.684 20 30 FHEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)on1 ZINC000052011266 936314028 /nfs/dbraw/zinc/31/40/28/936314028.db2.gz CNEPMBLHVQAWQY-IBGZPJMESA-N 1 2 366.465 3.684 20 30 FHEDLO C=CCOCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000583149446 937173278 /nfs/dbraw/zinc/17/32/78/937173278.db2.gz QLAJJWIBTRXGME-INIZCTEOSA-N 1 2 357.281 3.989 20 30 FHEDLO C=CCOCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000583149446 937173279 /nfs/dbraw/zinc/17/32/79/937173279.db2.gz QLAJJWIBTRXGME-INIZCTEOSA-N 1 2 357.281 3.989 20 30 FHEDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000430237819 928395581 /nfs/dbraw/zinc/39/55/81/928395581.db2.gz JFJXABLFASZNKG-OALUTQOASA-N 1 2 351.406 3.875 20 30 FHEDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000430237819 928395597 /nfs/dbraw/zinc/39/55/97/928395597.db2.gz JFJXABLFASZNKG-OALUTQOASA-N 1 2 351.406 3.875 20 30 FHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000610323892 929943923 /nfs/dbraw/zinc/94/39/23/929943923.db2.gz WWBDBXQQOYVOBY-SFHVURJKSA-N 1 2 363.396 3.536 20 30 FHEDLO C[C@H](c1cccc(Br)c1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000580028327 929944809 /nfs/dbraw/zinc/94/48/09/929944809.db2.gz VJKZYTSPIOFYEI-CQSZACIVSA-N 1 2 371.282 3.599 20 30 FHEDLO C[C@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(C#N)c1 ZINC000610357892 930118982 /nfs/dbraw/zinc/11/89/82/930118982.db2.gz VYNVMQRJSZZZGO-JXFKEZNVSA-N 1 2 373.460 3.636 20 30 FHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)c1C#N ZINC000548098245 930705077 /nfs/dbraw/zinc/70/50/77/930705077.db2.gz ICRYBTFKVJCYQI-KBPBESRZSA-N 1 2 368.456 3.585 20 30 FHEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000510342287 931091476 /nfs/dbraw/zinc/09/14/76/931091476.db2.gz NJHWJIGFFWCUHY-CQSZACIVSA-N 1 2 373.909 3.872 20 30 FHEDLO CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000121265674 931450434 /nfs/dbraw/zinc/45/04/34/931450434.db2.gz GIGOZGGTNONQPV-PBHICJAKSA-N 1 2 368.506 3.984 20 30 FHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156792876 931525481 /nfs/dbraw/zinc/52/54/81/931525481.db2.gz ZYWRTJYCQMNEIE-FOIQADDNSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156792876 931525489 /nfs/dbraw/zinc/52/54/89/931525489.db2.gz ZYWRTJYCQMNEIE-FOIQADDNSA-N 1 2 372.465 3.554 20 30 FHEDLO C=CC[C@@H](CC)NC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000375640329 932230737 /nfs/dbraw/zinc/23/07/37/932230737.db2.gz OIXCGAYRRSQJAU-QGZVFWFLSA-N 1 2 373.545 3.873 20 30 FHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000581840323 932718379 /nfs/dbraw/zinc/71/83/79/932718379.db2.gz DQTMHNNXXYFVHI-AWEZNQCLSA-N 1 2 360.479 3.781 20 30 FHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000581840323 932718382 /nfs/dbraw/zinc/71/83/82/932718382.db2.gz DQTMHNNXXYFVHI-AWEZNQCLSA-N 1 2 360.479 3.781 20 30 FHEDLO CCC[N@H+](CC(=O)OC)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000471822272 933051156 /nfs/dbraw/zinc/05/11/56/933051156.db2.gz MRUXCSHTJTWGIL-UHFFFAOYSA-N 1 2 352.434 3.522 20 30 FHEDLO CCC[N@@H+](CC(=O)OC)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000471822272 933051160 /nfs/dbraw/zinc/05/11/60/933051160.db2.gz MRUXCSHTJTWGIL-UHFFFAOYSA-N 1 2 352.434 3.522 20 30 FHEDLO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1ccc(C#N)cc1N ZINC001213355776 933116439 /nfs/dbraw/zinc/11/64/39/933116439.db2.gz VYTRUOQQHBFFQM-UHFFFAOYSA-N 1 2 356.227 3.911 20 30 FHEDLO COC(=O)c1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1F ZINC000610682270 933771212 /nfs/dbraw/zinc/77/12/12/933771212.db2.gz KOORWGMLOUVKDA-QWRGUYRKSA-N 1 2 373.268 3.785 20 30 FHEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1cccc2ccccc21 ZINC000510905244 934004172 /nfs/dbraw/zinc/00/41/72/934004172.db2.gz ODSIFFBBIBEFLF-HZPDHXFCSA-N 1 2 353.441 3.733 20 30 FHEDLO CC1(C)c2ccc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2NC1=O ZINC000328999196 934082221 /nfs/dbraw/zinc/08/22/21/934082221.db2.gz VHFNUBQIVQSWFK-CQSZACIVSA-N 1 2 350.422 3.544 20 30 FHEDLO Cc1cc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c(C)c[nH+]1 ZINC000535773291 934362416 /nfs/dbraw/zinc/36/24/16/934362416.db2.gz FFJQMPXOVCTIKA-UHFFFAOYSA-N 1 2 364.449 3.504 20 30 FHEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176286542 934742247 /nfs/dbraw/zinc/74/22/47/934742247.db2.gz QOAYETQODSFKSN-DNVCBOLYSA-N 1 2 372.490 3.707 20 30 FHEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176286542 934742249 /nfs/dbraw/zinc/74/22/49/934742249.db2.gz QOAYETQODSFKSN-DNVCBOLYSA-N 1 2 372.490 3.707 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)[N@H+](C)C1 ZINC000329027086 934918379 /nfs/dbraw/zinc/91/83/79/934918379.db2.gz VVZVJFFGOQUROT-ZOBUZTSGSA-N 1 2 371.506 3.723 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)[N@@H+](C)C1 ZINC000329027086 934918381 /nfs/dbraw/zinc/91/83/81/934918381.db2.gz VVZVJFFGOQUROT-ZOBUZTSGSA-N 1 2 371.506 3.723 20 30 FHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(CC(F)(F)F)CC3)o2)c1 ZINC000551405711 935269698 /nfs/dbraw/zinc/26/96/98/935269698.db2.gz ZGZCCLLHGHKEBF-UHFFFAOYSA-N 1 2 350.344 3.773 20 30 FHEDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000127591704 935640275 /nfs/dbraw/zinc/64/02/75/935640275.db2.gz YZISEEOUKKLFRK-CQSZACIVSA-N 1 2 368.506 3.915 20 30 FHEDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000127591704 935640278 /nfs/dbraw/zinc/64/02/78/935640278.db2.gz YZISEEOUKKLFRK-CQSZACIVSA-N 1 2 368.506 3.915 20 30 FHEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000158389546 935765632 /nfs/dbraw/zinc/76/56/32/935765632.db2.gz GPJRHQGXXASVCC-UHFFFAOYSA-N 1 2 363.436 3.754 20 30 FHEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000158389546 935765633 /nfs/dbraw/zinc/76/56/33/935765633.db2.gz GPJRHQGXXASVCC-UHFFFAOYSA-N 1 2 363.436 3.754 20 30 FHEDLO Cc1ccccc1C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135172885 935905434 /nfs/dbraw/zinc/90/54/34/935905434.db2.gz QZWKNCYMBHKUEX-UHFFFAOYSA-N 1 2 366.892 3.894 20 30 FHEDLO N#Cc1c(F)cccc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000187813054 936082721 /nfs/dbraw/zinc/08/27/21/936082721.db2.gz VVCFSHONOMININ-UHFFFAOYSA-N 1 2 371.843 3.699 20 30 FHEDLO N#Cc1c(F)cccc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000187813054 936082724 /nfs/dbraw/zinc/08/27/24/936082724.db2.gz VVCFSHONOMININ-UHFFFAOYSA-N 1 2 371.843 3.699 20 30 FHEDLO C=C(C)[C@H]([NH2+]Cc1cc(=O)n2c(C)csc2n1)c1ccc(F)c(F)c1 ZINC000187767739 936090857 /nfs/dbraw/zinc/09/08/57/936090857.db2.gz FEZHFKKVSYUTFF-KRWDZBQOSA-N 1 2 361.417 3.750 20 30 FHEDLO C=CCN(CC=C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247080187 938434116 /nfs/dbraw/zinc/43/41/16/938434116.db2.gz VXMIXYNPFUYUBG-DLBZAZTESA-N 1 2 351.853 3.608 20 30 FHEDLO C=CCN(CC=C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247080187 938434119 /nfs/dbraw/zinc/43/41/19/938434119.db2.gz VXMIXYNPFUYUBG-DLBZAZTESA-N 1 2 351.853 3.608 20 30 FHEDLO N#Cc1sc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc1Cl ZINC000278463964 938454207 /nfs/dbraw/zinc/45/42/07/938454207.db2.gz BJRKLOXSCIUWIV-UHFFFAOYSA-N 1 2 369.881 3.670 20 30 FHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC001167673697 938579783 /nfs/dbraw/zinc/57/97/83/938579783.db2.gz DMUUCDJOQODACI-GOSISDBHSA-N 1 2 372.831 3.747 20 30 FHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC001167673697 938579785 /nfs/dbraw/zinc/57/97/85/938579785.db2.gz DMUUCDJOQODACI-GOSISDBHSA-N 1 2 372.831 3.747 20 30 FHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000052825703 938614746 /nfs/dbraw/zinc/61/47/46/938614746.db2.gz RCLAIMYHLJAURE-UHFFFAOYSA-N 1 2 372.428 3.953 20 30 FHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000052825703 938614748 /nfs/dbraw/zinc/61/47/48/938614748.db2.gz RCLAIMYHLJAURE-UHFFFAOYSA-N 1 2 372.428 3.953 20 30 FHEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])ccc1SC ZINC000519604271 945197371 /nfs/dbraw/zinc/19/73/71/945197371.db2.gz JLANMDYTSNMXBP-UHFFFAOYSA-N 1 2 357.435 3.829 20 30 FHEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])ccc1SC ZINC000519604271 945197375 /nfs/dbraw/zinc/19/73/75/945197375.db2.gz JLANMDYTSNMXBP-UHFFFAOYSA-N 1 2 357.435 3.829 20 30 FHEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000118392292 938830664 /nfs/dbraw/zinc/83/06/64/938830664.db2.gz YDBJAEKKGBBKHH-OAHLLOKOSA-N 1 2 353.853 3.731 20 30 FHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248788316 938931948 /nfs/dbraw/zinc/93/19/48/938931948.db2.gz NBVPYHMDURMDFG-IUODEOHRSA-N 1 2 353.388 3.796 20 30 FHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248788316 938931949 /nfs/dbraw/zinc/93/19/49/938931949.db2.gz NBVPYHMDURMDFG-IUODEOHRSA-N 1 2 353.388 3.796 20 30 FHEDLO N#CCCC[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000458800617 938947079 /nfs/dbraw/zinc/94/70/79/938947079.db2.gz LKZQSGRIJVIROQ-QZTJIDSGSA-N 1 2 351.454 3.734 20 30 FHEDLO N#Cc1ccccc1Oc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1Cl ZINC000179248722 938997988 /nfs/dbraw/zinc/99/79/88/938997988.db2.gz VPEFKNPDNUEYQS-UHFFFAOYSA-N 1 2 366.808 3.700 20 30 FHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255613993 939004786 /nfs/dbraw/zinc/00/47/86/939004786.db2.gz NBENGJMMTHVABJ-DOOKAGJSSA-N 1 2 363.436 3.616 20 30 FHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(C#N)C3)n2)C1 ZINC000612036646 939023149 /nfs/dbraw/zinc/02/31/49/939023149.db2.gz LKKMOVIHLLKTIZ-KSSFIOAISA-N 1 2 361.515 3.533 20 30 FHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(C#N)C3)n2)C1 ZINC000612036646 939023151 /nfs/dbraw/zinc/02/31/51/939023151.db2.gz LKKMOVIHLLKTIZ-KSSFIOAISA-N 1 2 361.515 3.533 20 30 FHEDLO N#Cc1csc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000507401587 945223048 /nfs/dbraw/zinc/22/30/48/945223048.db2.gz JQCJLFJBNLSYBE-UHFFFAOYSA-N 1 2 370.865 3.812 20 30 FHEDLO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@@](C)(C#N)C4)nc(N)c23)C1 ZINC000612155087 939154583 /nfs/dbraw/zinc/15/45/83/939154583.db2.gz NWPYYOKAUBHLCI-RBZFPXEDSA-N 1 2 369.538 3.566 20 30 FHEDLO C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@@](C)(C#N)C4)nc(N)c23)C1 ZINC000612155087 939154587 /nfs/dbraw/zinc/15/45/87/939154587.db2.gz NWPYYOKAUBHLCI-RBZFPXEDSA-N 1 2 369.538 3.566 20 30 FHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(N4CCOCC4)c(F)c3)c[nH+]c12 ZINC000255873988 940319254 /nfs/dbraw/zinc/31/92/54/940319254.db2.gz XALHGODPIHSBRT-ALCCZGGFSA-N 1 2 365.408 3.515 20 30 FHEDLO COc1ccc(CC(N)=[NH+]O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000177671792 940344226 /nfs/dbraw/zinc/34/42/26/940344226.db2.gz CGNVCKGXHOFRCB-AWEZNQCLSA-N 1 2 366.421 3.646 20 30 FHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376448873 941024938 /nfs/dbraw/zinc/02/49/38/941024938.db2.gz KUZJDIFXWQGRLJ-UHFFFAOYSA-N 1 2 357.339 3.631 20 30 FHEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180543768 941045893 /nfs/dbraw/zinc/04/58/93/941045893.db2.gz QPJFTNNVYJAOKL-MJGOQNOKSA-N 1 2 359.491 3.637 20 30 FHEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180543768 941045896 /nfs/dbraw/zinc/04/58/96/941045896.db2.gz QPJFTNNVYJAOKL-MJGOQNOKSA-N 1 2 359.491 3.637 20 30 FHEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181186639 941112333 /nfs/dbraw/zinc/11/23/33/941112333.db2.gz IYJGWWRVLXBBPT-INIZCTEOSA-N 1 2 359.271 3.564 20 30 FHEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181186639 941112334 /nfs/dbraw/zinc/11/23/34/941112334.db2.gz IYJGWWRVLXBBPT-INIZCTEOSA-N 1 2 359.271 3.564 20 30 FHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189563289 941161266 /nfs/dbraw/zinc/16/12/66/941161266.db2.gz XUKYFKIFAPCMEB-MSOLQXFVSA-N 1 2 374.366 3.542 20 30 FHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189563289 941161267 /nfs/dbraw/zinc/16/12/67/941161267.db2.gz XUKYFKIFAPCMEB-MSOLQXFVSA-N 1 2 374.366 3.542 20 30 FHEDLO COc1cccc(OC)c1OC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000103140807 941211511 /nfs/dbraw/zinc/21/15/11/941211511.db2.gz QNGABNMEWSIHHE-UHFFFAOYSA-N 1 2 370.424 3.758 20 30 FHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)s1 ZINC000178586773 941281983 /nfs/dbraw/zinc/28/19/83/941281983.db2.gz PKWGDSOPVQXEAY-UHFFFAOYSA-N 1 2 368.506 3.840 20 30 FHEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000376596701 941287541 /nfs/dbraw/zinc/28/75/41/941287541.db2.gz WVGNULCOABWXOO-SFHVURJKSA-N 1 2 362.477 3.583 20 30 FHEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000376596700 941287658 /nfs/dbraw/zinc/28/76/58/941287658.db2.gz WVGNULCOABWXOO-GOSISDBHSA-N 1 2 362.477 3.583 20 30 FHEDLO NC(=[NH+]OCc1coc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000782947904 941324930 /nfs/dbraw/zinc/32/49/30/941324930.db2.gz FUJIPQTWELJEJQ-UHFFFAOYSA-N 1 2 372.222 3.941 20 30 FHEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000377254621 941594942 /nfs/dbraw/zinc/59/49/42/941594942.db2.gz VZJLXAXPWSJYOW-QFIPXVFZSA-N 1 2 361.445 3.814 20 30 FHEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000377254621 941594943 /nfs/dbraw/zinc/59/49/43/941594943.db2.gz VZJLXAXPWSJYOW-QFIPXVFZSA-N 1 2 361.445 3.814 20 30 FHEDLO COc1ccc(CC(N)=[NH+]OCc2cc(C)nc3ccccc23)cc1OC ZINC000174132658 941702313 /nfs/dbraw/zinc/70/23/13/941702313.db2.gz NUJUWKIBGAARGA-UHFFFAOYSA-N 1 2 365.433 3.592 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2c(F)cncc2F)c1 ZINC000513247856 941806418 /nfs/dbraw/zinc/80/64/18/941806418.db2.gz XVVDRZYOXAGHCX-OAHLLOKOSA-N 1 2 372.419 3.574 20 30 FHEDLO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1c(F)cncc1F ZINC000513275838 941826055 /nfs/dbraw/zinc/82/60/55/941826055.db2.gz KPNKWOWFEHEDMY-NSHDSACASA-N 1 2 356.294 3.961 20 30 FHEDLO C[C@@H]1COCC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000328678635 941978185 /nfs/dbraw/zinc/97/81/85/941978185.db2.gz MMNJNHURUVAONI-HNNXBMFYSA-N 1 2 360.454 3.675 20 30 FHEDLO C[C@@H]1COCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000328678635 941978188 /nfs/dbraw/zinc/97/81/88/941978188.db2.gz MMNJNHURUVAONI-HNNXBMFYSA-N 1 2 360.454 3.675 20 30 FHEDLO CC(=O)N(c1nc(C[NH2+]CC2(CC#N)CC2)cs1)c1ccc(C)cc1 ZINC000430023420 941990070 /nfs/dbraw/zinc/99/00/70/941990070.db2.gz OAAMAVLRDGOJOF-UHFFFAOYSA-N 1 2 354.479 3.920 20 30 FHEDLO N#Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)ccc1Oc1ccccc1 ZINC000377807289 942004283 /nfs/dbraw/zinc/00/42/83/942004283.db2.gz PHGLOBUAJCKYAO-UHFFFAOYSA-N 1 2 359.389 3.595 20 30 FHEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000328774179 942052994 /nfs/dbraw/zinc/05/29/94/942052994.db2.gz KFZBFPCCZUKTMS-ZYSHUDEJSA-N 1 2 372.513 3.649 20 30 FHEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000328774179 942052999 /nfs/dbraw/zinc/05/29/99/942052999.db2.gz KFZBFPCCZUKTMS-ZYSHUDEJSA-N 1 2 372.513 3.649 20 30 FHEDLO CC(C)[C@H]1OCCC[C@@H]1Nc1cc(NCc2ccc(C#N)s2)[nH+]cn1 ZINC000420612499 942118541 /nfs/dbraw/zinc/11/85/41/942118541.db2.gz UXXFXEGVNWUNAV-MAUKXSAKSA-N 1 2 357.483 3.637 20 30 FHEDLO CC(C)[C@H]1OCCC[C@@H]1Nc1cc(NCc2ccc(C#N)s2)nc[nH+]1 ZINC000420612499 942118544 /nfs/dbraw/zinc/11/85/44/942118544.db2.gz UXXFXEGVNWUNAV-MAUKXSAKSA-N 1 2 357.483 3.637 20 30 FHEDLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCc2ccc(C#N)s2)[nH+]cn1 ZINC000420612501 942118752 /nfs/dbraw/zinc/11/87/52/942118752.db2.gz UXXFXEGVNWUNAV-YJBOKZPZSA-N 1 2 357.483 3.637 20 30 FHEDLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCc2ccc(C#N)s2)nc[nH+]1 ZINC000420612501 942118757 /nfs/dbraw/zinc/11/87/57/942118757.db2.gz UXXFXEGVNWUNAV-YJBOKZPZSA-N 1 2 357.483 3.637 20 30 FHEDLO COc1cccc(C=C2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000472926016 942130730 /nfs/dbraw/zinc/13/07/30/942130730.db2.gz JMLSBJBIUOFHII-HTAPYJJXSA-N 1 2 369.509 3.617 20 30 FHEDLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000378093948 942271446 /nfs/dbraw/zinc/27/14/46/942271446.db2.gz IENRTFOLNGZIPJ-OAHLLOKOSA-N 1 2 359.433 3.519 20 30 FHEDLO C=C(CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000501106785 942310038 /nfs/dbraw/zinc/31/00/38/942310038.db2.gz ZFYCTJYUCWIEKJ-PMACEKPBSA-N 1 2 371.431 3.723 20 30 FHEDLO C=C(CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000501106785 942310042 /nfs/dbraw/zinc/31/00/42/942310042.db2.gz ZFYCTJYUCWIEKJ-PMACEKPBSA-N 1 2 371.431 3.723 20 30 FHEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000502309352 942359420 /nfs/dbraw/zinc/35/94/20/942359420.db2.gz AELFYJSJLSTWKU-HXUWFJFHSA-N 1 2 355.482 3.837 20 30 FHEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000502309352 942359423 /nfs/dbraw/zinc/35/94/23/942359423.db2.gz AELFYJSJLSTWKU-HXUWFJFHSA-N 1 2 355.482 3.837 20 30 FHEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(F)c(F)c1 ZINC000414432907 942440147 /nfs/dbraw/zinc/44/01/47/942440147.db2.gz NJPWNZYPYMLLSL-MRXNPFEDSA-N 1 2 357.447 3.837 20 30 FHEDLO Cc1[nH+]c(CNCc2cn(CCC#N)nc2-c2ccccc2)c2n1CCCC2 ZINC000378395660 942705967 /nfs/dbraw/zinc/70/59/67/942705967.db2.gz MBYGHPVFCAMMRS-UHFFFAOYSA-N 1 2 374.492 3.595 20 30 FHEDLO CC1(C)C[S@](=O)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000502902593 942843012 /nfs/dbraw/zinc/84/30/12/942843012.db2.gz DJXCVYBBVUMAGX-AREMUKBSSA-N 1 2 366.530 3.729 20 30 FHEDLO CC1(C)C[S@](=O)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000502902593 942843014 /nfs/dbraw/zinc/84/30/14/942843014.db2.gz DJXCVYBBVUMAGX-AREMUKBSSA-N 1 2 366.530 3.729 20 30 FHEDLO Cc1cc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c(C#N)cn1 ZINC000425204221 942981044 /nfs/dbraw/zinc/98/10/44/942981044.db2.gz TZDFNCHTYZGUAX-UHFFFAOYSA-N 1 2 360.383 3.603 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000434894213 943024905 /nfs/dbraw/zinc/02/49/05/943024905.db2.gz FZSJNLIQLGJPFU-FQEVSTJZSA-N 1 2 363.452 3.764 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000434894213 943024911 /nfs/dbraw/zinc/02/49/11/943024911.db2.gz FZSJNLIQLGJPFU-FQEVSTJZSA-N 1 2 363.452 3.764 20 30 FHEDLO C=C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2ccccc2OC)C1)c1ccccc1 ZINC000505558124 943026782 /nfs/dbraw/zinc/02/67/82/943026782.db2.gz PDFLPYYTPRYXPW-FXAWDEMLSA-N 1 2 350.462 3.528 20 30 FHEDLO CC1(C#N)CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000272602184 943184832 /nfs/dbraw/zinc/18/48/32/943184832.db2.gz RBUYZPNMCTYFHG-IBGZPJMESA-N 1 2 371.481 3.718 20 30 FHEDLO COc1ccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)c(OC)c1 ZINC000272644220 943192076 /nfs/dbraw/zinc/19/20/76/943192076.db2.gz YDTKYYJZJKPQES-UHFFFAOYSA-N 1 2 357.479 3.953 20 30 FHEDLO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000014855715 943468280 /nfs/dbraw/zinc/46/82/80/943468280.db2.gz HTSPSRMUIXFFOL-UHFFFAOYSA-N 1 2 371.440 3.776 20 30 FHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC2(C3CCOCC3)CC2)[nH+]1 ZINC001167745122 943914345 /nfs/dbraw/zinc/91/43/45/943914345.db2.gz FBYAFEPFNBMLTL-VGNXUAKHSA-N 1 2 363.527 3.642 20 30 FHEDLO CC[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000504967491 943943313 /nfs/dbraw/zinc/94/33/13/943943313.db2.gz PWFIFGYBUDPWQD-OAQYLSRUSA-N 1 2 361.489 3.786 20 30 FHEDLO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c1C#N ZINC000566527559 943964560 /nfs/dbraw/zinc/96/45/60/943964560.db2.gz YJYAFRREQFOUSX-UHFFFAOYSA-N 1 2 350.418 3.518 20 30 FHEDLO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)c1C#N ZINC000566527559 943964565 /nfs/dbraw/zinc/96/45/65/943964565.db2.gz YJYAFRREQFOUSX-UHFFFAOYSA-N 1 2 350.418 3.518 20 30 FHEDLO CCOCCOc1ccc(Br)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418143785 944196344 /nfs/dbraw/zinc/19/63/44/944196344.db2.gz RBNYTXSEBLNNOF-UHFFFAOYSA-N 1 2 367.287 3.648 20 30 FHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000425532042 944259610 /nfs/dbraw/zinc/25/96/10/944259610.db2.gz IIALQEWEJPFFBF-ZDUSSCGKSA-N 1 2 362.389 3.530 20 30 FHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000425532042 944259616 /nfs/dbraw/zinc/25/96/16/944259616.db2.gz IIALQEWEJPFFBF-ZDUSSCGKSA-N 1 2 362.389 3.530 20 30 FHEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000121135143 944327213 /nfs/dbraw/zinc/32/72/13/944327213.db2.gz IFNMPCSPYKYKPI-OAHLLOKOSA-N 1 2 362.543 3.910 20 30 FHEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000121135143 944327223 /nfs/dbraw/zinc/32/72/23/944327223.db2.gz IFNMPCSPYKYKPI-OAHLLOKOSA-N 1 2 362.543 3.910 20 30 FHEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000438097789 944334816 /nfs/dbraw/zinc/33/48/16/944334816.db2.gz MYJAKFDYHARGRA-OAQYLSRUSA-N 1 2 364.424 3.661 20 30 FHEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000438097789 944334826 /nfs/dbraw/zinc/33/48/26/944334826.db2.gz MYJAKFDYHARGRA-OAQYLSRUSA-N 1 2 364.424 3.661 20 30 FHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)cc(OCC)cc1F)C2 ZINC001143574850 944439915 /nfs/dbraw/zinc/43/99/15/944439915.db2.gz KQIPYWIDMCLCPQ-OXJNMPFZSA-N 1 2 367.436 3.690 20 30 FHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)cc(OCC)cc1F)C2 ZINC001143574850 944439925 /nfs/dbraw/zinc/43/99/25/944439925.db2.gz KQIPYWIDMCLCPQ-OXJNMPFZSA-N 1 2 367.436 3.690 20 30 FHEDLO C=CCN(CC1CCCCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000112213363 944556156 /nfs/dbraw/zinc/55/61/56/944556156.db2.gz NDJDEIQYUBUORL-UHFFFAOYSA-N 1 2 356.514 3.828 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000518645843 944573422 /nfs/dbraw/zinc/57/34/22/944573422.db2.gz XIMNQOUMTUBKJB-QFIPXVFZSA-N 1 2 373.500 3.713 20 30 FHEDLO N#CC1(NC(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)CCC1 ZINC000516203573 944574765 /nfs/dbraw/zinc/57/47/65/944574765.db2.gz RUCDMNSTBISROT-UHFFFAOYSA-N 1 2 352.265 3.525 20 30 FHEDLO CC(C)=CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)cc1 ZINC000439482126 944685017 /nfs/dbraw/zinc/68/50/17/944685017.db2.gz QSRSQFGJFUJKES-HXUWFJFHSA-N 1 2 359.901 3.917 20 30 FHEDLO CC(C)=CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)cc1 ZINC000439482126 944685019 /nfs/dbraw/zinc/68/50/19/944685019.db2.gz QSRSQFGJFUJKES-HXUWFJFHSA-N 1 2 359.901 3.917 20 30 FHEDLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000426468008 944896125 /nfs/dbraw/zinc/89/61/25/944896125.db2.gz IPLIINCWHVCJBI-QZTJIDSGSA-N 1 2 352.434 3.900 20 30 FHEDLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000426468008 944896131 /nfs/dbraw/zinc/89/61/31/944896131.db2.gz IPLIINCWHVCJBI-QZTJIDSGSA-N 1 2 352.434 3.900 20 30 FHEDLO C=CCN(CCOC)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425674932 944913516 /nfs/dbraw/zinc/91/35/16/944913516.db2.gz PPSGUKKBQBCWMA-UHFFFAOYSA-N 1 2 354.454 3.553 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3C(F)F)CC2)cc1 ZINC000425708843 944984152 /nfs/dbraw/zinc/98/41/52/944984152.db2.gz FUXYOXYDZJICAE-UHFFFAOYSA-N 1 2 370.403 3.846 20 30 FHEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCOC3(CCCC3)C2)C2CC2)cc1 ZINC000330132744 945370250 /nfs/dbraw/zinc/37/02/50/945370250.db2.gz QQEXJKNXRBTKQW-HXUWFJFHSA-N 1 2 358.482 3.748 20 30 FHEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCOC3(CCCC3)C2)C2CC2)cc1 ZINC000330132744 945370261 /nfs/dbraw/zinc/37/02/61/945370261.db2.gz QQEXJKNXRBTKQW-HXUWFJFHSA-N 1 2 358.482 3.748 20 30 FHEDLO CC1(C)C[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c2ccc(F)cc2O1 ZINC000330152042 945377522 /nfs/dbraw/zinc/37/75/22/945377522.db2.gz WMHHYIXDCKPEJP-INIZCTEOSA-N 1 2 372.444 3.945 20 30 FHEDLO CC1(C)C[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c2ccc(F)cc2O1 ZINC000330152042 945377536 /nfs/dbraw/zinc/37/75/36/945377536.db2.gz WMHHYIXDCKPEJP-INIZCTEOSA-N 1 2 372.444 3.945 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000330156565 945379677 /nfs/dbraw/zinc/37/96/77/945379677.db2.gz OVHCYNWTHMDVAY-NWZZKEMCSA-N 1 2 360.498 3.535 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000330156565 945379687 /nfs/dbraw/zinc/37/96/87/945379687.db2.gz OVHCYNWTHMDVAY-NWZZKEMCSA-N 1 2 360.498 3.535 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC000330179737 945389880 /nfs/dbraw/zinc/38/98/80/945389880.db2.gz MTICKBRIJNLFKE-IPMKNSEASA-N 1 2 352.482 3.850 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2cccc3ccsc32)CCO1 ZINC000330325731 945565984 /nfs/dbraw/zinc/56/59/84/945565984.db2.gz JMHPGYFTBGCXCC-CJNGLKHVSA-N 1 2 356.451 3.881 20 30 FHEDLO C=CC[N@@H+](CCOC)CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000440532710 945613250 /nfs/dbraw/zinc/61/32/50/945613250.db2.gz GJAWKRLQISLZQA-UHFFFAOYSA-N 1 2 350.462 3.584 20 30 FHEDLO C=CC[N@H+](CCOC)CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000440532710 945613257 /nfs/dbraw/zinc/61/32/57/945613257.db2.gz GJAWKRLQISLZQA-UHFFFAOYSA-N 1 2 350.462 3.584 20 30 FHEDLO C=C(C)[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302863933 946358245 /nfs/dbraw/zinc/35/82/45/946358245.db2.gz XEMQPNNUKNCWGL-FOIQADDNSA-N 1 2 374.435 3.835 20 30 FHEDLO C=C(C)[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302863933 946358255 /nfs/dbraw/zinc/35/82/55/946358255.db2.gz XEMQPNNUKNCWGL-FOIQADDNSA-N 1 2 374.435 3.835 20 30 FHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428350841 946392933 /nfs/dbraw/zinc/39/29/33/946392933.db2.gz ZEHIAXGAXNBFJU-SFHVURJKSA-N 1 2 372.428 3.600 20 30 FHEDLO Cc1cc(C)c(C#N)c(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000520340571 946437020 /nfs/dbraw/zinc/43/70/20/946437020.db2.gz PDMKJMFETMVQOP-OAHLLOKOSA-N 1 2 356.420 3.925 20 30 FHEDLO Cc1cc(C)c(C#N)c(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000520340571 946437024 /nfs/dbraw/zinc/43/70/24/946437024.db2.gz PDMKJMFETMVQOP-OAHLLOKOSA-N 1 2 356.420 3.925 20 30 FHEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000520421919 946568326 /nfs/dbraw/zinc/56/83/26/946568326.db2.gz OPMKXIWCIBBEBV-QGZVFWFLSA-N 1 2 351.475 3.518 20 30 FHEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000520421919 946568333 /nfs/dbraw/zinc/56/83/33/946568333.db2.gz OPMKXIWCIBBEBV-QGZVFWFLSA-N 1 2 351.475 3.518 20 30 FHEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000093478035 946629404 /nfs/dbraw/zinc/62/94/04/946629404.db2.gz AFJAFOFXVXWORX-FQEVSTJZSA-N 1 2 366.513 3.621 20 30 FHEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000093478035 946629415 /nfs/dbraw/zinc/62/94/15/946629415.db2.gz AFJAFOFXVXWORX-FQEVSTJZSA-N 1 2 366.513 3.621 20 30 FHEDLO CCn1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1C ZINC000475350265 946923748 /nfs/dbraw/zinc/92/37/48/946923748.db2.gz CWIJSSMTTGWIRS-FQEVSTJZSA-N 1 2 371.916 3.556 20 30 FHEDLO N#Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1O ZINC000444533218 946981049 /nfs/dbraw/zinc/98/10/49/946981049.db2.gz BUHQZCOQASSADB-UHFFFAOYSA-N 1 2 358.401 3.716 20 30 FHEDLO C[C@@H]1CCN(C(=O)NCC2CC(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000328688366 946988347 /nfs/dbraw/zinc/98/83/47/946988347.db2.gz HQLMEAZZSFEZKP-OYGLOCFBSA-N 1 2 352.482 3.874 20 30 FHEDLO COC[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000328819603 947037310 /nfs/dbraw/zinc/03/73/10/947037310.db2.gz PPEFJNFFKCLKLD-INIZCTEOSA-N 1 2 366.465 3.506 20 30 FHEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCC1(c2ccccc2)CCCCC1 ZINC000328836618 947057765 /nfs/dbraw/zinc/05/77/65/947057765.db2.gz SQRHRSLRJSKBNY-RTBURBONSA-N 1 2 369.509 3.896 20 30 FHEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCC1(c2ccccc2)CCCCC1 ZINC000328836618 947057776 /nfs/dbraw/zinc/05/77/76/947057776.db2.gz SQRHRSLRJSKBNY-RTBURBONSA-N 1 2 369.509 3.896 20 30 FHEDLO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000328902434 947074992 /nfs/dbraw/zinc/07/49/92/947074992.db2.gz GPKPKRRQWSSVCG-GUYCJALGSA-N 1 2 365.437 3.551 20 30 FHEDLO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCOCC23CCCC3)C2CC2)cc1 ZINC000328920733 947108803 /nfs/dbraw/zinc/10/88/03/947108803.db2.gz LZPJYOIVLCOECD-FQEVSTJZSA-N 1 2 358.482 3.748 20 30 FHEDLO COc1ccc([C@@H](NC(=O)C[N@H+]2CCOCC23CCCC3)C2CC2)cc1 ZINC000328920733 947108811 /nfs/dbraw/zinc/10/88/11/947108811.db2.gz LZPJYOIVLCOECD-FQEVSTJZSA-N 1 2 358.482 3.748 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)c1 ZINC000444701436 947127203 /nfs/dbraw/zinc/12/72/03/947127203.db2.gz WQFVCSWUVIQMPA-UHFFFAOYSA-N 1 2 371.431 3.960 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)c1 ZINC000444701436 947127184 /nfs/dbraw/zinc/12/71/84/947127184.db2.gz WQFVCSWUVIQMPA-UHFFFAOYSA-N 1 2 371.431 3.960 20 30 FHEDLO CC(C)(C)C[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)C(F)(F)F ZINC000330720337 947259220 /nfs/dbraw/zinc/25/92/20/947259220.db2.gz FYYCRNQCMCLPTK-KBPBESRZSA-N 1 2 359.392 3.816 20 30 FHEDLO C[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000330783934 947284898 /nfs/dbraw/zinc/28/48/98/947284898.db2.gz RDRHKQBXOGDVOU-LBPRGKRZSA-N 1 2 354.281 3.796 20 30 FHEDLO C=C(C)[C@@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1)OCC ZINC000665011557 947304562 /nfs/dbraw/zinc/30/45/62/947304562.db2.gz WHPYAJVYHGRWNH-QRQLOZEOSA-N 1 2 371.481 3.555 20 30 FHEDLO C=C(C)[C@@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1)OCC ZINC000665011557 947304576 /nfs/dbraw/zinc/30/45/76/947304576.db2.gz WHPYAJVYHGRWNH-QRQLOZEOSA-N 1 2 371.481 3.555 20 30 FHEDLO CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331295347 947391690 /nfs/dbraw/zinc/39/16/90/947391690.db2.gz CKYAYOXVMAZVCD-WBVHZDCISA-N 1 2 360.502 3.569 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)s2)c(C)c1 ZINC000441491767 948008204 /nfs/dbraw/zinc/00/82/04/948008204.db2.gz PFHIIIJVKQWSEJ-QGZVFWFLSA-N 1 2 350.447 3.604 20 30 FHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000893605834 948014341 /nfs/dbraw/zinc/01/43/41/948014341.db2.gz KMPJTEPTZLWBSV-MRXNPFEDSA-N 1 2 361.486 3.620 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000520523771 948230954 /nfs/dbraw/zinc/23/09/54/948230954.db2.gz GWUWUISYIHEIQB-AUUYWEPGSA-N 1 2 365.880 3.540 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000520523771 948230960 /nfs/dbraw/zinc/23/09/60/948230960.db2.gz GWUWUISYIHEIQB-AUUYWEPGSA-N 1 2 365.880 3.540 20 30 FHEDLO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NCC[NH+]1CCSCC1 ZINC001167836871 948308443 /nfs/dbraw/zinc/30/84/43/948308443.db2.gz IPWVVWGDKPTBFQ-UHFFFAOYSA-N 1 2 362.314 3.723 20 30 FHEDLO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507786769 948394269 /nfs/dbraw/zinc/39/42/69/948394269.db2.gz BEDUELCUFFWHQU-CQSZACIVSA-N 1 2 354.454 3.843 20 30 FHEDLO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)c(C(F)(F)F)n1 ZINC000441636385 948421145 /nfs/dbraw/zinc/42/11/45/948421145.db2.gz OWDVPCYJTYHEJU-UHFFFAOYSA-N 1 2 374.313 3.544 20 30 FHEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)c(C(F)(F)F)n1 ZINC000441636385 948421150 /nfs/dbraw/zinc/42/11/50/948421150.db2.gz OWDVPCYJTYHEJU-UHFFFAOYSA-N 1 2 374.313 3.544 20 30 FHEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)cc(OC)c1O ZINC000093079775 948479295 /nfs/dbraw/zinc/47/92/95/948479295.db2.gz QDQRFUAHLMYXCA-OAQYLSRUSA-N 1 2 369.461 3.711 20 30 FHEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)cc(OC)c1O ZINC000093079775 948479300 /nfs/dbraw/zinc/47/93/00/948479300.db2.gz QDQRFUAHLMYXCA-OAQYLSRUSA-N 1 2 369.461 3.711 20 30 FHEDLO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000097011678 209167490 /nfs/dbraw/zinc/16/74/90/209167490.db2.gz ULKWYEZBJDBEBN-SFHVURJKSA-N 1 2 353.422 3.552 20 30 FHEDLO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000097011678 209167493 /nfs/dbraw/zinc/16/74/93/209167493.db2.gz ULKWYEZBJDBEBN-SFHVURJKSA-N 1 2 353.422 3.552 20 30 FHEDLO CN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[C@@H]1C#N ZINC000602916601 568012262 /nfs/dbraw/zinc/01/22/62/568012262.db2.gz NZJNXABBHRVVJC-DNVCBOLYSA-N 1 2 361.449 3.758 20 30 FHEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C(=O)OC ZINC000602735643 568025857 /nfs/dbraw/zinc/02/58/57/568025857.db2.gz YUMGGOSACLVHAK-WFASDCNBSA-N 1 2 372.387 3.520 20 30 FHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000569000545 568266015 /nfs/dbraw/zinc/26/60/15/568266015.db2.gz LHGXYRCTIQAVJE-IUODEOHRSA-N 1 2 364.371 3.547 20 30 FHEDLO N#CCc1ccc(OCc2cccc(NC(=O)CCCn3cc[nH+]c3)c2)cc1 ZINC000604527896 568310523 /nfs/dbraw/zinc/31/05/23/568310523.db2.gz JJZHKLSZUICFTH-UHFFFAOYSA-N 1 2 374.444 3.947 20 30 FHEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CC1 ZINC001165031717 721867634 /nfs/dbraw/zinc/86/76/34/721867634.db2.gz RQQFEMRCGXDSRM-UHFFFAOYSA-N 1 2 373.234 3.790 20 30 FHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)cn1 ZINC000172530455 927531321 /nfs/dbraw/zinc/53/13/21/927531321.db2.gz GBUIANYAMHUIJC-UHFFFAOYSA-N 1 2 362.227 3.941 20 30 FHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)cn1 ZINC000172530455 927531329 /nfs/dbraw/zinc/53/13/29/927531329.db2.gz GBUIANYAMHUIJC-UHFFFAOYSA-N 1 2 362.227 3.941 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1F ZINC000042327888 927769380 /nfs/dbraw/zinc/76/93/80/927769380.db2.gz XVSHELJRGSMTNQ-OAHLLOKOSA-N 1 2 357.404 3.732 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1F ZINC000042327888 927769386 /nfs/dbraw/zinc/76/93/86/927769386.db2.gz XVSHELJRGSMTNQ-OAHLLOKOSA-N 1 2 357.404 3.732 20 30 FHEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000578091087 928267783 /nfs/dbraw/zinc/26/77/83/928267783.db2.gz PGQDCXJLQLYASL-IBGZPJMESA-N 1 2 352.434 3.937 20 30 FHEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000578091087 928267787 /nfs/dbraw/zinc/26/77/87/928267787.db2.gz PGQDCXJLQLYASL-IBGZPJMESA-N 1 2 352.434 3.937 20 30 FHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc3ccc(Cl)cc3n2)c1 ZINC001167073041 928283542 /nfs/dbraw/zinc/28/35/42/928283542.db2.gz YUGAWOMNWBZDEU-UHFFFAOYSA-N 1 2 363.848 3.940 20 30 FHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc3ccc(Cl)cc3n2)c1 ZINC001167073041 928283555 /nfs/dbraw/zinc/28/35/55/928283555.db2.gz YUGAWOMNWBZDEU-UHFFFAOYSA-N 1 2 363.848 3.940 20 30 FHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC3(CCCC3)C2)nc1-c1ccccn1 ZINC000161612171 937283771 /nfs/dbraw/zinc/28/37/71/937283771.db2.gz IFJMDFBSZKWKCV-UHFFFAOYSA-N 1 2 355.511 3.886 20 30 FHEDLO C=CCn1c(=S)n(C[N@H+]2CCC3(CCCC3)C2)nc1-c1ccccn1 ZINC000161612171 937283774 /nfs/dbraw/zinc/28/37/74/937283774.db2.gz IFJMDFBSZKWKCV-UHFFFAOYSA-N 1 2 355.511 3.886 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccccn2)C(C)C)c1 ZINC000052217944 937286183 /nfs/dbraw/zinc/28/61/83/937286183.db2.gz FJXTVQHOWYDQGD-UHFFFAOYSA-N 1 2 364.493 3.856 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccn2)C(C)C)c1 ZINC000052217944 937286187 /nfs/dbraw/zinc/28/61/87/937286187.db2.gz FJXTVQHOWYDQGD-UHFFFAOYSA-N 1 2 364.493 3.856 20 30 FHEDLO C[C@@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000610322057 929926126 /nfs/dbraw/zinc/92/61/26/929926126.db2.gz GLLMJNYLJMMSOD-UZLBHIALSA-N 1 2 373.460 3.636 20 30 FHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000255387056 930493198 /nfs/dbraw/zinc/49/31/98/930493198.db2.gz BNUZZORESXLLNV-LIRRHRJNSA-N 1 2 373.547 3.765 20 30 FHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000255387056 930493202 /nfs/dbraw/zinc/49/32/02/930493202.db2.gz BNUZZORESXLLNV-LIRRHRJNSA-N 1 2 373.547 3.765 20 30 FHEDLO N#Cc1cc(Cl)cc(Br)c1N1CC[NH+](C2CCC2)CC1 ZINC000561185974 931223804 /nfs/dbraw/zinc/22/38/04/931223804.db2.gz OJBJSUFFDYHVRY-UHFFFAOYSA-N 1 2 354.679 3.649 20 30 FHEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000580868389 931282962 /nfs/dbraw/zinc/28/29/62/931282962.db2.gz NYTPPSDTNWRBFX-FQEVSTJZSA-N 1 2 373.460 3.813 20 30 FHEDLO Cc1csc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000156699595 931377663 /nfs/dbraw/zinc/37/76/63/931377663.db2.gz ZGLOYKSQKIAXJU-AWEZNQCLSA-N 1 2 354.479 3.530 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152473884 932725980 /nfs/dbraw/zinc/72/59/80/932725980.db2.gz HUPNNUSGBROBKI-IRXDYDNUSA-N 1 2 363.864 3.815 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152473884 932726001 /nfs/dbraw/zinc/72/60/01/932726001.db2.gz HUPNNUSGBROBKI-IRXDYDNUSA-N 1 2 363.864 3.815 20 30 FHEDLO O=C(NC1CC(c2cccc(Cl)c2)C1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000328837871 932842399 /nfs/dbraw/zinc/84/23/99/932842399.db2.gz XZPSOJQNNUWBLC-IIIMJFFVSA-N 1 2 370.884 3.764 20 30 FHEDLO CC[NH+]1CCN(c2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)c(C)c2)CC1 ZINC000255381938 932959385 /nfs/dbraw/zinc/95/93/85/932959385.db2.gz SWLCTYYDLCPNEW-UHFFFAOYSA-N 1 2 368.437 3.501 20 30 FHEDLO NC(=[NH+]OCc1cnc(Cl)s1)c1ccc(OCc2cccnc2)cc1 ZINC000134688476 933019930 /nfs/dbraw/zinc/01/99/30/933019930.db2.gz DYOJMTVBXHJNDK-UHFFFAOYSA-N 1 2 374.853 3.608 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1Cl ZINC000510539466 933200199 /nfs/dbraw/zinc/20/01/99/933200199.db2.gz QNKNKMJRYZZFOQ-IBGZPJMESA-N 1 2 370.880 3.968 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1Cl ZINC000510539466 933200205 /nfs/dbraw/zinc/20/02/05/933200205.db2.gz QNKNKMJRYZZFOQ-IBGZPJMESA-N 1 2 370.880 3.968 20 30 FHEDLO CCc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000610582156 933331275 /nfs/dbraw/zinc/33/12/75/933331275.db2.gz DGALVLJQXNERCO-CVEARBPZSA-N 1 2 355.463 3.718 20 30 FHEDLO CCc1ccc([C@H]2CCC[N@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000610582156 933331288 /nfs/dbraw/zinc/33/12/88/933331288.db2.gz DGALVLJQXNERCO-CVEARBPZSA-N 1 2 355.463 3.718 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091703376 933574736 /nfs/dbraw/zinc/57/47/36/933574736.db2.gz OMWJLBMCBOJYQX-CVEARBPZSA-N 1 2 368.506 3.965 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091703376 933574746 /nfs/dbraw/zinc/57/47/46/933574746.db2.gz OMWJLBMCBOJYQX-CVEARBPZSA-N 1 2 368.506 3.965 20 30 FHEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc2ccccc2c1 ZINC000510906318 934006487 /nfs/dbraw/zinc/00/64/87/934006487.db2.gz YGPNLWDPVFUCAC-HZPDHXFCSA-N 1 2 353.441 3.733 20 30 FHEDLO COc1ccc(C#N)cc1C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610967034 934662565 /nfs/dbraw/zinc/66/25/65/934662565.db2.gz OTGCCZKXTCROET-RYUDHWBXSA-N 1 2 352.278 3.739 20 30 FHEDLO Cc1ccc([C@H]2CCCCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176251544 934665953 /nfs/dbraw/zinc/66/59/53/934665953.db2.gz YCCOJVZGSMNJKK-LJQANCHMSA-N 1 2 372.490 3.851 20 30 FHEDLO Cc1ccc([C@H]2CCCCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176251544 934665957 /nfs/dbraw/zinc/66/59/57/934665957.db2.gz YCCOJVZGSMNJKK-LJQANCHMSA-N 1 2 372.490 3.851 20 30 FHEDLO C=C(C)[C@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)OCC ZINC000535883784 934698522 /nfs/dbraw/zinc/69/85/22/934698522.db2.gz WLUTXSZCUUNDBG-ZBFHGGJFSA-N 1 2 351.516 3.685 20 30 FHEDLO C=C(C)[C@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)OCC ZINC000535883784 934698524 /nfs/dbraw/zinc/69/85/24/934698524.db2.gz WLUTXSZCUUNDBG-ZBFHGGJFSA-N 1 2 351.516 3.685 20 30 FHEDLO COc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1C#N ZINC000610993811 934729527 /nfs/dbraw/zinc/72/95/27/934729527.db2.gz JNIROLIZKSCLFM-RYUDHWBXSA-N 1 2 352.278 3.739 20 30 FHEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176286580 934742258 /nfs/dbraw/zinc/74/22/58/934742258.db2.gz QOAYETQODSFKSN-HNAYVOBHSA-N 1 2 372.490 3.707 20 30 FHEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176286580 934742259 /nfs/dbraw/zinc/74/22/59/934742259.db2.gz QOAYETQODSFKSN-HNAYVOBHSA-N 1 2 372.490 3.707 20 30 FHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000582043294 935163200 /nfs/dbraw/zinc/16/32/00/935163200.db2.gz YADZTFPZEMSWSI-IBGZPJMESA-N 1 2 366.852 3.864 20 30 FHEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000157855868 935212980 /nfs/dbraw/zinc/21/29/80/935212980.db2.gz RBHSBSAZHRDWOV-MAUKXSAKSA-N 1 2 367.453 3.657 20 30 FHEDLO C[N@H+](Cc1ccccc1)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000588507027 935314199 /nfs/dbraw/zinc/31/41/99/935314199.db2.gz WEJSTEDIGZNNGJ-GFIJVFARSA-N 1 2 353.422 3.630 20 30 FHEDLO C[N@@H+](Cc1ccccc1)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000588507027 935314205 /nfs/dbraw/zinc/31/42/05/935314205.db2.gz WEJSTEDIGZNNGJ-GFIJVFARSA-N 1 2 353.422 3.630 20 30 FHEDLO CCCOc1cccc2c(N3CCN(c4ccc(C#N)cn4)CC3)cc[nH+]c12 ZINC000478298533 935611798 /nfs/dbraw/zinc/61/17/98/935611798.db2.gz JCSDIAQQXNDXIA-UHFFFAOYSA-N 1 2 373.460 3.617 20 30 FHEDLO CCc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000478432508 935631734 /nfs/dbraw/zinc/63/17/34/935631734.db2.gz UHGBZXFCABPVIY-UHFFFAOYSA-N 1 2 368.502 3.559 20 30 FHEDLO CCc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000478432508 935631741 /nfs/dbraw/zinc/63/17/41/935631741.db2.gz UHGBZXFCABPVIY-UHFFFAOYSA-N 1 2 368.502 3.559 20 30 FHEDLO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000158459783 935813894 /nfs/dbraw/zinc/81/38/94/935813894.db2.gz FUUHUFWLAZHYOL-UHFFFAOYSA-N 1 2 367.424 3.557 20 30 FHEDLO COc1ccccc1C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCO1 ZINC000051798909 935890292 /nfs/dbraw/zinc/89/02/92/935890292.db2.gz FWBVDZWOJZLOHF-IBGZPJMESA-N 1 2 354.425 3.887 20 30 FHEDLO COc1ccccc1C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCO1 ZINC000051798909 935890296 /nfs/dbraw/zinc/89/02/96/935890296.db2.gz FWBVDZWOJZLOHF-IBGZPJMESA-N 1 2 354.425 3.887 20 30 FHEDLO COc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1OCCCC#N ZINC000163204590 938304628 /nfs/dbraw/zinc/30/46/28/938304628.db2.gz AZENXEGRPRERCR-UHFFFAOYSA-N 1 2 366.465 3.985 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCc3sccc3C1)C2 ZINC000329275523 938311779 /nfs/dbraw/zinc/31/17/79/938311779.db2.gz KTZRUQFYMOXFCN-CQSZACIVSA-N 1 2 358.511 3.529 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CC3C[C@@H]4CC1C[C@H](C3)C4)C2 ZINC000329311390 938346257 /nfs/dbraw/zinc/34/62/57/938346257.db2.gz ZSFSROKWQVEHKR-IKKRTKPYSA-N 1 2 370.541 3.920 20 30 FHEDLO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246821233 938405250 /nfs/dbraw/zinc/40/52/50/938405250.db2.gz QAPVRXHTUUJFIZ-MOPGFXCFSA-N 1 2 371.843 3.834 20 30 FHEDLO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246821233 938405251 /nfs/dbraw/zinc/40/52/51/938405251.db2.gz QAPVRXHTUUJFIZ-MOPGFXCFSA-N 1 2 371.843 3.834 20 30 FHEDLO COc1cc2cc[nH+]c(N3CCC(C#N)(c4ccccn4)CC3)c2cc1F ZINC000584253287 938660313 /nfs/dbraw/zinc/66/03/13/938660313.db2.gz RGVWPKQRMAZUMI-UHFFFAOYSA-N 1 2 362.408 3.839 20 30 FHEDLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccc(C#N)cc1 ZINC000162123029 938667488 /nfs/dbraw/zinc/66/74/88/938667488.db2.gz JSXGNTAXXXVHDR-CVEARBPZSA-N 1 2 368.506 3.769 20 30 FHEDLO CC1(C#N)CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000506016704 945202080 /nfs/dbraw/zinc/20/20/80/945202080.db2.gz FSBUJBDCDUTIFZ-OAHLLOKOSA-N 1 2 352.265 3.724 20 30 FHEDLO C[NH+](C)[C@H](C(=O)OCc1cc(C#N)ccc1Br)c1ccccc1 ZINC000755567716 938838620 /nfs/dbraw/zinc/83/86/20/938838620.db2.gz JOYUDHWDMFUEDT-KRWDZBQOSA-N 1 2 373.250 3.667 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@](C)(C#N)C3)n2)C1 ZINC000612036647 939023406 /nfs/dbraw/zinc/02/34/06/939023406.db2.gz LKKMOVIHLLKTIZ-RDTXWAMCSA-N 1 2 361.515 3.533 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@](C)(C#N)C3)n2)C1 ZINC000612036647 939023408 /nfs/dbraw/zinc/02/34/08/939023408.db2.gz LKKMOVIHLLKTIZ-RDTXWAMCSA-N 1 2 361.515 3.533 20 30 FHEDLO NC(=[NH+]OCc1nccn1C(F)F)c1ccc(OCc2ccccc2)cc1 ZINC000177053477 939146581 /nfs/dbraw/zinc/14/65/81/939146581.db2.gz SGERGZJHMLIGQQ-UHFFFAOYSA-N 1 2 372.375 3.694 20 30 FHEDLO COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329943738 940039728 /nfs/dbraw/zinc/03/97/28/940039728.db2.gz HXBXOMPDUOTOSW-YSSFQJQWSA-N 1 2 368.481 3.766 20 30 FHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3C#N)CC2)cc1 ZINC000507531394 945306693 /nfs/dbraw/zinc/30/66/93/945306693.db2.gz OITWRFZLOOZBRM-UHFFFAOYSA-N 1 2 365.452 3.779 20 30 FHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000613127622 940461348 /nfs/dbraw/zinc/46/13/48/940461348.db2.gz MCMCRCFSEBHKPI-UHFFFAOYSA-N 1 2 358.392 3.683 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(OC)cc1 ZINC000173233688 940598954 /nfs/dbraw/zinc/59/89/54/940598954.db2.gz IWRIOYITVZMMAV-UHFFFAOYSA-N 1 2 369.421 3.539 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(OC)cc1 ZINC000173233688 940598956 /nfs/dbraw/zinc/59/89/56/940598956.db2.gz IWRIOYITVZMMAV-UHFFFAOYSA-N 1 2 369.421 3.539 20 30 FHEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000173532127 940637608 /nfs/dbraw/zinc/63/76/08/940637608.db2.gz WWAMNQOHZXPNQJ-HNNXBMFYSA-N 1 2 351.475 3.688 20 30 FHEDLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000173532127 940637610 /nfs/dbraw/zinc/63/76/10/940637610.db2.gz WWAMNQOHZXPNQJ-HNNXBMFYSA-N 1 2 351.475 3.688 20 30 FHEDLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000549028932 940748630 /nfs/dbraw/zinc/74/86/30/940748630.db2.gz WBMOOIXIDOZVMS-XZOQPEGZSA-N 1 2 373.500 3.569 20 30 FHEDLO CCc1cnc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180227187 940843402 /nfs/dbraw/zinc/84/34/02/940843402.db2.gz UZSIMJRJDFSSHJ-UHFFFAOYSA-N 1 2 351.479 3.610 20 30 FHEDLO CCc1cnc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180227187 940843403 /nfs/dbraw/zinc/84/34/03/940843403.db2.gz UZSIMJRJDFSSHJ-UHFFFAOYSA-N 1 2 351.479 3.610 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614683 941844548 /nfs/dbraw/zinc/84/45/48/941844548.db2.gz JPLVINXYZSBIBK-ZWKOTPCHSA-N 1 2 352.434 3.681 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614683 941844553 /nfs/dbraw/zinc/84/45/53/941844553.db2.gz JPLVINXYZSBIBK-ZWKOTPCHSA-N 1 2 352.434 3.681 20 30 FHEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000377672873 941886991 /nfs/dbraw/zinc/88/69/91/941886991.db2.gz HTBGLMQQLYRBRX-CQSZACIVSA-N 1 2 363.820 3.747 20 30 FHEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000377672873 941886995 /nfs/dbraw/zinc/88/69/95/941886995.db2.gz HTBGLMQQLYRBRX-CQSZACIVSA-N 1 2 363.820 3.747 20 30 FHEDLO C[NH+](C)[C@@]1(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCOc2ccccc21 ZINC000377801315 942000495 /nfs/dbraw/zinc/00/04/95/942000495.db2.gz VHPWBSRMXAWBSH-QFIPXVFZSA-N 1 2 363.461 3.666 20 30 FHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183179041 942210419 /nfs/dbraw/zinc/21/04/19/942210419.db2.gz JWIXQWIYXFQPMM-UHFFFAOYSA-N 1 2 352.335 3.750 20 30 FHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420947916 942270217 /nfs/dbraw/zinc/27/02/17/942270217.db2.gz NJHIUCDVUARWME-LLVKDONJSA-N 1 2 359.779 3.815 20 30 FHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420947916 942270221 /nfs/dbraw/zinc/27/02/21/942270221.db2.gz NJHIUCDVUARWME-LLVKDONJSA-N 1 2 359.779 3.815 20 30 FHEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccsc1 ZINC000421009649 942290568 /nfs/dbraw/zinc/29/05/68/942290568.db2.gz NGTGNFNAYOVBIV-OAHLLOKOSA-N 1 2 362.520 3.865 20 30 FHEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccsc1 ZINC000421009649 942290570 /nfs/dbraw/zinc/29/05/70/942290570.db2.gz NGTGNFNAYOVBIV-OAHLLOKOSA-N 1 2 362.520 3.865 20 30 FHEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000502452663 942450569 /nfs/dbraw/zinc/45/05/69/942450569.db2.gz XVXZXHLCAAOESL-MRXNPFEDSA-N 1 2 354.450 3.678 20 30 FHEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000502452663 942450578 /nfs/dbraw/zinc/45/05/78/942450578.db2.gz XVXZXHLCAAOESL-MRXNPFEDSA-N 1 2 354.450 3.678 20 30 FHEDLO N#Cc1cccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000378279517 942501240 /nfs/dbraw/zinc/50/12/40/942501240.db2.gz INCGBASDIOWOBU-UHFFFAOYSA-N 1 2 369.428 3.795 20 30 FHEDLO CCc1ccc(CNC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000502551626 942535209 /nfs/dbraw/zinc/53/52/09/942535209.db2.gz AUFBOTLGIHKQNR-UHFFFAOYSA-N 1 2 365.502 3.588 20 30 FHEDLO CCc1ccc(CNC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000502551626 942535218 /nfs/dbraw/zinc/53/52/18/942535218.db2.gz AUFBOTLGIHKQNR-UHFFFAOYSA-N 1 2 365.502 3.588 20 30 FHEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000514127887 942760756 /nfs/dbraw/zinc/76/07/56/942760756.db2.gz ADFWPMJLWVEXDF-UHFFFAOYSA-N 1 2 366.440 3.717 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367072504 942808165 /nfs/dbraw/zinc/80/81/65/942808165.db2.gz NPSNYGUAEKYNQM-QGZVFWFLSA-N 1 2 363.465 3.811 20 30 FHEDLO N#Cc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1Oc1ccccc1 ZINC000190134347 942820739 /nfs/dbraw/zinc/82/07/39/942820739.db2.gz BKWCJVWRGAFBTL-OAHLLOKOSA-N 1 2 358.401 3.748 20 30 FHEDLO N#Cc1cnc2c(Br)cccc2c1NCCCCn1cc[nH+]c1 ZINC000584568541 942857130 /nfs/dbraw/zinc/85/71/30/942857130.db2.gz ISTUVMZFSIZWOK-UHFFFAOYSA-N 1 2 370.254 3.958 20 30 FHEDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000434784300 942963887 /nfs/dbraw/zinc/96/38/87/942963887.db2.gz CYLVHNJAGJSHDL-CYBMUJFWSA-N 1 2 369.852 3.606 20 30 FHEDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000434784300 942963891 /nfs/dbraw/zinc/96/38/91/942963891.db2.gz CYLVHNJAGJSHDL-CYBMUJFWSA-N 1 2 369.852 3.606 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503266414 943099494 /nfs/dbraw/zinc/09/94/94/943099494.db2.gz UVCVPNZFFUHDCD-FQEVSTJZSA-N 1 2 363.848 3.904 20 30 FHEDLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(OCC#N)cc1 ZINC000272235757 943118968 /nfs/dbraw/zinc/11/89/68/943118968.db2.gz IOZFHZQYAHXNOU-ZACQAIPSSA-N 1 2 366.465 3.771 20 30 FHEDLO CC1(C#N)CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000272602186 943185217 /nfs/dbraw/zinc/18/52/17/943185217.db2.gz RBUYZPNMCTYFHG-LJQANCHMSA-N 1 2 371.481 3.718 20 30 FHEDLO CCCOc1cccc2c(N3CCN(c4cccc(C#N)n4)CC3)cc[nH+]c12 ZINC000503581960 943264289 /nfs/dbraw/zinc/26/42/89/943264289.db2.gz UEVNERKNHQPLRP-UHFFFAOYSA-N 1 2 373.460 3.617 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCc3occc3C2)ccc1Cl ZINC000514785906 943290384 /nfs/dbraw/zinc/29/03/84/943290384.db2.gz QXIARTXVHPUDHQ-UHFFFAOYSA-N 1 2 371.868 3.937 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCc3occc3C2)ccc1Cl ZINC000514785906 943290388 /nfs/dbraw/zinc/29/03/88/943290388.db2.gz QXIARTXVHPUDHQ-UHFFFAOYSA-N 1 2 371.868 3.937 20 30 FHEDLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000503750465 943367682 /nfs/dbraw/zinc/36/76/82/943367682.db2.gz SFCYNDBBZSIYKI-SFTDATJTSA-N 1 2 368.525 3.600 20 30 FHEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@H](CC)CCCC ZINC001269977845 943476029 /nfs/dbraw/zinc/47/60/29/943476029.db2.gz VIARTMVAFZDOOG-QRVBRYPASA-N 1 2 350.547 3.717 20 30 FHEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@H](CC)CCCC ZINC001269977845 943476034 /nfs/dbraw/zinc/47/60/34/943476034.db2.gz VIARTMVAFZDOOG-QRVBRYPASA-N 1 2 350.547 3.717 20 30 FHEDLO Cc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(N(C)C)[nH+]1 ZINC000162397170 943554013 /nfs/dbraw/zinc/55/40/13/943554013.db2.gz PQGAGAQATHUYDJ-HKUYNNGSSA-N 1 2 363.465 3.760 20 30 FHEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c(OC(F)F)c1 ZINC000437399520 943776865 /nfs/dbraw/zinc/77/68/65/943776865.db2.gz BUMHOFRRVUWHQI-KRWDZBQOSA-N 1 2 362.376 3.934 20 30 FHEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c(OC(F)F)c1 ZINC000437399520 943776871 /nfs/dbraw/zinc/77/68/71/943776871.db2.gz BUMHOFRRVUWHQI-KRWDZBQOSA-N 1 2 362.376 3.934 20 30 FHEDLO C=CCn1cc(C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)nn1 ZINC000424298066 943826352 /nfs/dbraw/zinc/82/63/52/943826352.db2.gz RXHMWGCRSQOOFQ-HNNXBMFYSA-N 1 2 356.417 3.677 20 30 FHEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3cccc(F)c3F)CC2)c1 ZINC000516944927 943837258 /nfs/dbraw/zinc/83/72/58/943837258.db2.gz XKZAALRRDCJGPB-UHFFFAOYSA-N 1 2 355.388 3.655 20 30 FHEDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437651066 944000258 /nfs/dbraw/zinc/00/02/58/944000258.db2.gz NZIMUNCBLYIWHP-RUZDIDTESA-N 1 2 364.417 3.529 20 30 FHEDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437651066 944000266 /nfs/dbraw/zinc/00/02/66/944000266.db2.gz NZIMUNCBLYIWHP-RUZDIDTESA-N 1 2 364.417 3.529 20 30 FHEDLO CC(C)Cc1ncc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000506113270 944052912 /nfs/dbraw/zinc/05/29/12/944052912.db2.gz MJOUWVDMLVZLGB-UHFFFAOYSA-N 1 2 354.523 3.531 20 30 FHEDLO CC(C)Cc1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000506113270 944052920 /nfs/dbraw/zinc/05/29/20/944052920.db2.gz MJOUWVDMLVZLGB-UHFFFAOYSA-N 1 2 354.523 3.531 20 30 FHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@]2(CCOC2)C1 ZINC000330240792 944069446 /nfs/dbraw/zinc/06/94/46/944069446.db2.gz IUKOQGSURPTVEJ-OAQYLSRUSA-N 1 2 366.465 3.544 20 30 FHEDLO N#Cc1ccc(CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000436177012 944090172 /nfs/dbraw/zinc/09/01/72/944090172.db2.gz FECBEYIITUCWLE-UHFFFAOYSA-N 1 2 356.429 3.939 20 30 FHEDLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000418140771 944203505 /nfs/dbraw/zinc/20/35/05/944203505.db2.gz FUHDEULHLLHTQU-GOSISDBHSA-N 1 2 354.479 3.555 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)n2)c1 ZINC000437908526 944223159 /nfs/dbraw/zinc/22/31/59/944223159.db2.gz WENXAZJZWMOMMT-LJQANCHMSA-N 1 2 364.493 3.774 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)n2)c1 ZINC000437908526 944223162 /nfs/dbraw/zinc/22/31/62/944223162.db2.gz WENXAZJZWMOMMT-LJQANCHMSA-N 1 2 364.493 3.774 20 30 FHEDLO Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000894314101 944271039 /nfs/dbraw/zinc/27/10/39/944271039.db2.gz PWCVCBMQAXSCQB-KRWDZBQOSA-N 1 2 363.461 3.821 20 30 FHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000518342616 944301898 /nfs/dbraw/zinc/30/18/98/944301898.db2.gz ALUGDMQQEIEUEG-JOCHJYFZSA-N 1 2 370.456 3.539 20 30 FHEDLO C=CCNC(=S)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000728792758 944541198 /nfs/dbraw/zinc/54/11/98/944541198.db2.gz NPMKVOYGWHPMHT-UHFFFAOYSA-N 1 2 362.502 3.749 20 30 FHEDLO COC(=O)c1cc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)oc1C ZINC000426360398 944548713 /nfs/dbraw/zinc/54/87/13/944548713.db2.gz FOCHUWMBOXIYOV-UHFFFAOYSA-N 1 2 365.351 3.877 20 30 FHEDLO COC(=O)c1cc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)oc1C ZINC000426360398 944548717 /nfs/dbraw/zinc/54/87/17/944548717.db2.gz FOCHUWMBOXIYOV-UHFFFAOYSA-N 1 2 365.351 3.877 20 30 FHEDLO CC(C)(CO)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccs1 ZINC000518621110 944551243 /nfs/dbraw/zinc/55/12/43/944551243.db2.gz AZFNKMIAHJKGPE-QGZVFWFLSA-N 1 2 368.462 3.519 20 30 FHEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000439451094 944635405 /nfs/dbraw/zinc/63/54/05/944635405.db2.gz KWYLFTHLZYZPBK-GOSISDBHSA-N 1 2 354.837 3.874 20 30 FHEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000439451094 944635408 /nfs/dbraw/zinc/63/54/08/944635408.db2.gz KWYLFTHLZYZPBK-GOSISDBHSA-N 1 2 354.837 3.874 20 30 FHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2ccco2)n1 ZINC000516341036 944742151 /nfs/dbraw/zinc/74/21/51/944742151.db2.gz IDNLPMFDTDFLBX-UHFFFAOYSA-N 1 2 353.447 3.923 20 30 FHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2ccco2)n1 ZINC000516341036 944742154 /nfs/dbraw/zinc/74/21/54/944742154.db2.gz IDNLPMFDTDFLBX-UHFFFAOYSA-N 1 2 353.447 3.923 20 30 FHEDLO C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000516425183 944855566 /nfs/dbraw/zinc/85/55/66/944855566.db2.gz YEFVWXZBXJSKOM-UHFFFAOYSA-N 1 2 373.932 3.953 20 30 FHEDLO Cn1cc(Br)cc1C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000438644273 944880125 /nfs/dbraw/zinc/88/01/25/944880125.db2.gz HUUIRVFMBLFFEY-UHFFFAOYSA-N 1 2 351.675 3.925 20 30 FHEDLO Cn1cc(Br)cc1C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000438644273 944880132 /nfs/dbraw/zinc/88/01/32/944880132.db2.gz HUUIRVFMBLFFEY-UHFFFAOYSA-N 1 2 351.675 3.925 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000432040634 944961434 /nfs/dbraw/zinc/96/14/34/944961434.db2.gz OWZHMXTWILYKJY-UHFFFAOYSA-N 1 2 368.487 3.778 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000432040634 944961437 /nfs/dbraw/zinc/96/14/37/944961437.db2.gz OWZHMXTWILYKJY-UHFFFAOYSA-N 1 2 368.487 3.778 20 30 FHEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000426143003 945010807 /nfs/dbraw/zinc/01/08/07/945010807.db2.gz KOZNUZUEPUHEAS-UHFFFAOYSA-N 1 2 360.870 3.623 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(F)c(C#N)c2)c(C)c1 ZINC000516589311 945041769 /nfs/dbraw/zinc/04/17/69/945041769.db2.gz RRWMQMBRVUTTCH-FQEVSTJZSA-N 1 2 362.408 3.682 20 30 FHEDLO CC(C)c1ccc2c(c1)[C@@H]([NH+]=C([O-])N[C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000330183135 945391921 /nfs/dbraw/zinc/39/19/21/945391921.db2.gz HSEAAFAALWKPGW-MJGOQNOKSA-N 1 2 352.482 3.903 20 30 FHEDLO CCOc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(Br)c1OC ZINC000507706260 945478532 /nfs/dbraw/zinc/47/85/32/945478532.db2.gz HBGWDEGPELRCDE-UHFFFAOYSA-N 1 2 367.287 3.982 20 30 FHEDLO O=C(NC1CCC(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1)C1CCCC1 ZINC000330319142 945543616 /nfs/dbraw/zinc/54/36/16/945543616.db2.gz REJMAPNPSLVCNM-OFLPRAFFSA-N 1 2 358.486 3.860 20 30 FHEDLO Cc1[nH]c2ccc(C(=O)N[C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)cc2c1C ZINC000330336764 945606872 /nfs/dbraw/zinc/60/68/72/945606872.db2.gz SSMZXCRCGPSFQO-BEFAXECRSA-N 1 2 352.438 3.743 20 30 FHEDLO Cc1c(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)sc2nccc(C)c12 ZINC000330337713 945607845 /nfs/dbraw/zinc/60/78/45/945607845.db2.gz UICWLCLHKJZYFY-UKRRQHHQSA-N 1 2 370.478 3.872 20 30 FHEDLO Cc1nc2c(n1[C@@H]1CC[N@@H+](CC(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330349980 945639222 /nfs/dbraw/zinc/63/92/22/945639222.db2.gz KNVWFJNKTPGYPT-VMWRSERWSA-N 1 2 358.530 3.852 20 30 FHEDLO Cc1nc2c(n1[C@@H]1CC[N@H+](CC(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330349980 945639230 /nfs/dbraw/zinc/63/92/30/945639230.db2.gz KNVWFJNKTPGYPT-VMWRSERWSA-N 1 2 358.530 3.852 20 30 FHEDLO C=CC[N@@H+](CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)Cc1ccccc1 ZINC000027775648 945758152 /nfs/dbraw/zinc/75/81/52/945758152.db2.gz ZHOZKFOEGHLPPI-UHFFFAOYSA-N 1 2 354.450 3.679 20 30 FHEDLO C=CC[N@H+](CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)Cc1ccccc1 ZINC000027775648 945758156 /nfs/dbraw/zinc/75/81/56/945758156.db2.gz ZHOZKFOEGHLPPI-UHFFFAOYSA-N 1 2 354.450 3.679 20 30 FHEDLO C=CC[N@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)[C@@H](C)COC ZINC000661245252 945901244 /nfs/dbraw/zinc/90/12/44/945901244.db2.gz ZJDQFGDJUQATNU-AWEZNQCLSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)[C@@H](C)COC ZINC000661245252 945901251 /nfs/dbraw/zinc/90/12/51/945901251.db2.gz ZJDQFGDJUQATNU-AWEZNQCLSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OCC)Cc1ccc(OC)cc1 ZINC000054272017 946023570 /nfs/dbraw/zinc/02/35/70/946023570.db2.gz OFIIJIKFVZNCJH-UHFFFAOYSA-N 1 2 354.450 3.721 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OCC)Cc1ccc(OC)cc1 ZINC000054272017 946023579 /nfs/dbraw/zinc/02/35/79/946023579.db2.gz OFIIJIKFVZNCJH-UHFFFAOYSA-N 1 2 354.450 3.721 20 30 FHEDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(OCCC(C)C)c1 ZINC000125451631 946063525 /nfs/dbraw/zinc/06/35/25/946063525.db2.gz NRASTFBCNYMITO-OAQYLSRUSA-N 1 2 365.477 3.608 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c1 ZINC000440959712 946064288 /nfs/dbraw/zinc/06/42/88/946064288.db2.gz LAJUKNMTZUKHSZ-WOJBJXKFSA-N 1 2 369.509 3.582 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c1 ZINC000440959712 946064300 /nfs/dbraw/zinc/06/43/00/946064300.db2.gz LAJUKNMTZUKHSZ-WOJBJXKFSA-N 1 2 369.509 3.582 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(C#N)cc2)c(C)c1 ZINC000475058931 946073632 /nfs/dbraw/zinc/07/36/32/946073632.db2.gz GJYYXLANOBRHDL-OAQYLSRUSA-N 1 2 373.460 3.612 20 30 FHEDLO COc1ccc(F)cc1C[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000522933921 946123346 /nfs/dbraw/zinc/12/33/46/946123346.db2.gz GUHXGGDNVJNKKD-UHFFFAOYSA-N 1 2 359.832 3.682 20 30 FHEDLO COC(=O)C1(c2ccccc2)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441173202 946281024 /nfs/dbraw/zinc/28/10/24/946281024.db2.gz QWPHSOWMHLTMPZ-UHFFFAOYSA-N 1 2 367.876 3.898 20 30 FHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428350840 946392336 /nfs/dbraw/zinc/39/23/36/946392336.db2.gz ZEHIAXGAXNBFJU-GOSISDBHSA-N 1 2 372.428 3.600 20 30 FHEDLO Cc1ccc(-c2noc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)n2)cc1 ZINC000104715432 946649991 /nfs/dbraw/zinc/64/99/91/946649991.db2.gz WVNDJVGCGIKKIS-UHFFFAOYSA-N 1 2 374.444 3.960 20 30 FHEDLO COC(=O)C1(C#N)CC[NH+](Cc2sccc2Oc2ccccc2)CC1 ZINC001142003805 946750442 /nfs/dbraw/zinc/75/04/42/946750442.db2.gz YUHHWCMVYBGJSX-UHFFFAOYSA-N 1 2 356.447 3.819 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000475316355 946878783 /nfs/dbraw/zinc/87/87/83/946878783.db2.gz CCFCDKURZKWQMK-GOSISDBHSA-N 1 2 351.494 3.895 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000475316355 946878800 /nfs/dbraw/zinc/87/88/00/946878800.db2.gz CCFCDKURZKWQMK-GOSISDBHSA-N 1 2 351.494 3.895 20 30 FHEDLO COc1ccsc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475341188 946911358 /nfs/dbraw/zinc/91/13/58/946911358.db2.gz AJDUFIDITYVLHG-INIZCTEOSA-N 1 2 361.898 3.793 20 30 FHEDLO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328776879 947022760 /nfs/dbraw/zinc/02/27/60/947022760.db2.gz CTWKVQSLWQLKAU-HBUWYVDXSA-N 1 2 356.445 3.586 20 30 FHEDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000328798548 947050193 /nfs/dbraw/zinc/05/01/93/947050193.db2.gz GIMSRBORQDPPJR-JRRQCCCHSA-N 1 2 372.484 3.859 20 30 FHEDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000328798548 947050205 /nfs/dbraw/zinc/05/02/05/947050205.db2.gz GIMSRBORQDPPJR-JRRQCCCHSA-N 1 2 372.484 3.859 20 30 FHEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000511938910 947060037 /nfs/dbraw/zinc/06/00/37/947060037.db2.gz BTOBSQONIBHTJT-UHFFFAOYSA-N 1 2 359.832 3.682 20 30 FHEDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2c(c1)CCCC2 ZINC000328843982 947062127 /nfs/dbraw/zinc/06/21/27/947062127.db2.gz VAGAKOQWFLZJPT-GDIGMMSISA-N 1 2 355.482 3.634 20 30 FHEDLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2c(c1)CCCC2 ZINC000328843982 947062136 /nfs/dbraw/zinc/06/21/36/947062136.db2.gz VAGAKOQWFLZJPT-GDIGMMSISA-N 1 2 355.482 3.634 20 30 FHEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)n1cccn1 ZINC000328876577 947078703 /nfs/dbraw/zinc/07/87/03/947078703.db2.gz ZVGSVMHLOZDYLM-LYRGGWFBSA-N 1 2 350.825 3.639 20 30 FHEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)n1cccn1 ZINC000328876577 947078709 /nfs/dbraw/zinc/07/87/09/947078709.db2.gz ZVGSVMHLOZDYLM-LYRGGWFBSA-N 1 2 350.825 3.639 20 30 FHEDLO N#Cc1ccc(N2CC[NH+](CCC(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000444773351 947209693 /nfs/dbraw/zinc/20/96/93/947209693.db2.gz ZRTUTODYGZUACN-UHFFFAOYSA-N 1 2 353.853 3.607 20 30 FHEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1)OCC ZINC000665004474 947244309 /nfs/dbraw/zinc/24/43/09/947244309.db2.gz WHPYAJVYHGRWNH-WDSOQIARSA-N 1 2 371.481 3.555 20 30 FHEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1)OCC ZINC000665004474 947244320 /nfs/dbraw/zinc/24/43/20/947244320.db2.gz WHPYAJVYHGRWNH-WDSOQIARSA-N 1 2 371.481 3.555 20 30 FHEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665005228 947266350 /nfs/dbraw/zinc/26/63/50/947266350.db2.gz MVGYCOQXWLVKCS-JZXOWHBKSA-N 1 2 357.454 3.685 20 30 FHEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665005228 947266363 /nfs/dbraw/zinc/26/63/63/947266363.db2.gz MVGYCOQXWLVKCS-JZXOWHBKSA-N 1 2 357.454 3.685 20 30 FHEDLO C=CCn1c(COc2ccccc2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000162930956 947884995 /nfs/dbraw/zinc/88/49/95/947884995.db2.gz UKIKXIPOOKHWGM-INIZCTEOSA-N 1 2 358.511 3.868 20 30 FHEDLO C=CCn1c(COc2ccccc2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000162930956 947885003 /nfs/dbraw/zinc/88/50/03/947885003.db2.gz UKIKXIPOOKHWGM-INIZCTEOSA-N 1 2 358.511 3.868 20 30 FHEDLO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1c(F)cccc1Cl ZINC000181742415 948232114 /nfs/dbraw/zinc/23/21/14/948232114.db2.gz CSUCGFMBCNJXAY-ZDUSSCGKSA-N 1 2 351.853 3.815 20 30 FHEDLO COc1cccc([C@@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)CCO2)c1 ZINC000093079768 948479476 /nfs/dbraw/zinc/47/94/76/948479476.db2.gz FZSFICVQEUPWQB-QFIPXVFZSA-N 1 2 366.461 3.951 20 30 FHEDLO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)CCO2)c1 ZINC000093079768 948479480 /nfs/dbraw/zinc/47/94/80/948479480.db2.gz FZSFICVQEUPWQB-QFIPXVFZSA-N 1 2 366.461 3.951 20 30 FHEDLO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000097010283 209166585 /nfs/dbraw/zinc/16/65/85/209166585.db2.gz FQXUWLVSTXJITE-LJQANCHMSA-N 1 2 367.449 3.942 20 30 FHEDLO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000097010283 209166588 /nfs/dbraw/zinc/16/65/88/209166588.db2.gz FQXUWLVSTXJITE-LJQANCHMSA-N 1 2 367.449 3.942 20 30 FHEDLO C=CCC[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000186612984 567959059 /nfs/dbraw/zinc/95/90/59/567959059.db2.gz FJMBVFZULZMSSI-AZUAARDMSA-N 1 2 351.494 3.951 20 30 FHEDLO C=CCC[C@@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000186613003 567959086 /nfs/dbraw/zinc/95/90/86/567959086.db2.gz FJMBVFZULZMSSI-UYAOXDASSA-N 1 2 351.494 3.951 20 30 FHEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858690 568003087 /nfs/dbraw/zinc/00/30/87/568003087.db2.gz UQVWIFVJXRMBRA-HDICACEKSA-N 1 2 370.541 3.790 20 30 FHEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858690 568003088 /nfs/dbraw/zinc/00/30/88/568003088.db2.gz UQVWIFVJXRMBRA-HDICACEKSA-N 1 2 370.541 3.790 20 30 FHEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000602869954 568008986 /nfs/dbraw/zinc/00/89/86/568008986.db2.gz RDXAQWDBTSVRCW-GUYCJALGSA-N 1 2 370.840 3.502 20 30 FHEDLO COc1cc(C[NH2+][C@H](C)c2nnn(-c3ccc(C)cc3)c2C)ccc1C#N ZINC000568333692 568025449 /nfs/dbraw/zinc/02/54/49/568025449.db2.gz KOBBUALHXMEHGC-OAHLLOKOSA-N 1 2 361.449 3.615 20 30 FHEDLO C=CC[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(Cl)s1 ZINC000069450697 568098477 /nfs/dbraw/zinc/09/84/77/568098477.db2.gz QICWMPDQXYPRAF-UHFFFAOYSA-N 1 2 369.918 3.548 20 30 FHEDLO C=CC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(Cl)s1 ZINC000069450697 568098478 /nfs/dbraw/zinc/09/84/78/568098478.db2.gz QICWMPDQXYPRAF-UHFFFAOYSA-N 1 2 369.918 3.548 20 30 FHEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000049612078 568133465 /nfs/dbraw/zinc/13/34/65/568133465.db2.gz GFGWBYYSFJTSOW-SFHVURJKSA-N 1 2 364.836 3.659 20 30 FHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)c1C#N ZINC000568933975 568253851 /nfs/dbraw/zinc/25/38/51/568253851.db2.gz NAZFKYZBDRWIMD-STQMWFEESA-N 1 2 354.429 3.526 20 30 FHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000604528543 568310599 /nfs/dbraw/zinc/31/05/99/568310599.db2.gz SDQWDZNPJUWHKW-UHFFFAOYSA-N 1 2 374.444 3.947 20 30 FHEDLO Cc1[nH]c(-c2cccc(NC(=O)Cc3ccc(OCC#N)cc3)c2)[nH+]c1C ZINC000365251701 568366930 /nfs/dbraw/zinc/36/69/30/568366930.db2.gz DVVVXOQBANHGAN-UHFFFAOYSA-N 1 2 360.417 3.777 20 30 FHEDLO C=CC[C@H](C)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000604913855 568388489 /nfs/dbraw/zinc/38/84/89/568388489.db2.gz AZMXADWPDYPIHU-XJKSGUPXSA-N 1 2 353.869 3.880 20 30 FHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cc2)c1 ZINC000365275552 568394529 /nfs/dbraw/zinc/39/45/29/568394529.db2.gz DOJUGOKMMBEMBW-GOSISDBHSA-N 1 2 372.428 3.535 20 30 FHEDLO Cc1cc(C)cc(OCc2noc(C[NH2+]C3(c4cccc(C#N)c4)CC3)n2)c1 ZINC000570148422 568455080 /nfs/dbraw/zinc/45/50/80/568455080.db2.gz BIDMGYOJFZETPQ-UHFFFAOYSA-N 1 2 374.444 3.916 20 30 FHEDLO Cc1cn2cc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc2[nH+]1 ZINC000531456866 568531737 /nfs/dbraw/zinc/53/17/37/568531737.db2.gz UIZSDWFEVNMZSZ-RTBURBONSA-N 1 2 359.433 3.946 20 30 FHEDLO Clc1cccc(N2CCCC2)c1C=[NH+]Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826353215 608110641 /nfs/dbraw/zinc/11/06/41/608110641.db2.gz GQNWUIAAGZEMRT-UHFFFAOYSA-N 1 2 367.844 3.566 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000823909473 608501197 /nfs/dbraw/zinc/50/11/97/608501197.db2.gz FOWIFACDQZXYQI-UHFFFAOYSA-N 1 2 351.888 3.831 20 30 FHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000823909473 608501198 /nfs/dbraw/zinc/50/11/98/608501198.db2.gz FOWIFACDQZXYQI-UHFFFAOYSA-N 1 2 351.888 3.831 20 30 FHEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001165032584 721870769 /nfs/dbraw/zinc/87/07/69/721870769.db2.gz ZTHGTFJIPXCPSI-UHFFFAOYSA-N 1 2 364.827 3.650 20 30 FHEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161963210 936328515 /nfs/dbraw/zinc/32/85/15/936328515.db2.gz SGIWGMMJBLJUNE-CALCHBBNSA-N 1 2 363.461 3.728 20 30 FHEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161963210 936328519 /nfs/dbraw/zinc/32/85/19/936328519.db2.gz SGIWGMMJBLJUNE-CALCHBBNSA-N 1 2 363.461 3.728 20 30 FHEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000548788351 937158843 /nfs/dbraw/zinc/15/88/43/937158843.db2.gz NJUMEWVVYCRZHZ-JTQLQIEISA-N 1 2 358.186 3.584 20 30 FHEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3ccsc3)CC2)C1=O ZINC000186958138 927613143 /nfs/dbraw/zinc/61/31/43/927613143.db2.gz GNONWMCSNCYURV-MRXNPFEDSA-N 1 2 357.504 3.666 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000187122696 927924791 /nfs/dbraw/zinc/92/47/91/927924791.db2.gz GVSMASXIBQTFIK-MRXNPFEDSA-N 1 2 367.880 3.854 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000187122696 927924798 /nfs/dbraw/zinc/92/47/98/927924798.db2.gz GVSMASXIBQTFIK-MRXNPFEDSA-N 1 2 367.880 3.854 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000187214662 928178568 /nfs/dbraw/zinc/17/85/68/928178568.db2.gz GGDFVOLIIBYJSJ-UHFFFAOYSA-N 1 2 359.901 3.873 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000274803104 928529167 /nfs/dbraw/zinc/52/91/67/928529167.db2.gz RRYKDALUZDLLTG-UHFFFAOYSA-N 1 2 369.852 3.768 20 30 FHEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000187206950 929539988 /nfs/dbraw/zinc/53/99/88/929539988.db2.gz HYEKVVFLUJSOPA-MRXNPFEDSA-N 1 2 368.868 3.766 20 30 FHEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000187206950 929539998 /nfs/dbraw/zinc/53/99/98/929539998.db2.gz HYEKVVFLUJSOPA-MRXNPFEDSA-N 1 2 368.868 3.766 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610323100 929936475 /nfs/dbraw/zinc/93/64/75/929936475.db2.gz DUBORAPKEKXJDN-LJQANCHMSA-N 1 2 359.433 3.706 20 30 FHEDLO N#Cc1cscc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000432583989 930719800 /nfs/dbraw/zinc/71/98/00/930719800.db2.gz KUVULTHYTBILFA-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO N#Cc1cscc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000432583989 930719807 /nfs/dbraw/zinc/71/98/07/930719807.db2.gz KUVULTHYTBILFA-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156796054 931526893 /nfs/dbraw/zinc/52/68/93/931526893.db2.gz VOPXJJFQVCZPIJ-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156796054 931526895 /nfs/dbraw/zinc/52/68/95/931526895.db2.gz VOPXJJFQVCZPIJ-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CCC#N)CC1 ZINC000581188988 931651355 /nfs/dbraw/zinc/65/13/55/931651355.db2.gz PGMRITCEDDLPFB-LBPRGKRZSA-N 1 2 364.833 3.591 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C(F)F)cc3)CC2)cc1 ZINC000933112631 931708838 /nfs/dbraw/zinc/70/88/38/931708838.db2.gz YAIOSNBKPGMKJL-UHFFFAOYSA-N 1 2 370.403 3.846 20 30 FHEDLO Cc1cn2cc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)ccc2[nH+]1 ZINC000328775083 932010181 /nfs/dbraw/zinc/01/01/81/932010181.db2.gz KMPORTBBYQFVOG-OAHLLOKOSA-N 1 2 368.462 3.987 20 30 FHEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000127203863 932366008 /nfs/dbraw/zinc/36/60/08/932366008.db2.gz MHGVLZXKZSBBAU-KRWDZBQOSA-N 1 2 373.460 3.743 20 30 FHEDLO Cc1nc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)sc1SCC#N ZINC000510459855 932595899 /nfs/dbraw/zinc/59/58/99/932595899.db2.gz JWFZESHUCPFUBF-UHFFFAOYSA-N 1 2 369.475 3.814 20 30 FHEDLO COc1cccc(/C=N\C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1O ZINC000255394134 933110987 /nfs/dbraw/zinc/11/09/87/933110987.db2.gz HDDAAGOQVMMNMT-JCMHNJIXSA-N 1 2 353.466 3.555 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000328962023 933450847 /nfs/dbraw/zinc/45/08/47/933450847.db2.gz KXULUEOWOINHST-MXEMCNAFSA-N 1 2 372.509 3.536 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000328962023 933450850 /nfs/dbraw/zinc/45/08/50/933450850.db2.gz KXULUEOWOINHST-MXEMCNAFSA-N 1 2 372.509 3.536 20 30 FHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000610675044 933737565 /nfs/dbraw/zinc/73/75/65/933737565.db2.gz SKFGJMLGDPOYPV-DYVFJYSZSA-N 1 2 353.919 3.832 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000610675044 933737575 /nfs/dbraw/zinc/73/75/75/933737575.db2.gz SKFGJMLGDPOYPV-DYVFJYSZSA-N 1 2 353.919 3.832 20 30 FHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1c(OC)cc(OC)cc1OC ZINC000092504467 934066358 /nfs/dbraw/zinc/06/63/58/934066358.db2.gz LDSGFEWMCVTCKL-UHFFFAOYSA-N 1 2 352.434 3.772 20 30 FHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1c(OC)cc(OC)cc1OC ZINC000092504467 934066365 /nfs/dbraw/zinc/06/63/65/934066365.db2.gz LDSGFEWMCVTCKL-UHFFFAOYSA-N 1 2 352.434 3.772 20 30 FHEDLO CCOc1c(Br)cc(C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000093091279 934094087 /nfs/dbraw/zinc/09/40/87/934094087.db2.gz LWEXKVNBXDCFKH-UHFFFAOYSA-N 1 2 367.287 3.982 20 30 FHEDLO CCOc1c(Br)cc(C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000093091279 934094096 /nfs/dbraw/zinc/09/40/96/934094096.db2.gz LWEXKVNBXDCFKH-UHFFFAOYSA-N 1 2 367.287 3.982 20 30 FHEDLO Cc1cc(C#N)cc(C)c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000891967082 934605055 /nfs/dbraw/zinc/60/50/55/934605055.db2.gz DYFUIWVQSRVJLE-UHFFFAOYSA-N 1 2 354.479 3.870 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610905930 934609165 /nfs/dbraw/zinc/60/91/65/934609165.db2.gz ZDEHZGCMJZTIJJ-IBGZPJMESA-N 1 2 359.433 3.706 20 30 FHEDLO C#CCN(Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000796659747 934626342 /nfs/dbraw/zinc/62/63/42/934626342.db2.gz RXJHDILNUPAPFF-UHFFFAOYSA-N 1 2 368.506 3.796 20 30 FHEDLO COC(=O)c1ccc(Br)cc1C[NH+]1CCC(CCC#N)CC1 ZINC000582060411 935189094 /nfs/dbraw/zinc/18/90/94/935189094.db2.gz HVWLSHFMGMJUQU-UHFFFAOYSA-N 1 2 365.271 3.751 20 30 FHEDLO C=CCCn1cc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)nn1 ZINC000657332116 935243353 /nfs/dbraw/zinc/24/33/53/935243353.db2.gz WWMOMLDIEUHQIF-UHFFFAOYSA-N 1 2 367.497 3.663 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000516633226 945089394 /nfs/dbraw/zinc/08/93/94/945089394.db2.gz JRKWFRQDSKIFKO-UHFFFAOYSA-N 1 2 350.447 3.824 20 30 FHEDLO Cc1cc(C(=O)NC2CC[NH+](CC#Cc3ccccc3Cl)CC2)c(C)o1 ZINC000135033490 935507663 /nfs/dbraw/zinc/50/76/63/935507663.db2.gz ZGHZRTXOYXEWLW-UHFFFAOYSA-N 1 2 370.880 3.796 20 30 FHEDLO O=C(CC1CCCC1)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135065078 935636608 /nfs/dbraw/zinc/63/66/08/935636608.db2.gz VQROGMJTOSBIEG-UHFFFAOYSA-N 1 2 358.913 3.852 20 30 FHEDLO N#CCCN(C(=O)C[N@@H+]1CCC=C(c2ccco2)C1)c1cccc(Cl)c1 ZINC000511123954 935693778 /nfs/dbraw/zinc/69/37/78/935693778.db2.gz JPRKUGHRBPEKCW-UHFFFAOYSA-N 1 2 369.852 3.969 20 30 FHEDLO N#CCCN(C(=O)C[N@H+]1CCC=C(c2ccco2)C1)c1cccc(Cl)c1 ZINC000511123954 935693783 /nfs/dbraw/zinc/69/37/83/935693783.db2.gz JPRKUGHRBPEKCW-UHFFFAOYSA-N 1 2 369.852 3.969 20 30 FHEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000127811696 935810916 /nfs/dbraw/zinc/81/09/16/935810916.db2.gz GSQCPXJXJIKGPU-HNNXBMFYSA-N 1 2 363.845 3.650 20 30 FHEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000127811696 935810917 /nfs/dbraw/zinc/81/09/17/935810917.db2.gz GSQCPXJXJIKGPU-HNNXBMFYSA-N 1 2 363.845 3.650 20 30 FHEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000480019449 935942342 /nfs/dbraw/zinc/94/23/42/935942342.db2.gz MFWHBIMBUQOAPB-UHFFFAOYSA-N 1 2 366.808 3.966 20 30 FHEDLO O[C@@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cc(F)ccc1F ZINC000117351612 935971104 /nfs/dbraw/zinc/97/11/04/935971104.db2.gz FGIWKDFAVWCNED-NSHDSACASA-N 1 2 363.248 3.815 20 30 FHEDLO O[C@@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cc(F)ccc1F ZINC000117351612 935971106 /nfs/dbraw/zinc/97/11/06/935971106.db2.gz FGIWKDFAVWCNED-NSHDSACASA-N 1 2 363.248 3.815 20 30 FHEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)c2C)no1 ZINC000046528264 936098468 /nfs/dbraw/zinc/09/84/68/936098468.db2.gz DKLDDBGQRNMDMN-UHFFFAOYSA-N 1 2 362.433 3.577 20 30 FHEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@H+](C)Cc3ccc(C#N)cc3)c2C)no1 ZINC000046528264 936098473 /nfs/dbraw/zinc/09/84/73/936098473.db2.gz DKLDDBGQRNMDMN-UHFFFAOYSA-N 1 2 362.433 3.577 20 30 FHEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245699236 938310258 /nfs/dbraw/zinc/31/02/58/938310258.db2.gz QKCVGBWNWAMYOG-UYAOXDASSA-N 1 2 372.415 3.705 20 30 FHEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245699236 938310259 /nfs/dbraw/zinc/31/02/59/938310259.db2.gz QKCVGBWNWAMYOG-UYAOXDASSA-N 1 2 372.415 3.705 20 30 FHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(-c4ccsc4)n3)C2)nc1 ZINC000583686509 938361319 /nfs/dbraw/zinc/36/13/19/938361319.db2.gz CNMOIFQILYUPIA-MRXNPFEDSA-N 1 2 368.487 3.792 20 30 FHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)nc1 ZINC000583686509 938361322 /nfs/dbraw/zinc/36/13/22/938361322.db2.gz CNMOIFQILYUPIA-MRXNPFEDSA-N 1 2 368.487 3.792 20 30 FHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000583738650 938385874 /nfs/dbraw/zinc/38/58/74/938385874.db2.gz GUOBONCDISWENC-UHFFFAOYSA-N 1 2 372.266 3.607 20 30 FHEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000052580240 938407302 /nfs/dbraw/zinc/40/73/02/938407302.db2.gz PEPXQQZVOXMDOK-ZDUSSCGKSA-N 1 2 350.447 3.627 20 30 FHEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000052580240 938407303 /nfs/dbraw/zinc/40/73/03/938407303.db2.gz PEPXQQZVOXMDOK-ZDUSSCGKSA-N 1 2 350.447 3.627 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H](C)COC ZINC000661244804 938436782 /nfs/dbraw/zinc/43/67/82/938436782.db2.gz YJANUQSMVBDSEJ-LLVKDONJSA-N 1 2 364.795 3.820 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H](C)COC ZINC000661244804 938436783 /nfs/dbraw/zinc/43/67/83/938436783.db2.gz YJANUQSMVBDSEJ-LLVKDONJSA-N 1 2 364.795 3.820 20 30 FHEDLO COc1cc(C[NH2+][C@@H](C)c2ncc(Br)s2)ccc1C#N ZINC000583864368 938456618 /nfs/dbraw/zinc/45/66/18/938456618.db2.gz HYUWOWQMMPLWSP-VIFPVBQESA-N 1 2 352.257 3.637 20 30 FHEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000080916474 938704076 /nfs/dbraw/zinc/70/40/76/938704076.db2.gz BCJLRPMLDCNBOU-QFIPXVFZSA-N 1 2 370.456 3.664 20 30 FHEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000080916474 938704078 /nfs/dbraw/zinc/70/40/78/938704078.db2.gz BCJLRPMLDCNBOU-QFIPXVFZSA-N 1 2 370.456 3.664 20 30 FHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278763261 938833454 /nfs/dbraw/zinc/83/34/54/938833454.db2.gz MTPRSMSHTLHMDC-LBPRGKRZSA-N 1 2 357.401 3.515 20 30 FHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278763261 938833457 /nfs/dbraw/zinc/83/34/57/938833457.db2.gz MTPRSMSHTLHMDC-LBPRGKRZSA-N 1 2 357.401 3.515 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(F)c(C#N)c3)n2)C1 ZINC000507462204 945250185 /nfs/dbraw/zinc/25/01/85/945250185.db2.gz XERZYCJOIFYLHF-GFCCVEGCSA-N 1 2 358.442 3.638 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(F)c(C#N)c3)n2)C1 ZINC000507462204 945250190 /nfs/dbraw/zinc/25/01/90/945250190.db2.gz XERZYCJOIFYLHF-GFCCVEGCSA-N 1 2 358.442 3.638 20 30 FHEDLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC000612347118 940010955 /nfs/dbraw/zinc/01/09/55/940010955.db2.gz SYEMUYXYPFVYDY-UHFFFAOYSA-N 1 2 372.428 3.851 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@](C)(C#N)C2)c(C)c1 ZINC000612379452 940033858 /nfs/dbraw/zinc/03/38/58/940033858.db2.gz MEVXEUPLKUSXAB-PZJWPPBQSA-N 1 2 365.481 3.577 20 30 FHEDLO C[N@H+](Cc1cn2c(n1)CCCC2)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000375933838 940080965 /nfs/dbraw/zinc/08/09/65/940080965.db2.gz PUSGQVZHPDTPFM-UHFFFAOYSA-N 1 2 374.492 3.629 20 30 FHEDLO C[N@@H+](Cc1cn2c(n1)CCCC2)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000375933838 940080969 /nfs/dbraw/zinc/08/09/69/940080969.db2.gz PUSGQVZHPDTPFM-UHFFFAOYSA-N 1 2 374.492 3.629 20 30 FHEDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000375933838 940080971 /nfs/dbraw/zinc/08/09/71/940080971.db2.gz PUSGQVZHPDTPFM-UHFFFAOYSA-N 1 2 374.492 3.629 20 30 FHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000413843121 940176315 /nfs/dbraw/zinc/17/63/15/940176315.db2.gz ZFQGAHPORSWBKE-SXLOBPIMSA-N 1 2 352.482 3.663 20 30 FHEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000177671822 940344239 /nfs/dbraw/zinc/34/42/39/940344239.db2.gz NHAJCAXPIHQIFP-CQSZACIVSA-N 1 2 351.406 3.943 20 30 FHEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(-c2nc(C(C)(C)C)cs2)c1 ZINC000414153913 940686882 /nfs/dbraw/zinc/68/68/82/940686882.db2.gz SOMLVSZETSFRFT-MRXNPFEDSA-N 1 2 373.522 3.693 20 30 FHEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(-c2nc(C(C)(C)C)cs2)c1 ZINC000414153913 940686885 /nfs/dbraw/zinc/68/68/85/940686885.db2.gz SOMLVSZETSFRFT-MRXNPFEDSA-N 1 2 373.522 3.693 20 30 FHEDLO CC(C)C[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000330089907 945351371 /nfs/dbraw/zinc/35/13/71/945351371.db2.gz WGIRRMMJSGOTBM-CUWPLCDZSA-N 1 2 360.498 3.610 20 30 FHEDLO CC(C)C[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000330089907 945351383 /nfs/dbraw/zinc/35/13/83/945351383.db2.gz WGIRRMMJSGOTBM-CUWPLCDZSA-N 1 2 360.498 3.610 20 30 FHEDLO CCOc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1[N+](=O)[O-] ZINC000255896587 940832914 /nfs/dbraw/zinc/83/29/14/940832914.db2.gz VQMMJVMVLCBDHY-FPLPWBNLSA-N 1 2 351.362 3.846 20 30 FHEDLO O=C1c2cccc(Br)c2OC/C1=C\c1cccc2[nH+]ccn21 ZINC000180312591 940955627 /nfs/dbraw/zinc/95/56/27/940955627.db2.gz IVQNWUHZIFHULM-PKNBQFBNSA-N 1 2 355.191 3.756 20 30 FHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188697442 941009765 /nfs/dbraw/zinc/00/97/65/941009765.db2.gz ZAWOCPIWJMKKKH-UHFFFAOYSA-N 1 2 360.417 3.626 20 30 FHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188697442 941009768 /nfs/dbraw/zinc/00/97/68/941009768.db2.gz ZAWOCPIWJMKKKH-UHFFFAOYSA-N 1 2 360.417 3.626 20 30 FHEDLO N#CCSc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000177018540 941094333 /nfs/dbraw/zinc/09/43/33/941094333.db2.gz GGEPSLFEOZYTME-UHFFFAOYSA-N 1 2 372.519 3.997 20 30 FHEDLO COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@@](C)(C#N)C3)c2C)cc1 ZINC000613540195 941097542 /nfs/dbraw/zinc/09/75/42/941097542.db2.gz COTVHCOIVDCDGC-NRFANRHFSA-N 1 2 352.482 3.683 20 30 FHEDLO COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@](C)(C#N)C3)c2C)cc1 ZINC000613540195 941097544 /nfs/dbraw/zinc/09/75/44/941097544.db2.gz COTVHCOIVDCDGC-NRFANRHFSA-N 1 2 352.482 3.683 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccs3)CC2)c(Br)c1 ZINC000181146093 941110765 /nfs/dbraw/zinc/11/07/65/941110765.db2.gz RESJLGZLTYUNFJ-UHFFFAOYSA-N 1 2 362.296 3.704 20 30 FHEDLO C[C@H](c1cccc(NC(=O)/C=C/c2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000729408453 941747758 /nfs/dbraw/zinc/74/77/58/941747758.db2.gz HQWOIWWVAJWHTD-OAGJVSPASA-N 1 2 361.445 3.603 20 30 FHEDLO COc1ccc(C(N)=[NH+]OCc2cncc(OCc3ccccc3)c2)cc1 ZINC000783030726 941779880 /nfs/dbraw/zinc/77/98/80/941779880.db2.gz YKTQHXNLBIAHKO-UHFFFAOYSA-N 1 2 363.417 3.506 20 30 FHEDLO Cc1cn(C[N@@H+](C)Cc2ccc(C#N)cc2)c(=O)n1-c1ccccc1Cl ZINC000728708122 941909118 /nfs/dbraw/zinc/90/91/18/941909118.db2.gz XDCFCXUBZSKPOS-UHFFFAOYSA-N 1 2 366.852 3.562 20 30 FHEDLO Cc1cn(C[N@H+](C)Cc2ccc(C#N)cc2)c(=O)n1-c1ccccc1Cl ZINC000728708122 941909121 /nfs/dbraw/zinc/90/91/21/941909121.db2.gz XDCFCXUBZSKPOS-UHFFFAOYSA-N 1 2 366.852 3.562 20 30 FHEDLO Cc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc(C)[nH+]1 ZINC000420849261 942228652 /nfs/dbraw/zinc/22/86/52/942228652.db2.gz NNSXEKIFJBYBOQ-UHFFFAOYSA-N 1 2 350.466 3.938 20 30 FHEDLO N#Cc1c(F)ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1Cl ZINC000366748494 942296352 /nfs/dbraw/zinc/29/63/52/942296352.db2.gz BGNDOKDCVBUKPY-UHFFFAOYSA-N 1 2 350.850 3.520 20 30 FHEDLO N#Cc1c(F)ccc(C[N@H+]2CCCN(c3nccs3)CC2)c1Cl ZINC000366748494 942296354 /nfs/dbraw/zinc/29/63/54/942296354.db2.gz BGNDOKDCVBUKPY-UHFFFAOYSA-N 1 2 350.850 3.520 20 30 FHEDLO COc1cc(C#N)cc(Cl)c1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421181434 942390387 /nfs/dbraw/zinc/39/03/87/942390387.db2.gz JRLOXSJFXWIGNM-UHFFFAOYSA-N 1 2 372.852 3.631 20 30 FHEDLO CN(c1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1)C1CC1 ZINC000502505160 942483208 /nfs/dbraw/zinc/48/32/08/942483208.db2.gz DKJKZBTYAUQMCQ-UHFFFAOYSA-N 1 2 350.491 3.903 20 30 FHEDLO CN(c1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1)C1CC1 ZINC000502505160 942483213 /nfs/dbraw/zinc/48/32/13/942483213.db2.gz DKJKZBTYAUQMCQ-UHFFFAOYSA-N 1 2 350.491 3.903 20 30 FHEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2cccnc2)no1 ZINC000421343229 942497146 /nfs/dbraw/zinc/49/71/46/942497146.db2.gz PTORALXTAKUJMY-KRWDZBQOSA-N 1 2 351.385 3.629 20 30 FHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000501529079 942525908 /nfs/dbraw/zinc/52/59/08/942525908.db2.gz CRJPOMOODDSKPN-KRWDZBQOSA-N 1 2 362.315 3.822 20 30 FHEDLO CCOc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502532899 942531520 /nfs/dbraw/zinc/53/15/20/942531520.db2.gz XEEWPFAPMWHFJG-UHFFFAOYSA-N 1 2 361.445 3.685 20 30 FHEDLO CCOc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502532899 942531522 /nfs/dbraw/zinc/53/15/22/942531522.db2.gz XEEWPFAPMWHFJG-UHFFFAOYSA-N 1 2 361.445 3.685 20 30 FHEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000513992173 942654175 /nfs/dbraw/zinc/65/41/75/942654175.db2.gz NXZMIFYNWDMRMC-LJQANCHMSA-N 1 2 367.880 3.928 20 30 FHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000501799607 942682302 /nfs/dbraw/zinc/68/23/02/942682302.db2.gz AFZCTJRQYMRYPO-CQSZACIVSA-N 1 2 356.388 3.606 20 30 FHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000501799607 942682307 /nfs/dbraw/zinc/68/23/07/942682307.db2.gz AFZCTJRQYMRYPO-CQSZACIVSA-N 1 2 356.388 3.606 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@](C)(c3ccc(C)cc3)C2)c(C#N)c1C ZINC000434754537 942944981 /nfs/dbraw/zinc/94/49/81/942944981.db2.gz UHHRFBFDAKLCAV-NRFANRHFSA-N 1 2 351.450 3.679 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@](C)(c3ccc(C)cc3)C2)c(C#N)c1C ZINC000434754537 942944983 /nfs/dbraw/zinc/94/49/83/942944983.db2.gz UHHRFBFDAKLCAV-NRFANRHFSA-N 1 2 351.450 3.679 20 30 FHEDLO CC1(C#N)CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000272621890 943188634 /nfs/dbraw/zinc/18/86/34/943188634.db2.gz UVLMVIOXOLOAKK-UHFFFAOYSA-N 1 2 361.243 3.625 20 30 FHEDLO C=CC[C@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503465984 943201054 /nfs/dbraw/zinc/20/10/54/943201054.db2.gz MAVRXTSBCPZKEX-BBRMVZONSA-N 1 2 351.288 3.667 20 30 FHEDLO N#Cc1ccc(CO[NH+]=C(N)Cc2cccc(F)c2)c(Br)c1 ZINC000783159343 943222550 /nfs/dbraw/zinc/22/25/50/943222550.db2.gz YBQDLVDTVMMWMV-UHFFFAOYSA-N 1 2 362.202 3.701 20 30 FHEDLO N#Cc1ccc(C2=CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000503906302 943413648 /nfs/dbraw/zinc/41/36/48/943413648.db2.gz AWHSPHDPPHBAGN-UHFFFAOYSA-N 1 2 368.440 3.733 20 30 FHEDLO CC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccc(C#N)c1O ZINC000925589928 943469386 /nfs/dbraw/zinc/46/93/86/943469386.db2.gz DISRKNKSGNWDOB-HRAATJIYSA-N 1 2 364.493 3.925 20 30 FHEDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(C#N)CC2)cc1OC ZINC000515050390 943475346 /nfs/dbraw/zinc/47/53/46/943475346.db2.gz GVFZAYNELBWRCO-CQSZACIVSA-N 1 2 361.442 3.764 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000584806655 943646686 /nfs/dbraw/zinc/64/66/86/943646686.db2.gz QCLLFWUYAOTFFH-UHFFFAOYSA-N 1 2 374.488 3.734 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000584806655 943646689 /nfs/dbraw/zinc/64/66/89/943646689.db2.gz QCLLFWUYAOTFFH-UHFFFAOYSA-N 1 2 374.488 3.734 20 30 FHEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424765361 944105739 /nfs/dbraw/zinc/10/57/39/944105739.db2.gz SBBDUHOQLSXBTI-NVXWUHKLSA-N 1 2 354.416 3.958 20 30 FHEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424765361 944105744 /nfs/dbraw/zinc/10/57/44/944105744.db2.gz SBBDUHOQLSXBTI-NVXWUHKLSA-N 1 2 354.416 3.958 20 30 FHEDLO CC(C)S(=O)(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425531837 944254405 /nfs/dbraw/zinc/25/44/05/944254405.db2.gz IFSQYGWDLRTMNF-INIZCTEOSA-N 1 2 356.491 3.933 20 30 FHEDLO CC(C)S(=O)(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425531837 944254412 /nfs/dbraw/zinc/25/44/12/944254412.db2.gz IFSQYGWDLRTMNF-INIZCTEOSA-N 1 2 356.491 3.933 20 30 FHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OCc1ccc(C(=O)OC)cc1 ZINC000437970083 944258059 /nfs/dbraw/zinc/25/80/59/944258059.db2.gz AJTJYBYRQIBJJJ-IBGZPJMESA-N 1 2 352.434 3.834 20 30 FHEDLO C[N@@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000092693627 944315543 /nfs/dbraw/zinc/31/55/43/944315543.db2.gz SPWAUOWVIOKQER-STQMWFEESA-N 1 2 354.813 3.804 20 30 FHEDLO C[N@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000092693627 944315551 /nfs/dbraw/zinc/31/55/51/944315551.db2.gz SPWAUOWVIOKQER-STQMWFEESA-N 1 2 354.813 3.804 20 30 FHEDLO N#Cc1ccccc1-c1ccc(COC(=O)CCc2ccc(N)[nH+]c2)cc1 ZINC000759812321 944359125 /nfs/dbraw/zinc/35/91/25/944359125.db2.gz XLJQKPLRJXQNRD-UHFFFAOYSA-N 1 2 357.413 3.878 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c(OC(F)F)c1 ZINC000437892481 944388636 /nfs/dbraw/zinc/38/86/36/944388636.db2.gz XYXDWVNBTHLGSV-UHFFFAOYSA-N 1 2 359.376 3.598 20 30 FHEDLO Cc1cc(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)n1-c1nccs1 ZINC000085786052 944623298 /nfs/dbraw/zinc/62/32/98/944623298.db2.gz HYMXXAMZMHPVHN-UHFFFAOYSA-N 1 2 364.474 3.737 20 30 FHEDLO Cc1cc(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(C)n1-c1nccs1 ZINC000085786052 944623304 /nfs/dbraw/zinc/62/33/04/944623304.db2.gz HYMXXAMZMHPVHN-UHFFFAOYSA-N 1 2 364.474 3.737 20 30 FHEDLO Cc1nc2ccc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cc2s1 ZINC000426046061 944733575 /nfs/dbraw/zinc/73/35/75/944733575.db2.gz PBBKOZZXPZNDIJ-FQEVSTJZSA-N 1 2 362.502 3.987 20 30 FHEDLO CC(C)Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843475 944903844 /nfs/dbraw/zinc/90/38/44/944903844.db2.gz UODDOGMVYHTNAS-UHFFFAOYSA-N 1 2 361.489 3.715 20 30 FHEDLO CC(C)Oc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507162727 944995735 /nfs/dbraw/zinc/99/57/35/944995735.db2.gz DMUJLQHNGBKGBV-UHFFFAOYSA-N 1 2 353.441 3.807 20 30 FHEDLO N#Cc1csc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)n1 ZINC000516606342 945048499 /nfs/dbraw/zinc/04/84/99/945048499.db2.gz ILJAKVMXGJJBQD-UHFFFAOYSA-N 1 2 354.479 3.823 20 30 FHEDLO CC(C)c1ccc2c(c1)[C@H]([NH+]=C([O-])N[C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000330183136 945391609 /nfs/dbraw/zinc/39/16/09/945391609.db2.gz HSEAAFAALWKPGW-PKOBYXMFSA-N 1 2 352.482 3.903 20 30 FHEDLO CC(C)c1ccc2c(c1)[C@@H]([NH+]=C([O-])N[C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000330183132 945391700 /nfs/dbraw/zinc/39/17/00/945391700.db2.gz HSEAAFAALWKPGW-HKUYNNGSSA-N 1 2 352.482 3.903 20 30 FHEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330201392 945400253 /nfs/dbraw/zinc/40/02/53/945400253.db2.gz XRZYFQRKVXFAAK-NVXWUHKLSA-N 1 2 366.465 3.538 20 30 FHEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[C@H]1c1ccccc1 ZINC000330201159 945400335 /nfs/dbraw/zinc/40/03/35/945400335.db2.gz XJDQSFKYNHBASJ-BHIYHBOVSA-N 1 2 352.482 3.628 20 30 FHEDLO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC(C)(C)O1 ZINC000330232908 945415928 /nfs/dbraw/zinc/41/59/28/945415928.db2.gz FRBOJILLYPWJSQ-HNNXBMFYSA-N 1 2 368.481 3.931 20 30 FHEDLO Cc1cc(C)c(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000330243564 945420576 /nfs/dbraw/zinc/42/05/76/945420576.db2.gz JWFJKGFISIUIOP-GFCCVEGCSA-N 1 2 363.259 3.603 20 30 FHEDLO C[C@H](CC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)NC(=O)C1CCCC1 ZINC000330326786 945566049 /nfs/dbraw/zinc/56/60/49/945566049.db2.gz KILRROCGYPAQAZ-UNEWFSDZSA-N 1 2 362.474 3.522 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660970108 945608244 /nfs/dbraw/zinc/60/82/44/945608244.db2.gz XXVUSZGFGIYSSB-WTLGNFPFSA-N 1 2 361.436 3.603 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660970108 945608249 /nfs/dbraw/zinc/60/82/49/945608249.db2.gz XXVUSZGFGIYSSB-WTLGNFPFSA-N 1 2 361.436 3.603 20 30 FHEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000408157607 945639953 /nfs/dbraw/zinc/63/99/53/945639953.db2.gz DWDWBDLDQRSOLH-UHFFFAOYSA-N 1 2 369.465 3.682 20 30 FHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000281445328 945644260 /nfs/dbraw/zinc/64/42/60/945644260.db2.gz CECBKTNJCVKMBV-UHFFFAOYSA-N 1 2 352.482 3.799 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[NH+]1CC(C)C1 ZINC000519715604 945691476 /nfs/dbraw/zinc/69/14/76/945691476.db2.gz YURBIOPVGXKUMR-OAHLLOKOSA-N 1 2 367.424 3.555 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000027775547 945757074 /nfs/dbraw/zinc/75/70/74/945757074.db2.gz NQMQYRMAAFWWEN-UHFFFAOYSA-N 1 2 359.813 3.875 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000027775547 945757090 /nfs/dbraw/zinc/75/70/90/945757090.db2.gz NQMQYRMAAFWWEN-UHFFFAOYSA-N 1 2 359.813 3.875 20 30 FHEDLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000519918242 945895359 /nfs/dbraw/zinc/89/53/59/945895359.db2.gz ITRWHRMJHPLWAB-CQSZACIVSA-N 1 2 365.260 3.737 20 30 FHEDLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000519918242 945895367 /nfs/dbraw/zinc/89/53/67/945895367.db2.gz ITRWHRMJHPLWAB-CQSZACIVSA-N 1 2 365.260 3.737 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000444187488 946047452 /nfs/dbraw/zinc/04/74/52/946047452.db2.gz APVZYJZAUHZCEJ-QGZVFWFLSA-N 1 2 362.539 3.686 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC000444187488 946047465 /nfs/dbraw/zinc/04/74/65/946047465.db2.gz APVZYJZAUHZCEJ-QGZVFWFLSA-N 1 2 362.539 3.686 20 30 FHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000186262033 946697114 /nfs/dbraw/zinc/69/71/14/946697114.db2.gz RWDWEONRLWAPPN-UHFFFAOYSA-N 1 2 362.502 3.794 20 30 FHEDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128504151 946808401 /nfs/dbraw/zinc/80/84/01/946808401.db2.gz RZMOSUYCXRSGLR-AWEZNQCLSA-N 1 2 362.882 3.678 20 30 FHEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128504151 946808411 /nfs/dbraw/zinc/80/84/11/946808411.db2.gz RZMOSUYCXRSGLR-AWEZNQCLSA-N 1 2 362.882 3.678 20 30 FHEDLO COc1ccsc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475341189 946911558 /nfs/dbraw/zinc/91/15/58/946911558.db2.gz AJDUFIDITYVLHG-MRXNPFEDSA-N 1 2 361.898 3.793 20 30 FHEDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCNC(=O)C1 ZINC000328707484 946998489 /nfs/dbraw/zinc/99/84/89/946998489.db2.gz ZMOLMDBAZCQCIH-SWLSCSKDSA-N 1 2 367.852 3.939 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CCc2ncc(C(C)(C)C)o2)CCO1 ZINC000328742180 947006264 /nfs/dbraw/zinc/00/62/64/947006264.db2.gz JITVNSCQMXVEER-HIFRSBDPSA-N 1 2 360.458 3.515 20 30 FHEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C1CCC1)C1CCCCC1 ZINC000328766412 947018337 /nfs/dbraw/zinc/01/83/37/947018337.db2.gz HEGHQERGBABZBV-OALUTQOASA-N 1 2 372.513 3.649 20 30 FHEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C1CCC1)C1CCCCC1 ZINC000328766412 947018348 /nfs/dbraw/zinc/01/83/48/947018348.db2.gz HEGHQERGBABZBV-OALUTQOASA-N 1 2 372.513 3.649 20 30 FHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000328773217 947021450 /nfs/dbraw/zinc/02/14/50/947021450.db2.gz DOKVYULLLWUEDA-JJRVBVJISA-N 1 2 369.387 3.705 20 30 FHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000328773217 947021455 /nfs/dbraw/zinc/02/14/55/947021455.db2.gz DOKVYULLLWUEDA-JJRVBVJISA-N 1 2 369.387 3.705 20 30 FHEDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1cccc2ccccc21 ZINC000328773818 947022187 /nfs/dbraw/zinc/02/21/87/947022187.db2.gz HMDROZIGRAZYMF-GDIGMMSISA-N 1 2 351.450 3.908 20 30 FHEDLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1cccc2ccccc21 ZINC000328773818 947022199 /nfs/dbraw/zinc/02/21/99/947022199.db2.gz HMDROZIGRAZYMF-GDIGMMSISA-N 1 2 351.450 3.908 20 30 FHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000328773218 947022231 /nfs/dbraw/zinc/02/22/31/947022231.db2.gz DOKVYULLLWUEDA-VBQJREDUSA-N 1 2 369.387 3.705 20 30 FHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000328773218 947022241 /nfs/dbraw/zinc/02/22/41/947022241.db2.gz DOKVYULLLWUEDA-VBQJREDUSA-N 1 2 369.387 3.705 20 30 FHEDLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@H]1CCCC(=O)N1 ZINC000328821318 947038650 /nfs/dbraw/zinc/03/86/50/947038650.db2.gz RDBTWEWTDACCKQ-GDBMZVCRSA-N 1 2 367.852 3.909 20 30 FHEDLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@H]1CCCC(=O)N1 ZINC000328821318 947038659 /nfs/dbraw/zinc/03/86/59/947038659.db2.gz RDBTWEWTDACCKQ-GDBMZVCRSA-N 1 2 367.852 3.909 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328791770 947048420 /nfs/dbraw/zinc/04/84/20/947048420.db2.gz MFPMHOGBSPEHCU-SQWLQELKSA-N 1 2 353.825 3.690 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328791770 947048429 /nfs/dbraw/zinc/04/84/29/947048429.db2.gz MFPMHOGBSPEHCU-SQWLQELKSA-N 1 2 353.825 3.690 20 30 FHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CCCCC1 ZINC000328895841 947085714 /nfs/dbraw/zinc/08/57/14/947085714.db2.gz WNAQMHZUEZUJKS-KRWDZBQOSA-N 1 2 369.465 3.778 20 30 FHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CCCCC1 ZINC000328895841 947085723 /nfs/dbraw/zinc/08/57/23/947085723.db2.gz WNAQMHZUEZUJKS-KRWDZBQOSA-N 1 2 369.465 3.778 20 30 FHEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(F)c2)CC12CCCCC2 ZINC000328942717 947096591 /nfs/dbraw/zinc/09/65/91/947096591.db2.gz AEHKRTHNOGRLOQ-OAHLLOKOSA-N 1 2 361.461 3.669 20 30 FHEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)Nc2cccc(F)c2)CC12CCCCC2 ZINC000328942717 947096601 /nfs/dbraw/zinc/09/66/01/947096601.db2.gz AEHKRTHNOGRLOQ-OAHLLOKOSA-N 1 2 361.461 3.669 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000444683345 947108479 /nfs/dbraw/zinc/10/84/79/947108479.db2.gz FXHBKGDPJZGIHK-UHFFFAOYSA-N 1 2 359.389 3.632 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000444683345 947108488 /nfs/dbraw/zinc/10/84/88/947108488.db2.gz FXHBKGDPJZGIHK-UHFFFAOYSA-N 1 2 359.389 3.632 20 30 FHEDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000328932229 947115443 /nfs/dbraw/zinc/11/54/43/947115443.db2.gz DHCHTNCONZFGNP-JRRQCCCHSA-N 1 2 372.484 3.859 20 30 FHEDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000328932229 947115452 /nfs/dbraw/zinc/11/54/52/947115452.db2.gz DHCHTNCONZFGNP-JRRQCCCHSA-N 1 2 372.484 3.859 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444719653 947160739 /nfs/dbraw/zinc/16/07/39/947160739.db2.gz ZLRBLCCVLURIJW-MNOVXSKESA-N 1 2 371.428 3.710 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444719653 947160743 /nfs/dbraw/zinc/16/07/43/947160743.db2.gz ZLRBLCCVLURIJW-MNOVXSKESA-N 1 2 371.428 3.710 20 30 FHEDLO C=C[C@](C)(CCOC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003396 947237654 /nfs/dbraw/zinc/23/76/54/947237654.db2.gz ZWDJZRJHHUUXLG-DJPFJPOOSA-N 1 2 371.481 3.512 20 30 FHEDLO C=C[C@](C)(CCOC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003396 947237665 /nfs/dbraw/zinc/23/76/65/947237665.db2.gz ZWDJZRJHHUUXLG-DJPFJPOOSA-N 1 2 371.481 3.512 20 30 FHEDLO C=CC[C@H]1N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCC1(C)C ZINC000444878576 947303665 /nfs/dbraw/zinc/30/36/65/947303665.db2.gz PNJFIJYHGVRJBQ-GOSISDBHSA-N 1 2 356.514 3.958 20 30 FHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC2(OC)CCC(C)CC2)c1C ZINC000331061674 947337748 /nfs/dbraw/zinc/33/77/48/947337748.db2.gz OFWMZWYEOFVGRH-UHFFFAOYSA-N 1 2 363.502 3.648 20 30 FHEDLO Cc1cc(C)c(NC(=O)NCCC2CCN(CC(F)(F)F)CC2)c(C)[nH+]1 ZINC000331312269 947384634 /nfs/dbraw/zinc/38/46/34/947384634.db2.gz HVTTYDJHHOAQTM-UHFFFAOYSA-N 1 2 372.435 3.997 20 30 FHEDLO C=CC(C)(C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000458982566 947649198 /nfs/dbraw/zinc/64/91/98/947649198.db2.gz BIBMOSNEPRHRFC-GJZGRUSLSA-N 1 2 353.507 3.514 20 30 FHEDLO C=CC(C)(C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000458982566 947649205 /nfs/dbraw/zinc/64/92/05/947649205.db2.gz BIBMOSNEPRHRFC-GJZGRUSLSA-N 1 2 353.507 3.514 20 30 FHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000066953773 947877109 /nfs/dbraw/zinc/87/71/09/947877109.db2.gz IMEFEWNEAXTREN-HNNXBMFYSA-N 1 2 357.483 3.879 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000278887504 947997355 /nfs/dbraw/zinc/99/73/55/947997355.db2.gz IMHPIAMSSVAVPC-VHSXEESVSA-N 1 2 368.384 3.711 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc(C#N)cs2)c(C)c1 ZINC000441500941 948104661 /nfs/dbraw/zinc/10/46/61/948104661.db2.gz PPYLPRBQKNWVAJ-KRWDZBQOSA-N 1 2 350.447 3.604 20 30 FHEDLO C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000432355443 948204393 /nfs/dbraw/zinc/20/43/93/948204393.db2.gz DXLQRWGTMWSQBC-IRXDYDNUSA-N 1 2 351.441 3.612 20 30 FHEDLO C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000432355443 948204401 /nfs/dbraw/zinc/20/44/01/948204401.db2.gz DXLQRWGTMWSQBC-IRXDYDNUSA-N 1 2 351.441 3.612 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000512146229 948555978 /nfs/dbraw/zinc/55/59/78/948555978.db2.gz GYSPZTYOXBZGGZ-INIZCTEOSA-N 1 2 356.466 3.740 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000512146229 948555984 /nfs/dbraw/zinc/55/59/84/948555984.db2.gz GYSPZTYOXBZGGZ-INIZCTEOSA-N 1 2 356.466 3.740 20 30 FHEDLO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000097010280 222150766 /nfs/dbraw/zinc/15/07/66/222150766.db2.gz FQXUWLVSTXJITE-IBGZPJMESA-N 1 2 367.449 3.942 20 30 FHEDLO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000097010280 222150769 /nfs/dbraw/zinc/15/07/69/222150769.db2.gz FQXUWLVSTXJITE-IBGZPJMESA-N 1 2 367.449 3.942 20 30 FHEDLO C=CC(C)(C)CCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000628314234 567927271 /nfs/dbraw/zinc/92/72/71/567927271.db2.gz QYSXEIXVSJMFDV-UHFFFAOYSA-N 1 2 367.493 3.875 20 30 FHEDLO CN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[C@H]1C#N ZINC000602916602 568012206 /nfs/dbraw/zinc/01/22/06/568012206.db2.gz NZJNXABBHRVVJC-HNAYVOBHSA-N 1 2 361.449 3.758 20 30 FHEDLO N#Cc1ccc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1F ZINC000568334025 568025987 /nfs/dbraw/zinc/02/59/87/568025987.db2.gz QDCQFPNQEXHIHC-UHFFFAOYSA-N 1 2 367.428 3.794 20 30 FHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188638624 568031027 /nfs/dbraw/zinc/03/10/27/568031027.db2.gz HGWJUOPHFGDQTO-YQVWRLOYSA-N 1 2 368.880 3.569 20 30 FHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188638624 568031028 /nfs/dbraw/zinc/03/10/28/568031028.db2.gz HGWJUOPHFGDQTO-YQVWRLOYSA-N 1 2 368.880 3.569 20 30 FHEDLO C[C@H]1CN(c2ccc(CNc3cccc(C(F)F)c3C#N)c[nH+]2)CCO1 ZINC000568700456 568129096 /nfs/dbraw/zinc/12/90/96/568129096.db2.gz CAAHJCNAUIEOME-ZDUSSCGKSA-N 1 2 358.392 3.728 20 30 FHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000603855783 568168029 /nfs/dbraw/zinc/16/80/29/568168029.db2.gz QCJAISFUMKHAOR-WMZOPIPTSA-N 1 2 366.292 3.939 20 30 FHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000603855783 568168030 /nfs/dbraw/zinc/16/80/30/568168030.db2.gz QCJAISFUMKHAOR-WMZOPIPTSA-N 1 2 366.292 3.939 20 30 FHEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1C#N ZINC000568935918 568253875 /nfs/dbraw/zinc/25/38/75/568253875.db2.gz RARYRDZMLKYJBG-UHFFFAOYSA-N 1 2 366.412 3.664 20 30 FHEDLO C=CCOc1ccccc1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000604341357 568262339 /nfs/dbraw/zinc/26/23/39/568262339.db2.gz QHMXZDHGQSZGMI-QGZVFWFLSA-N 1 2 360.404 3.562 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(F)cc2F)c1 ZINC000024949856 568303488 /nfs/dbraw/zinc/30/34/88/568303488.db2.gz UVOOCLSKOBFSCG-UHFFFAOYSA-N 1 2 371.431 3.960 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(F)cc2F)c1 ZINC000024949856 568303489 /nfs/dbraw/zinc/30/34/89/568303489.db2.gz UVOOCLSKOBFSCG-UHFFFAOYSA-N 1 2 371.431 3.960 20 30 FHEDLO N#Cc1cc(F)c(NCCc2cn3ccccc3[nH+]2)cc1Br ZINC000570244336 568466043 /nfs/dbraw/zinc/46/60/43/568466043.db2.gz MKSGRAXLMANWPJ-UHFFFAOYSA-N 1 2 359.202 3.762 20 30 FHEDLO CC[C@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000510081151 927900804 /nfs/dbraw/zinc/90/08/04/927900804.db2.gz HBHMYOINLBAKPQ-OAQYLSRUSA-N 1 2 353.510 3.809 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728196279 928055497 /nfs/dbraw/zinc/05/54/97/928055497.db2.gz NYWQAKGPSKIMFQ-IBGZPJMESA-N 1 2 368.452 3.796 20 30 FHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728196279 928055511 /nfs/dbraw/zinc/05/55/11/928055511.db2.gz NYWQAKGPSKIMFQ-IBGZPJMESA-N 1 2 368.452 3.796 20 30 FHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000157532961 928213184 /nfs/dbraw/zinc/21/31/84/928213184.db2.gz FZFHRNMVVXQFJO-UHFFFAOYSA-N 1 2 364.380 3.679 20 30 FHEDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000430237818 928396142 /nfs/dbraw/zinc/39/61/42/928396142.db2.gz JFJXABLFASZNKG-MOPGFXCFSA-N 1 2 351.406 3.875 20 30 FHEDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000430237818 928396154 /nfs/dbraw/zinc/39/61/54/928396154.db2.gz JFJXABLFASZNKG-MOPGFXCFSA-N 1 2 351.406 3.875 20 30 FHEDLO C[C@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000610322054 929927838 /nfs/dbraw/zinc/92/78/38/929927838.db2.gz GLLMJNYLJMMSOD-JXFKEZNVSA-N 1 2 373.460 3.636 20 30 FHEDLO N#Cc1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)cc1C(F)(F)F ZINC000610330961 929980975 /nfs/dbraw/zinc/98/09/75/929980975.db2.gz SKMDRKPFASVNPH-UHFFFAOYSA-N 1 2 374.366 3.714 20 30 FHEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000156036343 937385014 /nfs/dbraw/zinc/38/50/14/937385014.db2.gz DVTVGMGNNCXHQN-CYBMUJFWSA-N 1 2 366.234 3.964 20 30 FHEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000156036343 937385018 /nfs/dbraw/zinc/38/50/18/937385018.db2.gz DVTVGMGNNCXHQN-CYBMUJFWSA-N 1 2 366.234 3.964 20 30 FHEDLO C[C@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(C#N)c1 ZINC000610357893 930118661 /nfs/dbraw/zinc/11/86/61/930118661.db2.gz VYNVMQRJSZZZGO-OXJNMPFZSA-N 1 2 373.460 3.636 20 30 FHEDLO N#Cc1ccc(-c2ccc(-c3noc([C@@H]4CC[NH2+]CC4(F)F)n3)cc2)cc1 ZINC001211579530 937414032 /nfs/dbraw/zinc/41/40/32/937414032.db2.gz DOYRCVHIRZZZDE-KRWDZBQOSA-N 1 2 366.371 3.987 20 30 FHEDLO N#Cc1cc(Cl)c(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)cc1Cl ZINC001211579823 937423362 /nfs/dbraw/zinc/42/33/62/937423362.db2.gz JKMGXZSOPSCYGK-SECBINFHSA-N 1 2 359.163 3.627 20 30 FHEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc(OC)c1OC ZINC000255236513 931295920 /nfs/dbraw/zinc/29/59/20/931295920.db2.gz IAZWEQKDXLESHG-SREVYHEPSA-N 1 2 352.390 3.565 20 30 FHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC000580925317 931352984 /nfs/dbraw/zinc/35/29/84/931352984.db2.gz OZGVEQMSEYBGAC-HXUWFJFHSA-N 1 2 354.475 3.559 20 30 FHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC000580925317 931352988 /nfs/dbraw/zinc/35/29/88/931352988.db2.gz OZGVEQMSEYBGAC-HXUWFJFHSA-N 1 2 354.475 3.559 20 30 FHEDLO C=C(C)COc1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)ccc1OC ZINC000580945154 931385891 /nfs/dbraw/zinc/38/58/91/931385891.db2.gz ZPUHJMBZZHITPJ-UHFFFAOYSA-N 1 2 355.434 3.750 20 30 FHEDLO C=C(C)COc1cc(C[N@H+]2CCOc3cc(O)ccc3C2)ccc1OC ZINC000580945154 931385901 /nfs/dbraw/zinc/38/59/01/931385901.db2.gz ZPUHJMBZZHITPJ-UHFFFAOYSA-N 1 2 355.434 3.750 20 30 FHEDLO C=CCc1cc(C)c[nH+]c1NC[C@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC001167445038 931541087 /nfs/dbraw/zinc/54/10/87/931541087.db2.gz HUWCHJYLHJBZFK-FQEVSTJZSA-N 1 2 355.457 3.571 20 30 FHEDLO C=CCC[C@@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000128776282 931855025 /nfs/dbraw/zinc/85/50/25/931855025.db2.gz GQTWAVRCLSLTQY-LJQANCHMSA-N 1 2 373.884 3.503 20 30 FHEDLO C=CCC[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000128776282 931855031 /nfs/dbraw/zinc/85/50/31/931855031.db2.gz GQTWAVRCLSLTQY-LJQANCHMSA-N 1 2 373.884 3.503 20 30 FHEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000328770180 931902232 /nfs/dbraw/zinc/90/22/32/931902232.db2.gz GQRWHULVJNSLPN-QZTJIDSGSA-N 1 2 357.498 3.534 20 30 FHEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000328770180 931902243 /nfs/dbraw/zinc/90/22/43/931902243.db2.gz GQRWHULVJNSLPN-QZTJIDSGSA-N 1 2 357.498 3.534 20 30 FHEDLO N#Cc1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000581432175 932061912 /nfs/dbraw/zinc/06/19/12/932061912.db2.gz MSVKFLGXBTYHJX-INIZCTEOSA-N 1 2 357.435 3.709 20 30 FHEDLO N#Cc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000581432175 932061914 /nfs/dbraw/zinc/06/19/14/932061914.db2.gz MSVKFLGXBTYHJX-INIZCTEOSA-N 1 2 357.435 3.709 20 30 FHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(N2CCOCC2)cc1Cl ZINC000134487925 932086231 /nfs/dbraw/zinc/08/62/31/932086231.db2.gz QKPKNNNDBFYCRP-FNORWQNLSA-N 1 2 367.836 3.720 20 30 FHEDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000276271655 932138648 /nfs/dbraw/zinc/13/86/48/932138648.db2.gz QEXVFNPRNMPRMG-CQSZACIVSA-N 1 2 371.428 3.904 20 30 FHEDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000276271655 932138649 /nfs/dbraw/zinc/13/86/49/932138649.db2.gz QEXVFNPRNMPRMG-CQSZACIVSA-N 1 2 371.428 3.904 20 30 FHEDLO C=CC[C@H](CC)NC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000375640327 932230908 /nfs/dbraw/zinc/23/09/08/932230908.db2.gz OIXCGAYRRSQJAU-KRWDZBQOSA-N 1 2 373.545 3.873 20 30 FHEDLO C=C(C)COc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000129695844 932363189 /nfs/dbraw/zinc/36/31/89/932363189.db2.gz DJMUUDWRMCJKCN-LJQANCHMSA-N 1 2 353.422 3.722 20 30 FHEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCc2c(Br)cccc2C1 ZINC001204572280 932700253 /nfs/dbraw/zinc/70/02/53/932700253.db2.gz HUXRLKUANYQZDY-UHFFFAOYSA-N 1 2 370.294 3.945 20 30 FHEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCc2c(Br)cccc2C1 ZINC001204572280 932700259 /nfs/dbraw/zinc/70/02/59/932700259.db2.gz HUXRLKUANYQZDY-UHFFFAOYSA-N 1 2 370.294 3.945 20 30 FHEDLO COCC[N@H+](Cc1cnc(CC(F)(F)F)s1)Cc1ccc(C#N)cc1 ZINC000891681309 932984421 /nfs/dbraw/zinc/98/44/21/932984421.db2.gz SYHPPCPSEJIICJ-UHFFFAOYSA-N 1 2 369.412 3.768 20 30 FHEDLO COCC[N@@H+](Cc1cnc(CC(F)(F)F)s1)Cc1ccc(C#N)cc1 ZINC000891681309 932984426 /nfs/dbraw/zinc/98/44/26/932984426.db2.gz SYHPPCPSEJIICJ-UHFFFAOYSA-N 1 2 369.412 3.768 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000328962021 933451272 /nfs/dbraw/zinc/45/12/72/933451272.db2.gz KXULUEOWOINHST-IVAOSVALSA-N 1 2 372.509 3.536 20 30 FHEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000328962021 933451276 /nfs/dbraw/zinc/45/12/76/933451276.db2.gz KXULUEOWOINHST-IVAOSVALSA-N 1 2 372.509 3.536 20 30 FHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000610675043 933737637 /nfs/dbraw/zinc/73/76/37/933737637.db2.gz SKFGJMLGDPOYPV-CXAGYDPISA-N 1 2 353.919 3.832 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000610675043 933737643 /nfs/dbraw/zinc/73/76/43/933737643.db2.gz SKFGJMLGDPOYPV-CXAGYDPISA-N 1 2 353.919 3.832 20 30 FHEDLO COc1ccc(F)c(F)c1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001143413987 933914105 /nfs/dbraw/zinc/91/41/05/933914105.db2.gz XITAJNNNTPBHGO-UHFFFAOYSA-N 1 2 358.388 3.888 20 30 FHEDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)COc1cccc(C#N)c1)c1ccccc1 ZINC000780373211 934133058 /nfs/dbraw/zinc/13/30/58/934133058.db2.gz MKNFYPMBFUGGQM-OXJNMPFZSA-N 1 2 352.434 3.562 20 30 FHEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)COc1cccc(C#N)c1)c1ccccc1 ZINC000780373211 934133066 /nfs/dbraw/zinc/13/30/66/934133066.db2.gz MKNFYPMBFUGGQM-OXJNMPFZSA-N 1 2 352.434 3.562 20 30 FHEDLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510944036 934206986 /nfs/dbraw/zinc/20/69/86/934206986.db2.gz DFAAHOVJKAVQKM-QGZVFWFLSA-N 1 2 365.452 3.608 20 30 FHEDLO CCCCn1c(SCc2ccnc(C#N)c2)nnc1[C@@H](CC)[NH+](C)C ZINC000610955177 934654782 /nfs/dbraw/zinc/65/47/82/934654782.db2.gz UPIKFNRRVLMCGW-MRXNPFEDSA-N 1 2 358.515 3.650 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)cc1Cl ZINC000123524345 935119475 /nfs/dbraw/zinc/11/94/75/935119475.db2.gz XZHLAMZDVMJEKW-UHFFFAOYSA-N 1 2 350.890 3.595 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)cc1Cl ZINC000123524345 935119478 /nfs/dbraw/zinc/11/94/78/935119478.db2.gz XZHLAMZDVMJEKW-UHFFFAOYSA-N 1 2 350.890 3.595 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511075431 935284664 /nfs/dbraw/zinc/28/46/64/935284664.db2.gz YTHCRCVUWMFABT-LJQANCHMSA-N 1 2 365.880 3.746 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511075431 935284668 /nfs/dbraw/zinc/28/46/68/935284668.db2.gz YTHCRCVUWMFABT-LJQANCHMSA-N 1 2 365.880 3.746 20 30 FHEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)[nH]1 ZINC000277534055 935481701 /nfs/dbraw/zinc/48/17/01/935481701.db2.gz YOUJANCAEGIFIQ-LSDHHAIUSA-N 1 2 371.485 3.860 20 30 FHEDLO Cc1ccc(-c2cnc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000075620789 936013626 /nfs/dbraw/zinc/01/36/26/936013626.db2.gz DWXHAUUUWVMSPX-UHFFFAOYSA-N 1 2 372.472 3.840 20 30 FHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000046528820 936113769 /nfs/dbraw/zinc/11/37/69/936113769.db2.gz UJXYDRIPQZNKQV-UHFFFAOYSA-N 1 2 363.490 3.656 20 30 FHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000046528820 936113770 /nfs/dbraw/zinc/11/37/70/936113770.db2.gz UJXYDRIPQZNKQV-UHFFFAOYSA-N 1 2 363.490 3.656 20 30 FHEDLO Cn1cc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)c(C(F)(F)F)n1 ZINC000519123947 945145857 /nfs/dbraw/zinc/14/58/57/945145857.db2.gz JDCUBDHKEZZFBS-UHFFFAOYSA-N 1 2 371.256 3.766 20 30 FHEDLO CC[C@@H](C#N)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000127041672 938252311 /nfs/dbraw/zinc/25/23/11/938252311.db2.gz BRZWHBSJHHEKDG-HNNXBMFYSA-N 1 2 361.902 3.911 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@@H](c3ccccc3)C1)C2 ZINC000329278391 938315059 /nfs/dbraw/zinc/31/50/59/938315059.db2.gz MADGQIOQWJPYOI-MSOLQXFVSA-N 1 2 366.509 3.899 20 30 FHEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000329430774 938405272 /nfs/dbraw/zinc/40/52/72/938405272.db2.gz KILNRKPFODOHBU-PKOBYXMFSA-N 1 2 352.482 3.634 20 30 FHEDLO O=C(NC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329436355 938409838 /nfs/dbraw/zinc/40/98/38/938409838.db2.gz JWCCWWPGIBDLRE-AWEZNQCLSA-N 1 2 359.857 3.761 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c(C#N)c1C ZINC000128151362 938412229 /nfs/dbraw/zinc/41/22/29/938412229.db2.gz XEGVVPDAYRHVJX-KRWDZBQOSA-N 1 2 355.413 3.553 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c(C#N)c1C ZINC000128151362 938412232 /nfs/dbraw/zinc/41/22/32/938412232.db2.gz XEGVVPDAYRHVJX-KRWDZBQOSA-N 1 2 355.413 3.553 20 30 FHEDLO C=C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccccc1 ZINC000536159884 938476528 /nfs/dbraw/zinc/47/65/28/938476528.db2.gz GXRIAXUKSRXYBN-FQEVSTJZSA-N 1 2 363.505 3.732 20 30 FHEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278705565 938671695 /nfs/dbraw/zinc/67/16/95/938671695.db2.gz HQPXPCFRFVWJDP-UHFFFAOYSA-N 1 2 367.428 3.642 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000507385816 945206322 /nfs/dbraw/zinc/20/63/22/945206322.db2.gz LQCOBVBZYNKSJO-UHFFFAOYSA-N 1 2 364.474 3.886 20 30 FHEDLO CC(C)(C#N)c1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000562901757 938910228 /nfs/dbraw/zinc/91/02/28/938910228.db2.gz ZABKGRGHSLZUCW-UHFFFAOYSA-N 1 2 358.445 3.663 20 30 FHEDLO N#CCCC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000458800957 938941346 /nfs/dbraw/zinc/94/13/46/938941346.db2.gz MFSGKINCVROCBN-IBGZPJMESA-N 1 2 351.454 3.665 20 30 FHEDLO C=CCCCCCCNC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000376310291 940748518 /nfs/dbraw/zinc/74/85/18/940748518.db2.gz QHFIDIBCDSDBHQ-UHFFFAOYSA-N 1 2 350.532 3.543 20 30 FHEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc2ccccc21 ZINC000128492409 945364752 /nfs/dbraw/zinc/36/47/52/945364752.db2.gz BHRLHUSMZNROBI-UHFFFAOYSA-N 1 2 364.470 3.617 20 30 FHEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc2ccccc21 ZINC000128492409 945364760 /nfs/dbraw/zinc/36/47/60/945364760.db2.gz BHRLHUSMZNROBI-UHFFFAOYSA-N 1 2 364.470 3.617 20 30 FHEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(Cl)cc1 ZINC000330123103 945365544 /nfs/dbraw/zinc/36/55/44/945365544.db2.gz KPSQUENGFWMNDB-CLCXKQKWSA-N 1 2 366.889 3.627 20 30 FHEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(Cl)cc1 ZINC000330123103 945365558 /nfs/dbraw/zinc/36/55/58/945365558.db2.gz KPSQUENGFWMNDB-CLCXKQKWSA-N 1 2 366.889 3.627 20 30 FHEDLO Cc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(N(C)C)[nH+]1 ZINC000162397015 941028409 /nfs/dbraw/zinc/02/84/09/941028409.db2.gz PQGAGAQATHUYDJ-PKOBYXMFSA-N 1 2 363.465 3.760 20 30 FHEDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177017138 941093955 /nfs/dbraw/zinc/09/39/55/941093955.db2.gz DBTUGAHDWJICHN-UHFFFAOYSA-N 1 2 370.855 3.679 20 30 FHEDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177017138 941093957 /nfs/dbraw/zinc/09/39/57/941093957.db2.gz DBTUGAHDWJICHN-UHFFFAOYSA-N 1 2 370.855 3.679 20 30 FHEDLO NC(=[NH+]OCc1cc(-c2ccco2)on1)c1ccc(Br)cc1 ZINC000782948637 941322412 /nfs/dbraw/zinc/32/24/12/941322412.db2.gz NFSBZGGXJMLXKJ-UHFFFAOYSA-N 1 2 362.183 3.534 20 30 FHEDLO COC(=O)c1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(C#N)cc3)cs2)o1 ZINC000376860646 941451805 /nfs/dbraw/zinc/45/18/05/941451805.db2.gz XWNLXQBZSWETIH-GFCCVEGCSA-N 1 2 367.430 3.912 20 30 FHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)c(F)ccc1OCC)C2 ZINC001143493663 941661527 /nfs/dbraw/zinc/66/15/27/941661527.db2.gz LBWLGZSVQPEGKN-QRWLVFNGSA-N 1 2 367.436 3.690 20 30 FHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)c(F)ccc1OCC)C2 ZINC001143493663 941661530 /nfs/dbraw/zinc/66/15/30/941661530.db2.gz LBWLGZSVQPEGKN-QRWLVFNGSA-N 1 2 367.436 3.690 20 30 FHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000377708540 941917734 /nfs/dbraw/zinc/91/77/34/941917734.db2.gz SCACDBMNLFTWOD-HNNXBMFYSA-N 1 2 361.511 3.520 20 30 FHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCOC(C)(C)C1 ZINC000377708540 941917737 /nfs/dbraw/zinc/91/77/37/941917737.db2.gz SCACDBMNLFTWOD-HNNXBMFYSA-N 1 2 361.511 3.520 20 30 FHEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000728711921 941985237 /nfs/dbraw/zinc/98/52/37/941985237.db2.gz QKPVTBZERDXNRT-QRWLVFNGSA-N 1 2 364.424 3.729 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328707880 942001532 /nfs/dbraw/zinc/00/15/32/942001532.db2.gz ZQSYHNHYMWCTBN-KBPBESRZSA-N 1 2 361.511 3.833 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCOC[C@@H](C)C1 ZINC000328707880 942001539 /nfs/dbraw/zinc/00/15/39/942001539.db2.gz ZQSYHNHYMWCTBN-KBPBESRZSA-N 1 2 361.511 3.833 20 30 FHEDLO COC(=O)c1ccc(C[N@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000159060726 942273168 /nfs/dbraw/zinc/27/31/68/942273168.db2.gz PATIHKAFDQTVSW-UHFFFAOYSA-N 1 2 361.401 3.632 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000159060726 942273173 /nfs/dbraw/zinc/27/31/73/942273173.db2.gz PATIHKAFDQTVSW-UHFFFAOYSA-N 1 2 361.401 3.632 20 30 FHEDLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128431180 942302612 /nfs/dbraw/zinc/30/26/12/942302612.db2.gz GHYCHEQSTUPSKM-HNNXBMFYSA-N 1 2 368.458 3.771 20 30 FHEDLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128431180 942302617 /nfs/dbraw/zinc/30/26/17/942302617.db2.gz GHYCHEQSTUPSKM-HNNXBMFYSA-N 1 2 368.458 3.771 20 30 FHEDLO COc1ccc(-c2nnc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)o2)cc1 ZINC000502505907 942484151 /nfs/dbraw/zinc/48/41/51/942484151.db2.gz HNDZTIOGGDMDKR-UHFFFAOYSA-N 1 2 372.428 3.906 20 30 FHEDLO COc1ccc(-c2nnc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)o2)cc1 ZINC000502505907 942484152 /nfs/dbraw/zinc/48/41/52/942484152.db2.gz HNDZTIOGGDMDKR-UHFFFAOYSA-N 1 2 372.428 3.906 20 30 FHEDLO CO[C@@H](CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000513882265 942574513 /nfs/dbraw/zinc/57/45/13/942574513.db2.gz FKHKQFXPJNCJPF-NRFANRHFSA-N 1 2 369.896 3.717 20 30 FHEDLO CC(=O)N(c1nc(C[NH2+]CC2(CC#N)CC2)cs1)c1ccc(F)cc1 ZINC000430041877 942692069 /nfs/dbraw/zinc/69/20/69/942692069.db2.gz OPXOSIKISSSDCL-UHFFFAOYSA-N 1 2 358.442 3.750 20 30 FHEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000378480895 942809795 /nfs/dbraw/zinc/80/97/95/942809795.db2.gz HQOUXNNUCWUAAM-QGZVFWFLSA-N 1 2 359.271 3.700 20 30 FHEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000378480895 942809798 /nfs/dbraw/zinc/80/97/98/942809798.db2.gz HQOUXNNUCWUAAM-QGZVFWFLSA-N 1 2 359.271 3.700 20 30 FHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000434897947 943035847 /nfs/dbraw/zinc/03/58/47/943035847.db2.gz SOXCKIYMMJYOCI-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000434897947 943035855 /nfs/dbraw/zinc/03/58/55/943035855.db2.gz SOXCKIYMMJYOCI-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000183775192 943148315 /nfs/dbraw/zinc/14/83/15/943148315.db2.gz SWKHQAWNLRZVSM-OAHLLOKOSA-N 1 2 354.479 3.839 20 30 FHEDLO Cc1cn2cc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc2[nH+]1 ZINC000503463356 943199669 /nfs/dbraw/zinc/19/96/69/943199669.db2.gz CIOLXCKDCPKQSO-UHFFFAOYSA-N 1 2 357.417 3.836 20 30 FHEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000435329631 943333116 /nfs/dbraw/zinc/33/31/16/943333116.db2.gz XPTQSSIICQUSST-UHFFFAOYSA-N 1 2 364.836 3.751 20 30 FHEDLO C=CC[N@@H+](C/C(C)=C/c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000503913929 943418351 /nfs/dbraw/zinc/41/83/51/943418351.db2.gz WVEWBUJKWWLKRO-WSYSLRRZSA-N 1 2 373.440 3.784 20 30 FHEDLO C=CC[N@H+](C/C(C)=C/c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000503913929 943418355 /nfs/dbraw/zinc/41/83/55/943418355.db2.gz WVEWBUJKWWLKRO-WSYSLRRZSA-N 1 2 373.440 3.784 20 30 FHEDLO CC(=O)N(c1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cs1)c1ccc(F)cc1 ZINC000424209049 943775167 /nfs/dbraw/zinc/77/51/67/943775167.db2.gz YWSBYFLJACFOJH-DZGCQCFKSA-N 1 2 358.442 3.749 20 30 FHEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c(OC(F)F)c1 ZINC000437399521 943776420 /nfs/dbraw/zinc/77/64/20/943776420.db2.gz BUMHOFRRVUWHQI-QGZVFWFLSA-N 1 2 362.376 3.934 20 30 FHEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c(OC(F)F)c1 ZINC000437399521 943776422 /nfs/dbraw/zinc/77/64/22/943776422.db2.gz BUMHOFRRVUWHQI-QGZVFWFLSA-N 1 2 362.376 3.934 20 30 FHEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)nn1 ZINC000424297240 943825039 /nfs/dbraw/zinc/82/50/39/943825039.db2.gz PZXGAFWJCUHKDO-NSHDSACASA-N 1 2 361.243 3.824 20 30 FHEDLO C=CCn1cc(C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)nn1 ZINC000424298069 943826260 /nfs/dbraw/zinc/82/62/60/943826260.db2.gz RXHMWGCRSQOOFQ-OAHLLOKOSA-N 1 2 356.417 3.677 20 30 FHEDLO Cc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)c(N(C)C)[nH+]1 ZINC000162479608 943881377 /nfs/dbraw/zinc/88/13/77/943881377.db2.gz NJCZNPQLZOKIMI-UHFFFAOYSA-N 1 2 353.426 3.783 20 30 FHEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000660291022 943909256 /nfs/dbraw/zinc/90/92/56/943909256.db2.gz UFISDQYPNAUFJQ-FXAWDEMLSA-N 1 2 352.482 3.866 20 30 FHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437594017 943935955 /nfs/dbraw/zinc/93/59/55/943935955.db2.gz PBQQCBVTLZPILD-UHFFFAOYSA-N 1 2 352.388 3.640 20 30 FHEDLO N#CCCC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000563067120 943982058 /nfs/dbraw/zinc/98/20/58/943982058.db2.gz DKLVNISCSGXTQS-UHFFFAOYSA-N 1 2 354.479 3.764 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 ZINC000505154663 944082971 /nfs/dbraw/zinc/08/29/71/944082971.db2.gz KJGKCXUHJDQXGR-BHIFYINESA-N 1 2 365.521 3.809 20 30 FHEDLO C=CC[N@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(OC)cc1 ZINC000515743147 944163947 /nfs/dbraw/zinc/16/39/47/944163947.db2.gz IQSIQENRLWKNBL-UHFFFAOYSA-N 1 2 372.896 3.696 20 30 FHEDLO C=CC[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(OC)cc1 ZINC000515743147 944163950 /nfs/dbraw/zinc/16/39/50/944163950.db2.gz IQSIQENRLWKNBL-UHFFFAOYSA-N 1 2 372.896 3.696 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000278830678 944222906 /nfs/dbraw/zinc/22/29/06/944222906.db2.gz DBQIAZQAFDDFAT-WDEREUQCSA-N 1 2 374.432 3.544 20 30 FHEDLO Cc1ccccc1-n1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nn1 ZINC000517625773 944443013 /nfs/dbraw/zinc/44/30/13/944443013.db2.gz MJDUSMANVYDKSZ-UHFFFAOYSA-N 1 2 355.445 3.737 20 30 FHEDLO Cc1ccccc1-n1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nn1 ZINC000517625773 944443017 /nfs/dbraw/zinc/44/30/17/944443017.db2.gz MJDUSMANVYDKSZ-UHFFFAOYSA-N 1 2 355.445 3.737 20 30 FHEDLO Cc1nc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)sc1SCC#N ZINC000053650657 944530849 /nfs/dbraw/zinc/53/08/49/944530849.db2.gz UQUIPUJKWYMFGK-UHFFFAOYSA-N 1 2 355.448 3.505 20 30 FHEDLO N#CCCC1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000517738604 944549221 /nfs/dbraw/zinc/54/92/21/944549221.db2.gz WOAVZWAZPUCZPN-UHFFFAOYSA-N 1 2 367.453 3.510 20 30 FHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2sccc2Br)CC1 ZINC000517759437 944579309 /nfs/dbraw/zinc/57/93/09/944579309.db2.gz WYVQXGJGJBTHMS-UHFFFAOYSA-N 1 2 362.296 3.963 20 30 FHEDLO N#Cc1ccc(NC2CC2)c(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000518806156 944787277 /nfs/dbraw/zinc/78/72/77/944787277.db2.gz SKHNGFIBVUMHKX-UHFFFAOYSA-N 1 2 371.444 3.559 20 30 FHEDLO CC(C)(CC#N)CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425687524 944924432 /nfs/dbraw/zinc/92/44/32/944924432.db2.gz YXFCAUBTBYIQCG-UHFFFAOYSA-N 1 2 351.454 3.948 20 30 FHEDLO N#Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(Cl)c1 ZINC000426127388 944959632 /nfs/dbraw/zinc/95/96/32/944959632.db2.gz JZUFOOIKZPNVFB-UHFFFAOYSA-N 1 2 365.824 3.778 20 30 FHEDLO N#C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000505966726 945013788 /nfs/dbraw/zinc/01/37/88/945013788.db2.gz UWQSOSARUKNEIV-KRWDZBQOSA-N 1 2 370.334 3.886 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NC(C)C)Cc1cccs1 ZINC000025925919 945022301 /nfs/dbraw/zinc/02/23/01/945022301.db2.gz AJWGTIOSZKJNCT-UHFFFAOYSA-N 1 2 371.506 3.513 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)NC(C)C)Cc1cccs1 ZINC000025925919 945022310 /nfs/dbraw/zinc/02/23/10/945022310.db2.gz AJWGTIOSZKJNCT-UHFFFAOYSA-N 1 2 371.506 3.513 20 30 FHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000184372427 945052919 /nfs/dbraw/zinc/05/29/19/945052919.db2.gz WMKCOTCYFQQYSN-OAHLLOKOSA-N 1 2 371.531 3.617 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCSC3)n2)C1 ZINC000330131955 945370402 /nfs/dbraw/zinc/37/04/02/945370402.db2.gz QBKVYETYTZUJQJ-CHWSQXEVSA-N 1 2 354.545 3.597 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCSC3)n2)C1 ZINC000330131955 945370415 /nfs/dbraw/zinc/37/04/15/945370415.db2.gz QBKVYETYTZUJQJ-CHWSQXEVSA-N 1 2 354.545 3.597 20 30 FHEDLO COc1ccc2[nH+]cc(Cl)c(N3CCC4(CC3)CC(=O)C=CO4)c2c1 ZINC000896886045 945371080 /nfs/dbraw/zinc/37/10/80/945371080.db2.gz OQVAHYUMHWFVMD-UHFFFAOYSA-N 1 2 358.825 3.739 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330166405 945384197 /nfs/dbraw/zinc/38/41/97/945384197.db2.gz XZEIPNLXMZCWSC-DYESRHJHSA-N 1 2 354.450 3.698 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330166405 945384213 /nfs/dbraw/zinc/38/42/13/945384213.db2.gz XZEIPNLXMZCWSC-DYESRHJHSA-N 1 2 354.450 3.698 20 30 FHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330166406 945384634 /nfs/dbraw/zinc/38/46/34/945384634.db2.gz XZEIPNLXMZCWSC-LAUBAEHRSA-N 1 2 354.450 3.698 20 30 FHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330166406 945384645 /nfs/dbraw/zinc/38/46/45/945384645.db2.gz XZEIPNLXMZCWSC-LAUBAEHRSA-N 1 2 354.450 3.698 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@@]2(CCOC2)O1 ZINC000330168056 945384868 /nfs/dbraw/zinc/38/48/68/945384868.db2.gz ZPYIHVOTXNDFRF-YFVAEKQCSA-N 1 2 360.498 3.591 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@@]2(CCOC2)O1 ZINC000330168056 945384869 /nfs/dbraw/zinc/38/48/69/945384869.db2.gz ZPYIHVOTXNDFRF-YFVAEKQCSA-N 1 2 360.498 3.591 20 30 FHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000330189379 945394295 /nfs/dbraw/zinc/39/42/95/945394295.db2.gz LTHMDHCJQCSAMM-CVEARBPZSA-N 1 2 374.460 3.635 20 30 FHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000330189379 945394304 /nfs/dbraw/zinc/39/43/04/945394304.db2.gz LTHMDHCJQCSAMM-CVEARBPZSA-N 1 2 374.460 3.635 20 30 FHEDLO CC1(C)CC[C@H](CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000330188022 945394353 /nfs/dbraw/zinc/39/43/53/945394353.db2.gz KWPYPTQRPFRVLL-HZPDHXFCSA-N 1 2 352.482 3.557 20 30 FHEDLO Cc1cc(F)ccc1C1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000330216714 945406146 /nfs/dbraw/zinc/40/61/46/945406146.db2.gz NIGRSPZOVDKLOB-INIZCTEOSA-N 1 2 356.445 3.508 20 30 FHEDLO Cc1cc(F)ccc1C1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000330216714 945406152 /nfs/dbraw/zinc/40/61/52/945406152.db2.gz NIGRSPZOVDKLOB-INIZCTEOSA-N 1 2 356.445 3.508 20 30 FHEDLO Cc1cc(F)ccc1C1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000330216715 945406397 /nfs/dbraw/zinc/40/63/97/945406397.db2.gz NIGRSPZOVDKLOB-MRXNPFEDSA-N 1 2 356.445 3.508 20 30 FHEDLO Cc1cc(F)ccc1C1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000330216715 945406400 /nfs/dbraw/zinc/40/64/00/945406400.db2.gz NIGRSPZOVDKLOB-MRXNPFEDSA-N 1 2 356.445 3.508 20 30 FHEDLO CCO[C@@H]1C[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C12CCCCC2 ZINC000330255465 945427445 /nfs/dbraw/zinc/42/74/45/945427445.db2.gz PRQSQQOBISKESJ-IAGOWNOFSA-N 1 2 360.502 3.631 20 30 FHEDLO COc1cc2nc(C)sc2cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330261172 945431930 /nfs/dbraw/zinc/43/19/30/945431930.db2.gz UBGJJDWTJRJTSE-UHFFFAOYSA-N 1 2 371.466 3.762 20 30 FHEDLO Cc1[nH+]c2c(n1[C@@H]1CCN(CC(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330317812 945541042 /nfs/dbraw/zinc/54/10/42/945541042.db2.gz BXAUVGPSINOIIA-QGZVFWFLSA-N 1 2 369.513 3.500 20 30 FHEDLO CC(C)[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1F ZINC000519908846 945874338 /nfs/dbraw/zinc/87/43/38/945874338.db2.gz SYEPUANXUGKIKQ-UHFFFAOYSA-N 1 2 353.441 3.983 20 30 FHEDLO CC(C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1F ZINC000519908846 945874351 /nfs/dbraw/zinc/87/43/51/945874351.db2.gz SYEPUANXUGKIKQ-UHFFFAOYSA-N 1 2 353.441 3.983 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H](C)COC ZINC000661246143 945901589 /nfs/dbraw/zinc/90/15/89/945901589.db2.gz ICRVLXJAFHNLCD-LBPRGKRZSA-N 1 2 355.360 3.778 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H](C)COC ZINC000661246143 945901598 /nfs/dbraw/zinc/90/15/98/945901598.db2.gz ICRVLXJAFHNLCD-LBPRGKRZSA-N 1 2 355.360 3.778 20 30 FHEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2Br)o1)[C@H](C)COC ZINC000661247914 945913219 /nfs/dbraw/zinc/91/32/19/945913219.db2.gz RAGKTXQIXCRXGX-GFCCVEGCSA-N 1 2 366.259 3.522 20 30 FHEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2Br)o1)[C@H](C)COC ZINC000661247914 945913226 /nfs/dbraw/zinc/91/32/26/945913226.db2.gz RAGKTXQIXCRXGX-GFCCVEGCSA-N 1 2 366.259 3.522 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC#Cc2ccccc2)c(C)c1 ZINC000440819870 945920157 /nfs/dbraw/zinc/92/01/57/945920157.db2.gz MWWOELLSWIBUQP-QFIPXVFZSA-N 1 2 372.472 3.592 20 30 FHEDLO C=CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000661381357 946049758 /nfs/dbraw/zinc/04/97/58/946049758.db2.gz JIHYZRBFWQJWKK-OAHLLOKOSA-N 1 2 360.479 3.533 20 30 FHEDLO C=CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000661381357 946049771 /nfs/dbraw/zinc/04/97/71/946049771.db2.gz JIHYZRBFWQJWKK-OAHLLOKOSA-N 1 2 360.479 3.533 20 30 FHEDLO COc1ccc(CC(N)=[NH+]OCc2nc(-c3cccs3)oc2C)cc1 ZINC000125451690 946086920 /nfs/dbraw/zinc/08/69/20/946086920.db2.gz BEEMEACIYNNIKP-UHFFFAOYSA-N 1 2 357.435 3.752 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000441112260 946221383 /nfs/dbraw/zinc/22/13/83/946221383.db2.gz CPPQYTQYWYTANP-GMAHTHKFSA-N 1 2 361.489 3.840 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000441112260 946221388 /nfs/dbraw/zinc/22/13/88/946221388.db2.gz CPPQYTQYWYTANP-GMAHTHKFSA-N 1 2 361.489 3.840 20 30 FHEDLO Cn1cc(Br)cc1C[N@H+](C)CC#Cc1ccccc1Cl ZINC000441182975 946302967 /nfs/dbraw/zinc/30/29/67/946302967.db2.gz ZQQQBDHBVUNZQQ-UHFFFAOYSA-N 1 2 351.675 3.925 20 30 FHEDLO Cn1cc(Br)cc1C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441182975 946302973 /nfs/dbraw/zinc/30/29/73/946302973.db2.gz ZQQQBDHBVUNZQQ-UHFFFAOYSA-N 1 2 351.675 3.925 20 30 FHEDLO N#CC[C@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000475106692 946407894 /nfs/dbraw/zinc/40/78/94/946407894.db2.gz CKVIKZXOMUKEOB-LJQANCHMSA-N 1 2 374.444 3.988 20 30 FHEDLO Cc1cc(C)c(C#N)c(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000520340570 946437338 /nfs/dbraw/zinc/43/73/38/946437338.db2.gz PDMKJMFETMVQOP-HNNXBMFYSA-N 1 2 356.420 3.925 20 30 FHEDLO Cc1cc(C)c(C#N)c(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000520340570 946437343 /nfs/dbraw/zinc/43/73/43/946437343.db2.gz PDMKJMFETMVQOP-HNNXBMFYSA-N 1 2 356.420 3.925 20 30 FHEDLO CC(C)(C#N)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000475168275 946546158 /nfs/dbraw/zinc/54/61/58/946546158.db2.gz TZZTTWGMYXMJBY-UHFFFAOYSA-N 1 2 362.408 3.743 20 30 FHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428360844 946697337 /nfs/dbraw/zinc/69/73/37/946697337.db2.gz LJJDBVKAQAHJKW-JTQLQIEISA-N 1 2 354.351 3.924 20 30 FHEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328700396 946995006 /nfs/dbraw/zinc/99/50/06/946995006.db2.gz MRPZQMDCNSPDOA-OCCSQVGLSA-N 1 2 350.825 3.989 20 30 FHEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328700396 946995014 /nfs/dbraw/zinc/99/50/14/946995014.db2.gz MRPZQMDCNSPDOA-OCCSQVGLSA-N 1 2 350.825 3.989 20 30 FHEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc2c(c1)CCCC2 ZINC000328770305 947019497 /nfs/dbraw/zinc/01/94/97/947019497.db2.gz AAPLKXMPFHWDIJ-KXBFYZLASA-N 1 2 352.482 3.763 20 30 FHEDLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@H]1CCCC(=O)N1 ZINC000328821320 947038715 /nfs/dbraw/zinc/03/87/15/947038715.db2.gz RDBTWEWTDACCKQ-GOEBONIOSA-N 1 2 367.852 3.909 20 30 FHEDLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@H]1CCCC(=O)N1 ZINC000328821320 947038718 /nfs/dbraw/zinc/03/87/18/947038718.db2.gz RDBTWEWTDACCKQ-GOEBONIOSA-N 1 2 367.852 3.909 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000328781561 947044803 /nfs/dbraw/zinc/04/48/03/947044803.db2.gz FVJYCXQUAGKUQY-CZUORRHYSA-N 1 2 372.444 3.565 20 30 FHEDLO O[C@@H](C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1)C(F)(F)F ZINC000093766635 947151610 /nfs/dbraw/zinc/15/16/10/947151610.db2.gz VNAJVQJHTYUKFM-ZDUSSCGKSA-N 1 2 359.285 3.980 20 30 FHEDLO C=CCC1(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@@H]2C)CCC1 ZINC000441468308 947733722 /nfs/dbraw/zinc/73/37/22/947733722.db2.gz QLLHVCLPRNNBOO-SFHVURJKSA-N 1 2 356.510 3.864 20 30 FHEDLO C=CCC1(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@@H]2C)CCC1 ZINC000441468308 947733727 /nfs/dbraw/zinc/73/37/27/947733727.db2.gz QLLHVCLPRNNBOO-SFHVURJKSA-N 1 2 356.510 3.864 20 30 FHEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161403 948107242 /nfs/dbraw/zinc/10/72/42/948107242.db2.gz YDAJOCWZTNNUJO-IRXDYDNUSA-N 1 2 363.864 3.815 20 30 FHEDLO CC[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161403 948107247 /nfs/dbraw/zinc/10/72/47/948107247.db2.gz YDAJOCWZTNNUJO-IRXDYDNUSA-N 1 2 363.864 3.815 20 30 FHEDLO N#Cc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)ccc1OC(F)(F)F ZINC000441523379 948214849 /nfs/dbraw/zinc/21/48/49/948214849.db2.gz TWFRTYRPLIMGPR-UHFFFAOYSA-N 1 2 372.306 3.895 20 30 FHEDLO C[C@H](c1cccc(NC(=O)CCc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000520547421 948262511 /nfs/dbraw/zinc/26/25/11/948262511.db2.gz HMFVVVAUFZXNJS-QGZVFWFLSA-N 1 2 363.461 3.523 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285460595 948392785 /nfs/dbraw/zinc/39/27/85/948392785.db2.gz ANADVPXOOLULTC-CHWSQXEVSA-N 1 2 365.449 3.675 20 30 FHEDLO N#Cc1ccccc1/C=C/C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279044729 948429622 /nfs/dbraw/zinc/42/96/22/948429622.db2.gz YHBQJDCXFFLHEG-CMDGGOBGSA-N 1 2 360.461 3.510 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000512181288 948699269 /nfs/dbraw/zinc/69/92/69/948699269.db2.gz PNLJWHPZPASUGL-KRWDZBQOSA-N 1 2 360.498 3.545 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000512181288 948699276 /nfs/dbraw/zinc/69/92/76/948699276.db2.gz PNLJWHPZPASUGL-KRWDZBQOSA-N 1 2 360.498 3.545 20 30 FHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(F)c(C#N)c2)C[C@H](C)O1 ZINC000279298251 948722510 /nfs/dbraw/zinc/72/25/10/948722510.db2.gz YZTSJUYUVKRNJL-GJZGRUSLSA-N 1 2 367.424 3.559 20 30 FHEDLO CC(C)(C)C1CCC(C#N)(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602138365 567934699 /nfs/dbraw/zinc/93/46/99/567934699.db2.gz HZOZTIHNYOFOPF-UUCFBXCCSA-N 1 2 370.419 3.991 20 30 FHEDLO CC(C)(C)C1CCC(C#N)(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602138368 567934720 /nfs/dbraw/zinc/93/47/20/567934720.db2.gz HZOZTIHNYOFOPF-XOYHFGRZSA-N 1 2 370.419 3.991 20 30 FHEDLO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3)no2)c(C(F)(F)F)c1 ZINC000568148633 567946827 /nfs/dbraw/zinc/94/68/27/567946827.db2.gz FMZDVQXQCDCTMW-UHFFFAOYSA-N 1 2 358.323 3.917 20 30 FHEDLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000602779944 568038759 /nfs/dbraw/zinc/03/87/59/568038759.db2.gz CRLCINHMLFZELO-SJORKVTESA-N 1 2 355.463 3.592 20 30 FHEDLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000602779944 568038761 /nfs/dbraw/zinc/03/87/61/568038761.db2.gz CRLCINHMLFZELO-SJORKVTESA-N 1 2 355.463 3.592 20 30 FHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000568455394 568039796 /nfs/dbraw/zinc/03/97/96/568039796.db2.gz JITTTYZHXXTRLX-CYBMUJFWSA-N 1 2 369.425 3.583 20 30 FHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000568455394 568039798 /nfs/dbraw/zinc/03/97/98/568039798.db2.gz JITTTYZHXXTRLX-CYBMUJFWSA-N 1 2 369.425 3.583 20 30 FHEDLO COc1cc(NC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)cc(OC)c1 ZINC000085870227 568060916 /nfs/dbraw/zinc/06/09/16/568060916.db2.gz GTYCOKAYCVHZRH-UHFFFAOYSA-N 1 2 369.440 3.791 20 30 FHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1 ZINC000481790107 568124723 /nfs/dbraw/zinc/12/47/23/568124723.db2.gz RJRJVOYBBUQCAB-IBGZPJMESA-N 1 2 351.837 3.527 20 30 FHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1 ZINC000481790107 568124724 /nfs/dbraw/zinc/12/47/24/568124724.db2.gz RJRJVOYBBUQCAB-IBGZPJMESA-N 1 2 351.837 3.527 20 30 FHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128709233 568193764 /nfs/dbraw/zinc/19/37/64/568193764.db2.gz BSJHKYLCZGHGRP-ZBFHGGJFSA-N 1 2 369.852 3.692 20 30 FHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128709233 568193765 /nfs/dbraw/zinc/19/37/65/568193765.db2.gz BSJHKYLCZGHGRP-ZBFHGGJFSA-N 1 2 369.852 3.692 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604599404 568322859 /nfs/dbraw/zinc/32/28/59/568322859.db2.gz KURKHCLAEGMVLR-UHFFFAOYSA-N 1 2 360.461 3.813 20 30 FHEDLO C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)Cn1cc[nH+]c1 ZINC000181986473 568341857 /nfs/dbraw/zinc/34/18/57/568341857.db2.gz MYGXTQAPPLMTRW-INIZCTEOSA-N 1 2 360.417 3.613 20 30 FHEDLO CCCCn1c(SCc2ccc(C#N)cn2)nnc1[C@@H](CC)[NH+](C)C ZINC000570225368 568463428 /nfs/dbraw/zinc/46/34/28/568463428.db2.gz OGHOWEJNBMMTCM-MRXNPFEDSA-N 1 2 358.515 3.650 20 30 FHEDLO Cc1cn2cc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc2[nH+]1 ZINC000531456860 568526525 /nfs/dbraw/zinc/52/65/25/568526525.db2.gz UIZSDWFEVNMZSZ-OALUTQOASA-N 1 2 359.433 3.946 20 30 FHEDLO Clc1cccc(N2CCCC2)c1C=[NH+]Nc1cccc(-c2nn[nH]n2)c1 ZINC000826353208 608110556 /nfs/dbraw/zinc/11/05/56/608110556.db2.gz GGUBCFZDMCCXSN-UHFFFAOYSA-N 1 2 367.844 3.566 20 30 FHEDLO C=CC[NH+]1CCN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001165034001 721872069 /nfs/dbraw/zinc/87/20/69/721872069.db2.gz BLUNUNINYZIAIL-UHFFFAOYSA-N 1 2 364.827 3.650 20 30 FHEDLO CC1CC[NH+](Cc2csc(NC(=O)CCc3ccc(C#N)cc3)n2)CC1 ZINC000014527977 927805918 /nfs/dbraw/zinc/80/59/18/927805918.db2.gz IUUYLUIBYCKNMX-UHFFFAOYSA-N 1 2 368.506 3.818 20 30 FHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000471145531 927891232 /nfs/dbraw/zinc/89/12/32/927891232.db2.gz NPTUNSBCFCKIKJ-JOCHJYFZSA-N 1 2 358.445 3.724 20 30 FHEDLO C#CC[N@@H+](CN1C[C@H](c2ccccc2C)CC1=O)[C@H]1CCc2ccccc21 ZINC000728195148 928054427 /nfs/dbraw/zinc/05/44/27/928054427.db2.gz FIWOLQPRUJGRAH-OFNKIYASSA-N 1 2 358.485 3.891 20 30 FHEDLO C#CC[N@H+](CN1C[C@H](c2ccccc2C)CC1=O)[C@H]1CCc2ccccc21 ZINC000728195148 928054444 /nfs/dbraw/zinc/05/44/44/928054444.db2.gz FIWOLQPRUJGRAH-OFNKIYASSA-N 1 2 358.485 3.891 20 30 FHEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000430219269 928252715 /nfs/dbraw/zinc/25/27/15/928252715.db2.gz OJJQPCIKCALELH-SCLBCKFNSA-N 1 2 363.383 3.878 20 30 FHEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000430219269 928252720 /nfs/dbraw/zinc/25/27/20/928252720.db2.gz OJJQPCIKCALELH-SCLBCKFNSA-N 1 2 363.383 3.878 20 30 FHEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(Cl)c1OC ZINC000548791606 937288276 /nfs/dbraw/zinc/28/82/76/937288276.db2.gz BRPKOONYGVAHBY-UHFFFAOYSA-N 1 2 371.868 3.810 20 30 FHEDLO C=C(C)[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000275063053 929390841 /nfs/dbraw/zinc/39/08/41/929390841.db2.gz NQCSJASHSLFDFO-KRWDZBQOSA-N 1 2 360.408 3.894 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000610244840 929546518 /nfs/dbraw/zinc/54/65/18/929546518.db2.gz XWFROMHQYGGGAM-AKCHCHLHSA-N 1 2 370.522 3.876 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000610244840 929546524 /nfs/dbraw/zinc/54/65/24/929546524.db2.gz XWFROMHQYGGGAM-AKCHCHLHSA-N 1 2 370.522 3.876 20 30 FHEDLO Cc1c(C(=O)/C=C\c2cccc3[nH+]ccn32)nnn1-c1ccc(Cl)cc1 ZINC000255126765 929673977 /nfs/dbraw/zinc/67/39/77/929673977.db2.gz MXMZEEGKXWWKQL-KTKRTIGZSA-N 1 2 363.808 3.773 20 30 FHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000610318251 929880302 /nfs/dbraw/zinc/88/03/02/929880302.db2.gz XIGZSBGMCQTOLD-LJQANCHMSA-N 1 2 359.433 3.592 20 30 FHEDLO C=CC[N@@H+](CC(=O)N(Cc1ccc(OC)cc1)C1CC1)Cc1cccs1 ZINC000050274376 930775920 /nfs/dbraw/zinc/77/59/20/930775920.db2.gz HISAPDAOIROGSI-UHFFFAOYSA-N 1 2 370.518 3.936 20 30 FHEDLO C=CC[N@H+](CC(=O)N(Cc1ccc(OC)cc1)C1CC1)Cc1cccs1 ZINC000050274376 930775925 /nfs/dbraw/zinc/77/59/25/930775925.db2.gz HISAPDAOIROGSI-UHFFFAOYSA-N 1 2 370.518 3.936 20 30 FHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CCN1Cc1ccc(C#N)s1 ZINC000579728373 930884326 /nfs/dbraw/zinc/88/43/26/930884326.db2.gz JQXVTHDHCOGKKM-UHFFFAOYSA-N 1 2 356.520 3.649 20 30 FHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CCN1Cc1ccc(C#N)s1 ZINC000579728373 930884335 /nfs/dbraw/zinc/88/43/35/930884335.db2.gz JQXVTHDHCOGKKM-UHFFFAOYSA-N 1 2 356.520 3.649 20 30 FHEDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(C#N)c(Cl)c3)[nH+]c12 ZINC000610455593 931079058 /nfs/dbraw/zinc/07/90/58/931079058.db2.gz ZTXWMQGPUOPRCH-UHFFFAOYSA-N 1 2 353.813 3.532 20 30 FHEDLO N#Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1Cl ZINC000580840365 931255330 /nfs/dbraw/zinc/25/53/30/931255330.db2.gz ATXMZHOQLGWIFZ-WKILWMFISA-N 1 2 354.841 3.760 20 30 FHEDLO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000328782974 932049252 /nfs/dbraw/zinc/04/92/52/932049252.db2.gz NIDJUWICNORFKN-PIKUFOSFSA-N 1 2 356.514 3.728 20 30 FHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c(C#N)c1C ZINC000610542549 932734895 /nfs/dbraw/zinc/73/48/95/932734895.db2.gz PKHNMMRAIYGSOO-QGZVFWFLSA-N 1 2 355.463 3.718 20 30 FHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c(C#N)c1C ZINC000610542549 932734900 /nfs/dbraw/zinc/73/49/00/932734900.db2.gz PKHNMMRAIYGSOO-QGZVFWFLSA-N 1 2 355.463 3.718 20 30 FHEDLO COc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143399718 932779292 /nfs/dbraw/zinc/77/92/92/932779292.db2.gz CEMLUIWGYJSUMM-INIZCTEOSA-N 1 2 358.388 3.888 20 30 FHEDLO COc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143399718 932779301 /nfs/dbraw/zinc/77/93/01/932779301.db2.gz CEMLUIWGYJSUMM-INIZCTEOSA-N 1 2 358.388 3.888 20 30 FHEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566093 933082126 /nfs/dbraw/zinc/08/21/26/933082126.db2.gz FYDKGHBCATUDKY-MGPUTAFESA-N 1 2 368.412 3.677 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(OC)cc(OC)cc1OC ZINC000510646114 933343898 /nfs/dbraw/zinc/34/38/98/933343898.db2.gz GMLBYCHFPSRHKQ-UHFFFAOYSA-N 1 2 357.450 3.909 20 30 FHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1c(OC)cc(OC)cc1OC ZINC000510646114 933343908 /nfs/dbraw/zinc/34/39/08/933343908.db2.gz GMLBYCHFPSRHKQ-UHFFFAOYSA-N 1 2 357.450 3.909 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(F)c1 ZINC000548423932 933605250 /nfs/dbraw/zinc/60/52/50/933605250.db2.gz ZFOMQGAYYWJBMD-QUCCMNQESA-N 1 2 352.409 3.884 20 30 FHEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(F)c1 ZINC000548423932 933605257 /nfs/dbraw/zinc/60/52/57/933605257.db2.gz ZFOMQGAYYWJBMD-QUCCMNQESA-N 1 2 352.409 3.884 20 30 FHEDLO N#Cc1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)ccc1F ZINC000611574986 935248803 /nfs/dbraw/zinc/24/88/03/935248803.db2.gz ADGSQLDVJQKVQY-KRWDZBQOSA-N 1 2 352.331 3.623 20 30 FHEDLO N#Cc1cc(C[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)ccc1F ZINC000611574986 935248806 /nfs/dbraw/zinc/24/88/06/935248806.db2.gz ADGSQLDVJQKVQY-KRWDZBQOSA-N 1 2 352.331 3.623 20 30 FHEDLO N#Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)ccc1F ZINC000611574990 935248835 /nfs/dbraw/zinc/24/88/35/935248835.db2.gz ADGSQLDVJQKVQY-QGZVFWFLSA-N 1 2 352.331 3.623 20 30 FHEDLO N#Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)ccc1F ZINC000611574990 935248837 /nfs/dbraw/zinc/24/88/37/935248837.db2.gz ADGSQLDVJQKVQY-QGZVFWFLSA-N 1 2 352.331 3.623 20 30 FHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000507276328 945090469 /nfs/dbraw/zinc/09/04/69/945090469.db2.gz GHXMSPFEDYBNNP-UHFFFAOYSA-N 1 2 362.408 3.675 20 30 FHEDLO C#CCCCC(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000277510784 935388572 /nfs/dbraw/zinc/38/85/72/935388572.db2.gz NUYULWQIQZQMJL-UHFFFAOYSA-N 1 2 353.466 3.504 20 30 FHEDLO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1cc(C#N)n(C)c1 ZINC000478562205 935646736 /nfs/dbraw/zinc/64/67/36/935646736.db2.gz OMYNXPXQPLPYOU-UHFFFAOYSA-N 1 2 355.445 3.637 20 30 FHEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127664715 935715880 /nfs/dbraw/zinc/71/58/80/935715880.db2.gz UBNBQKMIEJZINQ-LJQANCHMSA-N 1 2 374.387 3.612 20 30 FHEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127664715 935715888 /nfs/dbraw/zinc/71/58/88/935715888.db2.gz UBNBQKMIEJZINQ-LJQANCHMSA-N 1 2 374.387 3.612 20 30 FHEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000127820464 935816950 /nfs/dbraw/zinc/81/69/50/935816950.db2.gz HFXQTKWZEFSQPZ-CQSZACIVSA-N 1 2 368.506 3.915 20 30 FHEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000127820464 935816954 /nfs/dbraw/zinc/81/69/54/935816954.db2.gz HFXQTKWZEFSQPZ-CQSZACIVSA-N 1 2 368.506 3.915 20 30 FHEDLO Cc1ccc(NCc2cc[nH+]c(N)c2)cc1NC(=O)c1cccc(C#N)c1 ZINC001167617007 936123586 /nfs/dbraw/zinc/12/35/86/936123586.db2.gz DYMVNRDXFQIQMF-UHFFFAOYSA-N 1 2 357.417 3.708 20 30 FHEDLO C=CCN1CC[C@@H]([NH+]2CCC(c3c(Cl)cccc3Cl)CC2)C1=O ZINC000583657286 938345322 /nfs/dbraw/zinc/34/53/22/938345322.db2.gz GTXHHGNHTUHXNQ-MRXNPFEDSA-N 1 2 353.293 3.960 20 30 FHEDLO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246470322 938364392 /nfs/dbraw/zinc/36/43/92/938364392.db2.gz JKWUUTSKLDOOGO-DLBZAZTESA-N 1 2 353.869 3.832 20 30 FHEDLO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246470322 938364394 /nfs/dbraw/zinc/36/43/94/938364394.db2.gz JKWUUTSKLDOOGO-DLBZAZTESA-N 1 2 353.869 3.832 20 30 FHEDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080937294 938708400 /nfs/dbraw/zinc/70/84/00/938708400.db2.gz CZEWICNHGDAABE-UZLBHIALSA-N 1 2 350.422 3.538 20 30 FHEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc(C(F)(F)F)c1 ZINC001143454705 938803856 /nfs/dbraw/zinc/80/38/56/938803856.db2.gz IGZXIGXIRNJBAQ-UHFFFAOYSA-N 1 2 360.383 3.603 20 30 FHEDLO N#Cc1ccc(C(F)(F)F)nc1NC1CC[NH+](Cc2cscn2)CC1 ZINC000364231977 939915177 /nfs/dbraw/zinc/91/51/77/939915177.db2.gz SDLRANVWAAUGHN-UHFFFAOYSA-N 1 2 367.400 3.505 20 30 FHEDLO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)cc1 ZINC000506041730 945282044 /nfs/dbraw/zinc/28/20/44/945282044.db2.gz LLBRRGKFBGHFJS-UHFFFAOYSA-N 1 2 355.463 3.722 20 30 FHEDLO C=CCC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000426587985 945290156 /nfs/dbraw/zinc/29/01/56/945290156.db2.gz UXFLSSOSLDZPGB-HSZRJFAPSA-N 1 2 373.500 3.952 20 30 FHEDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000179868242 940039499 /nfs/dbraw/zinc/03/94/99/940039499.db2.gz GTSRDVIIZMJTBQ-UHFFFAOYSA-N 1 2 373.460 3.653 20 30 FHEDLO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)o2)c([N+](=O)[O-])c1 ZINC000612406471 940046253 /nfs/dbraw/zinc/04/62/53/940046253.db2.gz MWIRQUCTSXHVPT-IBGZPJMESA-N 1 2 355.394 3.989 20 30 FHEDLO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@](C)(C#N)C3)o2)c([N+](=O)[O-])c1 ZINC000612406471 940046257 /nfs/dbraw/zinc/04/62/57/940046257.db2.gz MWIRQUCTSXHVPT-IBGZPJMESA-N 1 2 355.394 3.989 20 30 FHEDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OCc1cccnc1 ZINC000612406223 940051251 /nfs/dbraw/zinc/05/12/51/940051251.db2.gz JVFZFSHVLMRIEM-NRFANRHFSA-N 1 2 351.450 3.795 20 30 FHEDLO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OCc1cccnc1 ZINC000612406223 940051255 /nfs/dbraw/zinc/05/12/55/940051255.db2.gz JVFZFSHVLMRIEM-NRFANRHFSA-N 1 2 351.450 3.795 20 30 FHEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cc(Cl)cc(Cl)c1 ZINC000053116430 940259173 /nfs/dbraw/zinc/25/91/73/940259173.db2.gz CYKUCRWETCDJFH-UHFFFAOYSA-N 1 2 354.262 3.997 20 30 FHEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cc(Cl)cc(Cl)c1 ZINC000053116430 940259175 /nfs/dbraw/zinc/25/91/75/940259175.db2.gz CYKUCRWETCDJFH-UHFFFAOYSA-N 1 2 354.262 3.997 20 30 FHEDLO COc1ccc(CC(N)=[NH+]O[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000177671810 940344277 /nfs/dbraw/zinc/34/42/77/940344277.db2.gz NHAJCAXPIHQIFP-AWEZNQCLSA-N 1 2 351.406 3.943 20 30 FHEDLO Cc1cccn2cc(CC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)[nH+]c12 ZINC000066394032 940477707 /nfs/dbraw/zinc/47/77/07/940477707.db2.gz VEHYOXXGZLKXTP-OAHLLOKOSA-N 1 2 373.243 3.873 20 30 FHEDLO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1c(F)cccc1Cl ZINC000176806453 941078402 /nfs/dbraw/zinc/07/84/02/941078402.db2.gz YSBRMXVGTKWPOK-YGRLFVJLSA-N 1 2 363.845 3.868 20 30 FHEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000613539831 941102568 /nfs/dbraw/zinc/10/25/68/941102568.db2.gz PAYXQWYCIHVJKV-UHFFFAOYSA-N 1 2 356.857 3.708 20 30 FHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000376739321 941400376 /nfs/dbraw/zinc/40/03/76/941400376.db2.gz YAXJKPNDRORAOV-UHFFFAOYSA-N 1 2 362.296 3.963 20 30 FHEDLO C=CCCCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472765312 941715498 /nfs/dbraw/zinc/71/54/98/941715498.db2.gz DNSCDZRFXLSCEF-WMZOPIPTSA-N 1 2 369.431 3.895 20 30 FHEDLO C=CCCCCNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472765312 941715502 /nfs/dbraw/zinc/71/55/02/941715502.db2.gz DNSCDZRFXLSCEF-WMZOPIPTSA-N 1 2 369.431 3.895 20 30 FHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000377492410 941766530 /nfs/dbraw/zinc/76/65/30/941766530.db2.gz VESHWBXGZFFJEU-UHFFFAOYSA-N 1 2 356.495 3.506 20 30 FHEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000616817089 941834727 /nfs/dbraw/zinc/83/47/27/941834727.db2.gz XKIWKBCQFKUVDD-NRFANRHFSA-N 1 2 350.462 3.768 20 30 FHEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000616817089 941834731 /nfs/dbraw/zinc/83/47/31/941834731.db2.gz XKIWKBCQFKUVDD-NRFANRHFSA-N 1 2 350.462 3.768 20 30 FHEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1Cl ZINC000513310184 941839211 /nfs/dbraw/zinc/83/92/11/941839211.db2.gz MFSYRZCYDGZPOQ-UHFFFAOYSA-N 1 2 359.832 3.682 20 30 FHEDLO Cc1cn(C[N@@H+](C)Cc2cccc(C#N)c2)c(=O)n1-c1ccccc1Cl ZINC000728707256 941902180 /nfs/dbraw/zinc/90/21/80/941902180.db2.gz CRHKWJKHJNNYBD-UHFFFAOYSA-N 1 2 366.852 3.562 20 30 FHEDLO Cc1cn(C[N@H+](C)Cc2cccc(C#N)c2)c(=O)n1-c1ccccc1Cl ZINC000728707256 941902183 /nfs/dbraw/zinc/90/21/83/941902183.db2.gz CRHKWJKHJNNYBD-UHFFFAOYSA-N 1 2 366.852 3.562 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000513415758 941912933 /nfs/dbraw/zinc/91/29/33/941912933.db2.gz SUXJVKMWRGDEQS-MRXNPFEDSA-N 1 2 351.425 3.525 20 30 FHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420947955 942271108 /nfs/dbraw/zinc/27/11/08/942271108.db2.gz NLZTUJJODURQPD-GFCCVEGCSA-N 1 2 359.417 3.840 20 30 FHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420947955 942271112 /nfs/dbraw/zinc/27/11/12/942271112.db2.gz NLZTUJJODURQPD-GFCCVEGCSA-N 1 2 359.417 3.840 20 30 FHEDLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000419846093 942419390 /nfs/dbraw/zinc/41/93/90/942419390.db2.gz RASJLSDNWSETDE-GOSISDBHSA-N 1 2 374.893 3.782 20 30 FHEDLO C[C@@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1cccs1 ZINC000502527252 942500362 /nfs/dbraw/zinc/50/03/62/942500362.db2.gz FUQGDEIAZGVPMN-OAHLLOKOSA-N 1 2 351.475 3.586 20 30 FHEDLO C[C@@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1cccs1 ZINC000502527252 942500364 /nfs/dbraw/zinc/50/03/64/942500364.db2.gz FUQGDEIAZGVPMN-OAHLLOKOSA-N 1 2 351.475 3.586 20 30 FHEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000513996677 942657447 /nfs/dbraw/zinc/65/74/47/942657447.db2.gz KTJAORJCZJQBEH-LJQANCHMSA-N 1 2 356.853 3.692 20 30 FHEDLO N#Cc1ccnc(N2CC[NH+](CCc3cccc(Cl)c3Cl)CC2)c1 ZINC000434547096 942746847 /nfs/dbraw/zinc/74/68/47/942746847.db2.gz KUAPPNAJJJAJTC-UHFFFAOYSA-N 1 2 361.276 3.625 20 30 FHEDLO C=C[C@@H](CC(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1)c1ccccc1 ZINC000505558125 943026582 /nfs/dbraw/zinc/02/65/82/943026582.db2.gz PDFLPYYTPRYXPW-PXNSSMCTSA-N 1 2 350.462 3.528 20 30 FHEDLO C=CCn1cccc1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435332125 943335015 /nfs/dbraw/zinc/33/50/15/943335015.db2.gz CUCWNGDDOXGGAV-UHFFFAOYSA-N 1 2 368.868 3.867 20 30 FHEDLO C=CCOc1ccccc1C[N@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000505665551 943335544 /nfs/dbraw/zinc/33/55/44/943335544.db2.gz WNSAPFBBLSSFHZ-UHFFFAOYSA-N 1 2 356.441 3.529 20 30 FHEDLO C=CCOc1ccccc1C[N@@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000505665551 943335547 /nfs/dbraw/zinc/33/55/47/943335547.db2.gz WNSAPFBBLSSFHZ-UHFFFAOYSA-N 1 2 356.441 3.529 20 30 FHEDLO CC(=O)N(c1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cs1)c1ccc(C)cc1 ZINC000424197664 943782809 /nfs/dbraw/zinc/78/28/09/943782809.db2.gz OILNHEFLHLJALC-JKSUJKDBSA-N 1 2 354.479 3.918 20 30 FHEDLO C=CCn1cc(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)nn1 ZINC000424300228 943827023 /nfs/dbraw/zinc/82/70/23/943827023.db2.gz XDESXTUBQUSZSI-CQSZACIVSA-N 1 2 365.300 3.553 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(-c4ccccn4)c3)CC2)cc1 ZINC000506098908 944027523 /nfs/dbraw/zinc/02/75/23/944027523.db2.gz LVGUDNQXXXPTDL-UHFFFAOYSA-N 1 2 368.484 3.938 20 30 FHEDLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000515775734 944199203 /nfs/dbraw/zinc/19/92/03/944199203.db2.gz WCRWDEHPCQTRFF-UHFFFAOYSA-N 1 2 358.445 3.885 20 30 FHEDLO CCCCCc1nnc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425534948 944274624 /nfs/dbraw/zinc/27/46/24/944274624.db2.gz MSXHXQNCILSPRS-AWEZNQCLSA-N 1 2 371.510 3.774 20 30 FHEDLO CCCCCc1nnc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425534948 944274632 /nfs/dbraw/zinc/27/46/32/944274632.db2.gz MSXHXQNCILSPRS-AWEZNQCLSA-N 1 2 371.510 3.774 20 30 FHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)cc(OCC)cc1F)C2 ZINC001143574851 944440250 /nfs/dbraw/zinc/44/02/50/944440250.db2.gz KQIPYWIDMCLCPQ-OXQOHEQNSA-N 1 2 367.436 3.690 20 30 FHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)cc(OCC)cc1F)C2 ZINC001143574851 944440259 /nfs/dbraw/zinc/44/02/59/944440259.db2.gz KQIPYWIDMCLCPQ-OXQOHEQNSA-N 1 2 367.436 3.690 20 30 FHEDLO CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc(C#N)c(Cl)c1 ZINC000500388903 944731354 /nfs/dbraw/zinc/73/13/54/944731354.db2.gz CLTCZMFRTNZSAY-RHSMWYFYSA-N 1 2 368.868 3.732 20 30 FHEDLO C=CCc1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc(OC)c1O ZINC000506942526 944762287 /nfs/dbraw/zinc/76/22/87/944762287.db2.gz JJKLCULMEKFNBO-UHFFFAOYSA-N 1 2 374.868 3.853 20 30 FHEDLO C=CCc1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc(OC)c1O ZINC000506942526 944762292 /nfs/dbraw/zinc/76/22/92/944762292.db2.gz JJKLCULMEKFNBO-UHFFFAOYSA-N 1 2 374.868 3.853 20 30 FHEDLO N#C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000505966727 945014204 /nfs/dbraw/zinc/01/42/04/945014204.db2.gz UWQSOSARUKNEIV-QGZVFWFLSA-N 1 2 370.334 3.886 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1 ZINC000330161153 945382214 /nfs/dbraw/zinc/38/22/14/945382214.db2.gz SSMACMMUJUOIPU-LRQRDZAKSA-N 1 2 360.498 3.536 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1 ZINC000330161153 945382223 /nfs/dbraw/zinc/38/22/23/945382223.db2.gz SSMACMMUJUOIPU-LRQRDZAKSA-N 1 2 360.498 3.536 20 30 FHEDLO CC(C)[C@@H]1N(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC12CCC2 ZINC000330178016 945388345 /nfs/dbraw/zinc/38/83/45/945388345.db2.gz DIHRRFFFXPVHRM-YJBOKZPZSA-N 1 2 358.530 3.920 20 30 FHEDLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330185147 945392900 /nfs/dbraw/zinc/39/29/00/945392900.db2.gz IYXFFODSVQVYHR-ABSDTBQOSA-N 1 2 352.482 3.661 20 30 FHEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330201393 945400563 /nfs/dbraw/zinc/40/05/63/945400563.db2.gz XRZYFQRKVXFAAK-WBVHZDCISA-N 1 2 366.465 3.538 20 30 FHEDLO CC1(C)CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000330235701 945416702 /nfs/dbraw/zinc/41/67/02/945416702.db2.gz HAARFDZSCLZHDB-UHFFFAOYSA-N 1 2 354.454 3.543 20 30 FHEDLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1nc2c(s1)CCCC2 ZINC000330262345 945431490 /nfs/dbraw/zinc/43/14/90/945431490.db2.gz UWKSMDAUOQVGJF-UHFFFAOYSA-N 1 2 356.495 3.885 20 30 FHEDLO Cc1cnc(C2CC[NH+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)s1 ZINC000330324805 945565062 /nfs/dbraw/zinc/56/50/62/945565062.db2.gz ITYSOJUGQMEIRV-AWEZNQCLSA-N 1 2 361.515 3.658 20 30 FHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000281242808 945573195 /nfs/dbraw/zinc/57/31/95/945573195.db2.gz PPLZFOBUDOTQKK-QGZVFWFLSA-N 1 2 368.387 3.784 20 30 FHEDLO CCc1csc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000330332587 945600645 /nfs/dbraw/zinc/60/06/45/945600645.db2.gz PBJVAGZDCYTQQZ-UHFFFAOYSA-N 1 2 359.499 3.663 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H](C)COC ZINC000661245881 945901826 /nfs/dbraw/zinc/90/18/26/945901826.db2.gz DKSRNPJNCZUESI-GFCCVEGCSA-N 1 2 355.360 3.778 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H](C)COC ZINC000661245881 945901828 /nfs/dbraw/zinc/90/18/28/945901828.db2.gz DKSRNPJNCZUESI-GFCCVEGCSA-N 1 2 355.360 3.778 20 30 FHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000661413284 946078716 /nfs/dbraw/zinc/07/87/16/946078716.db2.gz CLRNLXHLNCSBIF-NSHGMRRFSA-N 1 2 356.514 3.605 20 30 FHEDLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)cc(C#N)c1 ZINC000507737635 946255803 /nfs/dbraw/zinc/25/58/03/946255803.db2.gz BRYIRHARXQAITC-UHFFFAOYSA-N 1 2 366.371 3.938 20 30 FHEDLO CCCC[C@@H](CC)CNC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000018925692 946292539 /nfs/dbraw/zinc/29/25/39/946292539.db2.gz SNCRPDKDPFGGTA-GOSISDBHSA-N 1 2 372.582 3.767 20 30 FHEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1N1CCCC1 ZINC000441250283 946345994 /nfs/dbraw/zinc/34/59/94/946345994.db2.gz YUFSBFRGFPKHEL-UHFFFAOYSA-N 1 2 373.460 3.840 20 30 FHEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1N1CCCC1 ZINC000441250283 946346006 /nfs/dbraw/zinc/34/60/06/946346006.db2.gz YUFSBFRGFPKHEL-UHFFFAOYSA-N 1 2 373.460 3.840 20 30 FHEDLO N#Cc1cccc(C2(c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)CC2)c1 ZINC000545688934 946405195 /nfs/dbraw/zinc/40/51/95/946405195.db2.gz OKMVWNJPIQNSOF-UHFFFAOYSA-N 1 2 353.385 3.874 20 30 FHEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)c1cn(CCC#N)c3ccccc13)C2 ZINC000661737939 946545793 /nfs/dbraw/zinc/54/57/93/946545793.db2.gz MDIDWAPUQFKEGF-UHFFFAOYSA-N 1 2 373.456 3.805 20 30 FHEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)c1cn(CCC#N)c3ccccc13)C2 ZINC000661737939 946545798 /nfs/dbraw/zinc/54/57/98/946545798.db2.gz MDIDWAPUQFKEGF-UHFFFAOYSA-N 1 2 373.456 3.805 20 30 FHEDLO COc1cc(C#N)ccc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000121382275 946609641 /nfs/dbraw/zinc/60/96/41/946609641.db2.gz XLFQIESSWSQQCF-UHFFFAOYSA-N 1 2 355.413 3.555 20 30 FHEDLO COc1cc(C#N)ccc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000121382275 946609647 /nfs/dbraw/zinc/60/96/47/946609647.db2.gz XLFQIESSWSQQCF-UHFFFAOYSA-N 1 2 355.413 3.555 20 30 FHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)c3c[nH]c4ccccc34)CC2)c1 ZINC000104714279 946649272 /nfs/dbraw/zinc/64/92/72/946649272.db2.gz NWWTXQOWWFSMBG-UHFFFAOYSA-N 1 2 359.429 3.766 20 30 FHEDLO COc1ccccc1[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[NH+]1CCCC1 ZINC000005292715 946794831 /nfs/dbraw/zinc/79/48/31/946794831.db2.gz JIZOYBXLCANZMU-KOMLCTQHSA-N 1 2 369.421 3.565 20 30 FHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@H](CC#N)c2ccccc2)c1C ZINC000475368756 946963582 /nfs/dbraw/zinc/96/35/82/946963582.db2.gz KPZQMFXIYYJRCA-GOSISDBHSA-N 1 2 351.450 3.753 20 30 FHEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328700397 946994639 /nfs/dbraw/zinc/99/46/39/946994639.db2.gz MRPZQMDCNSPDOA-TZMCWYRMSA-N 1 2 350.825 3.989 20 30 FHEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328700397 946994650 /nfs/dbraw/zinc/99/46/50/946994650.db2.gz MRPZQMDCNSPDOA-TZMCWYRMSA-N 1 2 350.825 3.989 20 30 FHEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCC1(c2ccccc2)CCCC1 ZINC000328769079 947019810 /nfs/dbraw/zinc/01/98/10/947019810.db2.gz GHZYRNNJTVNSOF-QZTJIDSGSA-N 1 2 355.482 3.506 20 30 FHEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCC1(c2ccccc2)CCCC1 ZINC000328769079 947019818 /nfs/dbraw/zinc/01/98/18/947019818.db2.gz GHZYRNNJTVNSOF-QZTJIDSGSA-N 1 2 355.482 3.506 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC=C(C(F)(F)F)CC1)C2 ZINC000328792074 947049307 /nfs/dbraw/zinc/04/93/07/947049307.db2.gz AASFWVASODMQRU-ZDUSSCGKSA-N 1 2 370.419 3.604 20 30 FHEDLO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000328902432 947074532 /nfs/dbraw/zinc/07/45/32/947074532.db2.gz GPKPKRRQWSSVCG-CXAGYDPISA-N 1 2 365.437 3.551 20 30 FHEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000598628371 947084145 /nfs/dbraw/zinc/08/41/45/947084145.db2.gz QNTFYBHTLFXPCZ-DLBZAZTESA-N 1 2 350.890 3.793 20 30 FHEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000598628371 947084150 /nfs/dbraw/zinc/08/41/50/947084150.db2.gz QNTFYBHTLFXPCZ-DLBZAZTESA-N 1 2 350.890 3.793 20 30 FHEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000328943720 947095910 /nfs/dbraw/zinc/09/59/10/947095910.db2.gz AKWSCIBWOQNODT-KOLCDFICSA-N 1 2 352.797 3.637 20 30 FHEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000328943720 947095922 /nfs/dbraw/zinc/09/59/22/947095922.db2.gz AKWSCIBWOQNODT-KOLCDFICSA-N 1 2 352.797 3.637 20 30 FHEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC=C(C(F)(F)F)CC2)c(C)c1 ZINC000330478103 947181573 /nfs/dbraw/zinc/18/15/73/947181573.db2.gz XFLRAHZLITVQNU-ZDUSSCGKSA-N 1 2 369.387 3.548 20 30 FHEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC=C(C(F)(F)F)CC2)c(C)c1 ZINC000330478103 947181580 /nfs/dbraw/zinc/18/15/80/947181580.db2.gz XFLRAHZLITVQNU-ZDUSSCGKSA-N 1 2 369.387 3.548 20 30 FHEDLO C[C@H]1CN(c2ccc(NCc3ccc(F)c(C#N)c3Cl)c[nH+]2)C[C@H](C)O1 ZINC000475443306 947258569 /nfs/dbraw/zinc/25/85/69/947258569.db2.gz IZIQXBFALUXKHH-STQMWFEESA-N 1 2 374.847 3.971 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nccs2)ccc1Cl ZINC000184439785 947360098 /nfs/dbraw/zinc/36/00/98/947360098.db2.gz HRMVFOYMTUWLFQ-ZDUSSCGKSA-N 1 2 362.886 3.702 20 30 FHEDLO C[C@@H]([NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1cccc(C#N)c1 ZINC000278887501 947997818 /nfs/dbraw/zinc/99/78/18/947997818.db2.gz IMHPIAMSSVAVPC-NXEZZACHSA-N 1 2 368.384 3.711 20 30 FHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459088895 948076299 /nfs/dbraw/zinc/07/62/99/948076299.db2.gz YMWIQXNKQXMDDG-UHFFFAOYSA-N 1 2 355.486 3.764 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cccc(CC#N)c2)c(C)c1 ZINC000441501489 948126611 /nfs/dbraw/zinc/12/66/11/948126611.db2.gz QITXYQYDXSRQMF-NRFANRHFSA-N 1 2 358.445 3.737 20 30 FHEDLO N#Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1OC(F)(F)F ZINC000441520258 948194043 /nfs/dbraw/zinc/19/40/43/948194043.db2.gz CEXNPEDMUKMDQM-UHFFFAOYSA-N 1 2 372.306 3.895 20 30 FHEDLO CCc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507773022 948227473 /nfs/dbraw/zinc/22/74/73/948227473.db2.gz SNZBJQOBKWCPHP-UHFFFAOYSA-N 1 2 363.461 3.603 20 30 FHEDLO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000191420848 948285682 /nfs/dbraw/zinc/28/56/82/948285682.db2.gz RZZKTTFXIXPPIF-IAGOWNOFSA-N 1 2 359.514 3.769 20 30 FHEDLO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000574727441 948402370 /nfs/dbraw/zinc/40/23/70/948402370.db2.gz DKUHSEFZQHMPIM-UHFFFAOYSA-N 1 2 366.446 3.891 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Br)cn1 ZINC000512168537 948619191 /nfs/dbraw/zinc/61/91/91/948619191.db2.gz LDJAOYMRMMZNDA-UHFFFAOYSA-N 1 2 351.244 3.508 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Br)cn1 ZINC000512168537 948619195 /nfs/dbraw/zinc/61/91/95/948619195.db2.gz LDJAOYMRMMZNDA-UHFFFAOYSA-N 1 2 351.244 3.508 20 30 FHEDLO COc1cc(OC)cc([C@@H](Nc2ccc(C#N)cc2F)c2[nH+]ccn2C)c1 ZINC000116599737 210250604 /nfs/dbraw/zinc/25/06/04/210250604.db2.gz PEZRQAQRNBCWNJ-LJQANCHMSA-N 1 2 366.396 3.650 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000017843273 211188980 /nfs/dbraw/zinc/18/89/80/211188980.db2.gz DMXUGMGJGQPXRR-UHFFFAOYSA-N 1 2 373.378 3.535 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297707 567972740 /nfs/dbraw/zinc/97/27/40/567972740.db2.gz NMOAENUKTJIICZ-UHFFFAOYSA-N 1 2 359.813 3.875 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297707 567972741 /nfs/dbraw/zinc/97/27/41/567972741.db2.gz NMOAENUKTJIICZ-UHFFFAOYSA-N 1 2 359.813 3.875 20 30 FHEDLO CN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[C@H]1C#N ZINC000602916603 568012364 /nfs/dbraw/zinc/01/23/64/568012364.db2.gz NZJNXABBHRVVJC-KXBFYZLASA-N 1 2 361.449 3.758 20 30 FHEDLO CSC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000602923573 568017970 /nfs/dbraw/zinc/01/79/70/568017970.db2.gz RLHYORSMVCPJKP-AWEZNQCLSA-N 1 2 363.552 3.704 20 30 FHEDLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000481600516 568064097 /nfs/dbraw/zinc/06/40/97/568064097.db2.gz AGRCKMUKMJPRNY-PWIZWCRZSA-N 1 2 352.409 3.837 20 30 FHEDLO C=CCCSCCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603435342 568100542 /nfs/dbraw/zinc/10/05/42/568100542.db2.gz KCINDUOJYYOBMO-INIZCTEOSA-N 1 2 362.474 3.589 20 30 FHEDLO C=CC[C@H](C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000604899157 568387865 /nfs/dbraw/zinc/38/78/65/568387865.db2.gz NINGOJROUOMPDS-BBRMVZONSA-N 1 2 353.869 3.707 20 30 FHEDLO C=CC[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000604899157 568387866 /nfs/dbraw/zinc/38/78/66/568387866.db2.gz NINGOJROUOMPDS-BBRMVZONSA-N 1 2 353.869 3.707 20 30 FHEDLO N#Cc1ccncc1N1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000569419112 568401752 /nfs/dbraw/zinc/40/17/52/568401752.db2.gz IAOHRFHLUFYWQI-UHFFFAOYSA-N 1 2 352.825 3.675 20 30 FHEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cccc(Cl)c1Cl ZINC000032832132 568410161 /nfs/dbraw/zinc/41/01/61/568410161.db2.gz LOSUXWHYBGZMHY-UHFFFAOYSA-N 1 2 354.281 3.768 20 30 FHEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cccc(Cl)c1Cl ZINC000032832132 568410162 /nfs/dbraw/zinc/41/01/62/568410162.db2.gz LOSUXWHYBGZMHY-UHFFFAOYSA-N 1 2 354.281 3.768 20 30 FHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000277848753 571327726 /nfs/dbraw/zinc/32/77/26/571327726.db2.gz SPMXWMRYJMMOFK-GFCCVEGCSA-N 1 2 352.335 3.819 20 30 FHEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000277848753 571327727 /nfs/dbraw/zinc/32/77/27/571327727.db2.gz SPMXWMRYJMMOFK-GFCCVEGCSA-N 1 2 352.335 3.819 20 30 FHEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)cc(F)c1O ZINC000823914341 608582227 /nfs/dbraw/zinc/58/22/27/608582227.db2.gz GUELFNFVBLKYBK-UHFFFAOYSA-N 1 2 373.819 3.553 20 30 FHEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)cc(F)c1O ZINC000823914341 608582228 /nfs/dbraw/zinc/58/22/28/608582228.db2.gz GUELFNFVBLKYBK-UHFFFAOYSA-N 1 2 373.819 3.553 20 30 FHEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000161963478 936328489 /nfs/dbraw/zinc/32/84/89/936328489.db2.gz SGIWGMMJBLJUNE-IRXDYDNUSA-N 1 2 363.461 3.728 20 30 FHEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161963359 936328744 /nfs/dbraw/zinc/32/87/44/936328744.db2.gz SGIWGMMJBLJUNE-IAGOWNOFSA-N 1 2 363.461 3.728 20 30 FHEDLO C#CC[N@@H+](CN1C[C@@H](c2ccccc2C)CC1=O)[C@@H]1CCc2ccccc21 ZINC000728195146 928054357 /nfs/dbraw/zinc/05/43/57/928054357.db2.gz FIWOLQPRUJGRAH-NZQKXSOJSA-N 1 2 358.485 3.891 20 30 FHEDLO C#CC[N@H+](CN1C[C@@H](c2ccccc2C)CC1=O)[C@@H]1CCc2ccccc21 ZINC000728195146 928054372 /nfs/dbraw/zinc/05/43/72/928054372.db2.gz FIWOLQPRUJGRAH-NZQKXSOJSA-N 1 2 358.485 3.891 20 30 FHEDLO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(Cl)c1OC ZINC000126928275 928291061 /nfs/dbraw/zinc/29/10/61/928291061.db2.gz OHWMLYJRKXYIEO-UHFFFAOYSA-N 1 2 371.868 3.551 20 30 FHEDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187203893 929425445 /nfs/dbraw/zinc/42/54/45/929425445.db2.gz IYVBVQBFGWUVMN-UHFFFAOYSA-N 1 2 367.880 3.915 20 30 FHEDLO COc1ccc(-c2nc(CO[NH+]=C(N)c3ccc(F)c(C)c3)co2)cc1 ZINC000121064947 929739307 /nfs/dbraw/zinc/73/93/07/929739307.db2.gz BPASSZFLKWHBHD-UHFFFAOYSA-N 1 2 355.369 3.635 20 30 FHEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)c3cccc(C#N)c3)cn2c1 ZINC000610364623 930152593 /nfs/dbraw/zinc/15/25/93/930152593.db2.gz SEVJWSSKDCQOTA-HNNXBMFYSA-N 1 2 364.474 3.625 20 30 FHEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)c3cccc(C#N)c3)cn2c1 ZINC000610364625 930152763 /nfs/dbraw/zinc/15/27/63/930152763.db2.gz SEVJWSSKDCQOTA-OAHLLOKOSA-N 1 2 364.474 3.625 20 30 FHEDLO Cc1cc(Nc2cc(I)c3[nH+]ccn3c2)ccc1C#N ZINC001210806116 930351615 /nfs/dbraw/zinc/35/16/15/930351615.db2.gz RAPODQDKNVUGFE-UHFFFAOYSA-N 1 2 374.185 3.863 20 30 FHEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(C#N)ccc1OC ZINC000126486538 931886917 /nfs/dbraw/zinc/88/69/17/931886917.db2.gz WWWBREWHAOMTTA-UHFFFAOYSA-N 1 2 351.450 3.644 20 30 FHEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(C#N)ccc1OC ZINC000126486538 931886925 /nfs/dbraw/zinc/88/69/25/931886925.db2.gz WWWBREWHAOMTTA-UHFFFAOYSA-N 1 2 351.450 3.644 20 30 FHEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566094 933082227 /nfs/dbraw/zinc/08/22/27/933082227.db2.gz FYDKGHBCATUDKY-QRWLVFNGSA-N 1 2 368.412 3.677 20 30 FHEDLO CC(C)(C)c1coc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000891863283 933671406 /nfs/dbraw/zinc/67/14/06/933671406.db2.gz ATBQDDFSOSEPDO-UHFFFAOYSA-N 1 2 366.465 3.694 20 30 FHEDLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610859837 934533555 /nfs/dbraw/zinc/53/35/55/934533555.db2.gz PAEJOZMJHZKGBN-UHFFFAOYSA-N 1 2 363.527 3.574 20 30 FHEDLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610859837 934533562 /nfs/dbraw/zinc/53/35/62/934533562.db2.gz PAEJOZMJHZKGBN-UHFFFAOYSA-N 1 2 363.527 3.574 20 30 FHEDLO N#Cc1cccc(OCC[N@H+]2CCc3sc(Br)cc3C2)c1 ZINC000610990157 934722767 /nfs/dbraw/zinc/72/27/67/934722767.db2.gz NGHLJBHDCRTLNT-UHFFFAOYSA-N 1 2 363.280 3.819 20 30 FHEDLO N#Cc1cccc(OCC[N@@H+]2CCc3sc(Br)cc3C2)c1 ZINC000610990157 934722769 /nfs/dbraw/zinc/72/27/69/934722769.db2.gz NGHLJBHDCRTLNT-UHFFFAOYSA-N 1 2 363.280 3.819 20 30 FHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610993930 934727722 /nfs/dbraw/zinc/72/77/22/934727722.db2.gz OEAPAPVEDRIYQK-HXUWFJFHSA-N 1 2 356.420 3.500 20 30 FHEDLO COc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1C#N ZINC000610993812 934729451 /nfs/dbraw/zinc/72/94/51/934729451.db2.gz JNIROLIZKSCLFM-TXEJJXNPSA-N 1 2 352.278 3.739 20 30 FHEDLO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1C#N ZINC000610993812 934729453 /nfs/dbraw/zinc/72/94/53/934729453.db2.gz JNIROLIZKSCLFM-TXEJJXNPSA-N 1 2 352.278 3.739 20 30 FHEDLO Cc1noc(C(C)(C)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000551269168 935237618 /nfs/dbraw/zinc/23/76/18/935237618.db2.gz WUZYBHBAFPVPNH-UHFFFAOYSA-N 1 2 362.433 3.854 20 30 FHEDLO N#Cc1cccc(C2([NH2+]Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC2)c1 ZINC000551712692 935332695 /nfs/dbraw/zinc/33/26/95/935332695.db2.gz PNPSMLLREOUDJB-UHFFFAOYSA-N 1 2 374.469 3.560 20 30 FHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C(=O)OC)ccc1Cl ZINC000511108003 935596037 /nfs/dbraw/zinc/59/60/37/935596037.db2.gz HAZBGQQIHWVFQP-UHFFFAOYSA-N 1 2 372.852 3.647 20 30 FHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C(=O)OC)ccc1Cl ZINC000511108003 935596039 /nfs/dbraw/zinc/59/60/39/935596039.db2.gz HAZBGQQIHWVFQP-UHFFFAOYSA-N 1 2 372.852 3.647 20 30 FHEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)cc1 ZINC000511108151 935605853 /nfs/dbraw/zinc/60/58/53/935605853.db2.gz LVDOPEXPHWFAHT-WOJBJXKFSA-N 1 2 369.415 3.647 20 30 FHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000582392307 935630950 /nfs/dbraw/zinc/63/09/50/935630950.db2.gz WKATVZAEIJADJW-GFCCVEGCSA-N 1 2 363.387 3.746 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC2CCCC2)[N@H+](C)C1 ZINC000329058700 935728011 /nfs/dbraw/zinc/72/80/11/935728011.db2.gz MXAHZZVWOFVXSL-HOCLYGCPSA-N 1 2 352.862 3.969 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC2CCCC2)[N@@H+](C)C1 ZINC000329058700 935728016 /nfs/dbraw/zinc/72/80/16/935728016.db2.gz MXAHZZVWOFVXSL-HOCLYGCPSA-N 1 2 352.862 3.969 20 30 FHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000158485833 935820812 /nfs/dbraw/zinc/82/08/12/935820812.db2.gz HTYLGIHISFISIS-UHFFFAOYSA-N 1 2 370.403 3.623 20 30 FHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000548754505 935966500 /nfs/dbraw/zinc/96/65/00/935966500.db2.gz QKLIOCLWHPKSOO-BETUJISGSA-N 1 2 354.429 3.526 20 30 FHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000548754505 935966503 /nfs/dbraw/zinc/96/65/03/935966503.db2.gz QKLIOCLWHPKSOO-BETUJISGSA-N 1 2 354.429 3.526 20 30 FHEDLO N#Cc1cccc(C2(C(=O)N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)CC2)c1 ZINC000548769740 936127804 /nfs/dbraw/zinc/12/78/04/936127804.db2.gz WWWIKXMENOZSCT-SFHVURJKSA-N 1 2 374.488 3.529 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(OC(F)F)c1 ZINC000548798424 938280461 /nfs/dbraw/zinc/28/04/61/938280461.db2.gz SAOKMUXSRCDXQF-UHFFFAOYSA-N 1 2 368.387 3.612 20 30 FHEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245625355 938308710 /nfs/dbraw/zinc/30/87/10/938308710.db2.gz YDAJOCWZTNNUJO-DLBZAZTESA-N 1 2 363.864 3.815 20 30 FHEDLO CC[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245625355 938308711 /nfs/dbraw/zinc/30/87/11/938308711.db2.gz YDAJOCWZTNNUJO-DLBZAZTESA-N 1 2 363.864 3.815 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@H]1c1ccccc1)C2 ZINC000329278795 938315693 /nfs/dbraw/zinc/31/56/93/938315693.db2.gz MELAAGRGEYMCMV-IRXDYDNUSA-N 1 2 352.482 3.856 20 30 FHEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c1 ZINC000506417236 945170917 /nfs/dbraw/zinc/17/09/17/945170917.db2.gz QGTLSTHQGMYGRH-UHFFFAOYSA-N 1 2 368.452 3.657 20 30 FHEDLO COc1ccccc1[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)[NH+]1CCCC1 ZINC000255577084 938361098 /nfs/dbraw/zinc/36/10/98/938361098.db2.gz JIZOYBXLCANZMU-PKIWBCANSA-N 1 2 369.421 3.565 20 30 FHEDLO CC(C)([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nccs1 ZINC000163395710 938365991 /nfs/dbraw/zinc/36/59/91/938365991.db2.gz MNRNFVBDKVSRRV-UHFFFAOYSA-N 1 2 362.886 3.568 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000247076433 938434564 /nfs/dbraw/zinc/43/45/64/938434564.db2.gz HXWJUNIMOSDWEK-FPOVZHCZSA-N 1 2 352.482 3.749 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000247076433 938434566 /nfs/dbraw/zinc/43/45/66/938434566.db2.gz HXWJUNIMOSDWEK-FPOVZHCZSA-N 1 2 352.482 3.749 20 30 FHEDLO N#C[C@@H]1CC[C@H](Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC000278568482 938542500 /nfs/dbraw/zinc/54/25/00/938542500.db2.gz NGGVOUXWEQOECC-MSOLQXFVSA-N 1 2 367.522 3.707 20 30 FHEDLO C=CC[N@@H+](C/C(C)=C/c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000584199278 938638611 /nfs/dbraw/zinc/63/86/11/938638611.db2.gz ZFSMRMKUAFQLAW-SHRNQRGKSA-N 1 2 373.440 3.784 20 30 FHEDLO C=CC[N@H+](C/C(C)=C/c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000584199278 938638612 /nfs/dbraw/zinc/63/86/12/938638612.db2.gz ZFSMRMKUAFQLAW-SHRNQRGKSA-N 1 2 373.440 3.784 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000584385299 938793296 /nfs/dbraw/zinc/79/32/96/938793296.db2.gz FKNLCWZRVNMDCB-IIBYNOLFSA-N 1 2 357.473 3.748 20 30 FHEDLO C[C@H](c1ccccc1Br)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000139732303 938943631 /nfs/dbraw/zinc/94/36/31/938943631.db2.gz OKMHBVGBIPRNOT-CQSZACIVSA-N 1 2 371.282 3.599 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 ZINC000135569572 938969106 /nfs/dbraw/zinc/96/91/06/938969106.db2.gz MSQTWJGRHBZYJI-UHFFFAOYSA-N 1 2 373.268 3.929 20 30 FHEDLO COC(=O)c1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 ZINC000135569572 938969108 /nfs/dbraw/zinc/96/91/08/938969108.db2.gz MSQTWJGRHBZYJI-UHFFFAOYSA-N 1 2 373.268 3.929 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccnn1-c1ccccc1C ZINC000685442204 938986705 /nfs/dbraw/zinc/98/67/05/938986705.db2.gz GKEGUIBTHVKIHY-UHFFFAOYSA-N 1 2 351.450 3.844 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccnn1-c1ccccc1C ZINC000685442204 938986706 /nfs/dbraw/zinc/98/67/06/938986706.db2.gz GKEGUIBTHVKIHY-UHFFFAOYSA-N 1 2 351.450 3.844 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3c(F)cccc3C#N)n2)C1 ZINC000507449408 945243107 /nfs/dbraw/zinc/24/31/07/945243107.db2.gz HLUANLNUVDCZRH-CYBMUJFWSA-N 1 2 372.469 3.567 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3c(F)cccc3C#N)n2)C1 ZINC000507449408 945243113 /nfs/dbraw/zinc/24/31/13/945243113.db2.gz HLUANLNUVDCZRH-CYBMUJFWSA-N 1 2 372.469 3.567 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(=O)[nH]n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000375794279 939897629 /nfs/dbraw/zinc/89/76/29/939897629.db2.gz VGCUPBUFAQFJQT-NWDGAFQWSA-N 1 2 351.435 3.589 20 30 FHEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000365267324 940102164 /nfs/dbraw/zinc/10/21/64/940102164.db2.gz NSOIKAJYRVVXBB-LBPRGKRZSA-N 1 2 352.369 3.607 20 30 FHEDLO CC(C)c1noc([C@H](C)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000612543617 940130112 /nfs/dbraw/zinc/13/01/12/940130112.db2.gz DRVSGYZTCDSVLW-HOTGVXAUSA-N 1 2 353.470 3.504 20 30 FHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@@H]3CC(F)F)c2)c1 ZINC000580011592 940430603 /nfs/dbraw/zinc/43/06/03/940430603.db2.gz LZQINVQGRLJABA-IBGZPJMESA-N 1 2 372.415 3.993 20 30 FHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@@H]3CC(F)F)c2)c1 ZINC000580011592 940430604 /nfs/dbraw/zinc/43/06/04/940430604.db2.gz LZQINVQGRLJABA-IBGZPJMESA-N 1 2 372.415 3.993 20 30 FHEDLO COCC[N@H+](Cc1nc2ccccc2n1C(F)F)Cc1ccc(C#N)cc1 ZINC000128295645 940475364 /nfs/dbraw/zinc/47/53/64/940475364.db2.gz MHKGQCACWMTFNB-UHFFFAOYSA-N 1 2 370.403 3.952 20 30 FHEDLO COCC[N@@H+](Cc1nc2ccccc2n1C(F)F)Cc1ccc(C#N)cc1 ZINC000128295645 940475366 /nfs/dbraw/zinc/47/53/66/940475366.db2.gz MHKGQCACWMTFNB-UHFFFAOYSA-N 1 2 370.403 3.952 20 30 FHEDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000580544805 940478849 /nfs/dbraw/zinc/47/88/49/940478849.db2.gz DPPWQUYUQGPLHD-IIBYNOLFSA-N 1 2 370.456 3.862 20 30 FHEDLO N#Cc1c(-n2cccn2)cccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000580725446 940482928 /nfs/dbraw/zinc/48/29/28/940482928.db2.gz RQLUMWRWZDHATD-UHFFFAOYSA-N 1 2 360.465 3.637 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C#N)cc1 ZINC000580786251 940487282 /nfs/dbraw/zinc/48/72/82/940487282.db2.gz OCQYKUSCOAKQAE-OLZOCXBDSA-N 1 2 363.377 3.928 20 30 FHEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000173532115 940637587 /nfs/dbraw/zinc/63/75/87/940637587.db2.gz WWAMNQOHZXPNQJ-OAHLLOKOSA-N 1 2 351.475 3.688 20 30 FHEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000173532115 940637589 /nfs/dbraw/zinc/63/75/89/940637589.db2.gz WWAMNQOHZXPNQJ-OAHLLOKOSA-N 1 2 351.475 3.688 20 30 FHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000582089429 940652584 /nfs/dbraw/zinc/65/25/84/940652584.db2.gz FJOGPJYDJIFREK-LJQANCHMSA-N 1 2 372.415 3.993 20 30 FHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000582089429 940652585 /nfs/dbraw/zinc/65/25/85/940652585.db2.gz FJOGPJYDJIFREK-LJQANCHMSA-N 1 2 372.415 3.993 20 30 FHEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180223292 940847939 /nfs/dbraw/zinc/84/79/39/940847939.db2.gz LXIORZHLVHMCER-LJQANCHMSA-N 1 2 364.474 3.594 20 30 FHEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180223292 940847941 /nfs/dbraw/zinc/84/79/41/940847941.db2.gz LXIORZHLVHMCER-LJQANCHMSA-N 1 2 364.474 3.594 20 30 FHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Oc4ccccc4)o3)CC2)nc1 ZINC000180420514 941009620 /nfs/dbraw/zinc/00/96/20/941009620.db2.gz JIEOPRJGNDTRGP-UHFFFAOYSA-N 1 2 360.417 3.661 20 30 FHEDLO Cc1cc(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(C)n1Cc1ccco1 ZINC000176312198 941017753 /nfs/dbraw/zinc/01/77/53/941017753.db2.gz GVILOBRMIRQIKA-UHFFFAOYSA-N 1 2 361.445 3.933 20 30 FHEDLO Cc1cc(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(C)n1Cc1ccco1 ZINC000176312198 941017757 /nfs/dbraw/zinc/01/77/57/941017757.db2.gz GVILOBRMIRQIKA-UHFFFAOYSA-N 1 2 361.445 3.933 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(OC)cc1 ZINC000177039725 941095362 /nfs/dbraw/zinc/09/53/62/941095362.db2.gz GIHRWWQDGPXJJV-UHFFFAOYSA-N 1 2 369.490 3.872 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(OC)cc1 ZINC000177039725 941095365 /nfs/dbraw/zinc/09/53/65/941095365.db2.gz GIHRWWQDGPXJJV-UHFFFAOYSA-N 1 2 369.490 3.872 20 30 FHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000376543285 941127036 /nfs/dbraw/zinc/12/70/36/941127036.db2.gz UBCKIDVPEHQAAE-CYBMUJFWSA-N 1 2 373.254 3.571 20 30 FHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000376543285 941127038 /nfs/dbraw/zinc/12/70/38/941127038.db2.gz UBCKIDVPEHQAAE-CYBMUJFWSA-N 1 2 373.254 3.571 20 30 FHEDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000376595516 941283900 /nfs/dbraw/zinc/28/39/00/941283900.db2.gz ODULAQOTLCZGKJ-QGZVFWFLSA-N 1 2 362.477 3.528 20 30 FHEDLO O=C(c1ccccc1F)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000178655601 941292832 /nfs/dbraw/zinc/29/28/32/941292832.db2.gz ZDCJBCMQVJXCPZ-UHFFFAOYSA-N 1 2 370.855 3.679 20 30 FHEDLO O=C(c1ccccc1F)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000178655601 941292835 /nfs/dbraw/zinc/29/28/35/941292835.db2.gz ZDCJBCMQVJXCPZ-UHFFFAOYSA-N 1 2 370.855 3.679 20 30 FHEDLO NC(=[NH+]OCc1cc(-c2ccccc2)no1)c1ccc(Br)cc1 ZINC000782948580 941322558 /nfs/dbraw/zinc/32/25/58/941322558.db2.gz LPPFVYKOAVGGEY-UHFFFAOYSA-N 1 2 372.222 3.941 20 30 FHEDLO O=C(c1ccsc1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000178920044 941322814 /nfs/dbraw/zinc/32/28/14/941322814.db2.gz IWDZATBKXKCTTC-UHFFFAOYSA-N 1 2 358.894 3.601 20 30 FHEDLO O=C(c1ccsc1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000178920044 941322816 /nfs/dbraw/zinc/32/28/16/941322816.db2.gz IWDZATBKXKCTTC-UHFFFAOYSA-N 1 2 358.894 3.601 20 30 FHEDLO N#Cc1ccc(C2=CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000377277456 941612374 /nfs/dbraw/zinc/61/23/74/941612374.db2.gz MIQJEMFKYZQMIQ-UHFFFAOYSA-N 1 2 354.413 3.673 20 30 FHEDLO N#CCOc1ccc(C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000729267101 941705366 /nfs/dbraw/zinc/70/53/66/941705366.db2.gz JFIXHQSLEYZDSN-UHFFFAOYSA-N 1 2 361.898 3.622 20 30 FHEDLO Brc1ccc(CNN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000726740054 941725459 /nfs/dbraw/zinc/72/54/59/941725459.db2.gz QLVPLGWOYSIZOZ-UHFFFAOYSA-N 1 2 355.239 3.759 20 30 FHEDLO C=CCC[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000433764383 941882406 /nfs/dbraw/zinc/88/24/06/941882406.db2.gz HAFBMFFOUHYUTJ-OALUTQOASA-N 1 2 352.482 3.947 20 30 FHEDLO C=CCC[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000433764383 941882411 /nfs/dbraw/zinc/88/24/11/941882411.db2.gz HAFBMFFOUHYUTJ-OALUTQOASA-N 1 2 352.482 3.947 20 30 FHEDLO CC(C)(C)c1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000433874164 941965204 /nfs/dbraw/zinc/96/52/04/941965204.db2.gz VDUZAMGZBSRXSQ-UHFFFAOYSA-N 1 2 361.489 3.814 20 30 FHEDLO C=CC[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000187847985 942230094 /nfs/dbraw/zinc/23/00/94/942230094.db2.gz ONGHPLGNKKJSTA-NRFANRHFSA-N 1 2 350.462 3.817 20 30 FHEDLO COc1ccc(OC)c(C[N@H+](Cc2ccc(C#N)cc2OC)C2CC2)c1 ZINC000501270418 942375611 /nfs/dbraw/zinc/37/56/11/942375611.db2.gz WXHBPUVDKPAFJY-UHFFFAOYSA-N 1 2 352.434 3.749 20 30 FHEDLO COc1ccc(OC)c(C[N@@H+](Cc2ccc(C#N)cc2OC)C2CC2)c1 ZINC000501270418 942375614 /nfs/dbraw/zinc/37/56/14/942375614.db2.gz WXHBPUVDKPAFJY-UHFFFAOYSA-N 1 2 352.434 3.749 20 30 FHEDLO C=CCCOCCCCC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513992369 942654167 /nfs/dbraw/zinc/65/41/67/942654167.db2.gz PXRPGCAQDBIHEQ-GOSISDBHSA-N 1 2 350.890 3.576 20 30 FHEDLO N#Cc1ccc(N2CC[NH+](CCc3cccc(Cl)c3Cl)CC2)nc1 ZINC000434540633 942756868 /nfs/dbraw/zinc/75/68/68/942756868.db2.gz NPXQQXNRTBZSCG-UHFFFAOYSA-N 1 2 361.276 3.625 20 30 FHEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000502875590 942806761 /nfs/dbraw/zinc/80/67/61/942806761.db2.gz MPXFHMPGCLEPNI-OAQYLSRUSA-N 1 2 362.408 3.987 20 30 FHEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000502875590 942806766 /nfs/dbraw/zinc/80/67/66/942806766.db2.gz MPXFHMPGCLEPNI-OAQYLSRUSA-N 1 2 362.408 3.987 20 30 FHEDLO CC1(C#N)CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000272596398 943183211 /nfs/dbraw/zinc/18/32/11/943183211.db2.gz QEOZWAFYVUWSKQ-UHFFFAOYSA-N 1 2 350.344 3.881 20 30 FHEDLO CC(C)(C)c1nc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000503902454 943399629 /nfs/dbraw/zinc/39/96/29/943399629.db2.gz OHPGABAOYVKKQU-QGZVFWFLSA-N 1 2 368.506 3.597 20 30 FHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000503962964 943441593 /nfs/dbraw/zinc/44/15/93/943441593.db2.gz SANTWIGWTYRNFE-UHFFFAOYSA-N 1 2 368.440 3.982 20 30 FHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000162447992 943754615 /nfs/dbraw/zinc/75/46/15/943754615.db2.gz QNBJPEQGKAORSZ-INIZCTEOSA-N 1 2 358.511 3.501 20 30 FHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000162447992 943754617 /nfs/dbraw/zinc/75/46/17/943754617.db2.gz QNBJPEQGKAORSZ-INIZCTEOSA-N 1 2 358.511 3.501 20 30 FHEDLO CC(C)c1nc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c2ccccn21 ZINC000516931984 943842246 /nfs/dbraw/zinc/84/22/46/943842246.db2.gz WORYDZKOYMRZCH-UHFFFAOYSA-N 1 2 362.477 3.978 20 30 FHEDLO CC(C)c1nc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c2ccccn21 ZINC000516931984 943842263 /nfs/dbraw/zinc/84/22/63/943842263.db2.gz WORYDZKOYMRZCH-UHFFFAOYSA-N 1 2 362.477 3.978 20 30 FHEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1csc2ccccc12 ZINC000128478232 944067417 /nfs/dbraw/zinc/06/74/17/944067417.db2.gz RCCVPJBIKGODRF-UHFFFAOYSA-N 1 2 370.499 3.679 20 30 FHEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1csc2ccccc12 ZINC000128478232 944067425 /nfs/dbraw/zinc/06/74/25/944067425.db2.gz RCCVPJBIKGODRF-UHFFFAOYSA-N 1 2 370.499 3.679 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000518389958 944344678 /nfs/dbraw/zinc/34/46/78/944344678.db2.gz KCEPKLXWKOFVOU-UHFFFAOYSA-N 1 2 370.456 3.511 20 30 FHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000473053298 944471460 /nfs/dbraw/zinc/47/14/60/944471460.db2.gz VFFSZGKRBUBKIA-UHFFFAOYSA-N 1 2 356.857 3.959 20 30 FHEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000473053298 944471464 /nfs/dbraw/zinc/47/14/64/944471464.db2.gz VFFSZGKRBUBKIA-UHFFFAOYSA-N 1 2 356.857 3.959 20 30 FHEDLO COCC[N@H+](Cc1ccc(C#N)o1)Cc1ccc(Br)s1 ZINC000426380456 944596547 /nfs/dbraw/zinc/59/65/47/944596547.db2.gz LJQZBFKBWDJQQZ-UHFFFAOYSA-N 1 2 355.257 3.624 20 30 FHEDLO COCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Br)s1 ZINC000426380456 944596554 /nfs/dbraw/zinc/59/65/54/944596554.db2.gz LJQZBFKBWDJQQZ-UHFFFAOYSA-N 1 2 355.257 3.624 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000439444599 944621773 /nfs/dbraw/zinc/62/17/73/944621773.db2.gz XLMRUTQMKBZHCJ-UHFFFAOYSA-N 1 2 353.853 3.560 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000439444599 944621776 /nfs/dbraw/zinc/62/17/76/944621776.db2.gz XLMRUTQMKBZHCJ-UHFFFAOYSA-N 1 2 353.853 3.560 20 30 FHEDLO Fc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000506583756 944642504 /nfs/dbraw/zinc/64/25/04/944642504.db2.gz GZTVGCBXEKCWJY-UHFFFAOYSA-N 1 2 358.301 3.915 20 30 FHEDLO Fc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000506583756 944642509 /nfs/dbraw/zinc/64/25/09/944642509.db2.gz GZTVGCBXEKCWJY-UHFFFAOYSA-N 1 2 358.301 3.915 20 30 FHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H](C)c3ccc(C#N)cc3)c2)n1 ZINC000194628403 944712227 /nfs/dbraw/zinc/71/22/27/944712227.db2.gz CVGFWOWPJXBAJF-KRWDZBQOSA-N 1 2 373.460 3.818 20 30 FHEDLO N#Cc1csc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)c1 ZINC000463524377 944787605 /nfs/dbraw/zinc/78/76/05/944787605.db2.gz DCUGBSXPGXIVLJ-UHFFFAOYSA-N 1 2 359.458 3.641 20 30 FHEDLO CC(C)(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843267 944903972 /nfs/dbraw/zinc/90/39/72/944903972.db2.gz ZDVZXPPPTBXJKU-UHFFFAOYSA-N 1 2 361.489 3.814 20 30 FHEDLO COc1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1OC(C)C ZINC000506338317 944961451 /nfs/dbraw/zinc/96/14/51/944961451.db2.gz FOBRDNCNRWTWMM-UHFFFAOYSA-N 1 2 365.477 3.676 20 30 FHEDLO N#Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(Cl)c1 ZINC000426151002 945029946 /nfs/dbraw/zinc/02/99/46/945029946.db2.gz UPQKDFWOZOGNCU-UHFFFAOYSA-N 1 2 369.787 3.858 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCSC3)n2)C1 ZINC000330131961 945369916 /nfs/dbraw/zinc/36/99/16/945369916.db2.gz QBKVYETYTZUJQJ-OLZOCXBDSA-N 1 2 354.545 3.597 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCSC3)n2)C1 ZINC000330131961 945369927 /nfs/dbraw/zinc/36/99/27/945369927.db2.gz QBKVYETYTZUJQJ-OLZOCXBDSA-N 1 2 354.545 3.597 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC000330179736 945389404 /nfs/dbraw/zinc/38/94/04/945389404.db2.gz MTICKBRIJNLFKE-GUDVDZBRSA-N 1 2 352.482 3.850 20 30 FHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000330189380 945394420 /nfs/dbraw/zinc/39/44/20/945394420.db2.gz LTHMDHCJQCSAMM-HZPDHXFCSA-N 1 2 374.460 3.635 20 30 FHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000330189380 945394424 /nfs/dbraw/zinc/39/44/24/945394424.db2.gz LTHMDHCJQCSAMM-HZPDHXFCSA-N 1 2 374.460 3.635 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330265942 945434072 /nfs/dbraw/zinc/43/40/72/945434072.db2.gz ZYERPNVSFTUXKH-HIFRSBDPSA-N 1 2 373.522 3.833 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330265942 945434075 /nfs/dbraw/zinc/43/40/75/945434075.db2.gz ZYERPNVSFTUXKH-HIFRSBDPSA-N 1 2 373.522 3.833 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)C1 ZINC000330270032 945435445 /nfs/dbraw/zinc/43/54/45/945435445.db2.gz STGCAMNDQGTPQI-DGCLKSJQSA-N 1 2 364.902 3.916 20 30 FHEDLO CC(C)c1ccc2c(c1)[C@H]([NH+]=C([O-])N1CC[C@H](c3[nH+]ccn3C)C1)CC2 ZINC000330278697 945441300 /nfs/dbraw/zinc/44/13/00/945441300.db2.gz PZJWINOUKRAMMQ-PKOBYXMFSA-N 1 2 352.482 3.934 20 30 FHEDLO Cc1ccc([C@@H]2[C@H](C)CCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330278599 945441360 /nfs/dbraw/zinc/44/13/60/945441360.db2.gz PVRLPZDWGQDEFK-KPFFTGBYSA-N 1 2 352.482 3.894 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2SCCc3ccccc32)CCO1 ZINC000330326142 945566068 /nfs/dbraw/zinc/56/60/68/945566068.db2.gz JXAKXFFCMYOZNV-JLSDUUJJSA-N 1 2 357.479 3.627 20 30 FHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000281242806 945573275 /nfs/dbraw/zinc/57/32/75/945573275.db2.gz PPLZFOBUDOTQKK-KRWDZBQOSA-N 1 2 368.387 3.784 20 30 FHEDLO C[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)Cn1cc[nH+]c1 ZINC000473879374 945573550 /nfs/dbraw/zinc/57/35/50/945573550.db2.gz SYBTUTDVPRUYPL-KRWDZBQOSA-N 1 2 374.444 3.808 20 30 FHEDLO Cc1c(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)sc2nccc(C)c12 ZINC000330337712 945607709 /nfs/dbraw/zinc/60/77/09/945607709.db2.gz UICWLCLHKJZYFY-HIFRSBDPSA-N 1 2 370.478 3.872 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CCNC(=O)C2CCCCC2)CCO1 ZINC000330340127 945609579 /nfs/dbraw/zinc/60/95/79/945609579.db2.gz XNSBKZWLVUIROX-WBVHZDCISA-N 1 2 362.474 3.524 20 30 FHEDLO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000550062724 945649977 /nfs/dbraw/zinc/64/99/77/945649977.db2.gz UOSAXXKTKJIMML-QGZVFWFLSA-N 1 2 351.288 3.551 20 30 FHEDLO CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000550062724 945649981 /nfs/dbraw/zinc/64/99/81/945649981.db2.gz UOSAXXKTKJIMML-QGZVFWFLSA-N 1 2 351.288 3.551 20 30 FHEDLO N#Cc1ccccc1OCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568253 945751255 /nfs/dbraw/zinc/75/12/55/945751255.db2.gz ORXLJTJTKOTAIV-UHFFFAOYSA-N 1 2 372.428 3.776 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)[C@H](C)COC ZINC000661243707 945897493 /nfs/dbraw/zinc/89/74/93/945897493.db2.gz LYIQICVPMIAHAD-CQSZACIVSA-N 1 2 359.495 3.580 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)[C@H](C)COC ZINC000661243707 945897505 /nfs/dbraw/zinc/89/75/05/945897505.db2.gz LYIQICVPMIAHAD-CQSZACIVSA-N 1 2 359.495 3.580 20 30 FHEDLO CC[C@@H](C#N)Oc1cccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301859221 946007766 /nfs/dbraw/zinc/00/77/66/946007766.db2.gz DAWBFJFAZIDFQE-HNNXBMFYSA-N 1 2 364.453 3.874 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+]1CCSCC1 ZINC000151766593 946122010 /nfs/dbraw/zinc/12/20/10/946122010.db2.gz NBZWBDCKJLYJIO-HNNXBMFYSA-N 1 2 367.474 3.726 20 30 FHEDLO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)ccc1F ZINC001143518677 946794752 /nfs/dbraw/zinc/79/47/52/946794752.db2.gz MMRMGDQAQQGUAS-GOSISDBHSA-N 1 2 357.816 3.954 20 30 FHEDLO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)ccc1F ZINC001143518677 946794758 /nfs/dbraw/zinc/79/47/58/946794758.db2.gz MMRMGDQAQQGUAS-GOSISDBHSA-N 1 2 357.816 3.954 20 30 FHEDLO CC(C)(C)c1nc2c(o1)c(C#N)cnc2N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167993004 946819931 /nfs/dbraw/zinc/81/99/31/946819931.db2.gz NLYBDIFMZVAFTL-UHFFFAOYSA-N 1 2 352.373 3.563 20 30 FHEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CC[C@@H](Cc3ccc(F)cc3)C1)CCC2 ZINC000328658693 946968355 /nfs/dbraw/zinc/96/83/55/946968355.db2.gz RMWNNZYRHVZMQH-ROUUACIJSA-N 1 2 370.472 3.687 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CCc2ncc(C(C)(C)C)o2)CCO1 ZINC000328742181 947005760 /nfs/dbraw/zinc/00/57/60/947005760.db2.gz JITVNSCQMXVEER-ZFWWWQNUSA-N 1 2 360.458 3.515 20 30 FHEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328763299 947017207 /nfs/dbraw/zinc/01/72/07/947017207.db2.gz ZIXWXXZRNWHZBF-CQSZACIVSA-N 1 2 370.419 3.688 20 30 FHEDLO COC(=O)C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C(C)C ZINC000444651511 947071374 /nfs/dbraw/zinc/07/13/74/947071374.db2.gz GXOGDAACZTUROW-UHFFFAOYSA-N 1 2 350.462 3.770 20 30 FHEDLO COC(=O)C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C(C)C ZINC000444651511 947071385 /nfs/dbraw/zinc/07/13/85/947071385.db2.gz GXOGDAACZTUROW-UHFFFAOYSA-N 1 2 350.462 3.770 20 30 FHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000328933338 947092238 /nfs/dbraw/zinc/09/22/38/947092238.db2.gz DVZOXDCAJXDTPJ-UMVBOHGHSA-N 1 2 366.421 3.811 20 30 FHEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCOCC23CCCC3)C2CC2)cc1 ZINC000328920735 947109219 /nfs/dbraw/zinc/10/92/19/947109219.db2.gz LZPJYOIVLCOECD-HXUWFJFHSA-N 1 2 358.482 3.748 20 30 FHEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCOCC23CCCC3)C2CC2)cc1 ZINC000328920735 947109225 /nfs/dbraw/zinc/10/92/25/947109225.db2.gz LZPJYOIVLCOECD-HXUWFJFHSA-N 1 2 358.482 3.748 20 30 FHEDLO Cc1ccc(/C=C\CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000440526383 947144582 /nfs/dbraw/zinc/14/45/82/947144582.db2.gz LRMBDVFCYXNOEY-IHWYPQMZSA-N 1 2 359.473 3.614 20 30 FHEDLO CC1(C)CCC[N@H+](CCCCCn2nnc(-c3ccccc3)n2)[C@@H]1C#N ZINC000444720435 947162555 /nfs/dbraw/zinc/16/25/55/947162555.db2.gz PCTJWMJMRSXCME-GOSISDBHSA-N 1 2 352.486 3.525 20 30 FHEDLO CC1(C)CCC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)[C@@H]1C#N ZINC000444720435 947162563 /nfs/dbraw/zinc/16/25/63/947162563.db2.gz PCTJWMJMRSXCME-GOSISDBHSA-N 1 2 352.486 3.525 20 30 FHEDLO CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330623688 947230415 /nfs/dbraw/zinc/23/04/15/947230415.db2.gz QABLTXAUZFCVKD-KGLIPLIRSA-N 1 2 354.878 3.541 20 30 FHEDLO CC(C)(C)C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C(F)(F)F ZINC000330720340 947259204 /nfs/dbraw/zinc/25/92/04/947259204.db2.gz FYYCRNQCMCLPTK-KGLIPLIRSA-N 1 2 359.392 3.816 20 30 FHEDLO CC(C)(CNC(=O)Nc1cccc(C(F)F)c1Cl)[NH+]1CCOCC1 ZINC000330808932 947277793 /nfs/dbraw/zinc/27/77/93/947277793.db2.gz ABRJPKGRXHWZIC-UHFFFAOYSA-N 1 2 361.820 3.714 20 30 FHEDLO C[C@H](NC(=O)Nc1cccc(C(F)F)c1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000330859310 947286008 /nfs/dbraw/zinc/28/60/08/947286008.db2.gz RFBKXCSGPCUSIQ-QWRGUYRKSA-N 1 2 361.820 3.713 20 30 FHEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093810369 947354233 /nfs/dbraw/zinc/35/42/33/947354233.db2.gz YJENRTVRTULHMS-OAQYLSRUSA-N 1 2 373.460 3.603 20 30 FHEDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093810369 947354251 /nfs/dbraw/zinc/35/42/51/947354251.db2.gz YJENRTVRTULHMS-OAQYLSRUSA-N 1 2 373.460 3.603 20 30 FHEDLO CN(CCCn1cc[nH+]c1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440656789 947518344 /nfs/dbraw/zinc/51/83/44/947518344.db2.gz DGACQUFTLPOJES-UHFFFAOYSA-N 1 2 370.254 3.592 20 30 FHEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000027735114 947657698 /nfs/dbraw/zinc/65/76/98/947657698.db2.gz BMGCUAZCQOREIG-CQSZACIVSA-N 1 2 363.889 3.512 20 30 FHEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000027735114 947657705 /nfs/dbraw/zinc/65/77/05/947657705.db2.gz BMGCUAZCQOREIG-CQSZACIVSA-N 1 2 363.889 3.512 20 30 FHEDLO C[C@@H](c1cccc(NC(=O)Nc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000520552949 948275761 /nfs/dbraw/zinc/27/57/61/948275761.db2.gz SIMVPVPSMXKLGZ-HNNXBMFYSA-N 1 2 350.422 3.595 20 30 FHEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3cccc(OC)c3)C2)cc(OC)c1O ZINC000093079772 948479339 /nfs/dbraw/zinc/47/93/39/948479339.db2.gz QDQRFUAHLMYXCA-NRFANRHFSA-N 1 2 369.461 3.711 20 30 FHEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3cccc(OC)c3)C2)cc(OC)c1O ZINC000093079772 948479341 /nfs/dbraw/zinc/47/93/41/948479341.db2.gz QDQRFUAHLMYXCA-NRFANRHFSA-N 1 2 369.461 3.711 20 30 FHEDLO C[C@H]([NH2+]Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ccc(C#N)s1 ZINC000359907071 210198056 /nfs/dbraw/zinc/19/80/56/210198056.db2.gz WTMJHCUQMBDOAS-ONGXEEELSA-N 1 2 355.389 3.502 20 30 FHEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000568077736 567860236 /nfs/dbraw/zinc/86/02/36/567860236.db2.gz NELWNZMQDFJINM-UHFFFAOYSA-N 1 2 358.401 3.635 20 30 FHEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858692 568003096 /nfs/dbraw/zinc/00/30/96/568003096.db2.gz UQVWIFVJXRMBRA-ROUUACIJSA-N 1 2 370.541 3.790 20 30 FHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602884029 568005204 /nfs/dbraw/zinc/00/52/04/568005204.db2.gz ZGSVYTFUDJTXJI-WMLDXEAASA-N 1 2 369.494 3.580 20 30 FHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602884029 568005206 /nfs/dbraw/zinc/00/52/06/568005206.db2.gz ZGSVYTFUDJTXJI-WMLDXEAASA-N 1 2 369.494 3.580 20 30 FHEDLO COc1ccc(N(C(C)=O)c2nc(C[NH2+]CC(C)(C)CC#N)cs2)cc1 ZINC000602691223 568015394 /nfs/dbraw/zinc/01/53/94/568015394.db2.gz OQIABNFLOUGCGJ-UHFFFAOYSA-N 1 2 372.494 3.866 20 30 FHEDLO N#CCSc1ccccc1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000024715541 568021623 /nfs/dbraw/zinc/02/16/23/568021623.db2.gz WLOYYVPLGOUWTG-UHFFFAOYSA-N 1 2 354.460 3.681 20 30 FHEDLO COc1cccc(Oc2ccc(C[NH2+]Cc3nc(C#N)cs3)cn2)c1 ZINC000568333342 568025416 /nfs/dbraw/zinc/02/54/16/568025416.db2.gz VLDDBGXBFPHBCB-UHFFFAOYSA-N 1 2 352.419 3.500 20 30 FHEDLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000602779942 568038676 /nfs/dbraw/zinc/03/86/76/568038676.db2.gz CRLCINHMLFZELO-IAGOWNOFSA-N 1 2 355.463 3.592 20 30 FHEDLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000602779942 568038677 /nfs/dbraw/zinc/03/86/77/568038677.db2.gz CRLCINHMLFZELO-IAGOWNOFSA-N 1 2 355.463 3.592 20 30 FHEDLO N#Cc1csc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000568455395 568039750 /nfs/dbraw/zinc/03/97/50/568039750.db2.gz JITTTYZHXXTRLX-ZDUSSCGKSA-N 1 2 369.425 3.583 20 30 FHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000568455395 568039751 /nfs/dbraw/zinc/03/97/51/568039751.db2.gz JITTTYZHXXTRLX-ZDUSSCGKSA-N 1 2 369.425 3.583 20 30 FHEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000120373821 568071096 /nfs/dbraw/zinc/07/10/96/568071096.db2.gz ZMXUOYMBFLIYJQ-GOSISDBHSA-N 1 2 353.422 3.552 20 30 FHEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000120373821 568071097 /nfs/dbraw/zinc/07/10/97/568071097.db2.gz ZMXUOYMBFLIYJQ-GOSISDBHSA-N 1 2 353.422 3.552 20 30 FHEDLO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1F ZINC000604493289 568303930 /nfs/dbraw/zinc/30/39/30/568303930.db2.gz FOASCHZIVRZYKJ-UHFFFAOYSA-N 1 2 353.441 3.985 20 30 FHEDLO CCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1F ZINC000604493289 568303931 /nfs/dbraw/zinc/30/39/31/568303931.db2.gz FOASCHZIVRZYKJ-UHFFFAOYSA-N 1 2 353.441 3.985 20 30 FHEDLO C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc2c(c1)OCO2 ZINC000051828950 568304789 /nfs/dbraw/zinc/30/47/89/568304789.db2.gz ZKNGECVOGAPVBU-UHFFFAOYSA-N 1 2 371.418 3.852 20 30 FHEDLO C[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc2c(c1)OCO2 ZINC000051828950 568304790 /nfs/dbraw/zinc/30/47/90/568304790.db2.gz ZKNGECVOGAPVBU-UHFFFAOYSA-N 1 2 371.418 3.852 20 30 FHEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000609484426 568344607 /nfs/dbraw/zinc/34/46/07/568344607.db2.gz BWDDVMWHSIHXAC-MRXNPFEDSA-N 1 2 356.297 3.538 20 30 FHEDLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1F ZINC000182000570 568373690 /nfs/dbraw/zinc/37/36/90/568373690.db2.gz PTIUEYFUZPRZGI-LBPRGKRZSA-N 1 2 352.369 3.607 20 30 FHEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cn2c1 ZINC000569400041 568400789 /nfs/dbraw/zinc/40/07/89/568400789.db2.gz NGPPJMASOYCUNR-UHFFFAOYSA-N 1 2 373.338 3.855 20 30 FHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000277848760 571327714 /nfs/dbraw/zinc/32/77/14/571327714.db2.gz SPMXWMRYJMMOFK-LBPRGKRZSA-N 1 2 352.335 3.819 20 30 FHEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000277848760 571327715 /nfs/dbraw/zinc/32/77/15/571327715.db2.gz SPMXWMRYJMMOFK-LBPRGKRZSA-N 1 2 352.335 3.819 20 30 FHEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000823958140 607843198 /nfs/dbraw/zinc/84/31/98/607843198.db2.gz DVWDOQQLRMHYHH-UHFFFAOYSA-N 1 2 362.224 3.592 20 30 FHEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3ccsc3)CC2)C1=O ZINC000186958157 927612884 /nfs/dbraw/zinc/61/28/84/927612884.db2.gz GNONWMCSNCYURV-INIZCTEOSA-N 1 2 357.504 3.666 20 30 FHEDLO O=C1c2cccc(Br)c2OC/C1=C/c1cccc2[nH+]ccn21 ZINC000254925330 928244168 /nfs/dbraw/zinc/24/41/68/928244168.db2.gz IVQNWUHZIFHULM-LUAWRHEFSA-N 1 2 355.191 3.756 20 30 FHEDLO COC(=O)c1cccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1C#N ZINC000535962025 937237613 /nfs/dbraw/zinc/23/76/13/937237613.db2.gz CTRAGHNSYHABNG-UHFFFAOYSA-N 1 2 367.424 3.560 20 30 FHEDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc(C(=O)OC)c1C#N)CCC2 ZINC000535962436 937241347 /nfs/dbraw/zinc/24/13/47/937241347.db2.gz DFQMMZCHRYGGSH-QGZVFWFLSA-N 1 2 369.490 3.873 20 30 FHEDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc(C(=O)OC)c1C#N)CCC2 ZINC000535962436 937241349 /nfs/dbraw/zinc/24/13/49/937241349.db2.gz DFQMMZCHRYGGSH-QGZVFWFLSA-N 1 2 369.490 3.873 20 30 FHEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000610330986 929980832 /nfs/dbraw/zinc/98/08/32/929980832.db2.gz ASHCVNFBYHXTIT-CQSZACIVSA-N 1 2 363.343 3.643 20 30 FHEDLO C[C@@H](c1cccc(NC(=O)N2CCC(CCC#N)CC2)c1)[NH+]1CCOCC1 ZINC000580189283 930348244 /nfs/dbraw/zinc/34/82/44/930348244.db2.gz LGWJLKFYUROPHS-KRWDZBQOSA-N 1 2 370.497 3.627 20 30 FHEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1cc2c(cc1Br)OCCO2 ZINC000160456115 930480599 /nfs/dbraw/zinc/48/05/99/930480599.db2.gz VNFUFZCRUQZEJU-LBPRGKRZSA-N 1 2 373.250 3.943 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)s1 ZINC000119179016 930814324 /nfs/dbraw/zinc/81/43/24/930814324.db2.gz NUWNVFGYGCTVMC-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)s1 ZINC000119179016 930814331 /nfs/dbraw/zinc/81/43/31/930814331.db2.gz NUWNVFGYGCTVMC-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000156986033 931756872 /nfs/dbraw/zinc/75/68/72/931756872.db2.gz LIJZXOCTGCJWAB-KZULUSFZSA-N 1 2 355.413 3.929 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000156986033 931756880 /nfs/dbraw/zinc/75/68/80/931756880.db2.gz LIJZXOCTGCJWAB-KZULUSFZSA-N 1 2 355.413 3.929 20 30 FHEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000510382753 931815754 /nfs/dbraw/zinc/81/57/54/931815754.db2.gz AACZECFYUFFCPM-AWEZNQCLSA-N 1 2 373.909 3.872 20 30 FHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610504938 932022604 /nfs/dbraw/zinc/02/26/04/932022604.db2.gz MAHQQLQDQMYGOC-NEKRLJHISA-N 1 2 357.473 3.892 20 30 FHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610504938 932022610 /nfs/dbraw/zinc/02/26/10/932022610.db2.gz MAHQQLQDQMYGOC-NEKRLJHISA-N 1 2 357.473 3.892 20 30 FHEDLO N#Cc1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000581432176 932061668 /nfs/dbraw/zinc/06/16/68/932061668.db2.gz MSVKFLGXBTYHJX-MRXNPFEDSA-N 1 2 357.435 3.709 20 30 FHEDLO N#Cc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000581432176 932061675 /nfs/dbraw/zinc/06/16/75/932061675.db2.gz MSVKFLGXBTYHJX-MRXNPFEDSA-N 1 2 357.435 3.709 20 30 FHEDLO N#Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1Cl ZINC000581528254 932214417 /nfs/dbraw/zinc/21/44/17/932214417.db2.gz AJLRJFDHDZAWID-UHFFFAOYSA-N 1 2 368.868 3.764 20 30 FHEDLO COc1cccc([C@H](C/N=C\c2cc([N+](=O)[O-])ccc2O)[NH+]2CCCC2)c1 ZINC000255318555 932236296 /nfs/dbraw/zinc/23/62/96/932236296.db2.gz HENBMGXMCHSKJZ-IAFWPLRWSA-N 1 2 369.421 3.565 20 30 FHEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)s1 ZINC000126737336 932421523 /nfs/dbraw/zinc/42/15/23/932421523.db2.gz LPCSFQJMCHXBIB-UHFFFAOYSA-N 1 2 369.259 3.516 20 30 FHEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cc(Br)ccc2F)s1 ZINC000126737336 932421530 /nfs/dbraw/zinc/42/15/30/932421530.db2.gz LPCSFQJMCHXBIB-UHFFFAOYSA-N 1 2 369.259 3.516 20 30 FHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(OCc4nccn4C)cc3)c[nH+]c12 ZINC000255372210 932856437 /nfs/dbraw/zinc/85/64/37/932856437.db2.gz CUEQQLSIMCHSAJ-YFHOEESVSA-N 1 2 372.428 3.851 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000187467235 932893270 /nfs/dbraw/zinc/89/32/70/932893270.db2.gz ZUZXPMGQTIIONN-INIZCTEOSA-N 1 2 365.658 3.797 20 30 FHEDLO C[C@@H](c1cccc(Br)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000178325891 933219875 /nfs/dbraw/zinc/21/98/75/933219875.db2.gz SJNLJOJRURSWRM-AWEZNQCLSA-N 1 2 371.282 3.599 20 30 FHEDLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000510561202 933225957 /nfs/dbraw/zinc/22/59/57/933225957.db2.gz VIQGMBBJWXBYLU-RTWAWAEBSA-N 1 2 368.525 3.600 20 30 FHEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C2CC2)c1 ZINC000933837216 933675267 /nfs/dbraw/zinc/67/52/67/933675267.db2.gz RBGBJKCDMMPUMJ-UHFFFAOYSA-N 1 2 361.449 3.753 20 30 FHEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000510797801 933744302 /nfs/dbraw/zinc/74/43/02/933744302.db2.gz QKAUPNVVGSSFRI-UHFFFAOYSA-N 1 2 371.322 3.923 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361718 934024052 /nfs/dbraw/zinc/02/40/52/934024052.db2.gz VGCUALRZINNDMH-MRXNPFEDSA-N 1 2 365.495 3.729 20 30 FHEDLO C=CC[N@H+](Cc1ccc(-c2cccc(F)c2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361718 934024059 /nfs/dbraw/zinc/02/40/59/934024059.db2.gz VGCUALRZINNDMH-MRXNPFEDSA-N 1 2 365.495 3.729 20 30 FHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]32)c1C#N ZINC000610762601 934119305 /nfs/dbraw/zinc/11/93/05/934119305.db2.gz BGAVOMDOXVYTAY-LPHOPBHVSA-N 1 2 354.498 3.905 20 30 FHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]32)c1C#N ZINC000610762601 934119308 /nfs/dbraw/zinc/11/93/08/934119308.db2.gz BGAVOMDOXVYTAY-LPHOPBHVSA-N 1 2 354.498 3.905 20 30 FHEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000510949482 934213783 /nfs/dbraw/zinc/21/37/83/934213783.db2.gz RIYZCEWUPGEGJF-RYUDHWBXSA-N 1 2 372.271 3.887 20 30 FHEDLO N#Cc1c(F)ccc(CNc2cc(CSCCO)cc[nH+]2)c1Cl ZINC000277080175 934488323 /nfs/dbraw/zinc/48/83/23/934488323.db2.gz UFHWETBTAOOVIF-UHFFFAOYSA-N 1 2 351.834 3.583 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)c(C#N)c1C ZINC000610967681 934663605 /nfs/dbraw/zinc/66/36/05/934663605.db2.gz QGVWIKHOPWICQP-HXUWFJFHSA-N 1 2 351.450 3.962 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(C)C)c(C#N)c1C ZINC000610967681 934663609 /nfs/dbraw/zinc/66/36/09/934663609.db2.gz QGVWIKHOPWICQP-HXUWFJFHSA-N 1 2 351.450 3.962 20 30 FHEDLO C=C(C)[C@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)OCC ZINC000535883783 934698457 /nfs/dbraw/zinc/69/84/57/934698457.db2.gz WLUTXSZCUUNDBG-HOCLYGCPSA-N 1 2 351.516 3.685 20 30 FHEDLO C=C(C)[C@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)OCC ZINC000535883783 934698458 /nfs/dbraw/zinc/69/84/58/934698458.db2.gz WLUTXSZCUUNDBG-HOCLYGCPSA-N 1 2 351.516 3.685 20 30 FHEDLO CCc1cccc(NC(=O)C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1 ZINC000329031140 934919202 /nfs/dbraw/zinc/91/92/02/934919202.db2.gz LJNUOYXIGHYNNJ-UHFFFAOYSA-N 1 2 357.498 3.704 20 30 FHEDLO CCc1cccc(NC(=O)C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1 ZINC000329031140 934919206 /nfs/dbraw/zinc/91/92/06/934919206.db2.gz LJNUOYXIGHYNNJ-UHFFFAOYSA-N 1 2 357.498 3.704 20 30 FHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000582043295 935163066 /nfs/dbraw/zinc/16/30/66/935163066.db2.gz YADZTFPZEMSWSI-LJQANCHMSA-N 1 2 366.852 3.864 20 30 FHEDLO N#Cc1cccc(C2([NH2+]Cc3ccn(-c4ccc(F)cc4F)n3)CC2)c1 ZINC000518146623 945081867 /nfs/dbraw/zinc/08/18/67/945081867.db2.gz ZEWLUJZEYKFQPK-UHFFFAOYSA-N 1 2 350.372 3.801 20 30 FHEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000157855406 935213217 /nfs/dbraw/zinc/21/32/17/935213217.db2.gz RBHSBSAZHRDWOV-QAPCUYQASA-N 1 2 367.453 3.657 20 30 FHEDLO CC[C@@](C)(C#N)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000375680985 935428840 /nfs/dbraw/zinc/42/88/40/935428840.db2.gz TWGSZHAFVFMCAJ-IBGZPJMESA-N 1 2 354.479 3.580 20 30 FHEDLO CC[C@@](C)(C#N)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000375680985 935428845 /nfs/dbraw/zinc/42/88/45/935428845.db2.gz TWGSZHAFVFMCAJ-IBGZPJMESA-N 1 2 354.479 3.580 20 30 FHEDLO CC(C)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1F ZINC000478417753 935624157 /nfs/dbraw/zinc/62/41/57/935624157.db2.gz NZTCYROIMRDMCK-UHFFFAOYSA-N 1 2 374.481 3.629 20 30 FHEDLO CC(C)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1F ZINC000478417753 935624160 /nfs/dbraw/zinc/62/41/60/935624160.db2.gz NZTCYROIMRDMCK-UHFFFAOYSA-N 1 2 374.481 3.629 20 30 FHEDLO NC(=[NH+]OCc1nccs1)c1ccc(COc2ccccc2F)cc1 ZINC000161292303 935777741 /nfs/dbraw/zinc/77/77/41/935777741.db2.gz UXHAAPWXRKANJB-UHFFFAOYSA-N 1 2 357.410 3.698 20 30 FHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000158535943 935835819 /nfs/dbraw/zinc/83/58/19/935835819.db2.gz RWHGANBOKANHOH-UHFFFAOYSA-N 1 2 372.831 3.596 20 30 FHEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127939069 935851647 /nfs/dbraw/zinc/85/16/47/935851647.db2.gz NLPGXTIHGFBEAX-IBGZPJMESA-N 1 2 374.387 3.612 20 30 FHEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127939069 935851651 /nfs/dbraw/zinc/85/16/51/935851651.db2.gz NLPGXTIHGFBEAX-IBGZPJMESA-N 1 2 374.387 3.612 20 30 FHEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc(Br)c(C#N)cc1F ZINC000563423344 935904996 /nfs/dbraw/zinc/90/49/96/935904996.db2.gz GLHPSDNUNSZLBV-UHFFFAOYSA-N 1 2 363.234 3.629 20 30 FHEDLO Cc1nc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)sc1C ZINC000176343756 935916362 /nfs/dbraw/zinc/91/63/62/935916362.db2.gz OYNPVNKQNROYCY-UHFFFAOYSA-N 1 2 363.490 3.502 20 30 FHEDLO O=C(Nc1ccccc1)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135175540 935921949 /nfs/dbraw/zinc/92/19/49/935921949.db2.gz NNTVBFFTFFHBCZ-UHFFFAOYSA-N 1 2 367.880 3.978 20 30 FHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)c1C#N ZINC000548754507 935966543 /nfs/dbraw/zinc/96/65/43/935966543.db2.gz QKLIOCLWHPKSOO-STQMWFEESA-N 1 2 354.429 3.526 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC3C[C@@H]4CC1C[C@H](C3)C4)C2 ZINC000329311392 938346110 /nfs/dbraw/zinc/34/61/10/938346110.db2.gz ZSFSROKWQVEHKR-MTCSXPRVSA-N 1 2 370.541 3.920 20 30 FHEDLO CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000158172810 938486479 /nfs/dbraw/zinc/48/64/79/938486479.db2.gz IVQLPLLDJVYKRX-GOSISDBHSA-N 1 2 363.465 3.673 20 30 FHEDLO N#C[C@@H]1CC[C@@H](Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC000278568486 938542521 /nfs/dbraw/zinc/54/25/21/938542521.db2.gz NGGVOUXWEQOECC-QZTJIDSGSA-N 1 2 367.522 3.707 20 30 FHEDLO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000329730278 938655358 /nfs/dbraw/zinc/65/53/58/938655358.db2.gz GDCQYBHPPAPQFU-GUYCJALGSA-N 1 2 357.458 3.655 20 30 FHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000480510611 938966185 /nfs/dbraw/zinc/96/61/85/938966185.db2.gz AAMKKJMSNPEDGA-UHFFFAOYSA-N 1 2 350.853 3.796 20 30 FHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000480510611 938966188 /nfs/dbraw/zinc/96/61/88/938966188.db2.gz AAMKKJMSNPEDGA-UHFFFAOYSA-N 1 2 350.853 3.796 20 30 FHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000413838687 940172338 /nfs/dbraw/zinc/17/23/38/940172338.db2.gz SLZDNBVQMGCFDI-SFHVURJKSA-N 1 2 352.482 3.548 20 30 FHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000413837020 940175213 /nfs/dbraw/zinc/17/52/13/940175213.db2.gz QDUNHVCOGCRBPG-UXHICEINSA-N 1 2 366.509 3.572 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(OCCCC#N)c1)C2 ZINC000376232764 940497575 /nfs/dbraw/zinc/49/75/75/940497575.db2.gz PMCYLCXPFSJFBZ-HNNXBMFYSA-N 1 2 366.465 3.959 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)CC2 ZINC000376232764 940497576 /nfs/dbraw/zinc/49/75/76/940497576.db2.gz PMCYLCXPFSJFBZ-HNNXBMFYSA-N 1 2 366.465 3.959 20 30 FHEDLO CC(C)(C)O[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000309329637 940500401 /nfs/dbraw/zinc/50/04/01/940500401.db2.gz ITYGHUJTZHAIMZ-UHFFFAOYSA-N 1 2 350.054 3.943 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000173422083 940618219 /nfs/dbraw/zinc/61/82/19/940618219.db2.gz HDZCOAIIPLIJNV-CYBMUJFWSA-N 1 2 374.535 3.858 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000330103111 945357791 /nfs/dbraw/zinc/35/77/91/945357791.db2.gz GMMQECSPVDICIO-FIKGOQFSSA-N 1 2 360.498 3.536 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000330103111 945357803 /nfs/dbraw/zinc/35/78/03/945357803.db2.gz GMMQECSPVDICIO-FIKGOQFSSA-N 1 2 360.498 3.536 20 30 FHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000189140340 941147257 /nfs/dbraw/zinc/14/72/57/941147257.db2.gz JXYJBCJDALLUGH-INIZCTEOSA-N 1 2 365.502 3.557 20 30 FHEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)cc1 ZINC000549180346 941595936 /nfs/dbraw/zinc/59/59/36/941595936.db2.gz MKTKNMSIHKFSAG-ICSRJNTNSA-N 1 2 374.843 3.522 20 30 FHEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)cc1 ZINC000549180346 941595939 /nfs/dbraw/zinc/59/59/39/941595939.db2.gz MKTKNMSIHKFSAG-ICSRJNTNSA-N 1 2 374.843 3.522 20 30 FHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)c(F)ccc1OCC)C2 ZINC001143493662 941666586 /nfs/dbraw/zinc/66/65/86/941666586.db2.gz LBWLGZSVQPEGKN-MGPUTAFESA-N 1 2 367.436 3.690 20 30 FHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)c(F)ccc1OCC)C2 ZINC001143493662 941666587 /nfs/dbraw/zinc/66/65/87/941666587.db2.gz LBWLGZSVQPEGKN-MGPUTAFESA-N 1 2 367.436 3.690 20 30 FHEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccsc1 ZINC000421009647 942290642 /nfs/dbraw/zinc/29/06/42/942290642.db2.gz NGTGNFNAYOVBIV-HNNXBMFYSA-N 1 2 362.520 3.865 20 30 FHEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccsc1 ZINC000421009647 942290646 /nfs/dbraw/zinc/29/06/46/942290646.db2.gz NGTGNFNAYOVBIV-HNNXBMFYSA-N 1 2 362.520 3.865 20 30 FHEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1ccsc1 ZINC000421000345 942297047 /nfs/dbraw/zinc/29/70/47/942297047.db2.gz DDGRYZWSDGRBNR-OAHLLOKOSA-N 1 2 362.520 3.865 20 30 FHEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1ccsc1 ZINC000421000345 942297052 /nfs/dbraw/zinc/29/70/52/942297052.db2.gz DDGRYZWSDGRBNR-OAHLLOKOSA-N 1 2 362.520 3.865 20 30 FHEDLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccc(C#N)cc2OC)cc1 ZINC000501235421 942363493 /nfs/dbraw/zinc/36/34/93/942363493.db2.gz DGGOWUUHANOFSO-MRXNPFEDSA-N 1 2 365.477 3.568 20 30 FHEDLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccc(C#N)cc2OC)cc1 ZINC000501235421 942363496 /nfs/dbraw/zinc/36/34/96/942363496.db2.gz DGGOWUUHANOFSO-MRXNPFEDSA-N 1 2 365.477 3.568 20 30 FHEDLO CC[C@](C)(C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000505308335 942469055 /nfs/dbraw/zinc/46/90/55/942469055.db2.gz PFPOZLXEONJGFP-CRAIPNDOSA-N 1 2 351.853 3.672 20 30 FHEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502553150 942536266 /nfs/dbraw/zinc/53/62/66/942536266.db2.gz KFNYHJCQKMUYTO-QGZVFWFLSA-N 1 2 355.445 3.989 20 30 FHEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502553150 942536268 /nfs/dbraw/zinc/53/62/68/942536268.db2.gz KFNYHJCQKMUYTO-QGZVFWFLSA-N 1 2 355.445 3.989 20 30 FHEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(F)(c3ccccc3)CC2)C1=O ZINC000434502272 942727581 /nfs/dbraw/zinc/72/75/81/942727581.db2.gz JNBPVMCSFZCOPT-QGZVFWFLSA-N 1 2 369.465 3.686 20 30 FHEDLO CCCCCCCCCCC(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001269832285 942841409 /nfs/dbraw/zinc/84/14/09/942841409.db2.gz MACJQSGJZOGBTP-UHFFFAOYSA-N 1 2 368.562 3.672 20 30 FHEDLO CCCCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001269832285 942841410 /nfs/dbraw/zinc/84/14/10/942841410.db2.gz MACJQSGJZOGBTP-UHFFFAOYSA-N 1 2 368.562 3.672 20 30 FHEDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000502902594 942843057 /nfs/dbraw/zinc/84/30/57/942843057.db2.gz DJXCVYBBVUMAGX-SANMLTNESA-N 1 2 366.530 3.729 20 30 FHEDLO CC1(C)C[S@@](=O)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000502902594 942843061 /nfs/dbraw/zinc/84/30/61/942843061.db2.gz DJXCVYBBVUMAGX-SANMLTNESA-N 1 2 366.530 3.729 20 30 FHEDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000502935378 942853216 /nfs/dbraw/zinc/85/32/16/942853216.db2.gz MHRICQVZKPGDQZ-NRFANRHFSA-N 1 2 362.408 3.987 20 30 FHEDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000502935378 942853221 /nfs/dbraw/zinc/85/32/21/942853221.db2.gz MHRICQVZKPGDQZ-NRFANRHFSA-N 1 2 362.408 3.987 20 30 FHEDLO N#CC1(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000434903656 943040962 /nfs/dbraw/zinc/04/09/62/943040962.db2.gz KBBQUUDGQOGINT-UHFFFAOYSA-N 1 2 357.885 3.772 20 30 FHEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000434903656 943040971 /nfs/dbraw/zinc/04/09/71/943040971.db2.gz KBBQUUDGQOGINT-UHFFFAOYSA-N 1 2 357.885 3.772 20 30 FHEDLO Cc1ccccc1-c1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000434985131 943085939 /nfs/dbraw/zinc/08/59/39/943085939.db2.gz GKSKQPZSDQZMOS-UHFFFAOYSA-N 1 2 363.505 3.710 20 30 FHEDLO Cc1cc(Nc2ncc([N+](=O)[O-])cc2C#N)c[nH+]c1N1CCCC[C@H]1C ZINC000503273841 943094889 /nfs/dbraw/zinc/09/48/89/943094889.db2.gz FQRUWYTXDLKTHN-CYBMUJFWSA-N 1 2 352.398 3.687 20 30 FHEDLO CC1(C#N)CCN(c2nc(N3CCC(C)(C#N)CC3)c3ccccc3[nH+]2)CC1 ZINC000272559593 943177386 /nfs/dbraw/zinc/17/73/86/943177386.db2.gz VFMHDIBVQMLSKW-UHFFFAOYSA-N 1 2 374.492 3.890 20 30 FHEDLO COc1cccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)c1OC ZINC000272604611 943185026 /nfs/dbraw/zinc/18/50/26/943185026.db2.gz RIKFFJCEDYVCKQ-UHFFFAOYSA-N 1 2 357.479 3.953 20 30 FHEDLO Cc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000513792077 943273582 /nfs/dbraw/zinc/27/35/82/943273582.db2.gz ZPIFTQXQCHMYHK-KRWDZBQOSA-N 1 2 356.491 3.642 20 30 FHEDLO Cc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000513792077 943273586 /nfs/dbraw/zinc/27/35/86/943273586.db2.gz ZPIFTQXQCHMYHK-KRWDZBQOSA-N 1 2 356.491 3.642 20 30 FHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075297992 943401693 /nfs/dbraw/zinc/40/16/93/943401693.db2.gz YBGHMURRGMMQDY-RTWAWAEBSA-N 1 2 356.429 3.784 20 30 FHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075297994 943430125 /nfs/dbraw/zinc/43/01/25/943430125.db2.gz YBGHMURRGMMQDY-NHCUHLMSSA-N 1 2 356.429 3.784 20 30 FHEDLO CC(C)(C#N)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000504768516 943776160 /nfs/dbraw/zinc/77/61/60/943776160.db2.gz JMOPGQJWUWGGHB-UHFFFAOYSA-N 1 2 358.445 3.764 20 30 FHEDLO OC[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1C(F)(F)F ZINC000289939125 943851637 /nfs/dbraw/zinc/85/16/37/943851637.db2.gz YGHKVRRQAKKNJW-JQWIXIFHSA-N 1 2 359.285 3.837 20 30 FHEDLO OC[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1C(F)(F)F ZINC000289939125 943851642 /nfs/dbraw/zinc/85/16/42/943851642.db2.gz YGHKVRRQAKKNJW-JQWIXIFHSA-N 1 2 359.285 3.837 20 30 FHEDLO CC(C)(C)c1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000506098840 944028468 /nfs/dbraw/zinc/02/84/68/944028468.db2.gz KEYDULWABLVQPM-UHFFFAOYSA-N 1 2 354.523 3.630 20 30 FHEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425529379 944264630 /nfs/dbraw/zinc/26/46/30/944264630.db2.gz BKZKMLCAZUIRLZ-OAHLLOKOSA-N 1 2 367.449 3.556 20 30 FHEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425529379 944264639 /nfs/dbraw/zinc/26/46/39/944264639.db2.gz BKZKMLCAZUIRLZ-OAHLLOKOSA-N 1 2 367.449 3.556 20 30 FHEDLO Cc1sc2nc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)nc(N)c2c1C ZINC000425542580 944288688 /nfs/dbraw/zinc/28/86/88/944288688.db2.gz YJFJJVVEFFMPLN-GFCCVEGCSA-N 1 2 351.479 3.955 20 30 FHEDLO Cc1sc2nc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)nc(N)c2c1C ZINC000425542580 944288695 /nfs/dbraw/zinc/28/86/95/944288695.db2.gz YJFJJVVEFFMPLN-GFCCVEGCSA-N 1 2 351.479 3.955 20 30 FHEDLO Cc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)nn1-c1cccc(C#N)c1 ZINC000506184031 944390530 /nfs/dbraw/zinc/39/05/30/944390530.db2.gz UTJJDQFXCZQDEF-UHFFFAOYSA-N 1 2 368.400 3.695 20 30 FHEDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc(C#N)cc1Cl ZINC000439436442 944614304 /nfs/dbraw/zinc/61/43/04/944614304.db2.gz GJCQBMICMHKQDM-UHFFFAOYSA-N 1 2 357.841 3.562 20 30 FHEDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1Cl ZINC000439436442 944614309 /nfs/dbraw/zinc/61/43/09/944614309.db2.gz GJCQBMICMHKQDM-UHFFFAOYSA-N 1 2 357.841 3.562 20 30 FHEDLO Cn1cc([C@H]([NH2+]Cc2ccc(C#N)cc2Cl)c2ccc(F)cc2)cn1 ZINC000439437598 944614938 /nfs/dbraw/zinc/61/49/38/944614938.db2.gz ZJTAHYFHOPDKFP-LJQANCHMSA-N 1 2 354.816 3.963 20 30 FHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509602581 944748462 /nfs/dbraw/zinc/74/84/62/944748462.db2.gz JHIFEZHPDPELJI-UHFFFAOYSA-N 1 2 360.417 3.843 20 30 FHEDLO CCc1c(C)sc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1C#N ZINC000518803026 944783520 /nfs/dbraw/zinc/78/35/20/944783520.db2.gz DMRFFNXXWBGZDA-UHFFFAOYSA-N 1 2 350.447 3.988 20 30 FHEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)s1 ZINC000426067837 944790525 /nfs/dbraw/zinc/79/05/25/944790525.db2.gz VIHVXKAIBJKSQT-AWEZNQCLSA-N 1 2 373.909 3.721 20 30 FHEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000500404780 944791186 /nfs/dbraw/zinc/79/11/86/944791186.db2.gz RTYZZCKCXVLKHN-GOSISDBHSA-N 1 2 363.383 3.897 20 30 FHEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000500404780 944791196 /nfs/dbraw/zinc/79/11/96/944791196.db2.gz RTYZZCKCXVLKHN-GOSISDBHSA-N 1 2 363.383 3.897 20 30 FHEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)OCC ZINC000534467066 944971419 /nfs/dbraw/zinc/97/14/19/944971419.db2.gz YCZZWNKSLKXJHG-JENIJYKNSA-N 1 2 368.880 3.712 20 30 FHEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)OCC ZINC000534467066 944971425 /nfs/dbraw/zinc/97/14/25/944971425.db2.gz YCZZWNKSLKXJHG-JENIJYKNSA-N 1 2 368.880 3.712 20 30 FHEDLO Cc1cc(C)cc(C2=CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330192008 945397494 /nfs/dbraw/zinc/39/74/94/945397494.db2.gz NKXCTTAWZADCNH-LJQANCHMSA-N 1 2 350.466 3.518 20 30 FHEDLO Cc1cnn(CC2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)c1 ZINC000330234965 945415872 /nfs/dbraw/zinc/41/58/72/945415872.db2.gz SYEHDHHDLNWVEB-UHFFFAOYSA-N 1 2 371.510 3.742 20 30 FHEDLO CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1cn2c([nH+]1)CCCC2 ZINC000330243507 945420477 /nfs/dbraw/zinc/42/04/77/945420477.db2.gz JUGJTHNJABAUFE-UHFFFAOYSA-N 1 2 356.514 3.577 20 30 FHEDLO CN(C[C@H]1CCCO1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330251095 945425363 /nfs/dbraw/zinc/42/53/63/945425363.db2.gz NFWAGSPNZOSPFU-GOSISDBHSA-N 1 2 354.454 3.543 20 30 FHEDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(Oc2ccccc2)c1 ZINC000125021889 945478710 /nfs/dbraw/zinc/47/87/10/945478710.db2.gz HLKJMIBJDROSAZ-JOCHJYFZSA-N 1 2 371.440 3.975 20 30 FHEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330321729 945564198 /nfs/dbraw/zinc/56/41/98/945564198.db2.gz GFQMJOLEMAGCCO-LXZKKBNFSA-N 1 2 362.474 3.522 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2SCCc3ccccc32)CCO1 ZINC000330326141 945566164 /nfs/dbraw/zinc/56/61/64/945566164.db2.gz JXAKXFFCMYOZNV-FHLIZLRMSA-N 1 2 357.479 3.627 20 30 FHEDLO Cc1cc2cccnc2c(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330329874 945568840 /nfs/dbraw/zinc/56/88/40/945568840.db2.gz MWLZECMHGMFEOI-QAPCUYQASA-N 1 2 365.437 3.523 20 30 FHEDLO CCc1ccc(CC)c(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330344574 945634523 /nfs/dbraw/zinc/63/45/23/945634523.db2.gz DCSATJVYXDGVIB-VQIMIIECSA-N 1 2 356.470 3.791 20 30 FHEDLO N#CCC[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000519813452 945778231 /nfs/dbraw/zinc/77/82/31/945778231.db2.gz AURWWSCMXOLKAD-OAQYLSRUSA-N 1 2 358.445 3.635 20 30 FHEDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000519907506 945872343 /nfs/dbraw/zinc/87/23/43/945872343.db2.gz CSLYMQFMNXCVIZ-FOIQADDNSA-N 1 2 363.461 3.555 20 30 FHEDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000519907506 945872353 /nfs/dbraw/zinc/87/23/53/945872353.db2.gz CSLYMQFMNXCVIZ-FOIQADDNSA-N 1 2 363.461 3.555 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441015409 946117263 /nfs/dbraw/zinc/11/72/63/946117263.db2.gz KLQRFTWRXXMULF-OAHLLOKOSA-N 1 2 358.482 3.849 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441015409 946117271 /nfs/dbraw/zinc/11/72/71/946117271.db2.gz KLQRFTWRXXMULF-OAHLLOKOSA-N 1 2 358.482 3.849 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ncc(-c4cccs4)o3)CC2)cc1 ZINC000067374990 946836183 /nfs/dbraw/zinc/83/61/83/946836183.db2.gz UBAKAYPAXZODDV-UHFFFAOYSA-N 1 2 364.474 3.593 20 30 FHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000475352054 946930243 /nfs/dbraw/zinc/93/02/43/946930243.db2.gz HIUPOCFIYOEJFE-ZBADOCLRSA-N 1 2 352.869 3.631 20 30 FHEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000523155911 946956098 /nfs/dbraw/zinc/95/60/98/946956098.db2.gz RKBGJHZQMIBESG-UHFFFAOYSA-N 1 2 355.441 3.760 20 30 FHEDLO O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328651863 946966754 /nfs/dbraw/zinc/96/67/54/946966754.db2.gz KBANIIBNURWSPY-GFCCVEGCSA-N 1 2 364.371 3.612 20 30 FHEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)Cc1cccs1 ZINC000444584155 947026898 /nfs/dbraw/zinc/02/68/98/947026898.db2.gz RPGBZROBASJZQH-UHFFFAOYSA-N 1 2 368.458 3.887 20 30 FHEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)Cc1cccs1 ZINC000444584155 947026889 /nfs/dbraw/zinc/02/68/89/947026889.db2.gz RPGBZROBASJZQH-UHFFFAOYSA-N 1 2 368.458 3.887 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCCO[C@H](C)C1 ZINC000328812986 947032999 /nfs/dbraw/zinc/03/29/99/947032999.db2.gz FULKKTMAQXIREE-ZIAGYGMSSA-N 1 2 361.511 3.976 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCCO[C@H](C)C1 ZINC000328812986 947033013 /nfs/dbraw/zinc/03/30/13/947033013.db2.gz FULKKTMAQXIREE-ZIAGYGMSSA-N 1 2 361.511 3.976 20 30 FHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1coc(C2CCCC2)n1 ZINC000328784336 947044958 /nfs/dbraw/zinc/04/49/58/947044958.db2.gz IGJQKOWQMZHJKV-UHFFFAOYSA-N 1 2 356.426 3.509 20 30 FHEDLO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000328902435 947074458 /nfs/dbraw/zinc/07/44/58/947074458.db2.gz GPKPKRRQWSSVCG-SUMWQHHRSA-N 1 2 365.437 3.551 20 30 FHEDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000328932232 947114547 /nfs/dbraw/zinc/11/45/47/947114547.db2.gz DHCHTNCONZFGNP-NRISUQOXSA-N 1 2 372.484 3.859 20 30 FHEDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000328932232 947114553 /nfs/dbraw/zinc/11/45/53/947114553.db2.gz DHCHTNCONZFGNP-NRISUQOXSA-N 1 2 372.484 3.859 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000253485190 947432659 /nfs/dbraw/zinc/43/26/59/947432659.db2.gz MPUADMWZTHAFKX-RBSFLKMASA-N 1 2 363.552 3.703 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000253485190 947432663 /nfs/dbraw/zinc/43/26/63/947432663.db2.gz MPUADMWZTHAFKX-RBSFLKMASA-N 1 2 363.552 3.703 20 30 FHEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000105032127 947775467 /nfs/dbraw/zinc/77/54/67/947775467.db2.gz ZORAVRBMPUSWML-ZDUSSCGKSA-N 1 2 357.429 3.787 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1cccc(C#N)c1 ZINC000278887506 947997904 /nfs/dbraw/zinc/99/79/04/947997904.db2.gz IMHPIAMSSVAVPC-ZJUUUORDSA-N 1 2 368.384 3.711 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2sccc2C#N)c(C)c1 ZINC000441492345 948028351 /nfs/dbraw/zinc/02/83/51/948028351.db2.gz POLXGJGCAUNGDS-QGZVFWFLSA-N 1 2 350.447 3.604 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000512149932 948559969 /nfs/dbraw/zinc/55/99/69/948559969.db2.gz UDBYHWZZSIUUMU-KRWDZBQOSA-N 1 2 356.466 3.794 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000512149932 948559974 /nfs/dbraw/zinc/55/99/74/948559974.db2.gz UDBYHWZZSIUUMU-KRWDZBQOSA-N 1 2 356.466 3.794 20 30 FHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(Br)c1 ZINC000194531900 948586338 /nfs/dbraw/zinc/58/63/38/948586338.db2.gz ZOQOEDPQMPCZGH-UHFFFAOYSA-N 1 2 362.227 3.941 20 30 FHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(Br)c1 ZINC000194531900 948586331 /nfs/dbraw/zinc/58/63/31/948586331.db2.gz ZOQOEDPQMPCZGH-UHFFFAOYSA-N 1 2 362.227 3.941 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1OC(F)F ZINC000512163685 948599834 /nfs/dbraw/zinc/59/98/34/948599834.db2.gz GVIWOJILDFNVLB-UHFFFAOYSA-N 1 2 362.376 3.823 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1OC(F)F ZINC000512163685 948599841 /nfs/dbraw/zinc/59/98/41/948599841.db2.gz GVIWOJILDFNVLB-UHFFFAOYSA-N 1 2 362.376 3.823 20 30 FHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000507802913 948648598 /nfs/dbraw/zinc/64/85/98/948648598.db2.gz XTWDTWXMLCFQDB-UHFFFAOYSA-N 1 2 360.417 3.652 20 30 FHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(F)c(C#N)c2)C[C@@H](C)O1 ZINC000279298256 948722423 /nfs/dbraw/zinc/72/24/23/948722423.db2.gz YZTSJUYUVKRNJL-HUUCEWRRSA-N 1 2 367.424 3.559 20 30 FHEDLO C=CCn1c(SCc2[nH+]ccn2Cc2ccccc2)nnc1C1CC1 ZINC000071854898 210063792 /nfs/dbraw/zinc/06/37/92/210063792.db2.gz KZSTYHGPDUUZFM-UHFFFAOYSA-N 1 2 351.479 3.879 20 30 FHEDLO COc1ccc(OC)c(C[NH+]2CCN(c3c(Cl)cccc3C#N)CC2)c1 ZINC000078601773 132190641 /nfs/dbraw/zinc/19/06/41/132190641.db2.gz XUMBPVRGDYDKRD-UHFFFAOYSA-N 1 2 371.868 3.551 20 30 FHEDLO N#CCC[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000602130955 567940457 /nfs/dbraw/zinc/94/04/57/567940457.db2.gz ZHYFTZUHJIKBER-CABCVRRESA-N 1 2 350.344 3.538 20 30 FHEDLO Cc1cc([NH2+][C@H](C)CC2(C#N)CCOCC2)ccc1-n1nnnc1C(C)C ZINC000602608986 567997372 /nfs/dbraw/zinc/99/73/72/567997372.db2.gz OKIPPWALOCNLDF-MRXNPFEDSA-N 1 2 368.485 3.605 20 30 FHEDLO C[C@H](CC#N)[NH2+]Cc1cccc(OCC(F)(F)F)c1Br ZINC000602868326 568008643 /nfs/dbraw/zinc/00/86/43/568008643.db2.gz ANXHJJBIRHSTKG-SECBINFHSA-N 1 2 351.166 3.782 20 30 FHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188638578 568031009 /nfs/dbraw/zinc/03/10/09/568031009.db2.gz HGWJUOPHFGDQTO-ZHALLVOQSA-N 1 2 368.880 3.569 20 30 FHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188638578 568031010 /nfs/dbraw/zinc/03/10/10/568031010.db2.gz HGWJUOPHFGDQTO-ZHALLVOQSA-N 1 2 368.880 3.569 20 30 FHEDLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000602779941 568038714 /nfs/dbraw/zinc/03/87/14/568038714.db2.gz CRLCINHMLFZELO-DLBZAZTESA-N 1 2 355.463 3.592 20 30 FHEDLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000602779941 568038715 /nfs/dbraw/zinc/03/87/15/568038715.db2.gz CRLCINHMLFZELO-DLBZAZTESA-N 1 2 355.463 3.592 20 30 FHEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000569000547 568266023 /nfs/dbraw/zinc/26/60/23/568266023.db2.gz LHGXYRCTIQAVJE-SWLSCSKDSA-N 1 2 364.371 3.547 20 30 FHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2ccoc2)n1 ZINC000569045957 568275895 /nfs/dbraw/zinc/27/58/95/568275895.db2.gz FCELPQZYGVBKDA-UHFFFAOYSA-N 1 2 353.447 3.923 20 30 FHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2ccoc2)n1 ZINC000569045957 568275897 /nfs/dbraw/zinc/27/58/97/568275897.db2.gz FCELPQZYGVBKDA-UHFFFAOYSA-N 1 2 353.447 3.923 20 30 FHEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000609484957 568345040 /nfs/dbraw/zinc/34/50/40/568345040.db2.gz HERZOPYNNNYRLR-FQEVSTJZSA-N 1 2 350.466 3.540 20 30 FHEDLO Cc1ccc2ncc(C#N)c(N[C@H](c3[nH+]ccn3C)c3ccccc3)c2c1 ZINC000569878802 568433168 /nfs/dbraw/zinc/43/31/68/568433168.db2.gz YCFKCNLHUDIPTP-NRFANRHFSA-N 1 2 353.429 3.772 20 30 FHEDLO COc1cc(CN2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)ccc1C#N ZINC000570471159 568482869 /nfs/dbraw/zinc/48/28/69/568482869.db2.gz UZUYSGIRYZSILR-UHFFFAOYSA-N 1 2 358.445 3.619 20 30 FHEDLO Cc1cn2cc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc2[nH+]1 ZINC000531456863 568530971 /nfs/dbraw/zinc/53/09/71/568530971.db2.gz UIZSDWFEVNMZSZ-RBUKOAKNSA-N 1 2 359.433 3.946 20 30 FHEDLO CC[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C[C@H](C)C#N ZINC000049982559 568641977 /nfs/dbraw/zinc/64/19/77/568641977.db2.gz TXQKFNXBDVXZLQ-CQSZACIVSA-N 1 2 359.857 3.698 20 30 FHEDLO CC[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C[C@H](C)C#N ZINC000049982559 568641979 /nfs/dbraw/zinc/64/19/79/568641979.db2.gz TXQKFNXBDVXZLQ-CQSZACIVSA-N 1 2 359.857 3.698 20 30 FHEDLO CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)c1 ZINC000328635702 571148730 /nfs/dbraw/zinc/14/87/30/571148730.db2.gz NPIDFTLPYCYRAW-LJQANCHMSA-N 1 2 352.482 3.570 20 30 FHEDLO CNC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)c1 ZINC000328635702 571148732 /nfs/dbraw/zinc/14/87/32/571148732.db2.gz NPIDFTLPYCYRAW-LJQANCHMSA-N 1 2 352.482 3.570 20 30 FHEDLO C=CCCn1cc(C[NH+]2CC(Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000668231466 927367409 /nfs/dbraw/zinc/36/74/09/927367409.db2.gz ZYRHMQCMOOTSHG-UHFFFAOYSA-N 1 2 350.388 3.548 20 30 FHEDLO O=C(Nc1cccnc1)/C(=C/c1cccc2[nH+]ccn21)C(=O)c1ccccc1 ZINC000254988615 928726065 /nfs/dbraw/zinc/72/60/65/928726065.db2.gz CMXHHBMUIPQECO-XMHGGMMESA-N 1 2 368.396 3.634 20 30 FHEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c(Br)c1 ZINC000134586193 929089152 /nfs/dbraw/zinc/08/91/52/929089152.db2.gz DZYRSGXKAHOOJV-UHFFFAOYSA-N 1 2 357.255 3.928 20 30 FHEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000133769926 929467748 /nfs/dbraw/zinc/46/77/48/929467748.db2.gz LJLNLULXDPWNRO-AWEZNQCLSA-N 1 2 368.799 3.952 20 30 FHEDLO C[C@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000610322055 929926077 /nfs/dbraw/zinc/92/60/77/929926077.db2.gz GLLMJNYLJMMSOD-OXJNMPFZSA-N 1 2 373.460 3.636 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000119161145 930779613 /nfs/dbraw/zinc/77/96/13/930779613.db2.gz RYAUCFDDBPLQAP-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000119161145 930779621 /nfs/dbraw/zinc/77/96/21/930779621.db2.gz RYAUCFDDBPLQAP-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000510382754 931815718 /nfs/dbraw/zinc/81/57/18/931815718.db2.gz AACZECFYUFFCPM-CQSZACIVSA-N 1 2 373.909 3.872 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505529 932026829 /nfs/dbraw/zinc/02/68/29/932026829.db2.gz NQCDRODXBSMSOX-UZLBHIALSA-N 1 2 351.425 3.908 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505529 932026838 /nfs/dbraw/zinc/02/68/38/932026838.db2.gz NQCDRODXBSMSOX-UZLBHIALSA-N 1 2 351.425 3.908 20 30 FHEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121353913 932041132 /nfs/dbraw/zinc/04/11/32/932041132.db2.gz DWBRECYIUKREDC-LJQANCHMSA-N 1 2 369.424 3.914 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(F)c1 ZINC000548423931 933605451 /nfs/dbraw/zinc/60/54/51/933605451.db2.gz ZFOMQGAYYWJBMD-ICSRJNTNSA-N 1 2 352.409 3.884 20 30 FHEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(F)c1 ZINC000548423931 933605454 /nfs/dbraw/zinc/60/54/54/933605454.db2.gz ZFOMQGAYYWJBMD-ICSRJNTNSA-N 1 2 352.409 3.884 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092360962 934023070 /nfs/dbraw/zinc/02/30/70/934023070.db2.gz PUVCXXXCCOTAQY-INIZCTEOSA-N 1 2 365.495 3.729 20 30 FHEDLO C=CC[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092360962 934023074 /nfs/dbraw/zinc/02/30/74/934023074.db2.gz PUVCXXXCCOTAQY-INIZCTEOSA-N 1 2 365.495 3.729 20 30 FHEDLO Cc1ncc2c(n1)CC[N@@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C2 ZINC000535789300 934379586 /nfs/dbraw/zinc/37/95/86/934379586.db2.gz CBAZBHLWCRFEEE-UHFFFAOYSA-N 1 2 370.456 3.794 20 30 FHEDLO Cc1ncc2c(n1)CC[N@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C2 ZINC000535789300 934379595 /nfs/dbraw/zinc/37/95/95/934379595.db2.gz CBAZBHLWCRFEEE-UHFFFAOYSA-N 1 2 370.456 3.794 20 30 FHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCOC(C)(C)C ZINC000610859681 934533229 /nfs/dbraw/zinc/53/32/29/934533229.db2.gz HIHDVDLFMJWGJB-HNNXBMFYSA-N 1 2 363.527 3.766 20 30 FHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCOC(C)(C)C ZINC000610859681 934533237 /nfs/dbraw/zinc/53/32/37/934533237.db2.gz HIHDVDLFMJWGJB-HNNXBMFYSA-N 1 2 363.527 3.766 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)c1C#N ZINC000091085075 934556784 /nfs/dbraw/zinc/55/67/84/934556784.db2.gz DKIQVNKDAXPMCW-SFHVURJKSA-N 1 2 374.488 3.826 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)c1C#N ZINC000091085075 934556791 /nfs/dbraw/zinc/55/67/91/934556791.db2.gz DKIQVNKDAXPMCW-SFHVURJKSA-N 1 2 374.488 3.826 20 30 FHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780498672 934893057 /nfs/dbraw/zinc/89/30/57/934893057.db2.gz PUGTVARQIHFXGF-QGZVFWFLSA-N 1 2 357.527 3.988 20 30 FHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780498672 934893064 /nfs/dbraw/zinc/89/30/64/934893064.db2.gz PUGTVARQIHFXGF-QGZVFWFLSA-N 1 2 357.527 3.988 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)s1 ZINC000538810397 934913590 /nfs/dbraw/zinc/91/35/90/934913590.db2.gz MEXRGSWXHZCTRD-OAHLLOKOSA-N 1 2 365.458 3.760 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)s1 ZINC000538810397 934913594 /nfs/dbraw/zinc/91/35/94/934913594.db2.gz MEXRGSWXHZCTRD-OAHLLOKOSA-N 1 2 365.458 3.760 20 30 FHEDLO N#Cc1cccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1F ZINC000539220603 935092637 /nfs/dbraw/zinc/09/26/37/935092637.db2.gz ZEHWZBHBZNFXLP-UHFFFAOYSA-N 1 2 353.224 3.999 20 30 FHEDLO N#Cc1cccc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1F ZINC000539220603 935092643 /nfs/dbraw/zinc/09/26/43/935092643.db2.gz ZEHWZBHBZNFXLP-UHFFFAOYSA-N 1 2 353.224 3.999 20 30 FHEDLO CC[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185936717 935186859 /nfs/dbraw/zinc/18/68/59/935186859.db2.gz YJYMXLZAMYSECA-NSHDSACASA-N 1 2 374.432 3.545 20 30 FHEDLO COC(=O)c1cccc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c1C#N ZINC000934292917 935272027 /nfs/dbraw/zinc/27/20/27/935272027.db2.gz SAFYJYKSLJGQNT-LJQANCHMSA-N 1 2 351.450 3.925 20 30 FHEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC(C)C)cc2C(F)(F)F)nn1 ZINC000657344098 935290566 /nfs/dbraw/zinc/29/05/66/935290566.db2.gz ZBPSYDWZEVUBPL-UHFFFAOYSA-N 1 2 368.403 3.950 20 30 FHEDLO COc1ccc(O)c(/C=N/C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000158164916 935606014 /nfs/dbraw/zinc/60/60/14/935606014.db2.gz HIWQLQTUOFVINC-PXLXIMEGSA-N 1 2 353.466 3.555 20 30 FHEDLO Cc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000478431928 935631758 /nfs/dbraw/zinc/63/17/58/935631758.db2.gz TUSCJFAIHUJVRF-QGZVFWFLSA-N 1 2 356.491 3.642 20 30 FHEDLO Cc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000478431928 935631761 /nfs/dbraw/zinc/63/17/61/935631761.db2.gz TUSCJFAIHUJVRF-QGZVFWFLSA-N 1 2 356.491 3.642 20 30 FHEDLO O=C1OCCN1c1cccc2c1CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000135104956 935798465 /nfs/dbraw/zinc/79/84/65/935798465.db2.gz WBVKCHSNYHJLLH-UHFFFAOYSA-N 1 2 366.848 3.706 20 30 FHEDLO O=C1OCCN1c1cccc2c1CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000135104956 935798467 /nfs/dbraw/zinc/79/84/67/935798467.db2.gz WBVKCHSNYHJLLH-UHFFFAOYSA-N 1 2 366.848 3.706 20 30 FHEDLO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2C#N)cc1OC(F)F ZINC000158444907 935805974 /nfs/dbraw/zinc/80/59/74/935805974.db2.gz DUANWYZLLMTTCB-UHFFFAOYSA-N 1 2 350.340 3.939 20 30 FHEDLO COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)cc1OC(F)F ZINC000158444907 935805978 /nfs/dbraw/zinc/80/59/78/935805978.db2.gz DUANWYZLLMTTCB-UHFFFAOYSA-N 1 2 350.340 3.939 20 30 FHEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000127820245 935815356 /nfs/dbraw/zinc/81/53/56/935815356.db2.gz HFXQTKWZEFSQPZ-AWEZNQCLSA-N 1 2 368.506 3.915 20 30 FHEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000127820245 935815360 /nfs/dbraw/zinc/81/53/60/935815360.db2.gz HFXQTKWZEFSQPZ-AWEZNQCLSA-N 1 2 368.506 3.915 20 30 FHEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000684928739 935853746 /nfs/dbraw/zinc/85/37/46/935853746.db2.gz VIOFOWWBDXLUDK-KRWDZBQOSA-N 1 2 369.431 3.887 20 30 FHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC3(C2)CCCCC3)nc1-c1cnccn1 ZINC000161344429 935896190 /nfs/dbraw/zinc/89/61/90/935896190.db2.gz BANDNJWCOPPWLZ-UHFFFAOYSA-N 1 2 370.526 3.671 20 30 FHEDLO C=CCn1c(=S)n(C[N@H+]2CCC3(C2)CCCCC3)nc1-c1cnccn1 ZINC000161344429 935896193 /nfs/dbraw/zinc/89/61/93/935896193.db2.gz BANDNJWCOPPWLZ-UHFFFAOYSA-N 1 2 370.526 3.671 20 30 FHEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)C1CCCCC1 ZINC000135176762 935921581 /nfs/dbraw/zinc/92/15/81/935921581.db2.gz FBRXNQGRJLORRB-UHFFFAOYSA-N 1 2 358.913 3.852 20 30 FHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000076220625 936027807 /nfs/dbraw/zinc/02/78/07/936027807.db2.gz DUHKGCZCRGUSHB-UHFFFAOYSA-N 1 2 360.417 3.671 20 30 FHEDLO CCN(C(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000046528223 936098106 /nfs/dbraw/zinc/09/81/06/936098106.db2.gz SJCJEDJDCHVDNR-UHFFFAOYSA-N 1 2 364.474 3.653 20 30 FHEDLO CCN(C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000046528223 936098110 /nfs/dbraw/zinc/09/81/10/936098110.db2.gz SJCJEDJDCHVDNR-UHFFFAOYSA-N 1 2 364.474 3.653 20 30 FHEDLO N#Cc1ccccc1/C=C\C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000255557278 936183897 /nfs/dbraw/zinc/18/38/97/936183897.db2.gz MXVDSSXBOXXCJK-KTKRTIGZSA-N 1 2 360.461 3.663 20 30 FHEDLO C=CCC[C@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000427171423 945155378 /nfs/dbraw/zinc/15/53/78/945155378.db2.gz QVNKKTNZCYLQDQ-QFIPXVFZSA-N 1 2 364.489 3.786 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCc3sccc3C1)C2 ZINC000329275520 938311585 /nfs/dbraw/zinc/31/15/85/938311585.db2.gz KTZRUQFYMOXFCN-AWEZNQCLSA-N 1 2 358.511 3.529 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@@H]1c1ccccc1)C2 ZINC000329278790 938315521 /nfs/dbraw/zinc/31/55/21/938315521.db2.gz MELAAGRGEYMCMV-DLBZAZTESA-N 1 2 352.482 3.856 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000052579288 938407678 /nfs/dbraw/zinc/40/76/78/938407678.db2.gz SCCDNNQHFAXFMF-UHFFFAOYSA-N 1 2 350.378 3.833 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000052579288 938407680 /nfs/dbraw/zinc/40/76/80/938407680.db2.gz SCCDNNQHFAXFMF-UHFFFAOYSA-N 1 2 350.378 3.833 20 30 FHEDLO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000132062987 938503063 /nfs/dbraw/zinc/50/30/63/938503063.db2.gz ANONELMHZYFKIE-MRXNPFEDSA-N 1 2 358.511 3.508 20 30 FHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000118392289 938830555 /nfs/dbraw/zinc/83/05/55/938830555.db2.gz YDBJAEKKGBBKHH-HNNXBMFYSA-N 1 2 353.853 3.731 20 30 FHEDLO O[C@H](C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F ZINC000093766907 938929975 /nfs/dbraw/zinc/92/99/75/938929975.db2.gz JRJAMPHKPJZMBG-CYBMUJFWSA-N 1 2 359.285 3.980 20 30 FHEDLO Cc1cccn2cc(CCNc3ccc(Br)cc3C#N)[nH+]c12 ZINC000611928197 938990760 /nfs/dbraw/zinc/99/07/60/938990760.db2.gz QLPILDMXHWFRIO-UHFFFAOYSA-N 1 2 355.239 3.932 20 30 FHEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)nn1 ZINC000658037045 939020170 /nfs/dbraw/zinc/02/01/70/939020170.db2.gz DIRHUBVMBGKZCX-JTQLQIEISA-N 1 2 355.667 3.731 20 30 FHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000548865281 939091203 /nfs/dbraw/zinc/09/12/03/939091203.db2.gz SYZFHQSXDRQAMS-UHFFFAOYSA-N 1 2 371.444 3.721 20 30 FHEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000612121535 939104302 /nfs/dbraw/zinc/10/43/02/939104302.db2.gz BWDOEUNVCUQIOL-LJQANCHMSA-N 1 2 359.395 3.529 20 30 FHEDLO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@](C)(C#N)C4)nc(N)c23)C1 ZINC000612155090 939154541 /nfs/dbraw/zinc/15/45/41/939154541.db2.gz NWPYYOKAUBHLCI-ZUOKHONESA-N 1 2 369.538 3.566 20 30 FHEDLO C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@](C)(C#N)C4)nc(N)c23)C1 ZINC000612155090 939154543 /nfs/dbraw/zinc/15/45/43/939154543.db2.gz NWPYYOKAUBHLCI-ZUOKHONESA-N 1 2 369.538 3.566 20 30 FHEDLO C[C@H]([NH2+][C@@H](C)c1ccc(=O)[nH]n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000375794280 939897417 /nfs/dbraw/zinc/89/74/17/939897417.db2.gz VGCUPBUFAQFJQT-RYUDHWBXSA-N 1 2 351.435 3.589 20 30 FHEDLO CC[NH+](CC)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1cccc(OC)c1 ZINC000255841675 939911522 /nfs/dbraw/zinc/91/15/22/939911522.db2.gz FAPLUUCPEWGGLC-IAFWPLRWSA-N 1 2 371.437 3.811 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3c(F)cccc3Cl)CC2)cc1 ZINC000548923030 940024929 /nfs/dbraw/zinc/02/49/29/940024929.db2.gz VUAIZVMIHGZNJI-UHFFFAOYSA-N 1 2 372.831 3.700 20 30 FHEDLO C=CCOc1ccc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000375935228 940082980 /nfs/dbraw/zinc/08/29/80/940082980.db2.gz QMRIAROWNAXCQS-INIZCTEOSA-N 1 2 353.466 3.519 20 30 FHEDLO C=CCOc1ccc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000375935228 940082984 /nfs/dbraw/zinc/08/29/84/940082984.db2.gz QMRIAROWNAXCQS-INIZCTEOSA-N 1 2 353.466 3.519 20 30 FHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000375956162 940105927 /nfs/dbraw/zinc/10/59/27/940105927.db2.gz VRFXSOVXVYTNEQ-CQSZACIVSA-N 1 2 368.868 3.813 20 30 FHEDLO Cc1oc(-c2ccccc2)nc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066608893 940721487 /nfs/dbraw/zinc/72/14/87/940721487.db2.gz QJCXTQRZAHTNNE-UHFFFAOYSA-N 1 2 372.472 3.840 20 30 FHEDLO N#CCC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2c(F)cccc21)c1ccccc1 ZINC000376321621 940769221 /nfs/dbraw/zinc/76/92/21/940769221.db2.gz ZUXVAUDXPHEDMV-QZTJIDSGSA-N 1 2 358.438 3.679 20 30 FHEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000330097783 945355012 /nfs/dbraw/zinc/35/50/12/945355012.db2.gz BCSCGUJBLJASFR-GCJKJVERSA-N 1 2 374.525 3.579 20 30 FHEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000330097783 945355025 /nfs/dbraw/zinc/35/50/25/945355025.db2.gz BCSCGUJBLJASFR-GCJKJVERSA-N 1 2 374.525 3.579 20 30 FHEDLO C=CCOc1cccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000506806982 945358825 /nfs/dbraw/zinc/35/88/25/945358825.db2.gz TXWGAYLYBSFQML-UHFFFAOYSA-N 1 2 374.868 3.984 20 30 FHEDLO C=CCOc1cccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000506806982 945358843 /nfs/dbraw/zinc/35/88/43/945358843.db2.gz TXWGAYLYBSFQML-UHFFFAOYSA-N 1 2 374.868 3.984 20 30 FHEDLO Cc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(N(C)C)[nH+]1 ZINC000162397309 941028263 /nfs/dbraw/zinc/02/82/63/941028263.db2.gz PQGAGAQATHUYDJ-IEBWSBKVSA-N 1 2 363.465 3.760 20 30 FHEDLO COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@](C)(C#N)C3)c2C)cc1 ZINC000613540198 941098226 /nfs/dbraw/zinc/09/82/26/941098226.db2.gz COTVHCOIVDCDGC-OAQYLSRUSA-N 1 2 352.482 3.683 20 30 FHEDLO COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@](C)(C#N)C3)c2C)cc1 ZINC000613540198 941098228 /nfs/dbraw/zinc/09/82/28/941098228.db2.gz COTVHCOIVDCDGC-OAQYLSRUSA-N 1 2 352.482 3.683 20 30 FHEDLO COc1cccc(C[NH2+][C@H](C)c2nc(-c3ccc(C#N)cc3)cs2)n1 ZINC000376845552 941449376 /nfs/dbraw/zinc/44/93/76/941449376.db2.gz XXNCYLHYUSQHFT-CYBMUJFWSA-N 1 2 350.447 3.936 20 30 FHEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000377254620 941594743 /nfs/dbraw/zinc/59/47/43/941594743.db2.gz VZJLXAXPWSJYOW-JOCHJYFZSA-N 1 2 361.445 3.814 20 30 FHEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000377254620 941594745 /nfs/dbraw/zinc/59/47/45/941594745.db2.gz VZJLXAXPWSJYOW-JOCHJYFZSA-N 1 2 361.445 3.814 20 30 FHEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC000174112408 941700063 /nfs/dbraw/zinc/70/00/63/941700063.db2.gz JAEVMGSQMIIVTD-GFCCVEGCSA-N 1 2 370.384 3.591 20 30 FHEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000365754894 942238640 /nfs/dbraw/zinc/23/86/40/942238640.db2.gz VDVOYMGSJTUXRB-UHFFFAOYSA-N 1 2 360.442 3.562 20 30 FHEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000501207965 942352835 /nfs/dbraw/zinc/35/28/35/942352835.db2.gz WCUVKIBBMJSZPR-NRFANRHFSA-N 1 2 364.424 3.661 20 30 FHEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000501207965 942352838 /nfs/dbraw/zinc/35/28/38/942352838.db2.gz WCUVKIBBMJSZPR-NRFANRHFSA-N 1 2 364.424 3.661 20 30 FHEDLO C=C(C)[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(F)c(F)c1 ZINC000414432906 942439905 /nfs/dbraw/zinc/43/99/05/942439905.db2.gz NJPWNZYPYMLLSL-INIZCTEOSA-N 1 2 357.447 3.837 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527207 942500539 /nfs/dbraw/zinc/50/05/39/942500539.db2.gz FPKMWPFCHTZAFM-CQSZACIVSA-N 1 2 366.852 3.723 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527207 942500547 /nfs/dbraw/zinc/50/05/47/942500547.db2.gz FPKMWPFCHTZAFM-CQSZACIVSA-N 1 2 366.852 3.723 20 30 FHEDLO N#Cc1ccc2ncc(C[NH2+][C@H](c3cccc(F)c3)c3ccccn3)n2c1 ZINC000366936198 942550081 /nfs/dbraw/zinc/55/00/81/942550081.db2.gz WDJYFGCBNFXKHC-OAQYLSRUSA-N 1 2 357.392 3.619 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1cccs1 ZINC000016395456 942556305 /nfs/dbraw/zinc/55/63/05/942556305.db2.gz KHZKGBJWXVXQLI-UHFFFAOYSA-N 1 2 358.463 3.536 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1cccs1 ZINC000016395456 942556313 /nfs/dbraw/zinc/55/63/13/942556313.db2.gz KHZKGBJWXVXQLI-UHFFFAOYSA-N 1 2 358.463 3.536 20 30 FHEDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000502875588 942807022 /nfs/dbraw/zinc/80/70/22/942807022.db2.gz MPXFHMPGCLEPNI-NRFANRHFSA-N 1 2 362.408 3.987 20 30 FHEDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000502875588 942807031 /nfs/dbraw/zinc/80/70/31/942807031.db2.gz MPXFHMPGCLEPNI-NRFANRHFSA-N 1 2 362.408 3.987 20 30 FHEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC[C@@H]1C(F)(F)F ZINC000190177192 942854146 /nfs/dbraw/zinc/85/41/46/942854146.db2.gz ADCOTYTXWXFWMX-OLZOCXBDSA-N 1 2 371.428 3.635 20 30 FHEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC[C@@H]1C(F)(F)F ZINC000190177192 942854150 /nfs/dbraw/zinc/85/41/50/942854150.db2.gz ADCOTYTXWXFWMX-OLZOCXBDSA-N 1 2 371.428 3.635 20 30 FHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3csc4cncn43)n2)C1 ZINC000329688235 942885513 /nfs/dbraw/zinc/88/55/13/942885513.db2.gz ASJWHKIAQHTABH-NSHDSACASA-N 1 2 361.496 3.721 20 30 FHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3csc4cncn43)n2)C1 ZINC000329688235 942885519 /nfs/dbraw/zinc/88/55/19/942885519.db2.gz ASJWHKIAQHTABH-NSHDSACASA-N 1 2 361.496 3.721 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000434894216 943025028 /nfs/dbraw/zinc/02/50/28/943025028.db2.gz FZSJNLIQLGJPFU-HXUWFJFHSA-N 1 2 363.452 3.764 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000434894216 943025033 /nfs/dbraw/zinc/02/50/33/943025033.db2.gz FZSJNLIQLGJPFU-HXUWFJFHSA-N 1 2 363.452 3.764 20 30 FHEDLO Cc1cc(Nc2ncc([N+](=O)[O-])cc2C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000503273842 943095058 /nfs/dbraw/zinc/09/50/58/943095058.db2.gz FQRUWYTXDLKTHN-ZDUSSCGKSA-N 1 2 352.398 3.687 20 30 FHEDLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(OCC#N)cc1 ZINC000272235755 943119213 /nfs/dbraw/zinc/11/92/13/943119213.db2.gz IOZFHZQYAHXNOU-IXDOHACOSA-N 1 2 366.465 3.771 20 30 FHEDLO CCCCn1c(SCc2nc(C#N)cs2)nnc1[C@@H](CC)[NH+](C)C ZINC000416891634 943204027 /nfs/dbraw/zinc/20/40/27/943204027.db2.gz KJUIYZLMUWYHEH-CYBMUJFWSA-N 1 2 364.544 3.711 20 30 FHEDLO C=CCCO[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435336219 943338213 /nfs/dbraw/zinc/33/82/13/943338213.db2.gz OYQHRWCVBSXICR-INIZCTEOSA-N 1 2 361.873 3.547 20 30 FHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075297993 943395227 /nfs/dbraw/zinc/39/52/27/943395227.db2.gz YBGHMURRGMMQDY-SFTDATJTSA-N 1 2 356.429 3.784 20 30 FHEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@@H](CC)CCCC ZINC001269977844 943475930 /nfs/dbraw/zinc/47/59/30/943475930.db2.gz VIARTMVAFZDOOG-GBESFXJTSA-N 1 2 350.547 3.717 20 30 FHEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@@H](CC)CCCC ZINC001269977844 943475934 /nfs/dbraw/zinc/47/59/34/943475934.db2.gz VIARTMVAFZDOOG-GBESFXJTSA-N 1 2 350.547 3.717 20 30 FHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000660291024 943908979 /nfs/dbraw/zinc/90/89/79/943908979.db2.gz UFISDQYPNAUFJQ-XLIONFOSSA-N 1 2 352.482 3.866 20 30 FHEDLO CC[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000504967490 943943484 /nfs/dbraw/zinc/94/34/84/943943484.db2.gz PWFIFGYBUDPWQD-NRFANRHFSA-N 1 2 361.489 3.786 20 30 FHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@]2(CCOC2)C1 ZINC000330240790 944068291 /nfs/dbraw/zinc/06/82/91/944068291.db2.gz IUKOQGSURPTVEJ-NRFANRHFSA-N 1 2 366.465 3.544 20 30 FHEDLO N#CCc1cc[nH+]c(NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC000517251605 944146667 /nfs/dbraw/zinc/14/66/67/944146667.db2.gz DWCJVCMPOQWEGQ-UHFFFAOYSA-N 1 2 357.339 3.964 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2cccc(C)n2)c1 ZINC000437908525 944223060 /nfs/dbraw/zinc/22/30/60/944223060.db2.gz WENXAZJZWMOMMT-IBGZPJMESA-N 1 2 364.493 3.774 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)n2)c1 ZINC000437908525 944223066 /nfs/dbraw/zinc/22/30/66/944223066.db2.gz WENXAZJZWMOMMT-IBGZPJMESA-N 1 2 364.493 3.774 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 ZINC000439446865 944628759 /nfs/dbraw/zinc/62/87/59/944628759.db2.gz QTPFWKSADIOBGW-UHFFFAOYSA-N 1 2 371.843 3.699 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 ZINC000439446865 944628761 /nfs/dbraw/zinc/62/87/61/944628761.db2.gz QTPFWKSADIOBGW-UHFFFAOYSA-N 1 2 371.843 3.699 20 30 FHEDLO Cc1cccc2c1C[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)CC2 ZINC000759878760 944705084 /nfs/dbraw/zinc/70/50/84/944705084.db2.gz HFGJWKCYJKMPKN-MRXNPFEDSA-N 1 2 361.470 3.839 20 30 FHEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cc2)c1 ZINC000364453263 944743727 /nfs/dbraw/zinc/74/37/27/944743727.db2.gz ATZNQNLQZATTMC-MRXNPFEDSA-N 1 2 358.401 3.748 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1C#N ZINC000613746081 944844573 /nfs/dbraw/zinc/84/45/73/944844573.db2.gz UVERMIZOFGIGQT-HSZRJFAPSA-N 1 2 370.456 3.684 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1C#N ZINC000613746081 944844583 /nfs/dbraw/zinc/84/45/83/944844583.db2.gz UVERMIZOFGIGQT-HSZRJFAPSA-N 1 2 370.456 3.684 20 30 FHEDLO N#Cc1ccc(/C=C/c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000518874117 944881576 /nfs/dbraw/zinc/88/15/76/944881576.db2.gz GGCPRIXHHURHLU-CMDGGOBGSA-N 1 2 372.428 3.611 20 30 FHEDLO C[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000330158301 945380437 /nfs/dbraw/zinc/38/04/37/945380437.db2.gz PYNGXNLMZLCKJR-PIPMEXSNSA-N 1 2 366.461 3.896 20 30 FHEDLO C[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000330158301 945380447 /nfs/dbraw/zinc/38/04/47/945380447.db2.gz PYNGXNLMZLCKJR-PIPMEXSNSA-N 1 2 366.461 3.896 20 30 FHEDLO CC(C)[C@@H]1N(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC12CCC2 ZINC000330178015 945388511 /nfs/dbraw/zinc/38/85/11/945388511.db2.gz DIHRRFFFXPVHRM-QAPCUYQASA-N 1 2 358.530 3.920 20 30 FHEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C12CCCCC2 ZINC000330255464 945427870 /nfs/dbraw/zinc/42/78/70/945427870.db2.gz PRQSQQOBISKESJ-DLBZAZTESA-N 1 2 360.502 3.631 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000018175748 945445403 /nfs/dbraw/zinc/44/54/03/945445403.db2.gz QFELIFDAVRVZPF-UHFFFAOYSA-N 1 2 354.841 3.561 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@H](C)COC ZINC000661244117 945897037 /nfs/dbraw/zinc/89/70/37/945897037.db2.gz PZUHOOWKEDCGOR-SNVBAGLBSA-N 1 2 372.288 3.584 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@H](C)COC ZINC000661244117 945897042 /nfs/dbraw/zinc/89/70/42/945897042.db2.gz PZUHOOWKEDCGOR-SNVBAGLBSA-N 1 2 372.288 3.584 20 30 FHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000522833236 945956408 /nfs/dbraw/zinc/95/64/08/945956408.db2.gz RJTZRLGGIBRTJQ-INIZCTEOSA-N 1 2 367.880 3.660 20 30 FHEDLO N#CCCCn1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc21 ZINC000444142092 945973380 /nfs/dbraw/zinc/97/33/80/945973380.db2.gz OPHJRUHYZWMBFA-UHFFFAOYSA-N 1 2 361.449 3.688 20 30 FHEDLO CC[C@@H](C#N)Oc1cc(CNc2nc(C)[nH+]c3c2CCCC3)ccc1OC ZINC000302063246 946103767 /nfs/dbraw/zinc/10/37/67/946103767.db2.gz UUFPJDCCPHDGRV-INIZCTEOSA-N 1 2 366.465 3.966 20 30 FHEDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccccc1C(C)(C)C#N ZINC000487358877 946406760 /nfs/dbraw/zinc/40/67/60/946406760.db2.gz KYEYOOGIMPLPOM-UHFFFAOYSA-N 1 2 350.388 3.879 20 30 FHEDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccccc1C(C)(C)C#N ZINC000487358877 946406766 /nfs/dbraw/zinc/40/67/66/946406766.db2.gz KYEYOOGIMPLPOM-UHFFFAOYSA-N 1 2 350.388 3.879 20 30 FHEDLO CCOc1ccc(C#N)cc1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000475166892 946544861 /nfs/dbraw/zinc/54/48/61/946544861.db2.gz XYLZZAVMVUILCJ-UHFFFAOYSA-N 1 2 370.359 3.532 20 30 FHEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000550354196 946730708 /nfs/dbraw/zinc/73/07/08/946730708.db2.gz JCKRFCIEAFXHLQ-OAHLLOKOSA-N 1 2 370.522 3.756 20 30 FHEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000550354196 946730717 /nfs/dbraw/zinc/73/07/17/946730717.db2.gz JCKRFCIEAFXHLQ-OAHLLOKOSA-N 1 2 370.522 3.756 20 30 FHEDLO C=CCOc1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1Cl ZINC000475273514 946808952 /nfs/dbraw/zinc/80/89/52/946808952.db2.gz DYZOCFKLIYKCPY-UHFFFAOYSA-N 1 2 354.841 3.775 20 30 FHEDLO CC[NH+](CC)Cc1csc(NC(=O)CSc2ccc(C#N)cc2)n1 ZINC000728517268 946877313 /nfs/dbraw/zinc/87/73/13/946877313.db2.gz MEFRTFKPYRCSAJ-UHFFFAOYSA-N 1 2 360.508 3.587 20 30 FHEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1CCCCC1 ZINC000328746603 947008308 /nfs/dbraw/zinc/00/83/08/947008308.db2.gz APDVPSKDRFIFFU-SCTDSRPQSA-N 1 2 372.513 3.506 20 30 FHEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1CCCCC1 ZINC000328746603 947008316 /nfs/dbraw/zinc/00/83/16/947008316.db2.gz APDVPSKDRFIFFU-SCTDSRPQSA-N 1 2 372.513 3.506 20 30 FHEDLO Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328896487 947086410 /nfs/dbraw/zinc/08/64/10/947086410.db2.gz WWCWOFGPFSVPQM-UHFFFAOYSA-N 1 2 351.410 3.798 20 30 FHEDLO Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328896487 947086423 /nfs/dbraw/zinc/08/64/23/947086423.db2.gz WWCWOFGPFSVPQM-UHFFFAOYSA-N 1 2 351.410 3.798 20 30 FHEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000328919734 947108979 /nfs/dbraw/zinc/10/89/79/947108979.db2.gz BRRGOSHYWVNDMV-ZACQAIPSSA-N 1 2 362.518 3.590 20 30 FHEDLO Cc1ccc2nc(NC(=O)C[NH+]3CCC(c4cnn(C)c4)CC3)sc2c1 ZINC000328928009 947112120 /nfs/dbraw/zinc/11/21/20/947112120.db2.gz XNHWIPGIBBYLIQ-UHFFFAOYSA-N 1 2 369.494 3.806 20 30 FHEDLO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C)[S@@]1=O ZINC000444688631 947113890 /nfs/dbraw/zinc/11/38/90/947113890.db2.gz COFQGZBZYOJWFL-XTIHSXFESA-N 1 2 366.530 3.728 20 30 FHEDLO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C)[S@@]1=O ZINC000444688631 947113894 /nfs/dbraw/zinc/11/38/94/947113894.db2.gz COFQGZBZYOJWFL-XTIHSXFESA-N 1 2 366.530 3.728 20 30 FHEDLO Cc1ccc(/C=C/CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000440526384 947142568 /nfs/dbraw/zinc/14/25/68/947142568.db2.gz LRMBDVFCYXNOEY-NSCUHMNNSA-N 1 2 359.473 3.614 20 30 FHEDLO O[C@@H](C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000093766611 947152476 /nfs/dbraw/zinc/15/24/76/947152476.db2.gz NZMGSZYVGFVZRJ-ZDUSSCGKSA-N 1 2 359.285 3.980 20 30 FHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444785138 947226843 /nfs/dbraw/zinc/22/68/43/947226843.db2.gz PPCVPLLPKXZMPC-HNNXBMFYSA-N 1 2 350.853 3.967 20 30 FHEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC[C@@H]1C(F)(F)F ZINC000248690860 947289834 /nfs/dbraw/zinc/28/98/34/947289834.db2.gz ADCOTYTXWXFWMX-STQMWFEESA-N 1 2 371.428 3.635 20 30 FHEDLO CC1(C)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC[C@@H]1C(F)(F)F ZINC000248690860 947289841 /nfs/dbraw/zinc/28/98/41/947289841.db2.gz ADCOTYTXWXFWMX-STQMWFEESA-N 1 2 371.428 3.635 20 30 FHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cccc(C(F)F)c1Cl ZINC000330854222 947296033 /nfs/dbraw/zinc/29/60/33/947296033.db2.gz OSEAORWUGHYINR-UHFFFAOYSA-N 1 2 361.820 3.714 20 30 FHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cccc(C(F)F)c1Cl ZINC000330854222 947296044 /nfs/dbraw/zinc/29/60/44/947296044.db2.gz OSEAORWUGHYINR-UHFFFAOYSA-N 1 2 361.820 3.714 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1OC ZINC000093872408 947427256 /nfs/dbraw/zinc/42/72/56/947427256.db2.gz BWSMTZTUARBXRN-RBUKOAKNSA-N 1 2 366.461 3.984 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1OC ZINC000093872408 947427257 /nfs/dbraw/zinc/42/72/57/947427257.db2.gz BWSMTZTUARBXRN-RBUKOAKNSA-N 1 2 366.461 3.984 20 30 FHEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2Oc2cncc(Cl)c2)C1 ZINC000895079954 948254473 /nfs/dbraw/zinc/25/44/73/948254473.db2.gz YGRDBYWKEXTWMH-SFHVURJKSA-N 1 2 361.804 3.517 20 30 FHEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2Oc2cncc(Cl)c2)C1 ZINC000895079954 948254478 /nfs/dbraw/zinc/25/44/78/948254478.db2.gz YGRDBYWKEXTWMH-SFHVURJKSA-N 1 2 361.804 3.517 20 30 FHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000507783654 948359712 /nfs/dbraw/zinc/35/97/12/948359712.db2.gz FJKNYMAUKMFGOY-UHFFFAOYSA-N 1 2 369.852 3.694 20 30 FHEDLO N#Cc1cc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1F ZINC000279044367 948434038 /nfs/dbraw/zinc/43/40/38/948434038.db2.gz JOWQVIPEZFKWSO-UHFFFAOYSA-N 1 2 367.428 3.642 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000512181289 948699501 /nfs/dbraw/zinc/69/95/01/948699501.db2.gz PNLJWHPZPASUGL-QGZVFWFLSA-N 1 2 360.498 3.545 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000512181289 948699505 /nfs/dbraw/zinc/69/95/05/948699505.db2.gz PNLJWHPZPASUGL-QGZVFWFLSA-N 1 2 360.498 3.545 20 30 FHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024663458 567890696 /nfs/dbraw/zinc/89/06/96/567890696.db2.gz NMLTXKBUWCWENI-CQSZACIVSA-N 1 2 366.446 3.579 20 30 FHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024663458 567890697 /nfs/dbraw/zinc/89/06/97/567890697.db2.gz NMLTXKBUWCWENI-CQSZACIVSA-N 1 2 366.446 3.579 20 30 FHEDLO CCc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000481491627 567992607 /nfs/dbraw/zinc/99/26/07/567992607.db2.gz FYLIUCFAPNQVII-UHFFFAOYSA-N 1 2 362.477 3.779 20 30 FHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CCCC[C@@H]1CO ZINC000330265945 568003914 /nfs/dbraw/zinc/00/39/14/568003914.db2.gz ZYJSTQFPYNSMBN-APWZRJJASA-N 1 2 368.481 3.573 20 30 FHEDLO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602973679 568034974 /nfs/dbraw/zinc/03/49/74/568034974.db2.gz DAUCRNSEYDGADD-FUHIMQAGSA-N 1 2 353.491 3.578 20 30 FHEDLO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602973679 568034976 /nfs/dbraw/zinc/03/49/76/568034976.db2.gz DAUCRNSEYDGADD-FUHIMQAGSA-N 1 2 353.491 3.578 20 30 FHEDLO Cc1nnc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)s1 ZINC000541870481 568044251 /nfs/dbraw/zinc/04/42/51/568044251.db2.gz JBHXSEOANYFCQI-UHFFFAOYSA-N 1 2 350.447 3.587 20 30 FHEDLO COc1ccc(Br)cc1-c1nc(C[NH2+][C@H](C)CC#N)cs1 ZINC000602860642 568049454 /nfs/dbraw/zinc/04/94/54/568049454.db2.gz CSSMCSSMCGYAAN-SNVBAGLBSA-N 1 2 366.284 3.973 20 30 FHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccc(F)cc1F ZINC000603442006 568101622 /nfs/dbraw/zinc/10/16/22/568101622.db2.gz ONASORCIQTUPJK-RDYUPDBUSA-N 1 2 363.452 3.716 20 30 FHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000603442006 568101623 /nfs/dbraw/zinc/10/16/23/568101623.db2.gz ONASORCIQTUPJK-RDYUPDBUSA-N 1 2 363.452 3.716 20 30 FHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000330305436 568211975 /nfs/dbraw/zinc/21/19/75/568211975.db2.gz QRJNTALMIIAVDE-RCCFBDPRSA-N 1 2 372.513 3.911 20 30 FHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000568933973 568253865 /nfs/dbraw/zinc/25/38/65/568253865.db2.gz NAZFKYZBDRWIMD-BETUJISGSA-N 1 2 354.429 3.526 20 30 FHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000568933973 568253866 /nfs/dbraw/zinc/25/38/66/568253866.db2.gz NAZFKYZBDRWIMD-BETUJISGSA-N 1 2 354.429 3.526 20 30 FHEDLO C=CCOc1ccccc1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000604341356 568262387 /nfs/dbraw/zinc/26/23/87/568262387.db2.gz QHMXZDHGQSZGMI-KRWDZBQOSA-N 1 2 360.404 3.562 20 30 FHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000569139033 568282198 /nfs/dbraw/zinc/28/21/98/568282198.db2.gz XGYRIKLTIXOKIV-UHFFFAOYSA-N 1 2 365.433 3.639 20 30 FHEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303505706 568283209 /nfs/dbraw/zinc/28/32/09/568283209.db2.gz NTJIKASOWRCFIN-RHSMWYFYSA-N 1 2 368.880 3.541 20 30 FHEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303505706 568283210 /nfs/dbraw/zinc/28/32/10/568283210.db2.gz NTJIKASOWRCFIN-RHSMWYFYSA-N 1 2 368.880 3.541 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000031053070 568322358 /nfs/dbraw/zinc/32/23/58/568322358.db2.gz POQQPAJLRGCWGF-PXAZEXFGSA-N 1 2 356.297 3.868 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000031053070 568322359 /nfs/dbraw/zinc/32/23/59/568322359.db2.gz POQQPAJLRGCWGF-PXAZEXFGSA-N 1 2 356.297 3.868 20 30 FHEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000365235284 568345630 /nfs/dbraw/zinc/34/56/30/568345630.db2.gz SVGUHDLBSOEEAU-FQEVSTJZSA-N 1 2 350.372 3.848 20 30 FHEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000365235284 568345631 /nfs/dbraw/zinc/34/56/31/568345631.db2.gz SVGUHDLBSOEEAU-FQEVSTJZSA-N 1 2 350.372 3.848 20 30 FHEDLO C=CC[C@@H](C)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000604913854 568388530 /nfs/dbraw/zinc/38/85/30/568388530.db2.gz AZMXADWPDYPIHU-CZUORRHYSA-N 1 2 353.869 3.880 20 30 FHEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000570133357 568453252 /nfs/dbraw/zinc/45/32/52/568453252.db2.gz JRMYTSBCCJNWEU-SJORKVTESA-N 1 2 367.415 3.798 20 30 FHEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000570133357 568453253 /nfs/dbraw/zinc/45/32/53/568453253.db2.gz JRMYTSBCCJNWEU-SJORKVTESA-N 1 2 367.415 3.798 20 30 FHEDLO COc1ccc([C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2nccn2C)cc1 ZINC000570488892 568488171 /nfs/dbraw/zinc/48/81/71/568488171.db2.gz GFOVMMWEVWXONF-NHCUHLMSSA-N 1 2 358.445 3.667 20 30 FHEDLO C=C(C)[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000365341099 568528695 /nfs/dbraw/zinc/52/86/95/568528695.db2.gz DECGDILGHXDNPO-LJQANCHMSA-N 1 2 374.435 3.956 20 30 FHEDLO CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C[C@H](C)C#N ZINC000049982503 568641983 /nfs/dbraw/zinc/64/19/83/568641983.db2.gz FIEPRVQZLSHNRV-KUHUBIRLSA-N 1 2 359.470 3.574 20 30 FHEDLO CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C[C@H](C)C#N ZINC000049982503 568641985 /nfs/dbraw/zinc/64/19/85/568641985.db2.gz FIEPRVQZLSHNRV-KUHUBIRLSA-N 1 2 359.470 3.574 20 30 FHEDLO C=CCOCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000583149447 937173079 /nfs/dbraw/zinc/17/30/79/937173079.db2.gz QLAJJWIBTRXGME-MRXNPFEDSA-N 1 2 357.281 3.989 20 30 FHEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000583149447 937173082 /nfs/dbraw/zinc/17/30/82/937173082.db2.gz QLAJJWIBTRXGME-MRXNPFEDSA-N 1 2 357.281 3.989 20 30 FHEDLO COC(=O)c1cccc(C[N@H+](C)CCOc2ccccc2Cl)c1C#N ZINC000535981440 937302845 /nfs/dbraw/zinc/30/28/45/937302845.db2.gz YZPHNFUGLPMMOR-UHFFFAOYSA-N 1 2 358.825 3.509 20 30 FHEDLO COC(=O)c1cccc(C[N@@H+](C)CCOc2ccccc2Cl)c1C#N ZINC000535981440 937302848 /nfs/dbraw/zinc/30/28/48/937302848.db2.gz YZPHNFUGLPMMOR-UHFFFAOYSA-N 1 2 358.825 3.509 20 30 FHEDLO C[N@@H+]1CCC[C@H](C/N=C\c2cc([N+](=O)[O-])ccc2O)[C@@H]1c1cccs1 ZINC000255124569 929665768 /nfs/dbraw/zinc/66/57/68/929665768.db2.gz JYIJGJQAYJOOHP-XKJQEKDHSA-N 1 2 359.451 3.864 20 30 FHEDLO C[N@H+]1CCC[C@H](C/N=C\c2cc([N+](=O)[O-])ccc2O)[C@@H]1c1cccs1 ZINC000255124569 929665771 /nfs/dbraw/zinc/66/57/71/929665771.db2.gz JYIJGJQAYJOOHP-XKJQEKDHSA-N 1 2 359.451 3.864 20 30 FHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@H](COCC)C2)c1=S ZINC000177633110 929728619 /nfs/dbraw/zinc/72/86/19/929728619.db2.gz JLVSUYSHRNSSNR-SFHVURJKSA-N 1 2 372.538 3.507 20 30 FHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@H](COCC)C2)c1=S ZINC000177633110 929728623 /nfs/dbraw/zinc/72/86/23/929728623.db2.gz JLVSUYSHRNSSNR-SFHVURJKSA-N 1 2 372.538 3.507 20 30 FHEDLO C=CCCn1cc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)nn1 ZINC000656116731 930243932 /nfs/dbraw/zinc/24/39/32/930243932.db2.gz YRMZFBHHPTWPTK-UHFFFAOYSA-N 1 2 368.510 3.555 20 30 FHEDLO C=CCCn1cc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)nn1 ZINC000656116731 930243933 /nfs/dbraw/zinc/24/39/33/930243933.db2.gz YRMZFBHHPTWPTK-UHFFFAOYSA-N 1 2 368.510 3.555 20 30 FHEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)c2)cc1 ZINC000157781198 930262049 /nfs/dbraw/zinc/26/20/49/930262049.db2.gz LCRSSBBOANSVGY-UHFFFAOYSA-N 1 2 371.444 3.976 20 30 FHEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1cccc(F)c1 ZINC000156814695 931560215 /nfs/dbraw/zinc/56/02/15/931560215.db2.gz MBKYEYOWFWPICY-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1cccc(F)c1 ZINC000156814695 931560217 /nfs/dbraw/zinc/56/02/17/931560217.db2.gz MBKYEYOWFWPICY-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000255297919 931900614 /nfs/dbraw/zinc/90/06/14/931900614.db2.gz UYEDAFAQJSAGDA-UHFFFAOYSA-N 1 2 371.462 3.642 20 30 FHEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121353723 932041092 /nfs/dbraw/zinc/04/10/92/932041092.db2.gz DWBRECYIUKREDC-IBGZPJMESA-N 1 2 369.424 3.914 20 30 FHEDLO N#Cc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000098023926 932664502 /nfs/dbraw/zinc/66/45/02/932664502.db2.gz RGPBXRJINQLHMM-UHFFFAOYSA-N 1 2 351.797 3.719 20 30 FHEDLO N#CCC[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000533818606 932667487 /nfs/dbraw/zinc/66/74/87/932667487.db2.gz RJLZJTLRDIXBJR-IBGZPJMESA-N 1 2 368.506 3.620 20 30 FHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000178153002 932697707 /nfs/dbraw/zinc/69/77/07/932697707.db2.gz NQJUHPPDYJOHOG-IYBDPMFKSA-N 1 2 355.511 3.597 20 30 FHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000178153002 932697711 /nfs/dbraw/zinc/69/77/11/932697711.db2.gz NQJUHPPDYJOHOG-IYBDPMFKSA-N 1 2 355.511 3.597 20 30 FHEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566092 933081956 /nfs/dbraw/zinc/08/19/56/933081956.db2.gz FYDKGHBCATUDKY-FOIQADDNSA-N 1 2 368.412 3.677 20 30 FHEDLO O=C1C=COC2(CC[NH+](Cc3cccc(Cl)c3Br)CC2)C1 ZINC000933643587 933111448 /nfs/dbraw/zinc/11/14/48/933111448.db2.gz AIJIPHCNRBLIKF-UHFFFAOYSA-N 1 2 370.674 3.940 20 30 FHEDLO Cc1ccccc1-c1nc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000276778373 933359006 /nfs/dbraw/zinc/35/90/06/933359006.db2.gz PZRSINADGVKFDS-UHFFFAOYSA-N 1 2 361.449 3.685 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(F)c1 ZINC000548423930 933605759 /nfs/dbraw/zinc/60/57/59/933605759.db2.gz ZFOMQGAYYWJBMD-AZUAARDMSA-N 1 2 352.409 3.884 20 30 FHEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(F)c1 ZINC000548423930 933605761 /nfs/dbraw/zinc/60/57/61/933605761.db2.gz ZFOMQGAYYWJBMD-AZUAARDMSA-N 1 2 352.409 3.884 20 30 FHEDLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001143412740 933824893 /nfs/dbraw/zinc/82/48/93/933824893.db2.gz FBYWTKNLCSGFAK-OAHLLOKOSA-N 1 2 358.388 3.888 20 30 FHEDLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001143412740 933824901 /nfs/dbraw/zinc/82/49/01/933824901.db2.gz FBYWTKNLCSGFAK-OAHLLOKOSA-N 1 2 358.388 3.888 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000178406145 933964908 /nfs/dbraw/zinc/96/49/08/933964908.db2.gz BCQBIBQUILNOOM-IBGZPJMESA-N 1 2 351.475 3.595 20 30 FHEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000176288072 934742627 /nfs/dbraw/zinc/74/26/27/934742627.db2.gz YMXWGXSLQXTOGX-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000176288072 934742630 /nfs/dbraw/zinc/74/26/30/934742630.db2.gz YMXWGXSLQXTOGX-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)c1C#N ZINC000934292915 935271829 /nfs/dbraw/zinc/27/18/29/935271829.db2.gz SAFYJYKSLJGQNT-IBGZPJMESA-N 1 2 351.450 3.925 20 30 FHEDLO Cc1sc2nc([C@H](C)[N@H+](C)Cc3cccc(C#N)c3)nc(N)c2c1C ZINC000125238930 935641450 /nfs/dbraw/zinc/64/14/50/935641450.db2.gz MNMMGJIWIOTRBJ-LBPRGKRZSA-N 1 2 351.479 3.955 20 30 FHEDLO Cc1sc2nc([C@H](C)[N@@H+](C)Cc3cccc(C#N)c3)nc(N)c2c1C ZINC000125238930 935641454 /nfs/dbraw/zinc/64/14/54/935641454.db2.gz MNMMGJIWIOTRBJ-LBPRGKRZSA-N 1 2 351.479 3.955 20 30 FHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000563366914 935752189 /nfs/dbraw/zinc/75/21/89/935752189.db2.gz KMNCVGSTRIKYNI-KRWDZBQOSA-N 1 2 365.481 3.750 20 30 FHEDLO C=CCC[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000582505526 935783410 /nfs/dbraw/zinc/78/34/10/935783410.db2.gz KYNXDNOXMBOVLB-INIZCTEOSA-N 1 2 351.372 3.805 20 30 FHEDLO Cn1cc(CNc2ccc(-n3cc[nH+]c3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479892375 935912512 /nfs/dbraw/zinc/91/25/12/935912512.db2.gz NLQJONCGDHKHLE-UHFFFAOYSA-N 1 2 354.417 3.757 20 30 FHEDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000075718225 936011303 /nfs/dbraw/zinc/01/13/03/936011303.db2.gz MJISEKWJZVQEHO-LBPRGKRZSA-N 1 2 353.451 3.875 20 30 FHEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000075718225 936011306 /nfs/dbraw/zinc/01/13/06/936011306.db2.gz MJISEKWJZVQEHO-LBPRGKRZSA-N 1 2 353.451 3.875 20 30 FHEDLO N#Cc1ccccc1CNc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001167634838 936263346 /nfs/dbraw/zinc/26/33/46/936263346.db2.gz JVEJSIGQZXJBLI-UHFFFAOYSA-N 1 2 352.401 3.813 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCc3c1cccc3F)C2 ZINC000329269117 938309055 /nfs/dbraw/zinc/30/90/55/938309055.db2.gz IHVNYAVAWOZWIU-SUMWQHHRSA-N 1 2 370.472 3.826 20 30 FHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000161890979 938423579 /nfs/dbraw/zinc/42/35/79/938423579.db2.gz ROWGHPWNGDJYLK-MRXNPFEDSA-N 1 2 357.527 3.988 20 30 FHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000161890979 938423580 /nfs/dbraw/zinc/42/35/80/938423580.db2.gz ROWGHPWNGDJYLK-MRXNPFEDSA-N 1 2 357.527 3.988 20 30 FHEDLO CC1(C)CCCc2sc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)nc21 ZINC000329509068 938456362 /nfs/dbraw/zinc/45/63/62/938456362.db2.gz JOJCSLCQPGUSAG-UHFFFAOYSA-N 1 2 359.499 3.905 20 30 FHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC001167673698 938580198 /nfs/dbraw/zinc/58/01/98/938580198.db2.gz DMUUCDJOQODACI-SFHVURJKSA-N 1 2 372.831 3.747 20 30 FHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC001167673698 938580199 /nfs/dbraw/zinc/58/01/99/938580199.db2.gz DMUUCDJOQODACI-SFHVURJKSA-N 1 2 372.831 3.747 20 30 FHEDLO C=CCn1c(COc2ccccc2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000159377915 938654644 /nfs/dbraw/zinc/65/46/44/938654644.db2.gz IZWXWPXNKJDEGE-UHFFFAOYSA-N 1 2 358.511 3.868 20 30 FHEDLO C=CCn1c(COc2ccccc2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000159377915 938654646 /nfs/dbraw/zinc/65/46/46/938654646.db2.gz IZWXWPXNKJDEGE-UHFFFAOYSA-N 1 2 358.511 3.868 20 30 FHEDLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccc(C#N)cc1 ZINC000162123290 938667299 /nfs/dbraw/zinc/66/72/99/938667299.db2.gz JSXGNTAXXXVHDR-HZPDHXFCSA-N 1 2 368.506 3.769 20 30 FHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000584323500 938686793 /nfs/dbraw/zinc/68/67/93/938686793.db2.gz RSVZRNPTVYNXPT-LBTNJELSSA-N 1 2 368.399 3.735 20 30 FHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000584323500 938686795 /nfs/dbraw/zinc/68/67/95/938686795.db2.gz RSVZRNPTVYNXPT-LBTNJELSSA-N 1 2 368.399 3.735 20 30 FHEDLO C[C@@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000458805232 938965008 /nfs/dbraw/zinc/96/50/08/938965008.db2.gz UJJQQTUPGQTRHG-RLLQIKCJSA-N 1 2 365.481 3.911 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(F)c3C#N)n2)C1 ZINC000188192092 939031499 /nfs/dbraw/zinc/03/14/99/939031499.db2.gz IVQAOFLDIDQENQ-GFCCVEGCSA-N 1 2 358.442 3.638 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(F)c3C#N)n2)C1 ZINC000188192092 939031502 /nfs/dbraw/zinc/03/15/02/939031502.db2.gz IVQAOFLDIDQENQ-GFCCVEGCSA-N 1 2 358.442 3.638 20 30 FHEDLO COc1cccc(CC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)c1 ZINC000612123337 939099503 /nfs/dbraw/zinc/09/95/03/939099503.db2.gz UZVPLIUGRGXZPZ-UHFFFAOYSA-N 1 2 369.490 3.522 20 30 FHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3c(F)cccc3C#N)n2)C1 ZINC000507449409 945243375 /nfs/dbraw/zinc/24/33/75/945243375.db2.gz HLUANLNUVDCZRH-ZDUSSCGKSA-N 1 2 372.469 3.567 20 30 FHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3c(F)cccc3C#N)n2)C1 ZINC000507449409 945243378 /nfs/dbraw/zinc/24/33/78/945243378.db2.gz HLUANLNUVDCZRH-ZDUSSCGKSA-N 1 2 372.469 3.567 20 30 FHEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cc2)c1 ZINC000364453262 939947413 /nfs/dbraw/zinc/94/74/13/939947413.db2.gz ATZNQNLQZATTMC-INIZCTEOSA-N 1 2 358.401 3.748 20 30 FHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364528651 939954749 /nfs/dbraw/zinc/95/47/49/939954749.db2.gz JTFMHOWNIGPZKH-SFHVURJKSA-N 1 2 364.493 3.948 20 30 FHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364528651 939954753 /nfs/dbraw/zinc/95/47/53/939954753.db2.gz JTFMHOWNIGPZKH-SFHVURJKSA-N 1 2 364.493 3.948 20 30 FHEDLO Cc1ccc2c(ncc(C#N)c2N[C@@H](C)Cn2cc[nH+]c2)c1Br ZINC000582937038 940945035 /nfs/dbraw/zinc/94/50/35/940945035.db2.gz JHZGYNUEBNPIHU-LBPRGKRZSA-N 1 2 370.254 3.875 20 30 FHEDLO C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176021982 940968455 /nfs/dbraw/zinc/96/84/55/940968455.db2.gz LELQPHXVALABCE-OAHLLOKOSA-N 1 2 362.458 3.979 20 30 FHEDLO CC(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000330129483 945368713 /nfs/dbraw/zinc/36/87/13/945368713.db2.gz OJRYRMQGJOYVAK-QMMLZNLJSA-N 1 2 360.498 3.610 20 30 FHEDLO CC(C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000330129483 945368724 /nfs/dbraw/zinc/36/87/24/945368724.db2.gz OJRYRMQGJOYVAK-QMMLZNLJSA-N 1 2 360.498 3.610 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189537081 941161132 /nfs/dbraw/zinc/16/11/32/941161132.db2.gz KYGWKXKRIOJRJQ-PKOBYXMFSA-N 1 2 370.403 3.712 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189537081 941161133 /nfs/dbraw/zinc/16/11/33/941161133.db2.gz KYGWKXKRIOJRJQ-PKOBYXMFSA-N 1 2 370.403 3.712 20 30 FHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC001143486088 941496315 /nfs/dbraw/zinc/49/63/15/941496315.db2.gz WQENXTXIZRBELU-CQSZACIVSA-N 1 2 372.387 3.591 20 30 FHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC001143486088 941496317 /nfs/dbraw/zinc/49/63/17/941496317.db2.gz WQENXTXIZRBELU-CQSZACIVSA-N 1 2 372.387 3.591 20 30 FHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000513247671 941806873 /nfs/dbraw/zinc/80/68/73/941806873.db2.gz UKHVZIKZKRLHEA-LBPRGKRZSA-N 1 2 363.433 3.927 20 30 FHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000377778776 941983465 /nfs/dbraw/zinc/98/34/65/941983465.db2.gz MEEVIFUZBZABKV-UHFFFAOYSA-N 1 2 373.416 3.903 20 30 FHEDLO N#Cc1cc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1F ZINC000541177266 942038343 /nfs/dbraw/zinc/03/83/43/942038343.db2.gz KIADSYUCUWDQSP-UHFFFAOYSA-N 1 2 355.417 3.618 20 30 FHEDLO CC[C@](C)(C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000505308336 942468965 /nfs/dbraw/zinc/46/89/65/942468965.db2.gz PFPOZLXEONJGFP-MAUKXSAKSA-N 1 2 351.853 3.672 20 30 FHEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1 ZINC000513996676 942657638 /nfs/dbraw/zinc/65/76/38/942657638.db2.gz KTJAORJCZJQBEH-IBGZPJMESA-N 1 2 356.853 3.692 20 30 FHEDLO C=CC[C@@H]1CCCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000664253031 942708919 /nfs/dbraw/zinc/70/89/19/942708919.db2.gz VYSZLTGYVJWIMT-IEBWSBKVSA-N 1 2 352.482 3.702 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C2 ZINC000425113657 942807077 /nfs/dbraw/zinc/80/70/77/942807077.db2.gz RESDDBHDNZQBJL-WMLDXEAASA-N 1 2 350.466 3.729 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000425113657 942807081 /nfs/dbraw/zinc/80/70/81/942807081.db2.gz RESDDBHDNZQBJL-WMLDXEAASA-N 1 2 350.466 3.729 20 30 FHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000378480894 942810057 /nfs/dbraw/zinc/81/00/57/942810057.db2.gz HQOUXNNUCWUAAM-KRWDZBQOSA-N 1 2 359.271 3.700 20 30 FHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000378480894 942810065 /nfs/dbraw/zinc/81/00/65/942810065.db2.gz HQOUXNNUCWUAAM-KRWDZBQOSA-N 1 2 359.271 3.700 20 30 FHEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000503063918 942945414 /nfs/dbraw/zinc/94/54/14/942945414.db2.gz OWJXCDVNMAVJBW-UHFFFAOYSA-N 1 2 351.450 3.914 20 30 FHEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000503063918 942945424 /nfs/dbraw/zinc/94/54/24/942945424.db2.gz OWJXCDVNMAVJBW-UHFFFAOYSA-N 1 2 351.450 3.914 20 30 FHEDLO C=C[C@H](CC(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1)c1ccccc1 ZINC000505558126 943026431 /nfs/dbraw/zinc/02/64/31/943026431.db2.gz PDFLPYYTPRYXPW-XLIONFOSSA-N 1 2 350.462 3.528 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000183775173 943147877 /nfs/dbraw/zinc/14/78/77/943147877.db2.gz SWKHQAWNLRZVSM-HNNXBMFYSA-N 1 2 354.479 3.839 20 30 FHEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000272473699 943161286 /nfs/dbraw/zinc/16/12/86/943161286.db2.gz AEWQXVMGNJQYDS-UHFFFAOYSA-N 1 2 361.243 3.625 20 30 FHEDLO COc1cc(Br)c(C[NH+]2CCC(C)(C#N)CC2)cc1OC ZINC000272480797 943162813 /nfs/dbraw/zinc/16/28/13/943162813.db2.gz BBHMDIVTJXBBOB-UHFFFAOYSA-N 1 2 353.260 3.592 20 30 FHEDLO COc1ccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)cc1OC ZINC000272497635 943165432 /nfs/dbraw/zinc/16/54/32/943165432.db2.gz DFKCBRWOPBEMRT-UHFFFAOYSA-N 1 2 357.479 3.953 20 30 FHEDLO CCSc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000613734167 943501616 /nfs/dbraw/zinc/50/16/16/943501616.db2.gz UHTOQOGOUWUMNA-UHFFFAOYSA-N 1 2 368.506 3.858 20 30 FHEDLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1cc(F)c(C(F)(F)F)cc1F)C(F)(F)F ZINC000558098395 943722401 /nfs/dbraw/zinc/72/24/01/943722401.db2.gz KHRHPUTUTGIDHK-RYUDHWBXSA-N 1 2 363.248 3.871 20 30 FHEDLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1cc(F)c(C(F)(F)F)cc1F)C(F)(F)F ZINC000558098395 943722405 /nfs/dbraw/zinc/72/24/05/943722405.db2.gz KHRHPUTUTGIDHK-RYUDHWBXSA-N 1 2 363.248 3.871 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)CCC#N)c(C)c1 ZINC000500109539 944115777 /nfs/dbraw/zinc/11/57/77/944115777.db2.gz NFLWWBUSSBFKQI-LJQANCHMSA-N 1 2 367.497 3.870 20 30 FHEDLO N#Cc1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(OC(F)F)c1 ZINC000517453905 944311694 /nfs/dbraw/zinc/31/16/94/944311694.db2.gz IVEUBTNUPKOJJR-UHFFFAOYSA-N 1 2 356.372 3.913 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(OC(F)F)c1 ZINC000517453905 944311700 /nfs/dbraw/zinc/31/17/00/944311700.db2.gz IVEUBTNUPKOJJR-UHFFFAOYSA-N 1 2 356.372 3.913 20 30 FHEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000121135313 944326918 /nfs/dbraw/zinc/32/69/18/944326918.db2.gz IFNMPCSPYKYKPI-HNNXBMFYSA-N 1 2 362.543 3.910 20 30 FHEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000121135313 944326926 /nfs/dbraw/zinc/32/69/26/944326926.db2.gz IFNMPCSPYKYKPI-HNNXBMFYSA-N 1 2 362.543 3.910 20 30 FHEDLO N#C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000505837691 944367155 /nfs/dbraw/zinc/36/71/55/944367155.db2.gz JHUIPEKYRDAPFL-GOSISDBHSA-N 1 2 350.809 3.579 20 30 FHEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000518447645 944386251 /nfs/dbraw/zinc/38/62/51/944386251.db2.gz NNMQBUHKIZFLHK-MRXNPFEDSA-N 1 2 370.403 3.623 20 30 FHEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000518447645 944386256 /nfs/dbraw/zinc/38/62/56/944386256.db2.gz NNMQBUHKIZFLHK-MRXNPFEDSA-N 1 2 370.403 3.623 20 30 FHEDLO C=CCCC1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000660428764 944690214 /nfs/dbraw/zinc/69/02/14/944690214.db2.gz DEMYQDDXJIWKDR-UHFFFAOYSA-N 1 2 356.514 3.876 20 30 FHEDLO N#CCCCOc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000516400328 944819052 /nfs/dbraw/zinc/81/90/52/944819052.db2.gz UOVGGWDYLBZHOU-UHFFFAOYSA-N 1 2 360.417 3.866 20 30 FHEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000505923518 944915086 /nfs/dbraw/zinc/91/50/86/944915086.db2.gz VGVGLZHIKDQOKF-KRWDZBQOSA-N 1 2 370.334 3.886 20 30 FHEDLO N#Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)o1 ZINC000432009473 944921341 /nfs/dbraw/zinc/92/13/41/944921341.db2.gz VYTGIYSPZWMCHG-OAHLLOKOSA-N 1 2 361.804 3.511 20 30 FHEDLO N#Cc1cccc(OCCCCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000518925037 944928585 /nfs/dbraw/zinc/92/85/85/944928585.db2.gz VFPKOSUIZAMGNC-UHFFFAOYSA-N 1 2 360.417 3.932 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(F)c(C#N)c2)c(C)c1 ZINC000516589312 945042007 /nfs/dbraw/zinc/04/20/07/945042007.db2.gz RRWMQMBRVUTTCH-HXUWFJFHSA-N 1 2 362.408 3.682 20 30 FHEDLO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1C ZINC000330145045 945375358 /nfs/dbraw/zinc/37/53/58/945375358.db2.gz ZZIFPJGQIHRSAU-BBTUJRGHSA-N 1 2 360.498 3.591 20 30 FHEDLO Cc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1C ZINC000330145045 945375371 /nfs/dbraw/zinc/37/53/71/945375371.db2.gz ZZIFPJGQIHRSAU-BBTUJRGHSA-N 1 2 360.498 3.591 20 30 FHEDLO CC[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccc(Cl)cc1 ZINC000330164398 945383383 /nfs/dbraw/zinc/38/33/83/945383383.db2.gz VYHHCAFQBMQHSB-FNHZYXHNSA-N 1 2 366.889 3.627 20 30 FHEDLO CC[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccc(Cl)cc1 ZINC000330164398 945383396 /nfs/dbraw/zinc/38/33/96/945383396.db2.gz VYHHCAFQBMQHSB-FNHZYXHNSA-N 1 2 366.889 3.627 20 30 FHEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC1(Cc2cccc(F)c2)CCC1 ZINC000330167614 945384836 /nfs/dbraw/zinc/38/48/36/945384836.db2.gz ZEBFGWOLMIQEMI-UHFFFAOYSA-N 1 2 356.445 3.528 20 30 FHEDLO O=C(NC[C@@H]1CCCC[C@H]1O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330253581 945426370 /nfs/dbraw/zinc/42/63/70/945426370.db2.gz OVTOEEZDGKTRGV-QFBILLFUSA-N 1 2 368.481 3.763 20 30 FHEDLO Cc1[nH+]c2c(n1[C@H]1CCN(CC(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330317811 945540864 /nfs/dbraw/zinc/54/08/64/945540864.db2.gz BXAUVGPSINOIIA-KRWDZBQOSA-N 1 2 369.513 3.500 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC#Cc2ccccc2)c(C)c1 ZINC000440819869 945920134 /nfs/dbraw/zinc/92/01/34/945920134.db2.gz MWWOELLSWIBUQP-JOCHJYFZSA-N 1 2 372.472 3.592 20 30 FHEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093477795 946629522 /nfs/dbraw/zinc/62/95/22/946629522.db2.gz OHYDVMMOMVTYCL-FQEVSTJZSA-N 1 2 367.497 3.954 20 30 FHEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093477795 946629524 /nfs/dbraw/zinc/62/95/24/946629524.db2.gz OHYDVMMOMVTYCL-FQEVSTJZSA-N 1 2 367.497 3.954 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCN(CC)[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000475346223 946927273 /nfs/dbraw/zinc/92/72/73/946927273.db2.gz BITZXZJADUSNDO-QGZVFWFLSA-N 1 2 360.889 3.507 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCN(CC)[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000475346223 946927275 /nfs/dbraw/zinc/92/72/75/946927275.db2.gz BITZXZJADUSNDO-QGZVFWFLSA-N 1 2 360.889 3.507 20 30 FHEDLO COc1ccccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475359640 946942694 /nfs/dbraw/zinc/94/26/94/946942694.db2.gz WQJXDBOECBDJJX-IBGZPJMESA-N 1 2 355.869 3.731 20 30 FHEDLO O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)[C@H]1CCn2c[nH+]cc2C1 ZINC000328651865 946967136 /nfs/dbraw/zinc/96/71/36/946967136.db2.gz KBANIIBNURWSPY-LBPRGKRZSA-N 1 2 364.371 3.612 20 30 FHEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC(c3ccc(O)cc3)CC1)CCC2 ZINC000328724791 946982343 /nfs/dbraw/zinc/98/23/43/946982343.db2.gz SZJMUMPHUIZCKQ-SFHVURJKSA-N 1 2 368.481 3.568 20 30 FHEDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1cccc2ccccc21 ZINC000328773821 947021780 /nfs/dbraw/zinc/02/17/80/947021780.db2.gz HMDROZIGRAZYMF-NIKGAXFTSA-N 1 2 351.450 3.908 20 30 FHEDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1cccc2ccccc21 ZINC000328773821 947021793 /nfs/dbraw/zinc/02/17/93/947021793.db2.gz HMDROZIGRAZYMF-NIKGAXFTSA-N 1 2 351.450 3.908 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)C2 ZINC000475399791 947024505 /nfs/dbraw/zinc/02/45/05/947024505.db2.gz WSGRVSULPKRJPV-SFHVURJKSA-N 1 2 364.493 3.947 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)CC2 ZINC000475399791 947024516 /nfs/dbraw/zinc/02/45/16/947024516.db2.gz WSGRVSULPKRJPV-SFHVURJKSA-N 1 2 364.493 3.947 20 30 FHEDLO O=C(Nc1cccc2c1CN(c1nccs1)C2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328806044 947030134 /nfs/dbraw/zinc/03/01/34/947030134.db2.gz CGZCGDXUXFIMKU-CYBMUJFWSA-N 1 2 365.462 3.710 20 30 FHEDLO C[C@H]1N(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCOC1(C)C ZINC000328809582 947031184 /nfs/dbraw/zinc/03/11/84/947031184.db2.gz MECHLSBSLZFFOL-OAHLLOKOSA-N 1 2 366.465 3.647 20 30 FHEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc2c(c1)COC2 ZINC000328834800 947056630 /nfs/dbraw/zinc/05/66/30/947056630.db2.gz SEOPZTADEVJYHP-UHFFFAOYSA-N 1 2 351.450 3.997 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000328885521 947082325 /nfs/dbraw/zinc/08/23/25/947082325.db2.gz ZFEJPAYQTNNGRE-QAPCUYQASA-N 1 2 352.482 3.936 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCc3cccc(F)c3C1)C2 ZINC000328992975 947137211 /nfs/dbraw/zinc/13/72/11/947137211.db2.gz IXCRQZPFVIQQSL-HNNXBMFYSA-N 1 2 370.472 3.607 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444719652 947160972 /nfs/dbraw/zinc/16/09/72/947160972.db2.gz ZLRBLCCVLURIJW-GHMZBOCLSA-N 1 2 371.428 3.710 20 30 FHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444719652 947160967 /nfs/dbraw/zinc/16/09/67/947160967.db2.gz ZLRBLCCVLURIJW-GHMZBOCLSA-N 1 2 371.428 3.710 20 30 FHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248788321 947303805 /nfs/dbraw/zinc/30/38/05/947303805.db2.gz NBVPYHMDURMDFG-SWLSCSKDSA-N 1 2 353.388 3.796 20 30 FHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248788321 947303819 /nfs/dbraw/zinc/30/38/19/947303819.db2.gz NBVPYHMDURMDFG-SWLSCSKDSA-N 1 2 353.388 3.796 20 30 FHEDLO C=CCn1c(CC2CCCCC2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508512259 947330214 /nfs/dbraw/zinc/33/02/14/947330214.db2.gz YRRQHMKVIVIGFO-UHFFFAOYSA-N 1 2 369.513 3.502 20 30 FHEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093810368 947354951 /nfs/dbraw/zinc/35/49/51/947354951.db2.gz YJENRTVRTULHMS-NRFANRHFSA-N 1 2 373.460 3.603 20 30 FHEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093810368 947354963 /nfs/dbraw/zinc/35/49/63/947354963.db2.gz YJENRTVRTULHMS-NRFANRHFSA-N 1 2 373.460 3.603 20 30 FHEDLO Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)C(F)(F)F ZINC000331325103 947386332 /nfs/dbraw/zinc/38/63/32/947386332.db2.gz MJZPDMNJYPTJFS-HNNXBMFYSA-N 1 2 369.391 3.796 20 30 FHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000331292158 947390209 /nfs/dbraw/zinc/39/02/09/947390209.db2.gz KXLNVLXBAJOWJU-UHFFFAOYSA-N 1 2 364.248 3.569 20 30 FHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000331292158 947390221 /nfs/dbraw/zinc/39/02/21/947390221.db2.gz KXLNVLXBAJOWJU-UHFFFAOYSA-N 1 2 364.248 3.569 20 30 FHEDLO N#Cc1cc(F)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(F)c1 ZINC000129522289 947420852 /nfs/dbraw/zinc/42/08/52/947420852.db2.gz RNSGIMSBDFODMS-UHFFFAOYSA-N 1 2 358.735 3.928 20 30 FHEDLO C=CCCC1(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@@H]2C)CC1 ZINC000441451968 947512264 /nfs/dbraw/zinc/51/22/64/947512264.db2.gz VEXAKNWUPAFDTJ-SFHVURJKSA-N 1 2 356.510 3.864 20 30 FHEDLO C=CCCC1(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@@H]2C)CC1 ZINC000441451968 947512270 /nfs/dbraw/zinc/51/22/70/947512270.db2.gz VEXAKNWUPAFDTJ-SFHVURJKSA-N 1 2 356.510 3.864 20 30 FHEDLO N#Cc1ccc(OCc2cccc(C(=O)NCCCCn3cc[nH+]c3)c2)cc1 ZINC000523720569 947532188 /nfs/dbraw/zinc/53/21/88/947532188.db2.gz MMDSWVDIPGHHQC-UHFFFAOYSA-N 1 2 374.444 3.544 20 30 FHEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000027735108 947658110 /nfs/dbraw/zinc/65/81/10/947658110.db2.gz BMGCUAZCQOREIG-AWEZNQCLSA-N 1 2 363.889 3.512 20 30 FHEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000027735108 947658113 /nfs/dbraw/zinc/65/81/13/947658113.db2.gz BMGCUAZCQOREIG-AWEZNQCLSA-N 1 2 363.889 3.512 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)s2)c(C)c1 ZINC000441491766 948008634 /nfs/dbraw/zinc/00/86/34/948008634.db2.gz PFHIIIJVKQWSEJ-KRWDZBQOSA-N 1 2 350.447 3.604 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cccc(CC#N)c2)c(C)c1 ZINC000441501492 948127907 /nfs/dbraw/zinc/12/79/07/948127907.db2.gz QITXYQYDXSRQMF-OAQYLSRUSA-N 1 2 358.445 3.737 20 30 FHEDLO N#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000106419687 948181453 /nfs/dbraw/zinc/18/14/53/948181453.db2.gz JQOURAPQVKKRTG-GOSISDBHSA-N 1 2 350.809 3.579 20 30 FHEDLO N#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000106419684 948181549 /nfs/dbraw/zinc/18/15/49/948181549.db2.gz JQOURAPQVKKRTG-SFHVURJKSA-N 1 2 350.809 3.579 20 30 FHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000182663268 948302019 /nfs/dbraw/zinc/30/20/19/948302019.db2.gz GBDCOMNJILFMQA-OAHLLOKOSA-N 1 2 351.406 3.516 20 30 FHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000182663268 948302025 /nfs/dbraw/zinc/30/20/25/948302025.db2.gz GBDCOMNJILFMQA-OAHLLOKOSA-N 1 2 351.406 3.516 20 30 FHEDLO N#Cc1ccc(C2(C(=O)N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)CC2)cc1 ZINC000574699250 948355323 /nfs/dbraw/zinc/35/53/23/948355323.db2.gz ZAXZMJGDLGFXJY-WGSAOQKQSA-N 1 2 360.461 3.524 20 30 FHEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000278998519 948382326 /nfs/dbraw/zinc/38/23/26/948382326.db2.gz SWFNICVNMDLLJA-OAHLLOKOSA-N 1 2 363.870 3.531 20 30 FHEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000278998519 948382333 /nfs/dbraw/zinc/38/23/33/948382333.db2.gz SWFNICVNMDLLJA-OAHLLOKOSA-N 1 2 363.870 3.531 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000512181935 948701522 /nfs/dbraw/zinc/70/15/22/948701522.db2.gz RFZHSKKRYZLSAZ-QGZVFWFLSA-N 1 2 356.466 3.794 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000512181935 948701525 /nfs/dbraw/zinc/70/15/25/948701525.db2.gz RFZHSKKRYZLSAZ-QGZVFWFLSA-N 1 2 356.466 3.794 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccc(F)cc1F ZINC000022965052 211372788 /nfs/dbraw/zinc/37/27/88/211372788.db2.gz WIRVEQDHCJDPLK-LLVKDONJSA-N 1 2 363.795 3.949 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000022965052 211372793 /nfs/dbraw/zinc/37/27/93/211372793.db2.gz WIRVEQDHCJDPLK-LLVKDONJSA-N 1 2 363.795 3.949 20 30 FHEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000078948112 132192667 /nfs/dbraw/zinc/19/26/67/132192667.db2.gz CJWSIFQZOKIMBK-UHFFFAOYSA-N 1 2 368.440 3.583 20 30 FHEDLO C=CCC[C@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000186612967 567959081 /nfs/dbraw/zinc/95/90/81/567959081.db2.gz FJMBVFZULZMSSI-QUCCMNQESA-N 1 2 351.494 3.951 20 30 FHEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(OCC(F)(F)F)c1Br ZINC000602868347 568008640 /nfs/dbraw/zinc/00/86/40/568008640.db2.gz ANXHJJBIRHSTKG-VIFPVBQESA-N 1 2 351.166 3.782 20 30 FHEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000602869955 568008922 /nfs/dbraw/zinc/00/89/22/568008922.db2.gz RDXAQWDBTSVRCW-SUMWQHHRSA-N 1 2 370.840 3.502 20 30 FHEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000481692306 568089190 /nfs/dbraw/zinc/08/91/90/568089190.db2.gz JWCPYFMIOCPMAF-LSTHTHJFSA-N 1 2 352.409 3.837 20 30 FHEDLO N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3-n3cc[nH+]c3)on2)c1 ZINC000569305430 568356016 /nfs/dbraw/zinc/35/60/16/568356016.db2.gz NEPIKXKQBZONAH-UHFFFAOYSA-N 1 2 355.357 3.651 20 30 FHEDLO CC1(C)C[N@@H+]([C@@H](CNc2cccnc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000569633505 568411303 /nfs/dbraw/zinc/41/13/03/568411303.db2.gz DULXZMWEUBEHFE-IBGZPJMESA-N 1 2 370.884 3.871 20 30 FHEDLO CC1(C)C[N@H+]([C@@H](CNc2cccnc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000569633505 568411304 /nfs/dbraw/zinc/41/13/04/568411304.db2.gz DULXZMWEUBEHFE-IBGZPJMESA-N 1 2 370.884 3.871 20 30 FHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000583032138 936384893 /nfs/dbraw/zinc/38/48/93/936384893.db2.gz BQMCYLWSYLHSNZ-AWEZNQCLSA-N 1 2 357.816 3.779 20 30 FHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000583032138 936384896 /nfs/dbraw/zinc/38/48/96/936384896.db2.gz BQMCYLWSYLHSNZ-AWEZNQCLSA-N 1 2 357.816 3.779 20 30 FHEDLO N#Cc1ccccc1OC1CC[NH+](Cc2ccncc2Br)CC1 ZINC001137695478 937170078 /nfs/dbraw/zinc/17/00/78/937170078.db2.gz ABYJABCFQKDKOH-UHFFFAOYSA-N 1 2 372.266 3.759 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)nc1 ZINC000583152225 937176100 /nfs/dbraw/zinc/17/61/00/937176100.db2.gz TZFLDMSKUBNVDL-QFIPXVFZSA-N 1 2 370.456 3.501 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)nc1 ZINC000583152225 937176101 /nfs/dbraw/zinc/17/61/01/937176101.db2.gz TZFLDMSKUBNVDL-QFIPXVFZSA-N 1 2 370.456 3.501 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000535946584 937187884 /nfs/dbraw/zinc/18/78/84/937187884.db2.gz PYYDLPAJIMTGLS-HXUWFJFHSA-N 1 2 370.456 3.841 20 30 FHEDLO C[C@@H](CC1CCCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000510081331 927897562 /nfs/dbraw/zinc/89/75/62/927897562.db2.gz KGKXKWOABSROOQ-SFHVURJKSA-N 1 2 353.510 3.809 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728197037 928053300 /nfs/dbraw/zinc/05/33/00/928053300.db2.gz XYNZFBQGNULVOJ-HXUWFJFHSA-N 1 2 364.489 3.965 20 30 FHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728197037 928053322 /nfs/dbraw/zinc/05/33/22/928053322.db2.gz XYNZFBQGNULVOJ-HXUWFJFHSA-N 1 2 364.489 3.965 20 30 FHEDLO C#CC[N@@H+](CN1C[C@@H](c2cccc(F)c2)CC1=O)[C@@H]1CCc2ccccc21 ZINC000728196717 928056077 /nfs/dbraw/zinc/05/60/77/928056077.db2.gz SVDFYNNKYZODHH-SIKLNZKXSA-N 1 2 362.448 3.722 20 30 FHEDLO C#CC[N@H+](CN1C[C@@H](c2cccc(F)c2)CC1=O)[C@@H]1CCc2ccccc21 ZINC000728196717 928056099 /nfs/dbraw/zinc/05/60/99/928056099.db2.gz SVDFYNNKYZODHH-SIKLNZKXSA-N 1 2 362.448 3.722 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000157606095 928328828 /nfs/dbraw/zinc/32/88/28/928328828.db2.gz KAWKUYKMCDOFJT-HXUWFJFHSA-N 1 2 372.852 3.673 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000157606095 928328833 /nfs/dbraw/zinc/32/88/33/928328833.db2.gz KAWKUYKMCDOFJT-HXUWFJFHSA-N 1 2 372.852 3.673 20 30 FHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117634159 928420830 /nfs/dbraw/zinc/42/08/30/928420830.db2.gz XRDFMDZMDMAFHE-UHFFFAOYSA-N 1 2 362.389 3.609 20 30 FHEDLO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)Cc1cccs1 ZINC000079871726 937248460 /nfs/dbraw/zinc/24/84/60/937248460.db2.gz WEBQDRINUXXREE-MRXNPFEDSA-N 1 2 358.507 3.964 20 30 FHEDLO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)Cc1cccs1 ZINC000079871726 937248462 /nfs/dbraw/zinc/24/84/62/937248462.db2.gz WEBQDRINUXXREE-MRXNPFEDSA-N 1 2 358.507 3.964 20 30 FHEDLO C[C@@H](c1ccccc1)[NH+]1CCC(/N=C\c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000254950402 928471204 /nfs/dbraw/zinc/47/12/04/928471204.db2.gz CCZZHWWLXFGNLU-JTMDUIFQSA-N 1 2 353.422 3.945 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)Cc1cccc(C#N)c1 ZINC000063300368 928951688 /nfs/dbraw/zinc/95/16/88/928951688.db2.gz IIYCNQSANYRYGM-UHFFFAOYSA-N 1 2 351.475 3.907 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc(SC)cc1)Cc1cccc(C#N)c1 ZINC000063300368 928951700 /nfs/dbraw/zinc/95/17/00/928951700.db2.gz IIYCNQSANYRYGM-UHFFFAOYSA-N 1 2 351.475 3.907 20 30 FHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000583291729 937323389 /nfs/dbraw/zinc/32/33/89/937323389.db2.gz CMZXFFMEOYMZGH-AWEZNQCLSA-N 1 2 365.662 3.618 20 30 FHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000583291729 937323391 /nfs/dbraw/zinc/32/33/91/937323391.db2.gz CMZXFFMEOYMZGH-AWEZNQCLSA-N 1 2 365.662 3.618 20 30 FHEDLO C=C(C)[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000275063054 929390676 /nfs/dbraw/zinc/39/06/76/929390676.db2.gz NQCSJASHSLFDFO-QGZVFWFLSA-N 1 2 360.408 3.894 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610323099 929936397 /nfs/dbraw/zinc/93/63/97/929936397.db2.gz DUBORAPKEKXJDN-IBGZPJMESA-N 1 2 359.433 3.706 20 30 FHEDLO C[C@@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(C#N)c1 ZINC000610357897 930118827 /nfs/dbraw/zinc/11/88/27/930118827.db2.gz VYNVMQRJSZZZGO-UZLBHIALSA-N 1 2 373.460 3.636 20 30 FHEDLO CC1(C)C[N@@H+]([C@@H](CNc2cc(C#N)ccn2)c2ccc(Cl)cc2)CCO1 ZINC000580303712 930454378 /nfs/dbraw/zinc/45/43/78/930454378.db2.gz MXOCUDFYYKDXAY-SFHVURJKSA-N 1 2 370.884 3.871 20 30 FHEDLO CC1(C)C[N@H+]([C@@H](CNc2cc(C#N)ccn2)c2ccc(Cl)cc2)CCO1 ZINC000580303712 930454383 /nfs/dbraw/zinc/45/43/83/930454383.db2.gz MXOCUDFYYKDXAY-SFHVURJKSA-N 1 2 370.884 3.871 20 30 FHEDLO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1OCc1cccc(C#N)c1 ZINC000610412915 930461391 /nfs/dbraw/zinc/46/13/91/930461391.db2.gz LXAXDMCSLRGFPP-BGYRXZFFSA-N 1 2 364.445 3.509 20 30 FHEDLO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1OCc1cccc(C#N)c1 ZINC000610412915 930461394 /nfs/dbraw/zinc/46/13/94/930461394.db2.gz LXAXDMCSLRGFPP-BGYRXZFFSA-N 1 2 364.445 3.509 20 30 FHEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156796200 931524973 /nfs/dbraw/zinc/52/49/73/931524973.db2.gz VOPXJJFQVCZPIJ-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156796200 931524977 /nfs/dbraw/zinc/52/49/77/931524977.db2.gz VOPXJJFQVCZPIJ-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO Cc1c(C(=O)/C=C\c2cccc3[nH+]ccn32)nnn1-c1cccc(Cl)c1 ZINC000255266030 931555412 /nfs/dbraw/zinc/55/54/12/931555412.db2.gz NWPUHJLDXXGLFJ-HJWRWDBZSA-N 1 2 363.808 3.773 20 30 FHEDLO N#Cc1csc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000581223498 931703643 /nfs/dbraw/zinc/70/36/43/931703643.db2.gz RLHQKFWRSSKMPZ-VIFPVBQESA-N 1 2 358.414 3.870 20 30 FHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000581223498 931703647 /nfs/dbraw/zinc/70/36/47/931703647.db2.gz RLHQKFWRSSKMPZ-VIFPVBQESA-N 1 2 358.414 3.870 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000077233992 932056760 /nfs/dbraw/zinc/05/67/60/932056760.db2.gz HBVNKHVKVOOQQK-INIZCTEOSA-N 1 2 356.491 3.546 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000077233992 932056769 /nfs/dbraw/zinc/05/67/69/932056769.db2.gz HBVNKHVKVOOQQK-INIZCTEOSA-N 1 2 356.491 3.546 20 30 FHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000581840324 932718408 /nfs/dbraw/zinc/71/84/08/932718408.db2.gz DQTMHNNXXYFVHI-CQSZACIVSA-N 1 2 360.479 3.781 20 30 FHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000581840324 932718413 /nfs/dbraw/zinc/71/84/13/932718413.db2.gz DQTMHNNXXYFVHI-CQSZACIVSA-N 1 2 360.479 3.781 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000510497107 933064933 /nfs/dbraw/zinc/06/49/33/933064933.db2.gz TXEJOKMFGMKSLO-HOTGVXAUSA-N 1 2 363.461 3.728 20 30 FHEDLO CC(C)c1noc2ncc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc21 ZINC000328916101 933173480 /nfs/dbraw/zinc/17/34/80/933173480.db2.gz RDBISZRMMMOTOK-UHFFFAOYSA-N 1 2 365.437 3.715 20 30 FHEDLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000510561201 933225814 /nfs/dbraw/zinc/22/58/14/933225814.db2.gz VIQGMBBJWXBYLU-NHCUHLMSSA-N 1 2 368.525 3.600 20 30 FHEDLO Cc1ccc(C#N)cc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000127382784 933662353 /nfs/dbraw/zinc/66/23/53/933662353.db2.gz NROQWRDPJAZZGT-UHFFFAOYSA-N 1 2 363.442 3.657 20 30 FHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000610675045 933737936 /nfs/dbraw/zinc/73/79/36/933737936.db2.gz SKFGJMLGDPOYPV-GUYCJALGSA-N 1 2 353.919 3.832 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000610675045 933737937 /nfs/dbraw/zinc/73/79/37/933737937.db2.gz SKFGJMLGDPOYPV-GUYCJALGSA-N 1 2 353.919 3.832 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091896512 933914036 /nfs/dbraw/zinc/91/40/36/933914036.db2.gz PMHZVHHDJGQFBX-OAHLLOKOSA-N 1 2 369.415 3.658 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091896512 933914042 /nfs/dbraw/zinc/91/40/42/933914042.db2.gz PMHZVHHDJGQFBX-OAHLLOKOSA-N 1 2 369.415 3.658 20 30 FHEDLO CCOc1c(Br)cc(C[N@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091982569 933931557 /nfs/dbraw/zinc/93/15/57/933931557.db2.gz DKMIEHYEFKCPKZ-LBPRGKRZSA-N 1 2 355.276 3.838 20 30 FHEDLO CCOc1c(Br)cc(C[N@@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091982569 933931560 /nfs/dbraw/zinc/93/15/60/933931560.db2.gz DKMIEHYEFKCPKZ-LBPRGKRZSA-N 1 2 355.276 3.838 20 30 FHEDLO C[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)C[C@H]1n1cc[nH+]c1 ZINC000610726473 933993210 /nfs/dbraw/zinc/99/32/10/933993210.db2.gz VPBLEACIQMMIRP-BLLLJJGKSA-N 1 2 353.376 3.669 20 30 FHEDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)COc1cccc(C#N)c1)c1ccccc1 ZINC000780373213 934124438 /nfs/dbraw/zinc/12/44/38/934124438.db2.gz MKNFYPMBFUGGQM-OXQOHEQNSA-N 1 2 352.434 3.562 20 30 FHEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)COc1cccc(C#N)c1)c1ccccc1 ZINC000780373213 934124445 /nfs/dbraw/zinc/12/44/45/934124445.db2.gz MKNFYPMBFUGGQM-OXQOHEQNSA-N 1 2 352.434 3.562 20 30 FHEDLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001143418339 934474885 /nfs/dbraw/zinc/47/48/85/934474885.db2.gz RBAVKKMHZYIYPJ-INIZCTEOSA-N 1 2 358.388 3.888 20 30 FHEDLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001143418339 934474888 /nfs/dbraw/zinc/47/48/88/934474888.db2.gz RBAVKKMHZYIYPJ-INIZCTEOSA-N 1 2 358.388 3.888 20 30 FHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176269403 934711502 /nfs/dbraw/zinc/71/15/02/934711502.db2.gz SIEZEZJVTRXQQJ-FOIQADDNSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176269403 934711507 /nfs/dbraw/zinc/71/15/07/934711507.db2.gz SIEZEZJVTRXQQJ-FOIQADDNSA-N 1 2 372.465 3.554 20 30 FHEDLO N#Cc1ccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c(OC(F)F)c1 ZINC000538941003 934960880 /nfs/dbraw/zinc/96/08/80/934960880.db2.gz RNODJKNSRGYQSH-UHFFFAOYSA-N 1 2 368.265 3.971 20 30 FHEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCCNc3cccc[nH+]3)cc2)cc1 ZINC000519052016 945076873 /nfs/dbraw/zinc/07/68/73/945076873.db2.gz DIODWKLVLVFWLU-UHFFFAOYSA-N 1 2 373.416 3.979 20 30 FHEDLO CC[C@](C)(C#N)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000375680986 935428703 /nfs/dbraw/zinc/42/87/03/935428703.db2.gz TWGSZHAFVFMCAJ-LJQANCHMSA-N 1 2 354.479 3.580 20 30 FHEDLO CC[C@](C)(C#N)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000375680986 935428706 /nfs/dbraw/zinc/42/87/06/935428706.db2.gz TWGSZHAFVFMCAJ-LJQANCHMSA-N 1 2 354.479 3.580 20 30 FHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000506387975 945100875 /nfs/dbraw/zinc/10/08/75/945100875.db2.gz UEBLRSLDEXKHSA-UHFFFAOYSA-N 1 2 352.507 3.995 20 30 FHEDLO Cc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000478431926 935631798 /nfs/dbraw/zinc/63/17/98/935631798.db2.gz TUSCJFAIHUJVRF-KRWDZBQOSA-N 1 2 356.491 3.642 20 30 FHEDLO Cc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000478431926 935631801 /nfs/dbraw/zinc/63/18/01/935631801.db2.gz TUSCJFAIHUJVRF-KRWDZBQOSA-N 1 2 356.491 3.642 20 30 FHEDLO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152508071 935709377 /nfs/dbraw/zinc/70/93/77/935709377.db2.gz QAPVRXHTUUJFIZ-RTBURBONSA-N 1 2 371.843 3.834 20 30 FHEDLO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152508071 935709379 /nfs/dbraw/zinc/70/93/79/935709379.db2.gz QAPVRXHTUUJFIZ-RTBURBONSA-N 1 2 371.843 3.834 20 30 FHEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000582580760 935849856 /nfs/dbraw/zinc/84/98/56/935849856.db2.gz SVJWQYAUUJQGJM-SWLSCSKDSA-N 1 2 365.264 3.522 20 30 FHEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000582602740 935864413 /nfs/dbraw/zinc/86/44/13/935864413.db2.gz UZPMWZZVWOQKKS-MOPGFXCFSA-N 1 2 366.465 3.742 20 30 FHEDLO N#Cc1cccc(-c2cc(C(F)(F)F)c(NCc3cc[nH+]c(N)c3)nn2)c1 ZINC001167617712 936125490 /nfs/dbraw/zinc/12/54/90/936125490.db2.gz XEVSKQNHTPABQM-UHFFFAOYSA-N 1 2 370.338 3.623 20 30 FHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000140543353 945158100 /nfs/dbraw/zinc/15/81/00/945158100.db2.gz LJBHDXCKXGLTDF-HNNXBMFYSA-N 1 2 359.882 3.919 20 30 FHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000140543353 945158106 /nfs/dbraw/zinc/15/81/06/945158106.db2.gz LJBHDXCKXGLTDF-HNNXBMFYSA-N 1 2 359.882 3.919 20 30 FHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000728570229 938290314 /nfs/dbraw/zinc/29/03/14/938290314.db2.gz YYVBLGWQBBYJIF-KDOFPFPSSA-N 1 2 361.461 3.965 20 30 FHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000728570229 938290316 /nfs/dbraw/zinc/29/03/16/938290316.db2.gz YYVBLGWQBBYJIF-KDOFPFPSSA-N 1 2 361.461 3.965 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(-c2ccccn2)s1 ZINC000583720210 938373001 /nfs/dbraw/zinc/37/30/01/938373001.db2.gz XLWDAPBBNULEAW-UHFFFAOYSA-N 1 2 355.463 3.869 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(-c2ccccn2)s1 ZINC000583720210 938373005 /nfs/dbraw/zinc/37/30/05/938373005.db2.gz XLWDAPBBNULEAW-UHFFFAOYSA-N 1 2 355.463 3.869 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000247076455 938434504 /nfs/dbraw/zinc/43/45/04/938434504.db2.gz HXWJUNIMOSDWEK-PZJWPPBQSA-N 1 2 352.482 3.749 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000247076455 938434506 /nfs/dbraw/zinc/43/45/06/938434506.db2.gz HXWJUNIMOSDWEK-PZJWPPBQSA-N 1 2 352.482 3.749 20 30 FHEDLO C=C[C@H](CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccccc1 ZINC000536159889 938476536 /nfs/dbraw/zinc/47/65/36/938476536.db2.gz GXRIAXUKSRXYBN-HXUWFJFHSA-N 1 2 363.505 3.732 20 30 FHEDLO N#C[C@@H]1CC[C@H](Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)C1 ZINC000278497407 938479327 /nfs/dbraw/zinc/47/93/27/938479327.db2.gz CHGOURYNUZGQSZ-WBVHZDCISA-N 1 2 353.495 3.647 20 30 FHEDLO COc1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1Br)C2 ZINC000611812396 938664532 /nfs/dbraw/zinc/66/45/32/938664532.db2.gz ONPAUIDHKZMLCS-UHFFFAOYSA-N 1 2 357.251 3.888 20 30 FHEDLO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1Br)C2 ZINC000611812396 938664533 /nfs/dbraw/zinc/66/45/33/938664533.db2.gz ONPAUIDHKZMLCS-UHFFFAOYSA-N 1 2 357.251 3.888 20 30 FHEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000128164023 938789165 /nfs/dbraw/zinc/78/91/65/938789165.db2.gz APBHMSNJVFHBSS-CQSZACIVSA-N 1 2 360.483 3.656 20 30 FHEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000128164023 938789166 /nfs/dbraw/zinc/78/91/66/938789166.db2.gz APBHMSNJVFHBSS-CQSZACIVSA-N 1 2 360.483 3.656 20 30 FHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278763246 938833258 /nfs/dbraw/zinc/83/32/58/938833258.db2.gz MTPRSMSHTLHMDC-GFCCVEGCSA-N 1 2 357.401 3.515 20 30 FHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278763246 938833261 /nfs/dbraw/zinc/83/32/61/938833261.db2.gz MTPRSMSHTLHMDC-GFCCVEGCSA-N 1 2 357.401 3.515 20 30 FHEDLO CC(C)[C@H](C#N)N1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000612106455 939062357 /nfs/dbraw/zinc/06/23/57/939062357.db2.gz BGYFAWZSRNUZIZ-SFHVURJKSA-N 1 2 364.331 3.547 20 30 FHEDLO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@](C)(C#N)C4)nc(N)c23)C1 ZINC000612155088 939154434 /nfs/dbraw/zinc/15/44/34/939154434.db2.gz NWPYYOKAUBHLCI-RNODOKPDSA-N 1 2 369.538 3.566 20 30 FHEDLO C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@](C)(C#N)C4)nc(N)c23)C1 ZINC000612155088 939154437 /nfs/dbraw/zinc/15/44/37/939154437.db2.gz NWPYYOKAUBHLCI-RNODOKPDSA-N 1 2 369.538 3.566 20 30 FHEDLO C[C@@]1(C#N)CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000612321741 939997885 /nfs/dbraw/zinc/99/78/85/939997885.db2.gz CXYFWKLEYLISKZ-NRFANRHFSA-N 1 2 361.449 3.759 20 30 FHEDLO COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329943737 940039931 /nfs/dbraw/zinc/03/99/31/940039931.db2.gz HXBXOMPDUOTOSW-RYGJVYDSSA-N 1 2 368.481 3.766 20 30 FHEDLO C[NH+](C)[C@@H](C(=O)Nc1nc2c(cc1C#N)CCCC2)c1ccc(Cl)cc1 ZINC000581318776 940498941 /nfs/dbraw/zinc/49/89/41/940498941.db2.gz HRJYIUPBGDWKCQ-GOSISDBHSA-N 1 2 368.868 3.727 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431785849 940500911 /nfs/dbraw/zinc/50/09/11/940500911.db2.gz QAYYLUWEHXWPKZ-UHFFFAOYSA-N 1 2 359.473 3.731 20 30 FHEDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000582332590 940666170 /nfs/dbraw/zinc/66/61/70/940666170.db2.gz TXUFOJMJIWIHOD-MRXNPFEDSA-N 1 2 354.372 3.883 20 30 FHEDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000582332590 940666171 /nfs/dbraw/zinc/66/61/71/940666171.db2.gz TXUFOJMJIWIHOD-MRXNPFEDSA-N 1 2 354.372 3.883 20 30 FHEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330126430 945366825 /nfs/dbraw/zinc/36/68/25/945366825.db2.gz MJAHYNPQAFJQSY-LBTNJELSSA-N 1 2 352.862 3.586 20 30 FHEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330126430 945366830 /nfs/dbraw/zinc/36/68/30/945366830.db2.gz MJAHYNPQAFJQSY-LBTNJELSSA-N 1 2 352.862 3.586 20 30 FHEDLO O=C(CCc1c[nH]c[nH+]1)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000330030879 941341932 /nfs/dbraw/zinc/34/19/32/941341932.db2.gz SFGNKVXLLJHSFE-HNNXBMFYSA-N 1 2 373.457 3.783 20 30 FHEDLO O=C(CCc1c[nH+]c[nH]1)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000330030879 941341937 /nfs/dbraw/zinc/34/19/37/941341937.db2.gz SFGNKVXLLJHSFE-HNNXBMFYSA-N 1 2 373.457 3.783 20 30 FHEDLO CC(C)(CCC#N)CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000377028866 941496509 /nfs/dbraw/zinc/49/65/09/941496509.db2.gz DTBCFIZLNSPTGF-MOPGFXCFSA-N 1 2 365.481 3.741 20 30 FHEDLO C=CCc1ccc(OCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(OC)c1 ZINC000047514914 941695780 /nfs/dbraw/zinc/69/57/80/941695780.db2.gz ILRQDFXTHNCIOE-UHFFFAOYSA-N 1 2 363.417 3.627 20 30 FHEDLO C=CCC[C@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000433764382 941882194 /nfs/dbraw/zinc/88/21/94/941882194.db2.gz HAFBMFFOUHYUTJ-MOPGFXCFSA-N 1 2 352.482 3.947 20 30 FHEDLO C=CCC[C@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000433764382 941882198 /nfs/dbraw/zinc/88/21/98/941882198.db2.gz HAFBMFFOUHYUTJ-MOPGFXCFSA-N 1 2 352.482 3.947 20 30 FHEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000728711918 941982243 /nfs/dbraw/zinc/98/22/43/941982243.db2.gz QKPVTBZERDXNRT-MGPUTAFESA-N 1 2 364.424 3.729 20 30 FHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Br)cn3)CC2)cc1 ZINC000513725025 942125057 /nfs/dbraw/zinc/12/50/57/942125057.db2.gz KQZVGTUCSZCHEE-UHFFFAOYSA-N 1 2 372.266 3.759 20 30 FHEDLO CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000280296432 942154360 /nfs/dbraw/zinc/15/43/60/942154360.db2.gz PDPZYMKURRBITB-UHFFFAOYSA-N 1 2 363.461 3.572 20 30 FHEDLO COC(=O)c1ccc(F)c(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000181947259 942181226 /nfs/dbraw/zinc/18/12/26/942181226.db2.gz AKKHVUUKEZPJNA-UHFFFAOYSA-N 1 2 373.268 3.929 20 30 FHEDLO COC(=O)c1ccc(F)c(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000181947259 942181281 /nfs/dbraw/zinc/18/12/81/942181281.db2.gz AKKHVUUKEZPJNA-UHFFFAOYSA-N 1 2 373.268 3.929 20 30 FHEDLO C=CCN(CC=C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501038669 942279549 /nfs/dbraw/zinc/27/95/49/942279549.db2.gz XTPGVSWPQNLMIL-KRWDZBQOSA-N 1 2 365.880 4.000 20 30 FHEDLO CSc1ccccc1C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000366834033 942427407 /nfs/dbraw/zinc/42/74/07/942427407.db2.gz UFOSIVIFEQEZCL-UHFFFAOYSA-N 1 2 350.447 3.962 20 30 FHEDLO CSc1ccccc1C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000366834033 942427414 /nfs/dbraw/zinc/42/74/14/942427414.db2.gz UFOSIVIFEQEZCL-UHFFFAOYSA-N 1 2 350.447 3.962 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000502545556 942524719 /nfs/dbraw/zinc/52/47/19/942524719.db2.gz WJECJPBYSOINPH-UHFFFAOYSA-N 1 2 367.412 3.769 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000502545556 942524726 /nfs/dbraw/zinc/52/47/26/942524726.db2.gz WJECJPBYSOINPH-UHFFFAOYSA-N 1 2 367.412 3.769 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C2 ZINC000425113655 942806793 /nfs/dbraw/zinc/80/67/93/942806793.db2.gz RESDDBHDNZQBJL-RHSMWYFYSA-N 1 2 350.466 3.729 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC2 ZINC000425113655 942806800 /nfs/dbraw/zinc/80/68/00/942806800.db2.gz RESDDBHDNZQBJL-RHSMWYFYSA-N 1 2 350.466 3.729 20 30 FHEDLO N#Cc1ccc(CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C2CC2)cc1 ZINC000425144171 942878458 /nfs/dbraw/zinc/87/84/58/942878458.db2.gz MCWJJEHOASPISN-OAQYLSRUSA-N 1 2 370.456 3.995 20 30 FHEDLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000430090459 942884621 /nfs/dbraw/zinc/88/46/21/942884621.db2.gz NUHGVXQNLTUQDO-SCLBCKFNSA-N 1 2 363.383 3.878 20 30 FHEDLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000430090459 942884626 /nfs/dbraw/zinc/88/46/26/942884626.db2.gz NUHGVXQNLTUQDO-SCLBCKFNSA-N 1 2 363.383 3.878 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000434783857 942962850 /nfs/dbraw/zinc/96/28/50/942962850.db2.gz BLARFPNJEGJJPM-INIZCTEOSA-N 1 2 370.518 3.718 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000434783857 942962857 /nfs/dbraw/zinc/96/28/57/942962857.db2.gz BLARFPNJEGJJPM-INIZCTEOSA-N 1 2 370.518 3.718 20 30 FHEDLO CC1(C#N)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000272662577 943195895 /nfs/dbraw/zinc/19/58/95/943195895.db2.gz HWURSHWNWHTDCL-UHFFFAOYSA-N 1 2 361.449 3.759 20 30 FHEDLO C=CCOc1ccccc1C[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000505614528 943204697 /nfs/dbraw/zinc/20/46/97/943204697.db2.gz UPHYGFKKCWBCFU-UHFFFAOYSA-N 1 2 354.450 3.721 20 30 FHEDLO C=CCOc1ccccc1C[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000505614528 943204702 /nfs/dbraw/zinc/20/47/02/943204702.db2.gz UPHYGFKKCWBCFU-UHFFFAOYSA-N 1 2 354.450 3.721 20 30 FHEDLO C=CC[N@@H+](CC(=O)N1CCCc2cc(OC)ccc21)Cc1cccs1 ZINC000514744929 943275049 /nfs/dbraw/zinc/27/50/49/943275049.db2.gz JFYXMRSUCIOWNV-UHFFFAOYSA-N 1 2 356.491 3.724 20 30 FHEDLO C=CC[N@H+](CC(=O)N1CCCc2cc(OC)ccc21)Cc1cccs1 ZINC000514744929 943275053 /nfs/dbraw/zinc/27/50/53/943275053.db2.gz JFYXMRSUCIOWNV-UHFFFAOYSA-N 1 2 356.491 3.724 20 30 FHEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000511600907 943329037 /nfs/dbraw/zinc/32/90/37/943329037.db2.gz XDTMFLCAJIGVDD-GOSISDBHSA-N 1 2 353.510 3.809 20 30 FHEDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(C#N)CC2)cc1OC ZINC000515050389 943475308 /nfs/dbraw/zinc/47/53/08/943475308.db2.gz GVFZAYNELBWRCO-AWEZNQCLSA-N 1 2 361.442 3.764 20 30 FHEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424765360 944105982 /nfs/dbraw/zinc/10/59/82/944105982.db2.gz SBBDUHOQLSXBTI-DOTOQJQBSA-N 1 2 354.416 3.958 20 30 FHEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424765360 944105989 /nfs/dbraw/zinc/10/59/89/944105989.db2.gz SBBDUHOQLSXBTI-DOTOQJQBSA-N 1 2 354.416 3.958 20 30 FHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC=C(C)C2)c1C#N ZINC000436259238 944151426 /nfs/dbraw/zinc/15/14/26/944151426.db2.gz KHFDWYXIPLEGGG-UHFFFAOYSA-N 1 2 366.440 3.695 20 30 FHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC=C(C)C2)c1C#N ZINC000436259238 944151430 /nfs/dbraw/zinc/15/14/30/944151430.db2.gz KHFDWYXIPLEGGG-UHFFFAOYSA-N 1 2 366.440 3.695 20 30 FHEDLO C=C(Cl)C[NH2+]Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000893350865 944452369 /nfs/dbraw/zinc/45/23/69/944452369.db2.gz NNKKYEWAOYSGFI-UHFFFAOYSA-N 1 2 354.878 3.680 20 30 FHEDLO N#Cc1ccc(N2CC[NH+](Cc3scnc3C3CC3)CC2)c(Cl)c1 ZINC000425978679 944493958 /nfs/dbraw/zinc/49/39/58/944493958.db2.gz QGYNWQPGCPKOOV-UHFFFAOYSA-N 1 2 358.898 3.868 20 30 FHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(-c2ccccc2F)n1 ZINC000518607554 944543811 /nfs/dbraw/zinc/54/38/11/944543811.db2.gz FLRFSQIECJEPBJ-UHFFFAOYSA-N 1 2 364.424 3.532 20 30 FHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(-c2ccccc2F)n1 ZINC000518607554 944543816 /nfs/dbraw/zinc/54/38/16/944543816.db2.gz FLRFSQIECJEPBJ-UHFFFAOYSA-N 1 2 364.424 3.532 20 30 FHEDLO COc1cc(CCC2CC[NH+](Cc3nc(C#N)cs3)CC2)cc(OC)c1 ZINC000516171502 944555600 /nfs/dbraw/zinc/55/56/00/944555600.db2.gz KMCOLGDNAKRLKM-UHFFFAOYSA-N 1 2 371.506 3.877 20 30 FHEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000122221375 944584924 /nfs/dbraw/zinc/58/49/24/944584924.db2.gz PCISWHNTOYVHGY-HNNXBMFYSA-N 1 2 362.543 3.692 20 30 FHEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000122221375 944584932 /nfs/dbraw/zinc/58/49/32/944584932.db2.gz PCISWHNTOYVHGY-HNNXBMFYSA-N 1 2 362.543 3.692 20 30 FHEDLO CSCC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnc2ccccn21 ZINC000439454145 944639404 /nfs/dbraw/zinc/63/94/04/944639404.db2.gz QRDGEPPQFROESA-INIZCTEOSA-N 1 2 371.897 3.838 20 30 FHEDLO N#Cc1ccccc1N1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000506343707 945003734 /nfs/dbraw/zinc/00/37/34/945003734.db2.gz XBZHBWHDKWGTBT-UHFFFAOYSA-N 1 2 364.468 3.620 20 30 FHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507178653 945010166 /nfs/dbraw/zinc/01/01/66/945010166.db2.gz IKXBAQUFNIJYNG-UHFFFAOYSA-N 1 2 357.454 3.652 20 30 FHEDLO Cc1oc(NC(=O)C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000507182107 945012413 /nfs/dbraw/zinc/01/24/13/945012413.db2.gz LYAQWOMFTWFZRJ-UHFFFAOYSA-N 1 2 369.440 3.800 20 30 FHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000330250678 945425169 /nfs/dbraw/zinc/42/51/69/945425169.db2.gz HHQOOHJDTLXBCG-APWZRJJASA-N 1 2 350.466 3.654 20 30 FHEDLO CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330352013 945656833 /nfs/dbraw/zinc/65/68/33/945656833.db2.gz MYRSLQGYDOQNAQ-QAPCUYQASA-N 1 2 371.441 3.583 20 30 FHEDLO C=CC[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H](C)COC ZINC000661246142 945901072 /nfs/dbraw/zinc/90/10/72/945901072.db2.gz ICRVLXJAFHNLCD-GFCCVEGCSA-N 1 2 355.360 3.778 20 30 FHEDLO C=CC[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H](C)COC ZINC000661246142 945901086 /nfs/dbraw/zinc/90/10/86/945901086.db2.gz ICRVLXJAFHNLCD-GFCCVEGCSA-N 1 2 355.360 3.778 20 30 FHEDLO CC[C@H](C#N)Oc1cccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301859224 946007126 /nfs/dbraw/zinc/00/71/26/946007126.db2.gz DAWBFJFAZIDFQE-OAHLLOKOSA-N 1 2 364.453 3.874 20 30 FHEDLO C=CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000661381356 946049334 /nfs/dbraw/zinc/04/93/34/946049334.db2.gz JIHYZRBFWQJWKK-HNNXBMFYSA-N 1 2 360.479 3.533 20 30 FHEDLO C=CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000661381356 946049340 /nfs/dbraw/zinc/04/93/40/946049340.db2.gz JIHYZRBFWQJWKK-HNNXBMFYSA-N 1 2 360.479 3.533 20 30 FHEDLO C=CCOc1ccccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000030582956 946625527 /nfs/dbraw/zinc/62/55/27/946625527.db2.gz OREKKWNUVQJGEW-UHFFFAOYSA-N 1 2 357.479 3.946 20 30 FHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428360845 946697748 /nfs/dbraw/zinc/69/77/48/946697748.db2.gz LJJDBVKAQAHJKW-SNVBAGLBSA-N 1 2 354.351 3.924 20 30 FHEDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128504364 946800521 /nfs/dbraw/zinc/80/05/21/946800521.db2.gz RZMOSUYCXRSGLR-CQSZACIVSA-N 1 2 362.882 3.678 20 30 FHEDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128504364 946800536 /nfs/dbraw/zinc/80/05/36/946800536.db2.gz RZMOSUYCXRSGLR-CQSZACIVSA-N 1 2 362.882 3.678 20 30 FHEDLO Cc1nc2c(cccc2C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000328687290 946988389 /nfs/dbraw/zinc/98/83/89/946988389.db2.gz GXPRLAUVMLYJMJ-IEBWSBKVSA-N 1 2 370.403 3.900 20 30 FHEDLO Cc1nc2c(cccc2C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000328687290 946988395 /nfs/dbraw/zinc/98/83/95/946988395.db2.gz GXPRLAUVMLYJMJ-IEBWSBKVSA-N 1 2 370.403 3.900 20 30 FHEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328700394 946994394 /nfs/dbraw/zinc/99/43/94/946994394.db2.gz MRPZQMDCNSPDOA-GXTWGEPZSA-N 1 2 350.825 3.989 20 30 FHEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328700394 946994399 /nfs/dbraw/zinc/99/43/99/946994399.db2.gz MRPZQMDCNSPDOA-GXTWGEPZSA-N 1 2 350.825 3.989 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000328875296 947078580 /nfs/dbraw/zinc/07/85/80/947078580.db2.gz RYNNHGOLHNEERE-AEFFLSMTSA-N 1 2 352.482 3.837 20 30 FHEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1cccc(C(C)C)c1 ZINC000328984696 947134297 /nfs/dbraw/zinc/13/42/97/947134297.db2.gz SXXJBIGOSJWUJV-XUVXKRRUSA-N 1 2 360.498 3.914 20 30 FHEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1cccc(C(C)C)c1 ZINC000328984696 947134302 /nfs/dbraw/zinc/13/43/02/947134302.db2.gz SXXJBIGOSJWUJV-XUVXKRRUSA-N 1 2 360.498 3.914 20 30 FHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)c1C ZINC000444707920 947135357 /nfs/dbraw/zinc/13/53/57/947135357.db2.gz QNPGYGPBDJVSCU-UHFFFAOYSA-N 1 2 371.431 3.960 20 30 FHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)c1C ZINC000444707920 947135361 /nfs/dbraw/zinc/13/53/61/947135361.db2.gz QNPGYGPBDJVSCU-UHFFFAOYSA-N 1 2 371.431 3.960 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000662077343 947212200 /nfs/dbraw/zinc/21/22/00/947212200.db2.gz BOSFVEVPYWRECA-OKILXGFUSA-N 1 2 362.857 3.623 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000662077343 947212207 /nfs/dbraw/zinc/21/22/07/947212207.db2.gz BOSFVEVPYWRECA-OKILXGFUSA-N 1 2 362.857 3.623 20 30 FHEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC[C@H]1C(F)(F)F ZINC000248690857 947287964 /nfs/dbraw/zinc/28/79/64/947287964.db2.gz ADCOTYTXWXFWMX-QWHCGFSZSA-N 1 2 371.428 3.635 20 30 FHEDLO CC1(C)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC[C@H]1C(F)(F)F ZINC000248690857 947287976 /nfs/dbraw/zinc/28/79/76/947287976.db2.gz ADCOTYTXWXFWMX-QWHCGFSZSA-N 1 2 371.428 3.635 20 30 FHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184412455 947306847 /nfs/dbraw/zinc/30/68/47/947306847.db2.gz SLLXFORDBHUYPX-STQMWFEESA-N 1 2 360.508 3.684 20 30 FHEDLO Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)C(F)(F)F ZINC000331325104 947386217 /nfs/dbraw/zinc/38/62/17/947386217.db2.gz MJZPDMNJYPTJFS-OAHLLOKOSA-N 1 2 369.391 3.796 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc(C#N)cs2)c(C)c1 ZINC000441500945 948104859 /nfs/dbraw/zinc/10/48/59/948104859.db2.gz PPYLPRBQKNWVAJ-QGZVFWFLSA-N 1 2 350.447 3.604 20 30 FHEDLO C[C@@H](CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000441602500 948345911 /nfs/dbraw/zinc/34/59/11/948345911.db2.gz IYGNAZFDIARSLH-IBGZPJMESA-N 1 2 361.489 3.786 20 30 FHEDLO N#CCCC[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000602162564 567945800 /nfs/dbraw/zinc/94/58/00/567945800.db2.gz YJJSSTPDOXMQKQ-HZPDHXFCSA-N 1 2 364.371 3.928 20 30 FHEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000602868954 568008753 /nfs/dbraw/zinc/00/87/53/568008753.db2.gz LCTGOVWKWSFFNH-HUUCEWRRSA-N 1 2 354.479 3.593 20 30 FHEDLO CSC1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000602923672 568017912 /nfs/dbraw/zinc/01/79/12/568017912.db2.gz UQFZJTBMEOVNPR-AWEZNQCLSA-N 1 2 363.552 3.847 20 30 FHEDLO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602973680 568035000 /nfs/dbraw/zinc/03/50/00/568035000.db2.gz DAUCRNSEYDGADD-MBOZVWFJSA-N 1 2 353.491 3.578 20 30 FHEDLO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602973680 568035001 /nfs/dbraw/zinc/03/50/01/568035001.db2.gz DAUCRNSEYDGADD-MBOZVWFJSA-N 1 2 353.491 3.578 20 30 FHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1Cl)OCCO2 ZINC000568438598 568038214 /nfs/dbraw/zinc/03/82/14/568038214.db2.gz ZSCHCGDFCLCJSG-UHFFFAOYSA-N 1 2 372.852 3.631 20 30 FHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1Cl)OCCO2 ZINC000568438598 568038215 /nfs/dbraw/zinc/03/82/15/568038215.db2.gz ZSCHCGDFCLCJSG-UHFFFAOYSA-N 1 2 372.852 3.631 20 30 FHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000065959815 568063825 /nfs/dbraw/zinc/06/38/25/568063825.db2.gz SRVSDKFXZFUSDK-UHFFFAOYSA-N 1 2 374.492 3.737 20 30 FHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000065959815 568063826 /nfs/dbraw/zinc/06/38/26/568063826.db2.gz SRVSDKFXZFUSDK-UHFFFAOYSA-N 1 2 374.492 3.737 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(F)cc1F ZINC000603441965 568101626 /nfs/dbraw/zinc/10/16/26/568101626.db2.gz GAGRZRVZQFKAJL-OAHLLOKOSA-N 1 2 357.404 3.732 20 30 FHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000603441965 568101627 /nfs/dbraw/zinc/10/16/27/568101627.db2.gz GAGRZRVZQFKAJL-OAHLLOKOSA-N 1 2 357.404 3.732 20 30 FHEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)ccc1F ZINC000011221026 568237986 /nfs/dbraw/zinc/23/79/86/568237986.db2.gz ASZKIDYXVOPTEL-UHFFFAOYSA-N 1 2 355.413 3.557 20 30 FHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)ccc1F ZINC000011221026 568237987 /nfs/dbraw/zinc/23/79/87/568237987.db2.gz ASZKIDYXVOPTEL-UHFFFAOYSA-N 1 2 355.413 3.557 20 30 FHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000303680835 568272110 /nfs/dbraw/zinc/27/21/10/568272110.db2.gz RTXFQCXJBBGYNN-QGZVFWFLSA-N 1 2 350.915 3.631 20 30 FHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000303680835 568272111 /nfs/dbraw/zinc/27/21/11/568272111.db2.gz RTXFQCXJBBGYNN-QGZVFWFLSA-N 1 2 350.915 3.631 20 30 FHEDLO C=CC[C@@H](C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000604913853 568388535 /nfs/dbraw/zinc/38/85/35/568388535.db2.gz AZMXADWPDYPIHU-CJNGLKHVSA-N 1 2 353.869 3.880 20 30 FHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c1C#N ZINC000535962404 937241355 /nfs/dbraw/zinc/24/13/55/937241355.db2.gz DAPRXXRFSNFYMZ-HNNXBMFYSA-N 1 2 368.458 3.644 20 30 FHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c1C#N ZINC000535962404 937241358 /nfs/dbraw/zinc/24/13/58/937241358.db2.gz DAPRXXRFSNFYMZ-HNNXBMFYSA-N 1 2 368.458 3.644 20 30 FHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117590615 928398918 /nfs/dbraw/zinc/39/89/18/928398918.db2.gz IGJISBOTJNDISU-UHFFFAOYSA-N 1 2 364.408 3.919 20 30 FHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000535976372 937286234 /nfs/dbraw/zinc/28/62/34/937286234.db2.gz LARQXMCYRHWHLA-FQEVSTJZSA-N 1 2 370.456 3.841 20 30 FHEDLO OCc1ccc(F)c(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000625100709 928932396 /nfs/dbraw/zinc/93/23/96/928932396.db2.gz SPOIDWBNKQLDFZ-VXGBXAGGSA-N 1 2 359.285 3.881 20 30 FHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(N4CCOCC4)c(F)c3)n2c1 ZINC000255044913 929560452 /nfs/dbraw/zinc/56/04/52/929560452.db2.gz MUWXOAAZBVEROQ-XQRVVYSFSA-N 1 2 365.408 3.515 20 30 FHEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC001125422542 930268466 /nfs/dbraw/zinc/26/84/66/930268466.db2.gz PPMAHRNRKNEANB-SFHVURJKSA-N 1 2 357.841 3.852 20 30 FHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCOCC23CC3)sc2c1CCCCC2 ZINC000328717959 930570881 /nfs/dbraw/zinc/57/08/81/930570881.db2.gz UVGZHSCRFUSVBP-UHFFFAOYSA-N 1 2 359.495 3.732 20 30 FHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCOCC23CC3)sc2c1CCCCC2 ZINC000328717959 930570892 /nfs/dbraw/zinc/57/08/92/930570892.db2.gz UVGZHSCRFUSVBP-UHFFFAOYSA-N 1 2 359.495 3.732 20 30 FHEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccc(C)c(C)c3)s2)C1=O ZINC000656259154 930905640 /nfs/dbraw/zinc/90/56/40/930905640.db2.gz YGOWMDBCODTXQC-SFHVURJKSA-N 1 2 355.507 3.646 20 30 FHEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccc(C)c(C)c3)s2)C1=O ZINC000656259154 930905644 /nfs/dbraw/zinc/90/56/44/930905644.db2.gz YGOWMDBCODTXQC-SFHVURJKSA-N 1 2 355.507 3.646 20 30 FHEDLO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000121265815 931452375 /nfs/dbraw/zinc/45/23/75/931452375.db2.gz GIGOZGGTNONQPV-YOEHRIQHSA-N 1 2 368.506 3.984 20 30 FHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000156786289 931481656 /nfs/dbraw/zinc/48/16/56/931481656.db2.gz CQRUQAVJFQCXOH-UHFFFAOYSA-N 1 2 372.490 3.760 20 30 FHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000156786289 931481658 /nfs/dbraw/zinc/48/16/58/931481658.db2.gz CQRUQAVJFQCXOH-UHFFFAOYSA-N 1 2 372.490 3.760 20 30 FHEDLO C[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000135121026 931943220 /nfs/dbraw/zinc/94/32/20/931943220.db2.gz GNUTUPPKUXEZQY-UHFFFAOYSA-N 1 2 358.323 3.658 20 30 FHEDLO C[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000135121026 931943225 /nfs/dbraw/zinc/94/32/25/931943225.db2.gz GNUTUPPKUXEZQY-UHFFFAOYSA-N 1 2 358.323 3.658 20 30 FHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610504940 932022101 /nfs/dbraw/zinc/02/21/01/932022101.db2.gz MAHQQLQDQMYGOC-SPUIBGILSA-N 1 2 357.473 3.892 20 30 FHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610504940 932022110 /nfs/dbraw/zinc/02/21/10/932022110.db2.gz MAHQQLQDQMYGOC-SPUIBGILSA-N 1 2 357.473 3.892 20 30 FHEDLO C=CC[N@@H+](Cc1cccc(-c2ccccc2C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361362 934023059 /nfs/dbraw/zinc/02/30/59/934023059.db2.gz OLAIHMPYUOFWLO-FQEVSTJZSA-N 1 2 355.503 3.837 20 30 FHEDLO C=CC[N@H+](Cc1cccc(-c2ccccc2C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361362 934023063 /nfs/dbraw/zinc/02/30/63/934023063.db2.gz OLAIHMPYUOFWLO-FQEVSTJZSA-N 1 2 355.503 3.837 20 30 FHEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000510949481 934213613 /nfs/dbraw/zinc/21/36/13/934213613.db2.gz RIYZCEWUPGEGJF-NWDGAFQWSA-N 1 2 372.271 3.887 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535839418 934576450 /nfs/dbraw/zinc/57/64/50/934576450.db2.gz ZJMDWMJZVFNMOD-ROUUACIJSA-N 1 2 372.831 3.918 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535839418 934576453 /nfs/dbraw/zinc/57/64/53/934576453.db2.gz ZJMDWMJZVFNMOD-ROUUACIJSA-N 1 2 372.831 3.918 20 30 FHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176269451 934711637 /nfs/dbraw/zinc/71/16/37/934711637.db2.gz SIEZEZJVTRXQQJ-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176269451 934711639 /nfs/dbraw/zinc/71/16/39/934711639.db2.gz SIEZEZJVTRXQQJ-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780498671 934893169 /nfs/dbraw/zinc/89/31/69/934893169.db2.gz PUGTVARQIHFXGF-KRWDZBQOSA-N 1 2 357.527 3.988 20 30 FHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780498671 934893173 /nfs/dbraw/zinc/89/31/73/934893173.db2.gz PUGTVARQIHFXGF-KRWDZBQOSA-N 1 2 357.527 3.988 20 30 FHEDLO C=CC[N@@H+](Cc1cccc(-c2ccc(C)cc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000511107674 935593036 /nfs/dbraw/zinc/59/30/36/935593036.db2.gz OVBSGCNVWSKFSJ-NRFANRHFSA-N 1 2 355.503 3.837 20 30 FHEDLO C=CC[N@H+](Cc1cccc(-c2ccc(C)cc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000511107674 935593041 /nfs/dbraw/zinc/59/30/41/935593041.db2.gz OVBSGCNVWSKFSJ-NRFANRHFSA-N 1 2 355.503 3.837 20 30 FHEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000582580758 935849865 /nfs/dbraw/zinc/84/98/65/935849865.db2.gz SVJWQYAUUJQGJM-DOMZBBRYSA-N 1 2 365.264 3.522 20 30 FHEDLO COc1ccc(CN2CCc3c2nc[nH+]c3NCc2ccccc2C#N)cc1 ZINC001167633297 936253360 /nfs/dbraw/zinc/25/33/60/936253360.db2.gz KAHNSTMTTBITSD-UHFFFAOYSA-N 1 2 371.444 3.532 20 30 FHEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000052580241 938407255 /nfs/dbraw/zinc/40/72/55/938407255.db2.gz PEPXQQZVOXMDOK-CYBMUJFWSA-N 1 2 350.447 3.627 20 30 FHEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000052580241 938407257 /nfs/dbraw/zinc/40/72/57/938407257.db2.gz PEPXQQZVOXMDOK-CYBMUJFWSA-N 1 2 350.447 3.627 20 30 FHEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC(OC2CCCC2)CC1 ZINC000329439748 938412269 /nfs/dbraw/zinc/41/22/69/938412269.db2.gz JUTSHPCVUPMABO-UHFFFAOYSA-N 1 2 368.481 3.710 20 30 FHEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](C)O2 ZINC000584323498 938686697 /nfs/dbraw/zinc/68/66/97/938686697.db2.gz RSVZRNPTVYNXPT-GLJUWKHASA-N 1 2 368.399 3.735 20 30 FHEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](C)O2 ZINC000584323498 938686698 /nfs/dbraw/zinc/68/66/98/938686698.db2.gz RSVZRNPTVYNXPT-GLJUWKHASA-N 1 2 368.399 3.735 20 30 FHEDLO COCC[N@H+](Cc1conc1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000507407481 945213229 /nfs/dbraw/zinc/21/32/29/945213229.db2.gz XBSDXMLEESSMLT-UHFFFAOYSA-N 1 2 361.445 3.786 20 30 FHEDLO COCC[N@@H+](Cc1conc1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000507407481 945213238 /nfs/dbraw/zinc/21/32/38/945213238.db2.gz XBSDXMLEESSMLT-UHFFFAOYSA-N 1 2 361.445 3.786 20 30 FHEDLO C=C(C)COCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000134505526 938936794 /nfs/dbraw/zinc/93/67/94/938936794.db2.gz KGOBHVZIGHMWNC-UHFFFAOYSA-N 1 2 359.495 3.818 20 30 FHEDLO N#CCCC[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000458803835 938964120 /nfs/dbraw/zinc/96/41/20/938964120.db2.gz RPHKOCJAEHWETR-GOSISDBHSA-N 1 2 351.454 3.734 20 30 FHEDLO N#CCCC[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000458803835 938964121 /nfs/dbraw/zinc/96/41/21/938964121.db2.gz RPHKOCJAEHWETR-GOSISDBHSA-N 1 2 351.454 3.734 20 30 FHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc2c(cc1OC)OCO2 ZINC000685443123 938986939 /nfs/dbraw/zinc/98/69/39/938986939.db2.gz FSKYFVRGDCWXLC-UHFFFAOYSA-N 1 2 357.454 3.780 20 30 FHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc2c(cc1OC)OCO2 ZINC000685443123 938986940 /nfs/dbraw/zinc/98/69/40/938986940.db2.gz FSKYFVRGDCWXLC-UHFFFAOYSA-N 1 2 357.454 3.780 20 30 FHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255613994 939004784 /nfs/dbraw/zinc/00/47/84/939004784.db2.gz NBENGJMMTHVABJ-IBSYWUHOSA-N 1 2 363.436 3.616 20 30 FHEDLO CCOC(=O)CCOc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255730268 939150322 /nfs/dbraw/zinc/15/03/22/939150322.db2.gz KAFBDNRKLWBTNC-FLIBITNWSA-N 1 2 364.401 3.562 20 30 FHEDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(C#N)cs1 ZINC000179610792 939894179 /nfs/dbraw/zinc/89/41/79/939894179.db2.gz RYXMMPFYECOPML-UHFFFAOYSA-N 1 2 367.396 3.888 20 30 FHEDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(C#N)cs1 ZINC000179610792 939894183 /nfs/dbraw/zinc/89/41/83/939894183.db2.gz RYXMMPFYECOPML-UHFFFAOYSA-N 1 2 367.396 3.888 20 30 FHEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000426586925 945280044 /nfs/dbraw/zinc/28/00/44/945280044.db2.gz OBDHGVKTKRNUBV-JOCHJYFZSA-N 1 2 359.473 3.562 20 30 FHEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c(C#N)c1C ZINC000364102701 939908163 /nfs/dbraw/zinc/90/81/63/939908163.db2.gz PASKFKPSNNZUBZ-PXAZEXFGSA-N 1 2 354.479 3.653 20 30 FHEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c(C#N)c1C ZINC000364102701 939908166 /nfs/dbraw/zinc/90/81/66/939908166.db2.gz PASKFKPSNNZUBZ-PXAZEXFGSA-N 1 2 354.479 3.653 20 30 FHEDLO C=CCC[C@@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccco1 ZINC000375837803 939955464 /nfs/dbraw/zinc/95/54/64/939955464.db2.gz HPCFCXBBRVUICI-CHWSQXEVSA-N 1 2 354.376 3.793 20 30 FHEDLO CC(C)Oc1ccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000365232092 940090088 /nfs/dbraw/zinc/09/00/88/940090088.db2.gz PBFMIHDHFXJQBI-UHFFFAOYSA-N 1 2 367.453 3.542 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccs3)CC2)c(C(F)(F)F)c1 ZINC000581855998 940627660 /nfs/dbraw/zinc/62/76/60/940627660.db2.gz WXXBVOHTLQVGIA-UHFFFAOYSA-N 1 2 351.397 3.961 20 30 FHEDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000173665369 940657574 /nfs/dbraw/zinc/65/75/74/940657574.db2.gz CKSMSDJZHKXHAU-AWEZNQCLSA-N 1 2 372.494 3.573 20 30 FHEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000173665369 940657575 /nfs/dbraw/zinc/65/75/75/940657575.db2.gz CKSMSDJZHKXHAU-AWEZNQCLSA-N 1 2 372.494 3.573 20 30 FHEDLO CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000173665381 940657633 /nfs/dbraw/zinc/65/76/33/940657633.db2.gz CKSMSDJZHKXHAU-CQSZACIVSA-N 1 2 372.494 3.573 20 30 FHEDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000173665381 940657635 /nfs/dbraw/zinc/65/76/35/940657635.db2.gz CKSMSDJZHKXHAU-CQSZACIVSA-N 1 2 372.494 3.573 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000330083849 945348987 /nfs/dbraw/zinc/34/89/87/945348987.db2.gz BPGBHHYGXAILNB-CLCXKQKWSA-N 1 2 366.889 3.627 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000330083849 945348997 /nfs/dbraw/zinc/34/89/97/945348997.db2.gz BPGBHHYGXAILNB-CLCXKQKWSA-N 1 2 366.889 3.627 20 30 FHEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc(Cl)cc1 ZINC000330123105 945365912 /nfs/dbraw/zinc/36/59/12/945365912.db2.gz KPSQUENGFWMNDB-SPYBWZPUSA-N 1 2 366.889 3.627 20 30 FHEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc(Cl)cc1 ZINC000330123105 945365926 /nfs/dbraw/zinc/36/59/26/945365926.db2.gz KPSQUENGFWMNDB-SPYBWZPUSA-N 1 2 366.889 3.627 20 30 FHEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330126428 945366537 /nfs/dbraw/zinc/36/65/37/945366537.db2.gz MJAHYNPQAFJQSY-GLJUWKHASA-N 1 2 352.862 3.586 20 30 FHEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330126428 945366546 /nfs/dbraw/zinc/36/65/46/945366546.db2.gz MJAHYNPQAFJQSY-GLJUWKHASA-N 1 2 352.862 3.586 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CCC(C#N)CC1 ZINC000057877220 941053641 /nfs/dbraw/zinc/05/36/41/941053641.db2.gz GUCZISVCZMEAHR-HNNXBMFYSA-N 1 2 369.465 3.681 20 30 FHEDLO Cc1cccc(C(=O)N2CCC[N@H+](CC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000177016551 941094142 /nfs/dbraw/zinc/09/41/42/941094142.db2.gz XFARUPRGCBBGRK-UHFFFAOYSA-N 1 2 366.892 3.848 20 30 FHEDLO Cc1cccc(C(=O)N2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000177016551 941094143 /nfs/dbraw/zinc/09/41/43/941094143.db2.gz XFARUPRGCBBGRK-UHFFFAOYSA-N 1 2 366.892 3.848 20 30 FHEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181186619 941112420 /nfs/dbraw/zinc/11/24/20/941112420.db2.gz IYJGWWRVLXBBPT-MRXNPFEDSA-N 1 2 359.271 3.564 20 30 FHEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181186619 941112421 /nfs/dbraw/zinc/11/24/21/941112421.db2.gz IYJGWWRVLXBBPT-MRXNPFEDSA-N 1 2 359.271 3.564 20 30 FHEDLO NC(=[NH+]OCc1cc(-c2ccccc2)on1)c1ccc(Br)cc1 ZINC000782948634 941322335 /nfs/dbraw/zinc/32/23/35/941322335.db2.gz NDVHPIDEAFNEIY-UHFFFAOYSA-N 1 2 372.222 3.941 20 30 FHEDLO N#Cc1c(F)ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1Cl ZINC000376985238 941483693 /nfs/dbraw/zinc/48/36/93/941483693.db2.gz LBPLRCORVZJFRL-UHFFFAOYSA-N 1 2 371.843 3.745 20 30 FHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC(C)(C)CCC#N)c2C1 ZINC000377436676 941722179 /nfs/dbraw/zinc/72/21/79/941722179.db2.gz QWFJSRKVQWOYNA-UHFFFAOYSA-N 1 2 364.493 3.673 20 30 FHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC(C)(C)CCC#N)c2C1 ZINC000377436676 941722180 /nfs/dbraw/zinc/72/21/80/941722180.db2.gz QWFJSRKVQWOYNA-UHFFFAOYSA-N 1 2 364.493 3.673 20 30 FHEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000182336181 941736789 /nfs/dbraw/zinc/73/67/89/941736789.db2.gz HRBPTGIAPQWWGT-UHFFFAOYSA-N 1 2 360.417 3.709 20 30 FHEDLO C=CCOCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000549307577 941910909 /nfs/dbraw/zinc/91/09/09/941910909.db2.gz XXFCTZVXIKOURH-UHFFFAOYSA-N 1 2 358.511 3.548 20 30 FHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000377760176 941966549 /nfs/dbraw/zinc/96/65/49/941966549.db2.gz ITNHTKWIKUCHMQ-UHFFFAOYSA-N 1 2 359.389 3.595 20 30 FHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCn4c[nH+]cc4C3)cc2)cc1 ZINC000377775065 941976557 /nfs/dbraw/zinc/97/65/57/941976557.db2.gz ZRTFBLMBZOGTFX-UHFFFAOYSA-N 1 2 359.389 3.595 20 30 FHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC000513728399 942171884 /nfs/dbraw/zinc/17/18/84/942171884.db2.gz HRLAEPHNIBFILY-UHFFFAOYSA-N 1 2 353.260 3.940 20 30 FHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC000513728399 942171888 /nfs/dbraw/zinc/17/18/88/942171888.db2.gz HRLAEPHNIBFILY-UHFFFAOYSA-N 1 2 353.260 3.940 20 30 FHEDLO Cc1cc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000420848640 942228776 /nfs/dbraw/zinc/22/87/76/942228776.db2.gz MKSVLCFNWVWRKX-UHFFFAOYSA-N 1 2 361.367 3.568 20 30 FHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420943031 942279633 /nfs/dbraw/zinc/27/96/33/942279633.db2.gz HUGYAFSZPIVCAD-ZDUSSCGKSA-N 1 2 371.428 3.905 20 30 FHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420943031 942279638 /nfs/dbraw/zinc/27/96/38/942279638.db2.gz HUGYAFSZPIVCAD-ZDUSSCGKSA-N 1 2 371.428 3.905 20 30 FHEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000502309347 942359216 /nfs/dbraw/zinc/35/92/16/942359216.db2.gz AELFYJSJLSTWKU-FQEVSTJZSA-N 1 2 355.482 3.837 20 30 FHEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000502309347 942359222 /nfs/dbraw/zinc/35/92/22/942359222.db2.gz AELFYJSJLSTWKU-FQEVSTJZSA-N 1 2 355.482 3.837 20 30 FHEDLO C[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000505333879 942489453 /nfs/dbraw/zinc/48/94/53/942489453.db2.gz SVYFABIDYFJBQC-ZXYDQQDNSA-N 1 2 374.488 3.660 20 30 FHEDLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502524893 942498841 /nfs/dbraw/zinc/49/88/41/942498841.db2.gz WPUBPCKCPDYVAZ-UHFFFAOYSA-N 1 2 361.445 3.603 20 30 FHEDLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502524893 942498846 /nfs/dbraw/zinc/49/88/46/942498846.db2.gz WPUBPCKCPDYVAZ-UHFFFAOYSA-N 1 2 361.445 3.603 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000513825547 942541886 /nfs/dbraw/zinc/54/18/86/942541886.db2.gz FDVUUGHPPHVHQB-IRXDYDNUSA-N 1 2 371.481 3.613 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000513825547 942541890 /nfs/dbraw/zinc/54/18/90/942541890.db2.gz FDVUUGHPPHVHQB-IRXDYDNUSA-N 1 2 371.481 3.613 20 30 FHEDLO CC(C)[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2ccccc2)no1 ZINC000367040833 942742070 /nfs/dbraw/zinc/74/20/70/942742070.db2.gz NVGKDTDIWODYIE-LJQANCHMSA-N 1 2 372.432 3.743 20 30 FHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425106035 942798961 /nfs/dbraw/zinc/79/89/61/942798961.db2.gz GBFRCNCFWBKUCP-GFCCVEGCSA-N 1 2 368.387 3.714 20 30 FHEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367072503 942808077 /nfs/dbraw/zinc/80/80/77/942808077.db2.gz NPSNYGUAEKYNQM-KRWDZBQOSA-N 1 2 363.465 3.811 20 30 FHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000075297090 943147243 /nfs/dbraw/zinc/14/72/43/943147243.db2.gz RDHJCTRJNKLOGF-NHCUHLMSSA-N 1 2 356.429 3.784 20 30 FHEDLO COc1cc(Br)c(C[NH+]2CCC(C)(C#N)CC2)c(OC)c1 ZINC000272483339 943162744 /nfs/dbraw/zinc/16/27/44/943162744.db2.gz CPFAOYLMTFLCAF-UHFFFAOYSA-N 1 2 353.260 3.592 20 30 FHEDLO CC1(C#N)CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000272499974 943166426 /nfs/dbraw/zinc/16/64/26/943166426.db2.gz GSEYUBFZHSAFLN-UHFFFAOYSA-N 1 2 359.271 3.965 20 30 FHEDLO Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(C)(C#N)CC3)c2)cs1 ZINC000272633198 943190288 /nfs/dbraw/zinc/19/02/88/943190288.db2.gz WNJKXXPQEOLVQC-UHFFFAOYSA-N 1 2 354.479 3.683 20 30 FHEDLO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000503750460 943367778 /nfs/dbraw/zinc/36/77/78/943367778.db2.gz SFCYNDBBZSIYKI-LEWJYISDSA-N 1 2 368.525 3.600 20 30 FHEDLO C[C@@H]1CSCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000190417650 943415019 /nfs/dbraw/zinc/41/50/19/943415019.db2.gz BGFGTYVNMNGZPA-ZDUSSCGKSA-N 1 2 363.552 3.512 20 30 FHEDLO C[C@@H]1CSCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000190417650 943415024 /nfs/dbraw/zinc/41/50/24/943415024.db2.gz BGFGTYVNMNGZPA-ZDUSSCGKSA-N 1 2 363.552 3.512 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000515491240 943936667 /nfs/dbraw/zinc/93/66/67/943936667.db2.gz ZLNWUJUZZSDYQJ-FSPWUOQZSA-N 1 2 373.884 3.572 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000515491240 943936672 /nfs/dbraw/zinc/93/66/72/943936672.db2.gz ZLNWUJUZZSDYQJ-FSPWUOQZSA-N 1 2 373.884 3.572 20 30 FHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)cc1 ZINC000505187593 944117558 /nfs/dbraw/zinc/11/75/58/944117558.db2.gz QFPBRRHGIBYTNB-UHFFFAOYSA-N 1 2 365.452 3.779 20 30 FHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC=C(C)C2)c1C#N ZINC000436259355 944151709 /nfs/dbraw/zinc/15/17/09/944151709.db2.gz JTEXFTPGILTMEA-UHFFFAOYSA-N 1 2 362.477 3.615 20 30 FHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC=C(C)C2)c1C#N ZINC000436259355 944151713 /nfs/dbraw/zinc/15/17/13/944151713.db2.gz JTEXFTPGILTMEA-UHFFFAOYSA-N 1 2 362.477 3.615 20 30 FHEDLO C#CCOc1ccc(C[NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)cc1 ZINC000364312492 944297141 /nfs/dbraw/zinc/29/71/41/944297141.db2.gz YYUQRQCGGJWEDS-OAHLLOKOSA-N 1 2 363.417 3.608 20 30 FHEDLO N#Cc1ccccc1Cn1cccc1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000438088775 944329681 /nfs/dbraw/zinc/32/96/81/944329681.db2.gz RGWWMWRIEAOSFN-UHFFFAOYSA-N 1 2 371.488 3.827 20 30 FHEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000517540698 944371397 /nfs/dbraw/zinc/37/13/97/944371397.db2.gz HPGUXPALZOOVFW-NRFANRHFSA-N 1 2 360.461 3.982 20 30 FHEDLO C=CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000111727725 944413197 /nfs/dbraw/zinc/41/31/97/944413197.db2.gz SAHZLZMURRVCJE-IAGOWNOFSA-N 1 2 357.498 3.726 20 30 FHEDLO CCCCCCCC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001270134473 944706179 /nfs/dbraw/zinc/70/61/79/944706179.db2.gz MVGKWCRYINZQFA-OAQYLSRUSA-N 1 2 361.530 3.569 20 30 FHEDLO CCCCCCCC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001270134473 944706185 /nfs/dbraw/zinc/70/61/85/944706185.db2.gz MVGKWCRYINZQFA-OAQYLSRUSA-N 1 2 361.530 3.569 20 30 FHEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1)c1ccc(C#N)cc1 ZINC000194628289 944712577 /nfs/dbraw/zinc/71/25/77/944712577.db2.gz HUNHRNBHWVVGQA-MRXNPFEDSA-N 1 2 372.428 3.930 20 30 FHEDLO C=CCCOCCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425671909 944895476 /nfs/dbraw/zinc/89/54/76/944895476.db2.gz JDIZRQGMRSQUCK-UHFFFAOYSA-N 1 2 354.454 3.601 20 30 FHEDLO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCOC3(CCCC3)C2)C2CC2)cc1 ZINC000330132743 945370285 /nfs/dbraw/zinc/37/02/85/945370285.db2.gz QQEXJKNXRBTKQW-FQEVSTJZSA-N 1 2 358.482 3.748 20 30 FHEDLO COc1ccc([C@@H](NC(=O)C[N@H+]2CCOC3(CCCC3)C2)C2CC2)cc1 ZINC000330132743 945370297 /nfs/dbraw/zinc/37/02/97/945370297.db2.gz QQEXJKNXRBTKQW-FQEVSTJZSA-N 1 2 358.482 3.748 20 30 FHEDLO C[C@@]12CC[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]1C2(F)F ZINC000330254825 945427683 /nfs/dbraw/zinc/42/76/83/945427683.db2.gz PJMWRAHPKZDWPO-GXTWGEPZSA-N 1 2 360.307 3.573 20 30 FHEDLO C[C@@]12CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]1C2(F)F ZINC000330254825 945427693 /nfs/dbraw/zinc/42/76/93/945427693.db2.gz PJMWRAHPKZDWPO-GXTWGEPZSA-N 1 2 360.307 3.573 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660970106 945607971 /nfs/dbraw/zinc/60/79/71/945607971.db2.gz XXVUSZGFGIYSSB-QGWWYQLQSA-N 1 2 361.436 3.603 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660970106 945607978 /nfs/dbraw/zinc/60/79/78/945607978.db2.gz XXVUSZGFGIYSSB-QGWWYQLQSA-N 1 2 361.436 3.603 20 30 FHEDLO C[C@H](c1cccc(Br)c1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545505986 945876109 /nfs/dbraw/zinc/87/61/09/945876109.db2.gz BXHMPOHVFGVKIN-CQSZACIVSA-N 1 2 371.282 3.599 20 30 FHEDLO CN(CCC#N)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000301615682 945877286 /nfs/dbraw/zinc/87/72/86/945877286.db2.gz VICJZGUZFUZWSE-UHFFFAOYSA-N 1 2 351.479 3.770 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccc(OC)cc1 ZINC000054272294 946029848 /nfs/dbraw/zinc/02/98/48/946029848.db2.gz UTOIGNDRWOXRTR-UHFFFAOYSA-N 1 2 357.454 3.607 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccc(OC)cc1 ZINC000054272294 946029861 /nfs/dbraw/zinc/02/98/61/946029861.db2.gz UTOIGNDRWOXRTR-UHFFFAOYSA-N 1 2 357.454 3.607 20 30 FHEDLO CC[C@H](C#N)Oc1cc(CNc2nc(N)c3ccccc3[nH+]2)ccc1OC ZINC000301910684 946033165 /nfs/dbraw/zinc/03/31/65/946033165.db2.gz SDLJSIZLEUKMET-CQSZACIVSA-N 1 2 363.421 3.514 20 30 FHEDLO CC[C@H](C#N)Oc1cc(CNc2nc(C)[nH+]c3c2CCCC3)ccc1OC ZINC000302063247 946103527 /nfs/dbraw/zinc/10/35/27/946103527.db2.gz UUFPJDCCPHDGRV-MRXNPFEDSA-N 1 2 366.465 3.966 20 30 FHEDLO N#CC[C@H](CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000475118321 946413977 /nfs/dbraw/zinc/41/39/77/946413977.db2.gz NDYOTTZDINSQHW-HXUWFJFHSA-N 1 2 363.461 3.545 20 30 FHEDLO Cc1ccccc1[C@@H]1C[C@H](C)N(C([O-])=[NH+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328602806 946979241 /nfs/dbraw/zinc/97/92/41/946979241.db2.gz HEWHUDAJAHTSCM-OKZBNKHCSA-N 1 2 352.482 3.861 20 30 FHEDLO CC[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328777569 947023430 /nfs/dbraw/zinc/02/34/30/947023430.db2.gz LLKXXJMSKHQEAA-MSOLQXFVSA-N 1 2 360.502 3.649 20 30 FHEDLO CC[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328777569 947023442 /nfs/dbraw/zinc/02/34/42/947023442.db2.gz LLKXXJMSKHQEAA-MSOLQXFVSA-N 1 2 360.502 3.649 20 30 FHEDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ccccc2c1 ZINC000328803200 947052471 /nfs/dbraw/zinc/05/24/71/947052471.db2.gz LFXMOQYLLJVGCH-NIKGAXFTSA-N 1 2 351.450 3.908 20 30 FHEDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ccccc2c1 ZINC000328803200 947052480 /nfs/dbraw/zinc/05/24/80/947052480.db2.gz LFXMOQYLLJVGCH-NIKGAXFTSA-N 1 2 351.450 3.908 20 30 FHEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCc1ccccc1OC1CCCC1 ZINC000328832385 947054883 /nfs/dbraw/zinc/05/48/83/947054883.db2.gz ROWJCUOOHIZGAF-QZTJIDSGSA-N 1 2 371.481 3.515 20 30 FHEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCc1ccccc1OC1CCCC1 ZINC000328832385 947054889 /nfs/dbraw/zinc/05/48/89/947054889.db2.gz ROWJCUOOHIZGAF-QZTJIDSGSA-N 1 2 371.481 3.515 20 30 FHEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H](c1ccccc1)C1CCCC1 ZINC000328850617 947064584 /nfs/dbraw/zinc/06/45/84/947064584.db2.gz WMRHVSSXJBESJA-GGPKGHCWSA-N 1 2 355.482 3.925 20 30 FHEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H](c1ccccc1)C1CCCC1 ZINC000328850617 947064597 /nfs/dbraw/zinc/06/45/97/947064597.db2.gz WMRHVSSXJBESJA-GGPKGHCWSA-N 1 2 355.482 3.925 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000328885520 947082641 /nfs/dbraw/zinc/08/26/41/947082641.db2.gz ZFEJPAYQTNNGRE-CRAIPNDOSA-N 1 2 352.482 3.936 20 30 FHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000328933343 947092763 /nfs/dbraw/zinc/09/27/63/947092763.db2.gz DVZOXDCAJXDTPJ-VNHYZAJKSA-N 1 2 366.421 3.811 20 30 FHEDLO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1cn(C)nn1 ZINC000444679787 947104506 /nfs/dbraw/zinc/10/45/06/947104506.db2.gz CGDKWPUGENTHAP-UHFFFAOYSA-N 1 2 359.477 3.537 20 30 FHEDLO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1cn(C)nn1 ZINC000444679787 947104498 /nfs/dbraw/zinc/10/44/98/947104498.db2.gz CGDKWPUGENTHAP-UHFFFAOYSA-N 1 2 359.477 3.537 20 30 FHEDLO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H]3CCn4c[nH+]cc4C3)ccc2NC1=O ZINC000328930260 947113942 /nfs/dbraw/zinc/11/39/42/947113942.db2.gz HJZOCGGQESQLGQ-JDFRZJQESA-N 1 2 368.437 3.922 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000662084199 947221682 /nfs/dbraw/zinc/22/16/82/947221682.db2.gz NVSIUPPGCLHFRU-CALCHBBNSA-N 1 2 374.531 3.897 20 30 FHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000662084199 947221691 /nfs/dbraw/zinc/22/16/91/947221691.db2.gz NVSIUPPGCLHFRU-CALCHBBNSA-N 1 2 374.531 3.897 20 30 FHEDLO C=C[C@](C)(CCOC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011638 947302153 /nfs/dbraw/zinc/30/21/53/947302153.db2.gz ZWDJZRJHHUUXLG-PLMTUMEDSA-N 1 2 371.481 3.512 20 30 FHEDLO C=C[C@](C)(CCOC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011638 947302167 /nfs/dbraw/zinc/30/21/67/947302167.db2.gz ZWDJZRJHHUUXLG-PLMTUMEDSA-N 1 2 371.481 3.512 20 30 FHEDLO CC[C@H](C)[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C(F)(F)F ZINC000331331469 947387834 /nfs/dbraw/zinc/38/78/34/947387834.db2.gz UIFSLYUYOACHHW-GUTXKFCHSA-N 1 2 360.424 3.566 20 30 FHEDLO C=CC1CC[NH+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000523606687 947413972 /nfs/dbraw/zinc/41/39/72/947413972.db2.gz OKQHMYFSCVWKHF-UHFFFAOYSA-N 1 2 371.794 3.733 20 30 FHEDLO COc1cc(OC)c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000093872381 947434794 /nfs/dbraw/zinc/43/47/94/947434794.db2.gz QILHGUNJDGVEIA-ICSRJNTNSA-N 1 2 366.461 3.984 20 30 FHEDLO COc1cc(OC)c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000093872381 947434799 /nfs/dbraw/zinc/43/47/99/947434799.db2.gz QILHGUNJDGVEIA-ICSRJNTNSA-N 1 2 366.461 3.984 20 30 FHEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161404 948107260 /nfs/dbraw/zinc/10/72/60/948107260.db2.gz YDAJOCWZTNNUJO-SJORKVTESA-N 1 2 363.864 3.815 20 30 FHEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161404 948107267 /nfs/dbraw/zinc/10/72/67/948107267.db2.gz YDAJOCWZTNNUJO-SJORKVTESA-N 1 2 363.864 3.815 20 30 FHEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000432355444 948204313 /nfs/dbraw/zinc/20/43/13/948204313.db2.gz DXLQRWGTMWSQBC-SJORKVTESA-N 1 2 351.441 3.612 20 30 FHEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000432355444 948204317 /nfs/dbraw/zinc/20/43/17/948204317.db2.gz DXLQRWGTMWSQBC-SJORKVTESA-N 1 2 351.441 3.612 20 30 FHEDLO COc1ccc(CN2CCc3c2nc[nH+]c3N[C@H]2CC[C@H](C#N)CC2)cc1 ZINC001167842928 948402189 /nfs/dbraw/zinc/40/21/89/948402189.db2.gz SKFDGIYMFFNULR-JCNLHEQBSA-N 1 2 363.465 3.542 20 30 FHEDLO CC(C)C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000602099088 567926453 /nfs/dbraw/zinc/92/64/53/567926453.db2.gz XDAWWOOOHKSXSE-HOTGVXAUSA-N 1 2 364.371 3.870 20 30 FHEDLO COc1ccc(N(C(C)=O)c2nc(C[NH2+]CC3(CC#N)CC3)cs2)cc1 ZINC000602642026 568003309 /nfs/dbraw/zinc/00/33/09/568003309.db2.gz GSCOMNIKPXHSAE-UHFFFAOYSA-N 1 2 370.478 3.620 20 30 FHEDLO CSC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000602923577 568017985 /nfs/dbraw/zinc/01/79/85/568017985.db2.gz RLHYORSMVCPJKP-CQSZACIVSA-N 1 2 363.552 3.704 20 30 FHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC(F)(F)F)CC2)c(C#N)c1C ZINC000568907379 568251815 /nfs/dbraw/zinc/25/18/15/568251815.db2.gz HKJGOFPXPMWAOG-NSHDSACASA-N 1 2 357.376 3.760 20 30 FHEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1cccc(C#N)c1 ZINC000604487257 568298402 /nfs/dbraw/zinc/29/84/02/568298402.db2.gz QMEPLHGHEUCUOC-HSZRJFAPSA-N 1 2 359.473 3.814 20 30 FHEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1cccc(C#N)c1 ZINC000604487257 568298403 /nfs/dbraw/zinc/29/84/03/568298403.db2.gz QMEPLHGHEUCUOC-HSZRJFAPSA-N 1 2 359.473 3.814 20 30 FHEDLO CCOc1ccc(Oc2cc(C[NH2+]Cc3nc(C#N)cs3)ccn2)cc1 ZINC000584712666 568364548 /nfs/dbraw/zinc/36/45/48/568364548.db2.gz ZCMVUDOLUHVGDW-UHFFFAOYSA-N 1 2 366.446 3.891 20 30 FHEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000032832296 568410183 /nfs/dbraw/zinc/41/01/83/568410183.db2.gz SBXZYERUFDABBH-UHFFFAOYSA-N 1 2 354.281 3.768 20 30 FHEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000032832296 568410184 /nfs/dbraw/zinc/41/01/84/568410184.db2.gz SBXZYERUFDABBH-UHFFFAOYSA-N 1 2 354.281 3.768 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000823909774 608501340 /nfs/dbraw/zinc/50/13/40/608501340.db2.gz QNYRPYLEKBNXGX-UHFFFAOYSA-N 1 2 351.888 3.831 20 30 FHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000823909774 608501341 /nfs/dbraw/zinc/50/13/41/608501341.db2.gz QNYRPYLEKBNXGX-UHFFFAOYSA-N 1 2 351.888 3.831 20 30 FHEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000023355469 927054826 /nfs/dbraw/zinc/05/48/26/927054826.db2.gz COAOHRQXEJMGCS-HNNXBMFYSA-N 1 2 357.404 3.904 20 30 FHEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000023355469 927054836 /nfs/dbraw/zinc/05/48/36/927054836.db2.gz COAOHRQXEJMGCS-HNNXBMFYSA-N 1 2 357.404 3.904 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728196280 928055252 /nfs/dbraw/zinc/05/52/52/928055252.db2.gz NYWQAKGPSKIMFQ-LJQANCHMSA-N 1 2 368.452 3.796 20 30 FHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728196280 928055261 /nfs/dbraw/zinc/05/52/61/928055261.db2.gz NYWQAKGPSKIMFQ-LJQANCHMSA-N 1 2 368.452 3.796 20 30 FHEDLO N#CCCN(C(=O)C[NH+]1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC000579862422 928749139 /nfs/dbraw/zinc/74/91/39/928749139.db2.gz XUXOUXTVLKTBIB-UHFFFAOYSA-N 1 2 353.388 3.598 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177632727 929717843 /nfs/dbraw/zinc/71/78/43/929717843.db2.gz KEUNLUDJTASIBE-CQSZACIVSA-N 1 2 363.914 3.832 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177632727 929717849 /nfs/dbraw/zinc/71/78/49/929717849.db2.gz KEUNLUDJTASIBE-CQSZACIVSA-N 1 2 363.914 3.832 20 30 FHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796681997 937357223 /nfs/dbraw/zinc/35/72/23/937357223.db2.gz GBONVCYTBMEYFH-IBGZPJMESA-N 1 2 359.445 3.721 20 30 FHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796681997 937357227 /nfs/dbraw/zinc/35/72/27/937357227.db2.gz GBONVCYTBMEYFH-IBGZPJMESA-N 1 2 359.445 3.721 20 30 FHEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000610341094 930036400 /nfs/dbraw/zinc/03/64/00/930036400.db2.gz XYADBFVMGUFQEM-GJZGRUSLSA-N 1 2 357.404 3.951 20 30 FHEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001167434816 931156147 /nfs/dbraw/zinc/15/61/47/931156147.db2.gz ZICARYBZRGWETD-INIZCTEOSA-N 1 2 358.265 3.812 20 30 FHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000156770528 931455082 /nfs/dbraw/zinc/45/50/82/931455082.db2.gz YOBQIRYENKMJPW-SFHVURJKSA-N 1 2 358.463 3.542 20 30 FHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000156770528 931455086 /nfs/dbraw/zinc/45/50/86/931455086.db2.gz YOBQIRYENKMJPW-SFHVURJKSA-N 1 2 358.463 3.542 20 30 FHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000156972423 931752555 /nfs/dbraw/zinc/75/25/55/931752555.db2.gz WHGVKFRDKDMPNI-SFTDATJTSA-N 1 2 363.461 3.675 20 30 FHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000156972423 931752560 /nfs/dbraw/zinc/75/25/60/931752560.db2.gz WHGVKFRDKDMPNI-SFTDATJTSA-N 1 2 363.461 3.675 20 30 FHEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000126642909 932309807 /nfs/dbraw/zinc/30/98/07/932309807.db2.gz JBVJSGLCRUYSIJ-CXAGYDPISA-N 1 2 373.453 3.549 20 30 FHEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000126642909 932309814 /nfs/dbraw/zinc/30/98/14/932309814.db2.gz JBVJSGLCRUYSIJ-CXAGYDPISA-N 1 2 373.453 3.549 20 30 FHEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152473975 932726600 /nfs/dbraw/zinc/72/66/00/932726600.db2.gz HUPNNUSGBROBKI-SJORKVTESA-N 1 2 363.864 3.815 20 30 FHEDLO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152473975 932726608 /nfs/dbraw/zinc/72/66/08/932726608.db2.gz HUPNNUSGBROBKI-SJORKVTESA-N 1 2 363.864 3.815 20 30 FHEDLO COc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001143399719 932779778 /nfs/dbraw/zinc/77/97/78/932779778.db2.gz CEMLUIWGYJSUMM-MRXNPFEDSA-N 1 2 358.388 3.888 20 30 FHEDLO COc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001143399719 932779779 /nfs/dbraw/zinc/77/97/79/932779779.db2.gz CEMLUIWGYJSUMM-MRXNPFEDSA-N 1 2 358.388 3.888 20 30 FHEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1F ZINC000538139484 934567347 /nfs/dbraw/zinc/56/73/47/934567347.db2.gz WLOXGOYONCPMOL-UHFFFAOYSA-N 1 2 371.843 3.699 20 30 FHEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1F ZINC000538139484 934567359 /nfs/dbraw/zinc/56/73/59/934567359.db2.gz WLOXGOYONCPMOL-UHFFFAOYSA-N 1 2 371.843 3.699 20 30 FHEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)ccn1 ZINC000610995144 934741609 /nfs/dbraw/zinc/74/16/09/934741609.db2.gz OWPMWZVFPJEGQI-OAQYLSRUSA-N 1 2 370.456 3.501 20 30 FHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)ccn1 ZINC000610995144 934741611 /nfs/dbraw/zinc/74/16/11/934741611.db2.gz OWPMWZVFPJEGQI-OAQYLSRUSA-N 1 2 370.456 3.501 20 30 FHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511107146 935595017 /nfs/dbraw/zinc/59/50/17/935595017.db2.gz NJKSHHDPTPHQBW-AWEZNQCLSA-N 1 2 365.880 3.699 20 30 FHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511107146 935595020 /nfs/dbraw/zinc/59/50/20/935595020.db2.gz NJKSHHDPTPHQBW-AWEZNQCLSA-N 1 2 365.880 3.699 20 30 FHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(C#N)ccc1OC ZINC000127667384 935715490 /nfs/dbraw/zinc/71/54/90/935715490.db2.gz ANCYXVIDYMVRPD-UHFFFAOYSA-N 1 2 351.450 3.726 20 30 FHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(C#N)ccc1OC ZINC000127667384 935715494 /nfs/dbraw/zinc/71/54/94/935715494.db2.gz ANCYXVIDYMVRPD-UHFFFAOYSA-N 1 2 351.450 3.726 20 30 FHEDLO CCCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(OC(F)F)c1 ZINC000562071733 935778520 /nfs/dbraw/zinc/77/85/20/935778520.db2.gz PFNHBULKFCDIHS-UHFFFAOYSA-N 1 2 353.394 3.695 20 30 FHEDLO C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1F ZINC000479522789 935852233 /nfs/dbraw/zinc/85/22/33/935852233.db2.gz BZBHHCMJRHBECJ-BDJLRTHQSA-N 1 2 368.330 3.980 20 30 FHEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046518985 935959931 /nfs/dbraw/zinc/95/99/31/935959931.db2.gz ZJADFIDIUYFLLJ-UHFFFAOYSA-N 1 2 357.841 3.599 20 30 FHEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046518985 935959936 /nfs/dbraw/zinc/95/99/36/935959936.db2.gz ZJADFIDIUYFLLJ-UHFFFAOYSA-N 1 2 357.841 3.599 20 30 FHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCCOCC1 ZINC000329276003 938312150 /nfs/dbraw/zinc/31/21/50/938312150.db2.gz KYVVAHZFSUWTQL-OAHLLOKOSA-N 1 2 360.454 3.817 20 30 FHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCCOCC1 ZINC000329276003 938312152 /nfs/dbraw/zinc/31/21/52/938312152.db2.gz KYVVAHZFSUWTQL-OAHLLOKOSA-N 1 2 360.454 3.817 20 30 FHEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329293862 938327323 /nfs/dbraw/zinc/32/73/23/938327323.db2.gz OCBYOAXNKBTFIO-MJGOQNOKSA-N 1 2 363.546 3.636 20 30 FHEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329293862 938327326 /nfs/dbraw/zinc/32/73/26/938327326.db2.gz OCBYOAXNKBTFIO-MJGOQNOKSA-N 1 2 363.546 3.636 20 30 FHEDLO COc1ccccc1[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)[NH+]1CCCC1 ZINC000255577079 938361080 /nfs/dbraw/zinc/36/10/80/938361080.db2.gz JIZOYBXLCANZMU-LZAZYHHXSA-N 1 2 369.421 3.565 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](C)COC ZINC000661245356 938435162 /nfs/dbraw/zinc/43/51/62/938435162.db2.gz ZXWDHWLJFHSGJB-NSHDSACASA-N 1 2 364.795 3.820 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](C)COC ZINC000661245356 938435167 /nfs/dbraw/zinc/43/51/67/938435167.db2.gz ZXWDHWLJFHSGJB-NSHDSACASA-N 1 2 364.795 3.820 20 30 FHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCOCC2(CC2)C1 ZINC000329633469 938558932 /nfs/dbraw/zinc/55/89/32/938558932.db2.gz SKGLTWWFFICKQS-UHFFFAOYSA-N 1 2 366.465 3.544 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000584385297 938793231 /nfs/dbraw/zinc/79/32/31/938793231.db2.gz FKNLCWZRVNMDCB-HRAATJIYSA-N 1 2 357.473 3.748 20 30 FHEDLO C[C@@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000458805230 938964988 /nfs/dbraw/zinc/96/49/88/938964988.db2.gz UJJQQTUPGQTRHG-MISYRCLQSA-N 1 2 365.481 3.911 20 30 FHEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)nnn1-c1ccc(Cl)cc1 ZINC000255695331 939121140 /nfs/dbraw/zinc/12/11/40/939121140.db2.gz LCDRPINIJWAJIQ-KTKRTIGZSA-N 1 2 363.808 3.773 20 30 FHEDLO CSCc1cnc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000507492861 945278915 /nfs/dbraw/zinc/27/89/15/945278915.db2.gz QWFOERMIALOSIC-UHFFFAOYSA-N 1 2 358.536 3.590 20 30 FHEDLO CSCc1cnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000507492861 945278923 /nfs/dbraw/zinc/27/89/23/945278923.db2.gz QWFOERMIALOSIC-UHFFFAOYSA-N 1 2 358.536 3.590 20 30 FHEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@@H](C)c3nc4ccccc4s3)CC2)n1 ZINC000587024606 939893534 /nfs/dbraw/zinc/89/35/34/939893534.db2.gz DHUZNQKABLDBBJ-HNNXBMFYSA-N 1 2 363.490 3.755 20 30 FHEDLO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000179764770 939932447 /nfs/dbraw/zinc/93/24/47/939932447.db2.gz IELPTYNQRBYETQ-WOJBJXKFSA-N 1 2 373.859 3.512 20 30 FHEDLO C[N@@H+]1CCO[C@@H]([C@H](NCc2ccc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000179764770 939932449 /nfs/dbraw/zinc/93/24/49/939932449.db2.gz IELPTYNQRBYETQ-WOJBJXKFSA-N 1 2 373.859 3.512 20 30 FHEDLO C[N@H+]1CCO[C@@H]([C@H](NCc2ccc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000179764770 939932454 /nfs/dbraw/zinc/93/24/54/939932454.db2.gz IELPTYNQRBYETQ-WOJBJXKFSA-N 1 2 373.859 3.512 20 30 FHEDLO C=CC[N@@H+](Cc1csc(N(CCOC)C(C)=O)n1)CC1CCCCC1 ZINC000506456282 945289592 /nfs/dbraw/zinc/28/95/92/945289592.db2.gz QISYFFXTWRMXMN-UHFFFAOYSA-N 1 2 365.543 3.711 20 30 FHEDLO C=CC[N@H+](Cc1csc(N(CCOC)C(C)=O)n1)CC1CCCCC1 ZINC000506456282 945289599 /nfs/dbraw/zinc/28/95/99/945289599.db2.gz QISYFFXTWRMXMN-UHFFFAOYSA-N 1 2 365.543 3.711 20 30 FHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000375956161 940105841 /nfs/dbraw/zinc/10/58/41/940105841.db2.gz VRFXSOVXVYTNEQ-AWEZNQCLSA-N 1 2 368.868 3.813 20 30 FHEDLO Cc1cccn2cc(CC(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)[nH+]c12 ZINC000066397372 940479348 /nfs/dbraw/zinc/47/93/48/940479348.db2.gz VDCHGCTWAXRJLN-IBGZPJMESA-N 1 2 360.461 3.864 20 30 FHEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000580786250 940487210 /nfs/dbraw/zinc/48/72/10/940487210.db2.gz OCQYKUSCOAKQAE-CHWSQXEVSA-N 1 2 363.377 3.928 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)C2 ZINC000376232765 940497614 /nfs/dbraw/zinc/49/76/14/940497614.db2.gz PMCYLCXPFSJFBZ-OAHLLOKOSA-N 1 2 366.465 3.959 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)CC2 ZINC000376232765 940497615 /nfs/dbraw/zinc/49/76/15/940497615.db2.gz PMCYLCXPFSJFBZ-OAHLLOKOSA-N 1 2 366.465 3.959 20 30 FHEDLO N#CCC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2c(F)cccc21)c1ccccc1 ZINC000376321620 940769167 /nfs/dbraw/zinc/76/91/67/940769167.db2.gz ZUXVAUDXPHEDMV-MSOLQXFVSA-N 1 2 358.438 3.679 20 30 FHEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000330105119 945358441 /nfs/dbraw/zinc/35/84/41/945358441.db2.gz IDDVRDIADBQGJP-KKSFZXQISA-N 1 2 354.450 3.698 20 30 FHEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000330105119 945358454 /nfs/dbraw/zinc/35/84/54/945358454.db2.gz IDDVRDIADBQGJP-KKSFZXQISA-N 1 2 354.450 3.698 20 30 FHEDLO Oc1cccc(N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000175744583 940918388 /nfs/dbraw/zinc/91/83/88/940918388.db2.gz YZLUUOVIEHBGRR-UHFFFAOYSA-N 1 2 360.379 3.585 20 30 FHEDLO C[C@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176021965 940968413 /nfs/dbraw/zinc/96/84/13/940968413.db2.gz LELQPHXVALABCE-HNNXBMFYSA-N 1 2 362.458 3.979 20 30 FHEDLO C=CC[C@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000187809310 941104798 /nfs/dbraw/zinc/10/47/98/941104798.db2.gz JMIFDLRTRSHVRU-NRFANRHFSA-N 1 2 359.473 3.950 20 30 FHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189563267 941161261 /nfs/dbraw/zinc/16/12/61/941161261.db2.gz XUKYFKIFAPCMEB-ROUUACIJSA-N 1 2 374.366 3.542 20 30 FHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189563267 941161262 /nfs/dbraw/zinc/16/12/62/941161262.db2.gz XUKYFKIFAPCMEB-ROUUACIJSA-N 1 2 374.366 3.542 20 30 FHEDLO NC(=[NH+]OCc1ccn(C2CCCC2)n1)c1ccc(Br)cc1 ZINC000782948647 941322356 /nfs/dbraw/zinc/32/23/56/941322356.db2.gz NNQBDLBISFBQKO-UHFFFAOYSA-N 1 2 363.259 3.598 20 30 FHEDLO NC(=[NH+]OCc1ncc(-c2ccccc2)o1)c1ccc(Br)cc1 ZINC000782949568 941325549 /nfs/dbraw/zinc/32/55/49/941325549.db2.gz JHOWTDMGHJREMF-UHFFFAOYSA-N 1 2 372.222 3.941 20 30 FHEDLO CC(C)(CCC#N)CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000377028869 941496300 /nfs/dbraw/zinc/49/63/00/941496300.db2.gz DTBCFIZLNSPTGF-RTBURBONSA-N 1 2 365.481 3.741 20 30 FHEDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541133243 941666898 /nfs/dbraw/zinc/66/68/98/941666898.db2.gz WGJYZVPXHDCZBK-KKSFZXQISA-N 1 2 370.456 3.862 20 30 FHEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000377672171 941890419 /nfs/dbraw/zinc/89/04/19/941890419.db2.gz HTBGLMQQLYRBRX-AWEZNQCLSA-N 1 2 363.820 3.747 20 30 FHEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000377672171 941890420 /nfs/dbraw/zinc/89/04/20/941890420.db2.gz HTBGLMQQLYRBRX-AWEZNQCLSA-N 1 2 363.820 3.747 20 30 FHEDLO C[C@H](c1ccccc1)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000549397204 942282328 /nfs/dbraw/zinc/28/23/28/942282328.db2.gz HQNNCFYLZXBRHS-MRXNPFEDSA-N 1 2 354.475 3.558 20 30 FHEDLO C[C@H](c1ccccc1)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000549397204 942282330 /nfs/dbraw/zinc/28/23/30/942282330.db2.gz HQNNCFYLZXBRHS-MRXNPFEDSA-N 1 2 354.475 3.558 20 30 FHEDLO COc1cc(C#N)ccc1C[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000501204502 942351406 /nfs/dbraw/zinc/35/14/06/942351406.db2.gz KVDIPKFBDCGISS-OAHLLOKOSA-N 1 2 371.431 3.724 20 30 FHEDLO Cc1nc(C(C)C)ccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000549405338 942434148 /nfs/dbraw/zinc/43/41/48/942434148.db2.gz LGZZNBRDSBJUDS-UHFFFAOYSA-N 1 2 352.457 3.846 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000184003192 942482533 /nfs/dbraw/zinc/48/25/33/942482533.db2.gz BIWDHAPCOZBEAN-HNNXBMFYSA-N 1 2 354.479 3.839 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502504992 942482996 /nfs/dbraw/zinc/48/29/96/942482996.db2.gz AFIZGDIEDZPUCM-AWEZNQCLSA-N 1 2 367.399 3.953 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502504992 942483004 /nfs/dbraw/zinc/48/30/04/942483004.db2.gz AFIZGDIEDZPUCM-AWEZNQCLSA-N 1 2 367.399 3.953 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3cc(F)cc(F)c3)CC2)cc1 ZINC000502510713 942488028 /nfs/dbraw/zinc/48/80/28/942488028.db2.gz LFIWUSYUXXLLOH-UHFFFAOYSA-N 1 2 353.372 3.564 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)CC2)cc1 ZINC000502510713 942488029 /nfs/dbraw/zinc/48/80/29/942488029.db2.gz LFIWUSYUXXLLOH-UHFFFAOYSA-N 1 2 353.372 3.564 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000184003213 942493029 /nfs/dbraw/zinc/49/30/29/942493029.db2.gz BIWDHAPCOZBEAN-OAHLLOKOSA-N 1 2 354.479 3.839 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+]([C@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000502515690 942509292 /nfs/dbraw/zinc/50/92/92/942509292.db2.gz LAKNJARGADMTGB-NRFANRHFSA-N 1 2 361.420 3.592 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000502515690 942509300 /nfs/dbraw/zinc/50/93/00/942509300.db2.gz LAKNJARGADMTGB-NRFANRHFSA-N 1 2 361.420 3.592 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000502515691 942509645 /nfs/dbraw/zinc/50/96/45/942509645.db2.gz LAKNJARGADMTGB-OAQYLSRUSA-N 1 2 361.420 3.592 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000502515691 942509649 /nfs/dbraw/zinc/50/96/49/942509649.db2.gz LAKNJARGADMTGB-OAQYLSRUSA-N 1 2 361.420 3.592 20 30 FHEDLO N#CC(CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000514214614 942823708 /nfs/dbraw/zinc/82/37/08/942823708.db2.gz ODHSULUWXNCDNW-JOCHJYFZSA-N 1 2 374.484 3.566 20 30 FHEDLO N#CC(CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000514214614 942823711 /nfs/dbraw/zinc/82/37/11/942823711.db2.gz ODHSULUWXNCDNW-JOCHJYFZSA-N 1 2 374.484 3.566 20 30 FHEDLO Cc1cc(F)cc2c1C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000502917493 942840463 /nfs/dbraw/zinc/84/04/63/942840463.db2.gz BOSQPZFEVSUFPG-QGZVFWFLSA-N 1 2 365.452 3.828 20 30 FHEDLO Cc1cc(F)cc2c1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000502917493 942840465 /nfs/dbraw/zinc/84/04/65/942840465.db2.gz BOSQPZFEVSUFPG-QGZVFWFLSA-N 1 2 365.452 3.828 20 30 FHEDLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000430090455 942884743 /nfs/dbraw/zinc/88/47/43/942884743.db2.gz NUHGVXQNLTUQDO-ACJLOTCBSA-N 1 2 363.383 3.878 20 30 FHEDLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000430090455 942884749 /nfs/dbraw/zinc/88/47/49/942884749.db2.gz NUHGVXQNLTUQDO-ACJLOTCBSA-N 1 2 363.383 3.878 20 30 FHEDLO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000503181025 943030638 /nfs/dbraw/zinc/03/06/38/943030638.db2.gz LDIATLDGOZCJGP-HXUWFJFHSA-N 1 2 373.460 3.949 20 30 FHEDLO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000503181025 943030652 /nfs/dbraw/zinc/03/06/52/943030652.db2.gz LDIATLDGOZCJGP-HXUWFJFHSA-N 1 2 373.460 3.949 20 30 FHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)c(-c2cccs2)c1 ZINC000434980588 943073898 /nfs/dbraw/zinc/07/38/98/943073898.db2.gz AOYFHPWUQDNODW-UHFFFAOYSA-N 1 2 373.497 3.602 20 30 FHEDLO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000183921085 943100880 /nfs/dbraw/zinc/10/08/80/943100880.db2.gz FOMGKFBDNCSTKF-LLVKDONJSA-N 1 2 374.535 3.725 20 30 FHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000435039077 943106230 /nfs/dbraw/zinc/10/62/30/943106230.db2.gz AEGZKXITOCYHLR-NRFANRHFSA-N 1 2 364.445 3.661 20 30 FHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000183824083 943265206 /nfs/dbraw/zinc/26/52/06/943265206.db2.gz NUEBTULJWGRQIZ-ZDUSSCGKSA-N 1 2 358.442 3.670 20 30 FHEDLO C=CC[N@@H+](C/C(C)=C\c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000503913927 943418288 /nfs/dbraw/zinc/41/82/88/943418288.db2.gz WVEWBUJKWWLKRO-SYCZXOQXSA-N 1 2 373.440 3.784 20 30 FHEDLO C=CC[N@H+](C/C(C)=C\c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000503913927 943418290 /nfs/dbraw/zinc/41/82/90/943418290.db2.gz WVEWBUJKWWLKRO-SYCZXOQXSA-N 1 2 373.440 3.784 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000514988404 943448262 /nfs/dbraw/zinc/44/82/62/943448262.db2.gz WLYMLLXFZWZQTA-UHFFFAOYSA-N 1 2 363.465 3.811 20 30 FHEDLO C=CCn1cc(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 ZINC000424170699 943773325 /nfs/dbraw/zinc/77/33/25/943773325.db2.gz KACLYDRXWKJEKH-UHFFFAOYSA-N 1 2 364.293 3.792 20 30 FHEDLO C=CCn1cc(C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)nn1 ZINC000424170755 943773561 /nfs/dbraw/zinc/77/35/61/943773561.db2.gz KNNNBNIVOKGLTM-UHFFFAOYSA-N 1 2 362.481 3.733 20 30 FHEDLO C=C(C)C(C)(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000424774258 944110992 /nfs/dbraw/zinc/11/09/92/944110992.db2.gz HIRPTMOVVDQMSG-UHFFFAOYSA-N 1 2 364.287 3.666 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3csc4cncn43)n2)C1 ZINC000329688234 944172153 /nfs/dbraw/zinc/17/21/53/944172153.db2.gz ASJWHKIAQHTABH-LLVKDONJSA-N 1 2 361.496 3.721 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3csc4cncn43)n2)C1 ZINC000329688234 944172158 /nfs/dbraw/zinc/17/21/58/944172158.db2.gz ASJWHKIAQHTABH-LLVKDONJSA-N 1 2 361.496 3.721 20 30 FHEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425530963 944248852 /nfs/dbraw/zinc/24/88/52/944248852.db2.gz GMMBHOSYIBTSBT-OAHLLOKOSA-N 1 2 367.449 3.556 20 30 FHEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425530963 944248860 /nfs/dbraw/zinc/24/88/60/944248860.db2.gz GMMBHOSYIBTSBT-OAHLLOKOSA-N 1 2 367.449 3.556 20 30 FHEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCc1ccc(C(=O)OC)cc1 ZINC000437970087 944257958 /nfs/dbraw/zinc/25/79/58/944257958.db2.gz AJTJYBYRQIBJJJ-LJQANCHMSA-N 1 2 352.434 3.834 20 30 FHEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518385859 944321608 /nfs/dbraw/zinc/32/16/08/944321608.db2.gz CCHRHMAIWLJZPS-AWEZNQCLSA-N 1 2 372.375 3.821 20 30 FHEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518385859 944321613 /nfs/dbraw/zinc/32/16/13/944321613.db2.gz CCHRHMAIWLJZPS-AWEZNQCLSA-N 1 2 372.375 3.821 20 30 FHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)ccc2C#N)CC1 ZINC000500297024 944443213 /nfs/dbraw/zinc/44/32/13/944443213.db2.gz QMHMWMNREVPGGE-IBGZPJMESA-N 1 2 356.420 3.813 20 30 FHEDLO C=CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OC ZINC000516142682 944529294 /nfs/dbraw/zinc/52/92/94/944529294.db2.gz PAPADMRIAZEVEE-UHFFFAOYSA-N 1 2 367.380 3.837 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCCO1 ZINC000439477646 944661084 /nfs/dbraw/zinc/66/10/84/944661084.db2.gz VDKHXFIVZXMAGD-GOSISDBHSA-N 1 2 372.513 3.531 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCCO1 ZINC000439477646 944661091 /nfs/dbraw/zinc/66/10/91/944661091.db2.gz VDKHXFIVZXMAGD-GOSISDBHSA-N 1 2 372.513 3.531 20 30 FHEDLO C=CCn1c(SCc2c[nH+]cn2C)nc2sc3c(c2c1=O)CCCC3 ZINC000439539832 944744935 /nfs/dbraw/zinc/74/49/35/944744935.db2.gz FPUVAWITLQZXFG-UHFFFAOYSA-N 1 2 372.519 3.549 20 30 FHEDLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330133475 945370158 /nfs/dbraw/zinc/37/01/58/945370158.db2.gz REGJXGFAOUTILU-DOXZYTNZSA-N 1 2 364.511 3.655 20 30 FHEDLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330133475 945370169 /nfs/dbraw/zinc/37/01/69/945370169.db2.gz REGJXGFAOUTILU-DOXZYTNZSA-N 1 2 364.511 3.655 20 30 FHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(C)CCCNC3=O)n2)C1 ZINC000330155701 945379396 /nfs/dbraw/zinc/37/93/96/945379396.db2.gz YLCVVNCYVARBPQ-SJCJKPOMSA-N 1 2 350.488 3.720 20 30 FHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(C)CCCNC3=O)n2)C1 ZINC000330155701 945379406 /nfs/dbraw/zinc/37/94/06/945379406.db2.gz YLCVVNCYVARBPQ-SJCJKPOMSA-N 1 2 350.488 3.720 20 30 FHEDLO Cc1cccn2cc(CC(=O)Nc3ccccc3SCCC#N)[nH+]c12 ZINC000519404281 945379608 /nfs/dbraw/zinc/37/96/08/945379608.db2.gz IYEGKCKUYMPTAG-UHFFFAOYSA-N 1 2 350.447 3.830 20 30 FHEDLO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@@]2(CCOC2)O1 ZINC000330160572 945382121 /nfs/dbraw/zinc/38/21/21/945382121.db2.gz SBXPENUJUHSWLB-ZPMCFJSWSA-N 1 2 372.509 3.754 20 30 FHEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@@]2(CCOC2)O1 ZINC000330160572 945382129 /nfs/dbraw/zinc/38/21/29/945382129.db2.gz SBXPENUJUHSWLB-ZPMCFJSWSA-N 1 2 372.509 3.754 20 30 FHEDLO CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330251096 945425444 /nfs/dbraw/zinc/42/54/44/945425444.db2.gz NFWAGSPNZOSPFU-SFHVURJKSA-N 1 2 354.454 3.543 20 30 FHEDLO C#C[C@H]([NH2+]Cc1cnc(CCOC)s1)c1ccc(Br)cc1 ZINC000894870795 945557316 /nfs/dbraw/zinc/55/73/16/945557316.db2.gz PKYNOKKYQSQLBT-HNNXBMFYSA-N 1 2 365.296 3.559 20 30 FHEDLO Cc1cccc2c1CC[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000729480332 945574646 /nfs/dbraw/zinc/57/46/46/945574646.db2.gz USWCEVHTUUYURU-QGZVFWFLSA-N 1 2 361.470 3.839 20 30 FHEDLO Cc1cccc2c1CC[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000729480332 945574652 /nfs/dbraw/zinc/57/46/52/945574652.db2.gz USWCEVHTUUYURU-QGZVFWFLSA-N 1 2 361.470 3.839 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[C@@H]2CCOc3ccccc32)CCO1 ZINC000330336633 945605593 /nfs/dbraw/zinc/60/55/93/945605593.db2.gz SORKTGCRORMZSZ-KHYOSLBOSA-N 1 2 355.438 3.553 20 30 FHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCO1 ZINC000281559526 945767374 /nfs/dbraw/zinc/76/73/74/945767374.db2.gz YCSSWGXPJHZPFQ-CVEARBPZSA-N 1 2 361.511 3.520 20 30 FHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCO1 ZINC000281559526 945767383 /nfs/dbraw/zinc/76/73/83/945767383.db2.gz YCSSWGXPJHZPFQ-CVEARBPZSA-N 1 2 361.511 3.520 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+]1CCSCC1 ZINC000151766659 946122260 /nfs/dbraw/zinc/12/22/60/946122260.db2.gz NBZWBDCKJLYJIO-OAHLLOKOSA-N 1 2 367.474 3.726 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000441112257 946221734 /nfs/dbraw/zinc/22/17/34/946221734.db2.gz CPPQYTQYWYTANP-GGAORHGYSA-N 1 2 361.489 3.840 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000441112257 946221742 /nfs/dbraw/zinc/22/17/42/946221742.db2.gz CPPQYTQYWYTANP-GGAORHGYSA-N 1 2 361.489 3.840 20 30 FHEDLO COc1ccc(C[N@H+](Cc2nc(C#N)cs2)[C@@H](C)C2CC2)c(OC)c1 ZINC000567317932 946506158 /nfs/dbraw/zinc/50/61/58/946506158.db2.gz LTHQAJUKIYJIAT-ZDUSSCGKSA-N 1 2 357.479 3.833 20 30 FHEDLO COc1ccc(C[N@@H+](Cc2nc(C#N)cs2)[C@@H](C)C2CC2)c(OC)c1 ZINC000567317932 946506169 /nfs/dbraw/zinc/50/61/69/946506169.db2.gz LTHQAJUKIYJIAT-ZDUSSCGKSA-N 1 2 357.479 3.833 20 30 FHEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000550354195 946730447 /nfs/dbraw/zinc/73/04/47/946730447.db2.gz JCKRFCIEAFXHLQ-HNNXBMFYSA-N 1 2 370.522 3.756 20 30 FHEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000550354195 946730456 /nfs/dbraw/zinc/73/04/56/946730456.db2.gz JCKRFCIEAFXHLQ-HNNXBMFYSA-N 1 2 370.522 3.756 20 30 FHEDLO N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)ccc1F ZINC001143518678 946794147 /nfs/dbraw/zinc/79/41/47/946794147.db2.gz MMRMGDQAQQGUAS-SFHVURJKSA-N 1 2 357.816 3.954 20 30 FHEDLO N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)ccc1F ZINC001143518678 946794154 /nfs/dbraw/zinc/79/41/54/946794154.db2.gz MMRMGDQAQQGUAS-SFHVURJKSA-N 1 2 357.816 3.954 20 30 FHEDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475343253 946914207 /nfs/dbraw/zinc/91/42/07/946914207.db2.gz ONOACMPXLCDOLI-SFHVURJKSA-N 1 2 371.916 3.743 20 30 FHEDLO Cc1nc2c(cccc2C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000328687291 946988061 /nfs/dbraw/zinc/98/80/61/946988061.db2.gz GXPRLAUVMLYJMJ-MJGOQNOKSA-N 1 2 370.403 3.900 20 30 FHEDLO Cc1nc2c(cccc2C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000328687291 946988072 /nfs/dbraw/zinc/98/80/72/946988072.db2.gz GXPRLAUVMLYJMJ-MJGOQNOKSA-N 1 2 370.403 3.900 20 30 FHEDLO CC1CCC(NC(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000328771928 947020607 /nfs/dbraw/zinc/02/06/07/947020607.db2.gz RJKSPAHAZJZVJE-UHFFFAOYSA-N 1 2 363.546 3.636 20 30 FHEDLO CC1CCC(NC(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000328771928 947020618 /nfs/dbraw/zinc/02/06/18/947020618.db2.gz RJKSPAHAZJZVJE-UHFFFAOYSA-N 1 2 363.546 3.636 20 30 FHEDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000328798549 947050490 /nfs/dbraw/zinc/05/04/90/947050490.db2.gz GIMSRBORQDPPJR-NRISUQOXSA-N 1 2 372.484 3.859 20 30 FHEDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000328798549 947050496 /nfs/dbraw/zinc/05/04/96/947050496.db2.gz GIMSRBORQDPPJR-NRISUQOXSA-N 1 2 372.484 3.859 20 30 FHEDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ccccc2c1 ZINC000328803186 947053152 /nfs/dbraw/zinc/05/31/52/947053152.db2.gz LFXMOQYLLJVGCH-GDIGMMSISA-N 1 2 351.450 3.908 20 30 FHEDLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ccccc2c1 ZINC000328803186 947053162 /nfs/dbraw/zinc/05/31/62/947053162.db2.gz LFXMOQYLLJVGCH-GDIGMMSISA-N 1 2 351.450 3.908 20 30 FHEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCCc1cccc(Cl)c1Cl ZINC000328863339 947071008 /nfs/dbraw/zinc/07/10/08/947071008.db2.gz ZFOATFHUFZVVQA-TZMCWYRMSA-N 1 2 370.280 3.543 20 30 FHEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCCc1cccc(Cl)c1Cl ZINC000328863339 947071021 /nfs/dbraw/zinc/07/10/21/947071021.db2.gz ZFOATFHUFZVVQA-TZMCWYRMSA-N 1 2 370.280 3.543 20 30 FHEDLO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328863132 947071698 /nfs/dbraw/zinc/07/16/98/947071698.db2.gz FWAPHZCGXXHAOG-IPMKNSEASA-N 1 2 368.481 3.671 20 30 FHEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444791998 947231446 /nfs/dbraw/zinc/23/14/46/947231446.db2.gz CGZPMSBPZLXNES-GOSISDBHSA-N 1 2 358.873 3.523 20 30 FHEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444791998 947231432 /nfs/dbraw/zinc/23/14/32/947231432.db2.gz CGZPMSBPZLXNES-GOSISDBHSA-N 1 2 358.873 3.523 20 30 FHEDLO CC1(C)C[N@H+](CCNC(=O)Nc2cc(Cl)c(Cl)cc2F)CCO1 ZINC000331281209 947376690 /nfs/dbraw/zinc/37/66/90/947376690.db2.gz FUMSARYBNHXQCI-UHFFFAOYSA-N 1 2 364.248 3.569 20 30 FHEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cc(Cl)c(Cl)cc2F)CCO1 ZINC000331281209 947376701 /nfs/dbraw/zinc/37/67/01/947376701.db2.gz FUMSARYBNHXQCI-UHFFFAOYSA-N 1 2 364.248 3.569 20 30 FHEDLO CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331295346 947391472 /nfs/dbraw/zinc/39/14/72/947391472.db2.gz CKYAYOXVMAZVCD-RDJZCZTQSA-N 1 2 360.502 3.569 20 30 FHEDLO Cc1cc(C)c(NC(=O)NCC2CCN(CC(F)(F)F)CC2)c(C)[nH+]1 ZINC000331349470 947402177 /nfs/dbraw/zinc/40/21/77/947402177.db2.gz XVHQIJQMVBXRHB-UHFFFAOYSA-N 1 2 358.408 3.607 20 30 FHEDLO N#CCc1ccc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000189707394 947817998 /nfs/dbraw/zinc/81/79/98/947817998.db2.gz QLAFENXBICOILA-UHFFFAOYSA-N 1 2 368.868 3.586 20 30 FHEDLO N#CCc1ccc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000189707394 947818007 /nfs/dbraw/zinc/81/80/07/947818007.db2.gz QLAFENXBICOILA-UHFFFAOYSA-N 1 2 368.868 3.586 20 30 FHEDLO C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000432355441 948203846 /nfs/dbraw/zinc/20/38/46/948203846.db2.gz DXLQRWGTMWSQBC-DLBZAZTESA-N 1 2 351.441 3.612 20 30 FHEDLO C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000432355441 948203855 /nfs/dbraw/zinc/20/38/55/948203855.db2.gz DXLQRWGTMWSQBC-DLBZAZTESA-N 1 2 351.441 3.612 20 30 FHEDLO COc1c(C)cc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1C ZINC000441547301 948244388 /nfs/dbraw/zinc/24/43/88/948244388.db2.gz PQKXJNXTAURZCC-UHFFFAOYSA-N 1 2 362.433 3.866 20 30 FHEDLO COc1c(C)cc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1C ZINC000441547301 948244398 /nfs/dbraw/zinc/24/43/98/948244398.db2.gz PQKXJNXTAURZCC-UHFFFAOYSA-N 1 2 362.433 3.866 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC2(O)CCCCCC2)c1C#N ZINC000614598705 948329693 /nfs/dbraw/zinc/32/96/93/948329693.db2.gz KPIOAARTGXVDSV-UHFFFAOYSA-N 1 2 352.482 3.570 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CC2(O)CCCCCC2)c1C#N ZINC000614598705 948329702 /nfs/dbraw/zinc/32/97/02/948329702.db2.gz KPIOAARTGXVDSV-UHFFFAOYSA-N 1 2 352.482 3.570 20 30 FHEDLO COc1cccc([C@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)CCO2)c1 ZINC000093079770 948479172 /nfs/dbraw/zinc/47/91/72/948479172.db2.gz FZSFICVQEUPWQB-JOCHJYFZSA-N 1 2 366.461 3.951 20 30 FHEDLO COc1cccc([C@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)CCO2)c1 ZINC000093079770 948479175 /nfs/dbraw/zinc/47/91/75/948479175.db2.gz FZSFICVQEUPWQB-JOCHJYFZSA-N 1 2 366.461 3.951 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000512180648 948693535 /nfs/dbraw/zinc/69/35/35/948693535.db2.gz ARIZNSDSKSVDQY-KRWDZBQOSA-N 1 2 356.466 3.794 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000512180648 948693539 /nfs/dbraw/zinc/69/35/39/948693539.db2.gz ARIZNSDSKSVDQY-KRWDZBQOSA-N 1 2 356.466 3.794 20 30 FHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(F)c(C#N)c2)C[C@H](C)O1 ZINC000279298246 948722593 /nfs/dbraw/zinc/72/25/93/948722593.db2.gz YZTSJUYUVKRNJL-GASCZTMLSA-N 1 2 367.424 3.559 20 30 FHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(F)c(C#N)c2)C[C@H](C)O1 ZINC000279298246 948722599 /nfs/dbraw/zinc/72/25/99/948722599.db2.gz YZTSJUYUVKRNJL-GASCZTMLSA-N 1 2 367.424 3.559 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000068401918 221315353 /nfs/dbraw/zinc/31/53/53/221315353.db2.gz JAZPHVHAOPFKOH-UHFFFAOYSA-N 1 2 368.868 3.928 20 30 FHEDLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000097011675 222150276 /nfs/dbraw/zinc/15/02/76/222150276.db2.gz ULKWYEZBJDBEBN-GOSISDBHSA-N 1 2 353.422 3.552 20 30 FHEDLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000097011675 222150279 /nfs/dbraw/zinc/15/02/79/222150279.db2.gz ULKWYEZBJDBEBN-GOSISDBHSA-N 1 2 353.422 3.552 20 30 FHEDLO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2[nH+]1 ZINC000098068708 222225577 /nfs/dbraw/zinc/22/55/77/222225577.db2.gz HXBRCLRIVKDABU-UHFFFAOYSA-N 1 2 354.435 3.533 20 30 FHEDLO CSc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043157411 567898582 /nfs/dbraw/zinc/89/85/82/567898582.db2.gz MGSOJIUQGKNBDT-UHFFFAOYSA-N 1 2 366.490 3.630 20 30 FHEDLO N#CCCC[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000602162565 567945831 /nfs/dbraw/zinc/94/58/31/567945831.db2.gz YJJSSTPDOXMQKQ-JKSUJKDBSA-N 1 2 364.371 3.928 20 30 FHEDLO N#CCCC[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000602162562 567945836 /nfs/dbraw/zinc/94/58/36/567945836.db2.gz YJJSSTPDOXMQKQ-CVEARBPZSA-N 1 2 364.371 3.928 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000568418753 568032213 /nfs/dbraw/zinc/03/22/13/568032213.db2.gz PRPCUAOPOZNIRN-UHFFFAOYSA-N 1 2 350.447 3.755 20 30 FHEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000120373998 568068431 /nfs/dbraw/zinc/06/84/31/568068431.db2.gz ZMXUOYMBFLIYJQ-SFHVURJKSA-N 1 2 353.422 3.552 20 30 FHEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000120373998 568068432 /nfs/dbraw/zinc/06/84/32/568068432.db2.gz ZMXUOYMBFLIYJQ-SFHVURJKSA-N 1 2 353.422 3.552 20 30 FHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000481757391 568114526 /nfs/dbraw/zinc/11/45/26/568114526.db2.gz QCSAGVHWFPWPTM-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000481757391 568114527 /nfs/dbraw/zinc/11/45/27/568114527.db2.gz QCSAGVHWFPWPTM-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1 ZINC000481790108 568126322 /nfs/dbraw/zinc/12/63/22/568126322.db2.gz RJRJVOYBBUQCAB-LJQANCHMSA-N 1 2 351.837 3.527 20 30 FHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1 ZINC000481790108 568126323 /nfs/dbraw/zinc/12/63/23/568126323.db2.gz RJRJVOYBBUQCAB-LJQANCHMSA-N 1 2 351.837 3.527 20 30 FHEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000482092246 568258945 /nfs/dbraw/zinc/25/89/45/568258945.db2.gz WZPNDVSNYOYLPG-KRWDZBQOSA-N 1 2 373.456 3.752 20 30 FHEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)cc1Cl ZINC000031053064 568322354 /nfs/dbraw/zinc/32/23/54/568322354.db2.gz JPEJWCWTVLNKIZ-UHFFFAOYSA-N 1 2 354.281 3.768 20 30 FHEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)cc1Cl ZINC000031053064 568322355 /nfs/dbraw/zinc/32/23/55/568322355.db2.gz JPEJWCWTVLNKIZ-UHFFFAOYSA-N 1 2 354.281 3.768 20 30 FHEDLO Cc1c(Cl)c(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)nc2ccccc12 ZINC000609486180 568346294 /nfs/dbraw/zinc/34/62/94/568346294.db2.gz FHLUJVRAWSOAKI-IBGZPJMESA-N 1 2 356.901 3.862 20 30 FHEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000609487390 568346726 /nfs/dbraw/zinc/34/67/26/568346726.db2.gz QLNNTZOVNQLUKS-UHFFFAOYSA-N 1 2 355.526 3.876 20 30 FHEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000609487390 568346727 /nfs/dbraw/zinc/34/67/27/568346727.db2.gz QLNNTZOVNQLUKS-UHFFFAOYSA-N 1 2 355.526 3.876 20 30 FHEDLO C=CC[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000604899159 568387850 /nfs/dbraw/zinc/38/78/50/568387850.db2.gz NINGOJROUOMPDS-CZUORRHYSA-N 1 2 353.869 3.707 20 30 FHEDLO C=CC[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000604899159 568387851 /nfs/dbraw/zinc/38/78/51/568387851.db2.gz NINGOJROUOMPDS-CZUORRHYSA-N 1 2 353.869 3.707 20 30 FHEDLO Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1)CCCC2 ZINC000328625833 571324702 /nfs/dbraw/zinc/32/47/02/571324702.db2.gz DNQMQXHNZMJUIM-GOSISDBHSA-N 1 2 369.513 3.619 20 30 FHEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)CC1 ZINC001165034165 721873037 /nfs/dbraw/zinc/87/30/37/721873037.db2.gz GNGMSZRFGBVBLY-UHFFFAOYSA-N 1 2 365.264 3.884 20 30 FHEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC1 ZINC001165034464 721873156 /nfs/dbraw/zinc/87/31/56/721873156.db2.gz LJOGTDGJDPQPIJ-UHFFFAOYSA-N 1 2 365.264 3.884 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000187122680 927924553 /nfs/dbraw/zinc/92/45/53/927924553.db2.gz GVSMASXIBQTFIK-INIZCTEOSA-N 1 2 367.880 3.854 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000187122680 927924557 /nfs/dbraw/zinc/92/45/57/927924557.db2.gz GVSMASXIBQTFIK-INIZCTEOSA-N 1 2 367.880 3.854 20 30 FHEDLO C#CC[N@@H+](CN1C[C@H](c2ccccc2C)CC1=O)[C@@H]1CCc2ccccc21 ZINC000728195144 928053462 /nfs/dbraw/zinc/05/34/62/928053462.db2.gz FIWOLQPRUJGRAH-NFBKMPQASA-N 1 2 358.485 3.891 20 30 FHEDLO C#CC[N@H+](CN1C[C@H](c2ccccc2C)CC1=O)[C@@H]1CCc2ccccc21 ZINC000728195144 928053475 /nfs/dbraw/zinc/05/34/75/928053475.db2.gz FIWOLQPRUJGRAH-NFBKMPQASA-N 1 2 358.485 3.891 20 30 FHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117350748 928207053 /nfs/dbraw/zinc/20/70/53/928207053.db2.gz ZRLIOWGKUDOHBP-LLVKDONJSA-N 1 2 360.342 3.616 20 30 FHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117350748 928207056 /nfs/dbraw/zinc/20/70/56/928207056.db2.gz ZRLIOWGKUDOHBP-LLVKDONJSA-N 1 2 360.342 3.616 20 30 FHEDLO N#Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Cl ZINC000126918044 928276926 /nfs/dbraw/zinc/27/69/26/928276926.db2.gz IESGHTAWCBMPNG-UHFFFAOYSA-N 1 2 367.752 3.558 20 30 FHEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000157667903 928406395 /nfs/dbraw/zinc/40/63/95/928406395.db2.gz ZCEKNLGOZWTGHJ-CYBMUJFWSA-N 1 2 367.815 3.985 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cc4ccccc4o3)CC2)cc1 ZINC000023438473 928461396 /nfs/dbraw/zinc/46/13/96/928461396.db2.gz ZPALOSQYIGRJKW-UHFFFAOYSA-N 1 2 373.456 3.581 20 30 FHEDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)nc1 ZINC000187209390 929539162 /nfs/dbraw/zinc/53/91/62/929539162.db2.gz YUJKARBTJYLCSP-UHFFFAOYSA-N 1 2 368.868 3.766 20 30 FHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@H]3CC(F)F)c2)c1 ZINC000580011593 929837425 /nfs/dbraw/zinc/83/74/25/929837425.db2.gz LZQINVQGRLJABA-LJQANCHMSA-N 1 2 372.415 3.993 20 30 FHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@H]3CC(F)F)c2)c1 ZINC000580011593 929837426 /nfs/dbraw/zinc/83/74/26/929837426.db2.gz LZQINVQGRLJABA-LJQANCHMSA-N 1 2 372.415 3.993 20 30 FHEDLO N#Cc1ccc(-c2ccc(-c3noc([C@H]4CC[NH2+]CC4(F)F)n3)cc2)cc1 ZINC001211579532 937413995 /nfs/dbraw/zinc/41/39/95/937413995.db2.gz DOYRCVHIRZZZDE-QGZVFWFLSA-N 1 2 366.371 3.987 20 30 FHEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccc(C)c(C)c3)s2)C1=O ZINC000656259153 930905721 /nfs/dbraw/zinc/90/57/21/930905721.db2.gz YGOWMDBCODTXQC-GOSISDBHSA-N 1 2 355.507 3.646 20 30 FHEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccc(C)c(C)c3)s2)C1=O ZINC000656259153 930905725 /nfs/dbraw/zinc/90/57/25/930905725.db2.gz YGOWMDBCODTXQC-GOSISDBHSA-N 1 2 355.507 3.646 20 30 FHEDLO C[N@@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580884503 931298661 /nfs/dbraw/zinc/29/86/61/931298661.db2.gz IQZFZAATUNZQOP-GOEBONIOSA-N 1 2 365.239 3.678 20 30 FHEDLO C[N@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580884503 931298669 /nfs/dbraw/zinc/29/86/69/931298669.db2.gz IQZFZAATUNZQOP-GOEBONIOSA-N 1 2 365.239 3.678 20 30 FHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CC(c3ccccc3)C2)CC1=O ZINC000728314337 931521164 /nfs/dbraw/zinc/52/11/64/931521164.db2.gz WHFQBPVURMSHNO-UHFFFAOYSA-N 1 2 372.472 3.592 20 30 FHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)c(CC)o1 ZINC000581277628 931777012 /nfs/dbraw/zinc/77/70/12/931777012.db2.gz IAJQOFVOFNCPHF-UHFFFAOYSA-N 1 2 359.470 3.984 20 30 FHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)c(CC)o1 ZINC000581277628 931777015 /nfs/dbraw/zinc/77/70/15/931777015.db2.gz IAJQOFVOFNCPHF-UHFFFAOYSA-N 1 2 359.470 3.984 20 30 FHEDLO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC(CCC#N)CC1 ZINC000581367247 931904484 /nfs/dbraw/zinc/90/44/84/931904484.db2.gz PDHHVAGBXSCAQB-UHFFFAOYSA-N 1 2 367.449 3.940 20 30 FHEDLO C=CCCn1cc(CNc2[nH+]c3cc(Cl)c(Cl)cc3n2C)nn1 ZINC000656776581 932413562 /nfs/dbraw/zinc/41/35/62/932413562.db2.gz KAKYPEAUQNEANN-UHFFFAOYSA-N 1 2 351.241 3.660 20 30 FHEDLO C#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)c1 ZINC000933376255 932522734 /nfs/dbraw/zinc/52/27/34/932522734.db2.gz QHLPORFYZQSYRQ-UHFFFAOYSA-N 1 2 354.841 3.638 20 30 FHEDLO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(F)F ZINC000135391962 933445510 /nfs/dbraw/zinc/44/55/10/933445510.db2.gz WNOQTOGJHOEZIS-UHFFFAOYSA-N 1 2 355.454 3.803 20 30 FHEDLO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(F)F ZINC000135391962 933445518 /nfs/dbraw/zinc/44/55/18/933445518.db2.gz WNOQTOGJHOEZIS-UHFFFAOYSA-N 1 2 355.454 3.803 20 30 FHEDLO N#CCC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000276887690 933883376 /nfs/dbraw/zinc/88/33/76/933883376.db2.gz NEDKPDXRZJIWDZ-UHFFFAOYSA-N 1 2 361.243 3.592 20 30 FHEDLO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510874334 933921699 /nfs/dbraw/zinc/92/16/99/933921699.db2.gz ZJMCUJDQWFKGCA-LJQANCHMSA-N 1 2 371.500 3.975 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092361719 934023729 /nfs/dbraw/zinc/02/37/29/934023729.db2.gz VGCUALRZINNDMH-INIZCTEOSA-N 1 2 365.495 3.729 20 30 FHEDLO C=CC[N@H+](Cc1ccc(-c2cccc(F)c2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092361719 934023742 /nfs/dbraw/zinc/02/37/42/934023742.db2.gz VGCUALRZINNDMH-INIZCTEOSA-N 1 2 365.495 3.729 20 30 FHEDLO Cc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C)c[nH+]1 ZINC000535747861 934337175 /nfs/dbraw/zinc/33/71/75/934337175.db2.gz LHFUGQYHSMZPOA-UHFFFAOYSA-N 1 2 357.413 3.823 20 30 FHEDLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001143418340 934475050 /nfs/dbraw/zinc/47/50/50/934475050.db2.gz RBAVKKMHZYIYPJ-MRXNPFEDSA-N 1 2 358.388 3.888 20 30 FHEDLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001143418340 934475053 /nfs/dbraw/zinc/47/50/53/934475053.db2.gz RBAVKKMHZYIYPJ-MRXNPFEDSA-N 1 2 358.388 3.888 20 30 FHEDLO CC[N@H+](CCc1nccs1)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091075113 934486452 /nfs/dbraw/zinc/48/64/52/934486452.db2.gz DJYLTDBTHPASQP-UHFFFAOYSA-N 1 2 351.479 3.574 20 30 FHEDLO CC[N@@H+](CCc1nccs1)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091075113 934486456 /nfs/dbraw/zinc/48/64/56/934486456.db2.gz DJYLTDBTHPASQP-UHFFFAOYSA-N 1 2 351.479 3.574 20 30 FHEDLO COc1ccc(C#N)cc1C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610967036 934663719 /nfs/dbraw/zinc/66/37/19/934663719.db2.gz OTGCCZKXTCROET-VXGBXAGGSA-N 1 2 352.278 3.739 20 30 FHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176269433 934711483 /nfs/dbraw/zinc/71/14/83/934711483.db2.gz SIEZEZJVTRXQQJ-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176269433 934711486 /nfs/dbraw/zinc/71/14/86/934711486.db2.gz SIEZEZJVTRXQQJ-QRWLVFNGSA-N 1 2 372.465 3.554 20 30 FHEDLO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c(F)c1 ZINC000072046978 935244476 /nfs/dbraw/zinc/24/44/76/935244476.db2.gz VKDSJCVOXPTZQU-UHFFFAOYSA-N 1 2 359.832 3.552 20 30 FHEDLO N#Cc1ccccc1-c1ccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000582268443 935469683 /nfs/dbraw/zinc/46/96/83/935469683.db2.gz PFDFEWJKXYPEEO-QHCPKHFHSA-N 1 2 367.452 3.898 20 30 FHEDLO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000582268443 935469685 /nfs/dbraw/zinc/46/96/85/935469685.db2.gz PFDFEWJKXYPEEO-QHCPKHFHSA-N 1 2 367.452 3.898 20 30 FHEDLO C#CC[C@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccccc1 ZINC000277558150 935564790 /nfs/dbraw/zinc/56/47/90/935564790.db2.gz WLYBCZKFNQAZLI-IBGZPJMESA-N 1 2 352.482 3.632 20 30 FHEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC([C@H](F)c3ccccc3F)CC2)cc1 ZINC000511108149 935606039 /nfs/dbraw/zinc/60/60/39/935606039.db2.gz LVDOPEXPHWFAHT-VQTJNVASSA-N 1 2 369.415 3.647 20 30 FHEDLO N#Cc1csc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)n1 ZINC000582455967 935732099 /nfs/dbraw/zinc/73/20/99/935732099.db2.gz USYPAQUVIWXJAU-UHFFFAOYSA-N 1 2 372.457 3.552 20 30 FHEDLO C=CCOc1ccccc1CNC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277658299 935788369 /nfs/dbraw/zinc/78/83/69/935788369.db2.gz NRVBLGMIBDLPQY-UHFFFAOYSA-N 1 2 370.497 3.632 20 30 FHEDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000582664441 935920432 /nfs/dbraw/zinc/92/04/32/935920432.db2.gz BFUVHISTZRKRKU-AWEZNQCLSA-N 1 2 367.449 3.978 20 30 FHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000075915569 936017392 /nfs/dbraw/zinc/01/73/92/936017392.db2.gz ITQVAXNRLDSZSS-INIZCTEOSA-N 1 2 367.880 3.660 20 30 FHEDLO N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1Cn1cc[nH+]c1 ZINC000583520104 938287556 /nfs/dbraw/zinc/28/75/56/938287556.db2.gz CKEBNTOYDKMDQJ-UHFFFAOYSA-N 1 2 357.339 3.829 20 30 FHEDLO CC(C)[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329211268 938288477 /nfs/dbraw/zinc/28/84/77/938288477.db2.gz GXVWKWGHHZLQMT-QWQRMKEZSA-N 1 2 374.485 3.801 20 30 FHEDLO CC(C)[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329211268 938288478 /nfs/dbraw/zinc/28/84/78/938288478.db2.gz GXVWKWGHHZLQMT-QWQRMKEZSA-N 1 2 374.485 3.801 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCc3cc(F)ccc31)C2 ZINC000329296749 938332261 /nfs/dbraw/zinc/33/22/61/938332261.db2.gz SXNNJKRFOFYZEK-DOTOQJQBSA-N 1 2 370.472 3.826 20 30 FHEDLO C=CC[N@@H+](C/C(C)=C/c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000584199275 938638203 /nfs/dbraw/zinc/63/82/03/938638203.db2.gz ZFSMRMKUAFQLAW-IDKBZEPQSA-N 1 2 373.440 3.784 20 30 FHEDLO C=CC[N@H+](C/C(C)=C/c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000584199275 938638205 /nfs/dbraw/zinc/63/82/05/938638205.db2.gz ZFSMRMKUAFQLAW-IDKBZEPQSA-N 1 2 373.440 3.784 20 30 FHEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](C)O2 ZINC000584323501 938686735 /nfs/dbraw/zinc/68/67/35/938686735.db2.gz RSVZRNPTVYNXPT-QWQRMKEZSA-N 1 2 368.399 3.735 20 30 FHEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](C)O2 ZINC000584323501 938686736 /nfs/dbraw/zinc/68/67/36/938686736.db2.gz RSVZRNPTVYNXPT-QWQRMKEZSA-N 1 2 368.399 3.735 20 30 FHEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000080916479 938704066 /nfs/dbraw/zinc/70/40/66/938704066.db2.gz BCJLRPMLDCNBOU-JOCHJYFZSA-N 1 2 370.456 3.664 20 30 FHEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000080916479 938704069 /nfs/dbraw/zinc/70/40/69/938704069.db2.gz BCJLRPMLDCNBOU-JOCHJYFZSA-N 1 2 370.456 3.664 20 30 FHEDLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)cc1C ZINC000053016397 938786643 /nfs/dbraw/zinc/78/66/43/938786643.db2.gz VGTRSGXFMSUEIL-UHFFFAOYSA-N 1 2 363.461 3.657 20 30 FHEDLO N#CCCC[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000458800616 938947019 /nfs/dbraw/zinc/94/70/19/938947019.db2.gz LKZQSGRIJVIROQ-MSOLQXFVSA-N 1 2 351.454 3.734 20 30 FHEDLO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@@](C)(C#N)C4)nc(N)c23)C1 ZINC000612155089 939154558 /nfs/dbraw/zinc/15/45/58/939154558.db2.gz NWPYYOKAUBHLCI-XCLFUZPHSA-N 1 2 369.538 3.566 20 30 FHEDLO C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@@](C)(C#N)C4)nc(N)c23)C1 ZINC000612155089 939154560 /nfs/dbraw/zinc/15/45/60/939154560.db2.gz NWPYYOKAUBHLCI-XCLFUZPHSA-N 1 2 369.538 3.566 20 30 FHEDLO C[C@H](c1cccc(Br)c1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000158922018 939161356 /nfs/dbraw/zinc/16/13/56/939161356.db2.gz VTXKICARHKADOG-CQSZACIVSA-N 1 2 371.282 3.599 20 30 FHEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000612165580 939172545 /nfs/dbraw/zinc/17/25/45/939172545.db2.gz MQKDGMVNQRVILT-RBBKRZOGSA-N 1 2 350.462 3.719 20 30 FHEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000612165580 939172548 /nfs/dbraw/zinc/17/25/48/939172548.db2.gz MQKDGMVNQRVILT-RBBKRZOGSA-N 1 2 350.462 3.719 20 30 FHEDLO O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329916866 939986424 /nfs/dbraw/zinc/98/64/24/939986424.db2.gz QMIWWIACEAWWKX-IMJJTQAJSA-N 1 2 371.403 3.817 20 30 FHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cscc3C#N)CC2)cc1 ZINC000507529595 945306996 /nfs/dbraw/zinc/30/69/96/945306996.db2.gz LGNJXAFMTZWDNL-UHFFFAOYSA-N 1 2 353.491 3.701 20 30 FHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000582089428 940652422 /nfs/dbraw/zinc/65/24/22/940652422.db2.gz FJOGPJYDJIFREK-IBGZPJMESA-N 1 2 372.415 3.993 20 30 FHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000582089428 940652430 /nfs/dbraw/zinc/65/24/30/940652430.db2.gz FJOGPJYDJIFREK-IBGZPJMESA-N 1 2 372.415 3.993 20 30 FHEDLO N#Cc1ccccc1-c1ccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC000582268442 940658464 /nfs/dbraw/zinc/65/84/64/940658464.db2.gz PFDFEWJKXYPEEO-HSZRJFAPSA-N 1 2 367.452 3.898 20 30 FHEDLO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC000582268442 940658466 /nfs/dbraw/zinc/65/84/66/940658466.db2.gz PFDFEWJKXYPEEO-HSZRJFAPSA-N 1 2 367.452 3.898 20 30 FHEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccccc1Cl ZINC000330103608 945357055 /nfs/dbraw/zinc/35/70/55/945357055.db2.gz HAQBKWANZSEXBU-SPYBWZPUSA-N 1 2 366.889 3.627 20 30 FHEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccccc1Cl ZINC000330103608 945357065 /nfs/dbraw/zinc/35/70/65/945357065.db2.gz HAQBKWANZSEXBU-SPYBWZPUSA-N 1 2 366.889 3.627 20 30 FHEDLO CCC[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000330101233 945357630 /nfs/dbraw/zinc/35/76/30/945357630.db2.gz FISMINKDHUPZHY-CUWPLCDZSA-N 1 2 360.498 3.754 20 30 FHEDLO CCC[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000330101233 945357642 /nfs/dbraw/zinc/35/76/42/945357642.db2.gz FISMINKDHUPZHY-CUWPLCDZSA-N 1 2 360.498 3.754 20 30 FHEDLO Cn1cc(CNc2cccc(-n3cc[nH+]c3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180317694 940958481 /nfs/dbraw/zinc/95/84/81/940958481.db2.gz MTSOFJPOSPPRCO-UHFFFAOYSA-N 1 2 354.417 3.757 20 30 FHEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330126429 945366764 /nfs/dbraw/zinc/36/67/64/945366764.db2.gz MJAHYNPQAFJQSY-HBUWYVDXSA-N 1 2 352.862 3.586 20 30 FHEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330126429 945366772 /nfs/dbraw/zinc/36/67/72/945366772.db2.gz MJAHYNPQAFJQSY-HBUWYVDXSA-N 1 2 352.862 3.586 20 30 FHEDLO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000330010974 941289180 /nfs/dbraw/zinc/28/91/80/941289180.db2.gz HLZGCHJQNSVKDY-UONOGXRCSA-N 1 2 354.376 3.707 20 30 FHEDLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)o1 ZINC000376860648 941451783 /nfs/dbraw/zinc/45/17/83/941451783.db2.gz XWNLXQBZSWETIH-LBPRGKRZSA-N 1 2 367.430 3.912 20 30 FHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135601274 941501921 /nfs/dbraw/zinc/50/19/21/941501921.db2.gz XOAHAXQHVCKIGD-KRWDZBQOSA-N 1 2 370.522 3.646 20 30 FHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135601274 941501924 /nfs/dbraw/zinc/50/19/24/941501924.db2.gz XOAHAXQHVCKIGD-KRWDZBQOSA-N 1 2 370.522 3.646 20 30 FHEDLO C[C@@H](c1cccc(NC(=O)/C=C/c2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000729408451 941747797 /nfs/dbraw/zinc/74/77/97/941747797.db2.gz HQWOIWWVAJWHTD-FVNWOWOISA-N 1 2 361.445 3.603 20 30 FHEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)s1 ZINC000513386686 941884639 /nfs/dbraw/zinc/88/46/39/941884639.db2.gz OSRYLEWXERIEFP-UHFFFAOYSA-N 1 2 373.909 3.794 20 30 FHEDLO N#CCCC[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000458807578 941952121 /nfs/dbraw/zinc/95/21/21/941952121.db2.gz XQBPLXGEMRQFLV-PMACEKPBSA-N 1 2 364.449 3.679 20 30 FHEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378084721 942259109 /nfs/dbraw/zinc/25/91/09/942259109.db2.gz MRRFNXAIGBPOLO-UHFFFAOYSA-N 1 2 356.429 3.968 20 30 FHEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378084721 942259113 /nfs/dbraw/zinc/25/91/13/942259113.db2.gz MRRFNXAIGBPOLO-UHFFFAOYSA-N 1 2 356.429 3.968 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1Cl ZINC000420943961 942268552 /nfs/dbraw/zinc/26/85/52/942268552.db2.gz IWCKRGYYPZPVGH-LLVKDONJSA-N 1 2 359.779 3.815 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1Cl ZINC000420943961 942268557 /nfs/dbraw/zinc/26/85/57/942268557.db2.gz IWCKRGYYPZPVGH-LLVKDONJSA-N 1 2 359.779 3.815 20 30 FHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000420956971 942274933 /nfs/dbraw/zinc/27/49/33/942274933.db2.gz BFAQDUALHGMGGE-CQSZACIVSA-N 1 2 362.296 3.984 20 30 FHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000420956971 942274939 /nfs/dbraw/zinc/27/49/39/942274939.db2.gz BFAQDUALHGMGGE-CQSZACIVSA-N 1 2 362.296 3.984 20 30 FHEDLO C=CCN(CC=C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501038670 942279522 /nfs/dbraw/zinc/27/95/22/942279522.db2.gz XTPGVSWPQNLMIL-QGZVFWFLSA-N 1 2 365.880 4.000 20 30 FHEDLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccc(C#N)cc2OC)cc1 ZINC000501235420 942363342 /nfs/dbraw/zinc/36/33/42/942363342.db2.gz DGGOWUUHANOFSO-INIZCTEOSA-N 1 2 365.477 3.568 20 30 FHEDLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccc(C#N)cc2OC)cc1 ZINC000501235420 942363346 /nfs/dbraw/zinc/36/33/46/942363346.db2.gz DGGOWUUHANOFSO-INIZCTEOSA-N 1 2 365.477 3.568 20 30 FHEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)sc1C ZINC000502541885 942520080 /nfs/dbraw/zinc/52/00/80/942520080.db2.gz VASWRJQTROBCIE-CQSZACIVSA-N 1 2 366.490 3.748 20 30 FHEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)sc1C ZINC000502541885 942520086 /nfs/dbraw/zinc/52/00/86/942520086.db2.gz VASWRJQTROBCIE-CQSZACIVSA-N 1 2 366.490 3.748 20 30 FHEDLO CO[C@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(Cl)cc1 ZINC000514107867 942750346 /nfs/dbraw/zinc/75/03/46/942750346.db2.gz RFMLXWREFDBDQU-UXHICEINSA-N 1 2 356.853 3.973 20 30 FHEDLO CO[C@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(Cl)cc1 ZINC000514107867 942750349 /nfs/dbraw/zinc/75/03/49/942750349.db2.gz RFMLXWREFDBDQU-UXHICEINSA-N 1 2 356.853 3.973 20 30 FHEDLO C[C@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000378451601 942785441 /nfs/dbraw/zinc/78/54/41/942785441.db2.gz KGGSWPIZWYAKSA-BTYIYWSLSA-N 1 2 364.424 3.902 20 30 FHEDLO C[C@@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000378451602 942785500 /nfs/dbraw/zinc/78/55/00/942785500.db2.gz KGGSWPIZWYAKSA-QVKFZJNVSA-N 1 2 364.424 3.902 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C2 ZINC000425113652 942806917 /nfs/dbraw/zinc/80/69/17/942806917.db2.gz RESDDBHDNZQBJL-PBHICJAKSA-N 1 2 350.466 3.729 20 30 FHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC2 ZINC000425113652 942806925 /nfs/dbraw/zinc/80/69/25/942806925.db2.gz RESDDBHDNZQBJL-PBHICJAKSA-N 1 2 350.466 3.729 20 30 FHEDLO N#CC1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCCC1 ZINC000041941824 942899983 /nfs/dbraw/zinc/89/99/83/942899983.db2.gz BJRWQCKYODFVBY-MRXNPFEDSA-N 1 2 363.864 3.816 20 30 FHEDLO C=CCOc1ccccc1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430096620 942910186 /nfs/dbraw/zinc/91/01/86/942910186.db2.gz FSFIYGOLQZSZBB-UHFFFAOYSA-N 1 2 354.425 3.654 20 30 FHEDLO C=CCOc1ccccc1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430096620 942910196 /nfs/dbraw/zinc/91/01/96/942910196.db2.gz FSFIYGOLQZSZBB-UHFFFAOYSA-N 1 2 354.425 3.654 20 30 FHEDLO C=C1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000503039066 942934157 /nfs/dbraw/zinc/93/41/57/942934157.db2.gz CQIYQWYJSQBPEJ-QGZVFWFLSA-N 1 2 363.299 3.765 20 30 FHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3csc4cncn43)n2)CC1 ZINC000329726233 942948581 /nfs/dbraw/zinc/94/85/81/942948581.db2.gz DSVXESXGXOUXNE-UHFFFAOYSA-N 1 2 361.496 3.721 20 30 FHEDLO C=CC[C@@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503465986 943202377 /nfs/dbraw/zinc/20/23/77/943202377.db2.gz MAVRXTSBCPZKEX-CZUORRHYSA-N 1 2 351.288 3.667 20 30 FHEDLO N#C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Cl ZINC000505659273 943329926 /nfs/dbraw/zinc/32/99/26/943329926.db2.gz IVOGEEPSQWGQQB-GOSISDBHSA-N 1 2 350.809 3.579 20 30 FHEDLO C=CCn1cc(C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)nn1 ZINC000424295566 943824014 /nfs/dbraw/zinc/82/40/14/943824014.db2.gz NAIRBBHKZNWJIP-AWEZNQCLSA-N 1 2 353.495 3.671 20 30 FHEDLO COc1cccc(C2=CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c1 ZINC000437605510 943963257 /nfs/dbraw/zinc/96/32/57/943963257.db2.gz SMZRAHZSKMUDLJ-UHFFFAOYSA-N 1 2 372.428 3.906 20 30 FHEDLO COc1cccc(C2=CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c1 ZINC000437605510 943963263 /nfs/dbraw/zinc/96/32/63/943963263.db2.gz SMZRAHZSKMUDLJ-UHFFFAOYSA-N 1 2 372.428 3.906 20 30 FHEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)cc1 ZINC000500158806 944183272 /nfs/dbraw/zinc/18/32/72/944183272.db2.gz JLOPEEISTHZLTL-GOSISDBHSA-N 1 2 371.843 3.699 20 30 FHEDLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000418140776 944203416 /nfs/dbraw/zinc/20/34/16/944203416.db2.gz FUHDEULHLLHTQU-SFHVURJKSA-N 1 2 354.479 3.555 20 30 FHEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000438097786 944334285 /nfs/dbraw/zinc/33/42/85/944334285.db2.gz MYJAKFDYHARGRA-NRFANRHFSA-N 1 2 364.424 3.661 20 30 FHEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000438097786 944334294 /nfs/dbraw/zinc/33/42/94/944334294.db2.gz MYJAKFDYHARGRA-NRFANRHFSA-N 1 2 364.424 3.661 20 30 FHEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1cccs1 ZINC000015028297 944337450 /nfs/dbraw/zinc/33/74/50/944337450.db2.gz PIZVDESAMHOUQV-UHFFFAOYSA-N 1 2 357.479 3.701 20 30 FHEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1cccs1 ZINC000015028297 944337458 /nfs/dbraw/zinc/33/74/58/944337458.db2.gz PIZVDESAMHOUQV-UHFFFAOYSA-N 1 2 357.479 3.701 20 30 FHEDLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000549998555 944370199 /nfs/dbraw/zinc/37/01/99/944370199.db2.gz HFPJSSCPVGRMLB-CJNGLKHVSA-N 1 2 354.281 3.624 20 30 FHEDLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000549998555 944370206 /nfs/dbraw/zinc/37/02/06/944370206.db2.gz HFPJSSCPVGRMLB-CJNGLKHVSA-N 1 2 354.281 3.624 20 30 FHEDLO COc1ccc(-n2ccn(C[N@H+](C)Cc3cccc(C#N)c3)c2=S)cc1 ZINC000025478130 944380987 /nfs/dbraw/zinc/38/09/87/944380987.db2.gz IMMCDNMDMLRDQN-UHFFFAOYSA-N 1 2 364.474 3.978 20 30 FHEDLO COc1ccc(-n2ccn(C[N@@H+](C)Cc3cccc(C#N)c3)c2=S)cc1 ZINC000025478130 944380992 /nfs/dbraw/zinc/38/09/92/944380992.db2.gz IMMCDNMDMLRDQN-UHFFFAOYSA-N 1 2 364.474 3.978 20 30 FHEDLO C=CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000111727723 944412891 /nfs/dbraw/zinc/41/28/91/944412891.db2.gz SAHZLZMURRVCJE-IRXDYDNUSA-N 1 2 357.498 3.726 20 30 FHEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000438233400 944436956 /nfs/dbraw/zinc/43/69/56/944436956.db2.gz ICEURQLQZBQYCG-UHFFFAOYSA-N 1 2 373.435 3.951 20 30 FHEDLO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OC)c(O)c1Br ZINC000546198713 944575881 /nfs/dbraw/zinc/57/58/81/944575881.db2.gz WFDSVSVUVQNLGI-UHFFFAOYSA-N 1 2 366.255 3.987 20 30 FHEDLO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)c(O)c1Br ZINC000546198713 944575886 /nfs/dbraw/zinc/57/58/86/944575886.db2.gz WFDSVSVUVQNLGI-UHFFFAOYSA-N 1 2 366.255 3.987 20 30 FHEDLO CCCCCCCC(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001270134722 944709852 /nfs/dbraw/zinc/70/98/52/944709852.db2.gz RNHFFEVULWPWQJ-IYBDPMFKSA-N 1 2 364.452 3.601 20 30 FHEDLO CCCCCCCC(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001270134722 944709856 /nfs/dbraw/zinc/70/98/56/944709856.db2.gz RNHFFEVULWPWQJ-IYBDPMFKSA-N 1 2 364.452 3.601 20 30 FHEDLO CN(CC(C)(C)C#N)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425680969 944910412 /nfs/dbraw/zinc/91/04/12/944910412.db2.gz JCKWWBZAAHXWJS-UHFFFAOYSA-N 1 2 351.454 3.900 20 30 FHEDLO Cc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1-c1ncco1 ZINC000330144832 945374955 /nfs/dbraw/zinc/37/49/55/945374955.db2.gz ZVCWGNQUWOTCBV-UHFFFAOYSA-N 1 2 351.410 3.798 20 30 FHEDLO Cc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1-c1ncco1 ZINC000330144832 945374968 /nfs/dbraw/zinc/37/49/68/945374968.db2.gz ZVCWGNQUWOTCBV-UHFFFAOYSA-N 1 2 351.410 3.798 20 30 FHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000330250680 945425315 /nfs/dbraw/zinc/42/53/15/945425315.db2.gz HHQOOHJDTLXBCG-VQIMIIECSA-N 1 2 350.466 3.654 20 30 FHEDLO CC[C@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCCO1 ZINC000330250229 945425334 /nfs/dbraw/zinc/42/53/34/945425334.db2.gz MWSWBKKXVZPQHB-OALUTQOASA-N 1 2 368.481 3.979 20 30 FHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000330268239 945435289 /nfs/dbraw/zinc/43/52/89/945435289.db2.gz INPBLANQLUCIQM-APWZRJJASA-N 1 2 363.465 3.820 20 30 FHEDLO C[C@H](CCC1CCCCC1)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330319982 945544284 /nfs/dbraw/zinc/54/42/84/945544284.db2.gz DSYOUVOQXTXWSB-SZVBFZGTSA-N 1 2 362.518 3.893 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CCO1 ZINC000330333610 945601557 /nfs/dbraw/zinc/60/15/57/945601557.db2.gz PXIGPFAIYXOHCK-NTPMHYTDSA-N 1 2 365.477 3.891 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[C@H]2CCOc3ccccc32)CCO1 ZINC000330336632 945605902 /nfs/dbraw/zinc/60/59/02/945605902.db2.gz SORKTGCRORMZSZ-CLCXKQKWSA-N 1 2 355.438 3.553 20 30 FHEDLO CCC[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC000330340750 945630742 /nfs/dbraw/zinc/63/07/42/945630742.db2.gz YJFQRFZFSHDXDG-ZIFCJYIRSA-N 1 2 362.518 3.893 20 30 FHEDLO N#CCC[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000519813403 945778296 /nfs/dbraw/zinc/77/82/96/945778296.db2.gz AURWWSCMXOLKAD-NRFANRHFSA-N 1 2 358.445 3.635 20 30 FHEDLO Cc1cc(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661151026 945783903 /nfs/dbraw/zinc/78/39/03/945783903.db2.gz XCAXJBJOCDYYRK-ZWKOTPCHSA-N 1 2 353.466 3.943 20 30 FHEDLO Cc1cc(C(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661151026 945783907 /nfs/dbraw/zinc/78/39/07/945783907.db2.gz XCAXJBJOCDYYRK-ZWKOTPCHSA-N 1 2 353.466 3.943 20 30 FHEDLO CC1(C)CN(CC#CC[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)[C@@H]1c1cccnc1 ZINC000664825021 945883706 /nfs/dbraw/zinc/88/37/06/945883706.db2.gz ZNYUMDJZACLYTN-FGZHOGPDSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)CN(CC#CC[N@H+]2CC(C)(C)[C@H]2c2cccnc2)[C@@H]1c1cccnc1 ZINC000664825021 945883715 /nfs/dbraw/zinc/88/37/15/945883715.db2.gz ZNYUMDJZACLYTN-FGZHOGPDSA-N 1 2 374.532 3.946 20 30 FHEDLO C[C@H]1SCC[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000303664476 945942107 /nfs/dbraw/zinc/94/21/07/945942107.db2.gz DXYACSNXXGTMHR-FOIQADDNSA-N 1 2 351.475 3.675 20 30 FHEDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000303664476 945942118 /nfs/dbraw/zinc/94/21/18/945942118.db2.gz DXYACSNXXGTMHR-FOIQADDNSA-N 1 2 351.475 3.675 20 30 FHEDLO N#CCCCn1cc(C(=O)NCCCNc2cccc[nH+]2)c2ccccc21 ZINC000444246736 946119572 /nfs/dbraw/zinc/11/95/72/946119572.db2.gz LZQNKVOHVCMNAX-UHFFFAOYSA-N 1 2 361.449 3.572 20 30 FHEDLO CCCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000441065258 946161397 /nfs/dbraw/zinc/16/13/97/946161397.db2.gz QRJSGOQCUDUGCH-KRWDZBQOSA-N 1 2 369.509 3.565 20 30 FHEDLO CCCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000441065258 946161403 /nfs/dbraw/zinc/16/14/03/946161403.db2.gz QRJSGOQCUDUGCH-KRWDZBQOSA-N 1 2 369.509 3.565 20 30 FHEDLO C=C(C)[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302396199 946216907 /nfs/dbraw/zinc/21/69/07/946216907.db2.gz KEHNZTFIBUEDKK-XOBRGWDASA-N 1 2 374.435 3.693 20 30 FHEDLO C=C(C)[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302396199 946216915 /nfs/dbraw/zinc/21/69/15/946216915.db2.gz KEHNZTFIBUEDKK-XOBRGWDASA-N 1 2 374.435 3.693 20 30 FHEDLO Cc1cccn2cc(Cc3noc([C@@H](C)Oc4ccccc4C#N)n3)[nH+]c12 ZINC000545685407 946408005 /nfs/dbraw/zinc/40/80/05/946408005.db2.gz SWIFLSKYOBXIMR-CQSZACIVSA-N 1 2 359.389 3.628 20 30 FHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000186192126 946589920 /nfs/dbraw/zinc/58/99/20/946589920.db2.gz VKSBSNVWBKWFQA-UHFFFAOYSA-N 1 2 371.843 3.617 20 30 FHEDLO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](CC(F)(F)F)O1 ZINC000597242018 946736250 /nfs/dbraw/zinc/73/62/50/946736250.db2.gz ITMGCKNXYSTIFW-PBHICJAKSA-N 1 2 356.388 3.911 20 30 FHEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H](CC(F)(F)F)O1 ZINC000597242018 946736257 /nfs/dbraw/zinc/73/62/57/946736257.db2.gz ITMGCKNXYSTIFW-PBHICJAKSA-N 1 2 356.388 3.911 20 30 FHEDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475343252 946913706 /nfs/dbraw/zinc/91/37/06/946913706.db2.gz ONOACMPXLCDOLI-GOSISDBHSA-N 1 2 371.916 3.743 20 30 FHEDLO O=C(Nc1cccc2c1CCO2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328656323 946967010 /nfs/dbraw/zinc/96/70/10/946967010.db2.gz NQMCVMRMPMICHY-HNNXBMFYSA-N 1 2 366.465 3.579 20 30 FHEDLO CC(C)(C)n1cc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000328655854 946967043 /nfs/dbraw/zinc/96/70/43/946967043.db2.gz NEJKRDZSZJMDRU-OAHLLOKOSA-N 1 2 370.501 3.596 20 30 FHEDLO COc1cccc(C)c1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328660371 946969268 /nfs/dbraw/zinc/96/92/68/946969268.db2.gz VGOITHCPRFFVBL-INIZCTEOSA-N 1 2 368.481 3.962 20 30 FHEDLO COc1cccc(F)c1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328665315 946972013 /nfs/dbraw/zinc/97/20/13/946972013.db2.gz ZCWVVKISUCDJNZ-CQSZACIVSA-N 1 2 372.444 3.792 20 30 FHEDLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCNC(=O)C1 ZINC000328707485 946998958 /nfs/dbraw/zinc/99/89/58/946998958.db2.gz ZMOLMDBAZCQCIH-WFASDCNBSA-N 1 2 367.852 3.939 20 30 FHEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3coc(C4CCCC4)n3)c2)CC1 ZINC000328821257 947038419 /nfs/dbraw/zinc/03/84/19/947038419.db2.gz RBSMCTRYJRMCBD-UHFFFAOYSA-N 1 2 368.481 3.716 20 30 FHEDLO C[C@H](NC(=O)N1CC[C@@H](C2CCOCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000328851462 947065815 /nfs/dbraw/zinc/06/58/15/947065815.db2.gz SAITYEHTMWPUJF-QFBILLFUSA-N 1 2 368.481 3.596 20 30 FHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CCCCC1 ZINC000328895843 947085206 /nfs/dbraw/zinc/08/52/06/947085206.db2.gz WNAQMHZUEZUJKS-QGZVFWFLSA-N 1 2 369.465 3.778 20 30 FHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CCCCC1 ZINC000328895843 947085217 /nfs/dbraw/zinc/08/52/17/947085217.db2.gz WNAQMHZUEZUJKS-QGZVFWFLSA-N 1 2 369.465 3.778 20 30 FHEDLO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000328918409 947107584 /nfs/dbraw/zinc/10/75/84/947107584.db2.gz BFPIRDLUYRHPCG-NSHGMRRFSA-N 1 2 353.466 3.878 20 30 FHEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000328966761 947127355 /nfs/dbraw/zinc/12/73/55/947127355.db2.gz NBYSZALIPPXNAW-CEWLAPEOSA-N 1 2 368.477 3.944 20 30 FHEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000328966761 947127362 /nfs/dbraw/zinc/12/73/62/947127362.db2.gz NBYSZALIPPXNAW-CEWLAPEOSA-N 1 2 368.477 3.944 20 30 FHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)COC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000328968678 947128136 /nfs/dbraw/zinc/12/81/36/947128136.db2.gz NWBMUMHOWPOXJD-HKUYNNGSSA-N 1 2 366.889 3.627 20 30 FHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)COC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000328968678 947128141 /nfs/dbraw/zinc/12/81/41/947128141.db2.gz NWBMUMHOWPOXJD-HKUYNNGSSA-N 1 2 366.889 3.627 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711423 947139865 /nfs/dbraw/zinc/13/98/65/947139865.db2.gz XGJUQFLNMNVPCH-NSHDSACASA-N 1 2 363.795 3.949 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444711423 947139856 /nfs/dbraw/zinc/13/98/56/947139856.db2.gz XGJUQFLNMNVPCH-NSHDSACASA-N 1 2 363.795 3.949 20 30 FHEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000444773361 947210303 /nfs/dbraw/zinc/21/03/03/947210303.db2.gz REQISQJUJHCSMK-UHFFFAOYSA-N 1 2 371.868 3.551 20 30 FHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184397984 947245267 /nfs/dbraw/zinc/24/52/67/947245267.db2.gz NVEQYHQJZOBVNC-STQMWFEESA-N 1 2 360.508 3.827 20 30 FHEDLO C[C@H](NC(=O)Nc1cc(Cl)c(Cl)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000331292080 947389900 /nfs/dbraw/zinc/38/99/00/947389900.db2.gz KUTLVPOEQAMDHV-UWVGGRQHSA-N 1 2 364.248 3.568 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc2c1OCCO2 ZINC000093872236 947427232 /nfs/dbraw/zinc/42/72/32/947427232.db2.gz VZRJLNMEZDJGOO-OALUTQOASA-N 1 2 364.445 3.738 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc2c1OCCO2 ZINC000093872236 947427238 /nfs/dbraw/zinc/42/72/38/947427238.db2.gz VZRJLNMEZDJGOO-OALUTQOASA-N 1 2 364.445 3.738 20 30 FHEDLO C[C@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000021387704 947528260 /nfs/dbraw/zinc/52/82/60/947528260.db2.gz VTKLBWUZTGRVIE-JTQLQIEISA-N 1 2 352.221 3.658 20 30 FHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cncc(C#N)c2)C2(CCCCC2)C1 ZINC001167798836 947776407 /nfs/dbraw/zinc/77/64/07/947776407.db2.gz QXDAAXAYGFIUAJ-UHFFFAOYSA-N 1 2 370.497 3.709 20 30 FHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cncc(C#N)c2)C2(CCCCC2)C1 ZINC001167798836 947776413 /nfs/dbraw/zinc/77/64/13/947776413.db2.gz QXDAAXAYGFIUAJ-UHFFFAOYSA-N 1 2 370.497 3.709 20 30 FHEDLO C=CCn1c(COc2ccccc2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000162930813 947884896 /nfs/dbraw/zinc/88/48/96/947884896.db2.gz UKIKXIPOOKHWGM-MRXNPFEDSA-N 1 2 358.511 3.868 20 30 FHEDLO C=CCn1c(COc2ccccc2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000162930813 947884901 /nfs/dbraw/zinc/88/49/01/947884901.db2.gz UKIKXIPOOKHWGM-MRXNPFEDSA-N 1 2 358.511 3.868 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1Cl ZINC000895071864 948046464 /nfs/dbraw/zinc/04/64/64/948046464.db2.gz VEIXOOQZTDMOEO-UHFFFAOYSA-N 1 2 373.884 3.692 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)cc1Cl ZINC000895071864 948046470 /nfs/dbraw/zinc/04/64/70/948046470.db2.gz VEIXOOQZTDMOEO-UHFFFAOYSA-N 1 2 373.884 3.692 20 30 FHEDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000507767129 948094656 /nfs/dbraw/zinc/09/46/56/948094656.db2.gz ASGUNSOKHVGKHA-UHFFFAOYSA-N 1 2 363.461 3.657 20 30 FHEDLO Cc1cc(N2CCN([C@H](C#N)c3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000585718076 948233229 /nfs/dbraw/zinc/23/32/29/948233229.db2.gz BTCPHKORBRMQFC-GOSISDBHSA-N 1 2 369.900 3.949 20 30 FHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000278998517 948382601 /nfs/dbraw/zinc/38/26/01/948382601.db2.gz SWFNICVNMDLLJA-HNNXBMFYSA-N 1 2 363.870 3.531 20 30 FHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000278998517 948382604 /nfs/dbraw/zinc/38/26/04/948382604.db2.gz SWFNICVNMDLLJA-HNNXBMFYSA-N 1 2 363.870 3.531 20 30 FHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459130501 948639347 /nfs/dbraw/zinc/63/93/47/948639347.db2.gz VOEXOEJIXKRQDZ-UHFFFAOYSA-N 1 2 354.410 3.504 20 30 FHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000525787625 948732662 /nfs/dbraw/zinc/73/26/62/948732662.db2.gz FUZDBYIRSCLHMS-KRWDZBQOSA-N 1 2 374.400 3.674 20 30 FHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000525787625 948732665 /nfs/dbraw/zinc/73/26/65/948732665.db2.gz FUZDBYIRSCLHMS-KRWDZBQOSA-N 1 2 374.400 3.674 20 30 FHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602884027 568005035 /nfs/dbraw/zinc/00/50/35/568005035.db2.gz ZGSVYTFUDJTXJI-RHSMWYFYSA-N 1 2 369.494 3.580 20 30 FHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602884027 568005036 /nfs/dbraw/zinc/00/50/36/568005036.db2.gz ZGSVYTFUDJTXJI-RHSMWYFYSA-N 1 2 369.494 3.580 20 30 FHEDLO CN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[C@@H]1C#N ZINC000602916600 568012224 /nfs/dbraw/zinc/01/22/24/568012224.db2.gz NZJNXABBHRVVJC-BEFAXECRSA-N 1 2 361.449 3.758 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CCF)CC1 ZINC000602946673 568017005 /nfs/dbraw/zinc/01/70/05/568017005.db2.gz BMNLLTAVWKLBCT-OAHLLOKOSA-N 1 2 363.502 3.948 20 30 FHEDLO CCOC(=O)c1c(C)onc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000568449402 568039238 /nfs/dbraw/zinc/03/92/38/568039238.db2.gz CPYUFZAUAQKVMD-UHFFFAOYSA-N 1 2 355.438 3.690 20 30 FHEDLO CCOC(=O)c1c(C)onc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000568449402 568039240 /nfs/dbraw/zinc/03/92/40/568039240.db2.gz CPYUFZAUAQKVMD-UHFFFAOYSA-N 1 2 355.438 3.690 20 30 FHEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000481600514 568064329 /nfs/dbraw/zinc/06/43/29/568064329.db2.gz AGRCKMUKMJPRNY-LSTHTHJFSA-N 1 2 352.409 3.837 20 30 FHEDLO N#CC1(Cc2cn(Cc3c[nH+]cn3Cc3ccccc3)nn2)CCCCC1 ZINC000603217654 568076848 /nfs/dbraw/zinc/07/68/48/568076848.db2.gz LXPRMEUPDWFGJO-UHFFFAOYSA-N 1 2 360.465 3.588 20 30 FHEDLO CN(C(=O)NCC(C)(C)CCC#N)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603434658 568100523 /nfs/dbraw/zinc/10/05/23/568100523.db2.gz FVKADGWEZQVKER-MRXNPFEDSA-N 1 2 357.433 3.610 20 30 FHEDLO N#Cc1cnn2cc(C[N@H+]3CCSC[C@@H]3c3ccc(Cl)cc3)cnc12 ZINC000569928290 568437645 /nfs/dbraw/zinc/43/76/45/568437645.db2.gz BXAOHBSJKCDEKI-QGZVFWFLSA-N 1 2 369.881 3.544 20 30 FHEDLO N#Cc1cnn2cc(C[N@@H+]3CCSC[C@@H]3c3ccc(Cl)cc3)cnc12 ZINC000569928290 568437647 /nfs/dbraw/zinc/43/76/47/568437647.db2.gz BXAOHBSJKCDEKI-QGZVFWFLSA-N 1 2 369.881 3.544 20 30 FHEDLO Cc1cn2cc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc2[nH+]1 ZINC000531456858 568516478 /nfs/dbraw/zinc/51/64/78/568516478.db2.gz UIZSDWFEVNMZSZ-MOPGFXCFSA-N 1 2 359.433 3.946 20 30 FHEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000049636173 568545197 /nfs/dbraw/zinc/54/51/97/568545197.db2.gz HRJPLJCQAVKRCD-UHFFFAOYSA-N 1 2 366.424 3.778 20 30 FHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823909576 608383760 /nfs/dbraw/zinc/38/37/60/608383760.db2.gz JSZINVNXMVUQRN-UHFFFAOYSA-N 1 2 363.849 3.909 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823909576 608383762 /nfs/dbraw/zinc/38/37/62/608383762.db2.gz JSZINVNXMVUQRN-UHFFFAOYSA-N 1 2 363.849 3.909 20 30 FHEDLO Cn1c(C[NH2+]C2(c3cccc(C#N)c3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000274520412 927073241 /nfs/dbraw/zinc/07/32/41/927073241.db2.gz XZNKZSODEYKFMY-UHFFFAOYSA-N 1 2 363.852 3.786 20 30 FHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)nc1 ZINC000430153269 927368676 /nfs/dbraw/zinc/36/86/76/927368676.db2.gz GAGIEUSNMXHYTO-HNNXBMFYSA-N 1 2 365.330 3.764 20 30 FHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)nc1 ZINC000430153269 927368691 /nfs/dbraw/zinc/36/86/91/927368691.db2.gz GAGIEUSNMXHYTO-HNNXBMFYSA-N 1 2 365.330 3.764 20 30 FHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000471179621 928621802 /nfs/dbraw/zinc/62/18/02/928621802.db2.gz VBLCQLNOWMBFCY-NRFANRHFSA-N 1 2 363.461 3.779 20 30 FHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000471179621 928621806 /nfs/dbraw/zinc/62/18/06/928621806.db2.gz VBLCQLNOWMBFCY-NRFANRHFSA-N 1 2 363.461 3.779 20 30 FHEDLO C=CCN(CC[N@H+](C)Cc1ccccc1Br)C(=O)OCC ZINC001209017781 929070956 /nfs/dbraw/zinc/07/09/56/929070956.db2.gz XFBIQBUHWJNINI-UHFFFAOYSA-N 1 2 355.276 3.525 20 30 FHEDLO C=CCN(CC[N@@H+](C)Cc1ccccc1Br)C(=O)OCC ZINC001209017781 929070967 /nfs/dbraw/zinc/07/09/67/929070967.db2.gz XFBIQBUHWJNINI-UHFFFAOYSA-N 1 2 355.276 3.525 20 30 FHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000134670020 929126368 /nfs/dbraw/zinc/12/63/68/929126368.db2.gz LSUGZEDDWJWMQF-MRXNPFEDSA-N 1 2 363.461 3.731 20 30 FHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000134670020 929126371 /nfs/dbraw/zinc/12/63/71/929126371.db2.gz LSUGZEDDWJWMQF-MRXNPFEDSA-N 1 2 363.461 3.731 20 30 FHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000583291730 937323352 /nfs/dbraw/zinc/32/33/52/937323352.db2.gz CMZXFFMEOYMZGH-CQSZACIVSA-N 1 2 365.662 3.618 20 30 FHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000583291730 937323355 /nfs/dbraw/zinc/32/33/55/937323355.db2.gz CMZXFFMEOYMZGH-CQSZACIVSA-N 1 2 365.662 3.618 20 30 FHEDLO C=CCn1c(=O)c2ccc(Cl)cc2nc1SCCCn1cc[nH+]c1 ZINC000180426729 929507850 /nfs/dbraw/zinc/50/78/50/929507850.db2.gz WLECJYLJXXEWCP-UHFFFAOYSA-N 1 2 360.870 3.615 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000610244843 929546189 /nfs/dbraw/zinc/54/61/89/929546189.db2.gz XWFROMHQYGGGAM-PTSWNOGYSA-N 1 2 370.522 3.876 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000610244843 929546197 /nfs/dbraw/zinc/54/61/97/929546197.db2.gz XWFROMHQYGGGAM-PTSWNOGYSA-N 1 2 370.522 3.876 20 30 FHEDLO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)cc1F ZINC000610337088 930020468 /nfs/dbraw/zinc/02/04/68/930020468.db2.gz BADCOMOIYPXXFB-UHFFFAOYSA-N 1 2 359.832 3.682 20 30 FHEDLO Cc1cccc(CCCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)[nH+]1 ZINC000580359340 930567534 /nfs/dbraw/zinc/56/75/34/930567534.db2.gz VLLKORMRSARFDB-UHFFFAOYSA-N 1 2 356.351 3.694 20 30 FHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000580559929 930855988 /nfs/dbraw/zinc/85/59/88/930855988.db2.gz GVJGNXKXAUHZCZ-ZDUSSCGKSA-N 1 2 358.442 3.670 20 30 FHEDLO N#CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C1CCCC1 ZINC000156735331 931399160 /nfs/dbraw/zinc/39/91/60/931399160.db2.gz UDOWEXCPGCTELT-UHFFFAOYSA-N 1 2 368.250 3.685 20 30 FHEDLO N#CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C1CCCC1 ZINC000156735331 931399163 /nfs/dbraw/zinc/39/91/63/931399163.db2.gz UDOWEXCPGCTELT-UHFFFAOYSA-N 1 2 368.250 3.685 20 30 FHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000156972581 931752755 /nfs/dbraw/zinc/75/27/55/931752755.db2.gz WHGVKFRDKDMPNI-RTWAWAEBSA-N 1 2 363.461 3.675 20 30 FHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000156972581 931752760 /nfs/dbraw/zinc/75/27/60/931752760.db2.gz WHGVKFRDKDMPNI-RTWAWAEBSA-N 1 2 363.461 3.675 20 30 FHEDLO C=CC[S@@](=O)(=NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000891382569 931981899 /nfs/dbraw/zinc/98/18/99/931981899.db2.gz PDMHKEKEYWBZPY-PWECECGKSA-N 1 2 371.384 3.616 20 30 FHEDLO C=CC[N@@H+](C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000121325251 931993632 /nfs/dbraw/zinc/99/36/32/931993632.db2.gz CHRVMVLEPCIQPM-UHFFFAOYSA-N 1 2 354.191 3.564 20 30 FHEDLO C=CC[N@H+](C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000121325251 931993636 /nfs/dbraw/zinc/99/36/36/931993636.db2.gz CHRVMVLEPCIQPM-UHFFFAOYSA-N 1 2 354.191 3.564 20 30 FHEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(Br)ccc1Br ZINC000581701318 932523638 /nfs/dbraw/zinc/52/36/38/932523638.db2.gz XOPWPGFBVLWEMW-JTQLQIEISA-N 1 2 371.076 3.745 20 30 FHEDLO CC(=O)Nc1cc(Br)ccc1C[N@@H+](CCC#N)CC(C)C ZINC000891464558 932614303 /nfs/dbraw/zinc/61/43/03/932614303.db2.gz GJMLZWMHYPEIDG-UHFFFAOYSA-N 1 2 352.276 3.779 20 30 FHEDLO CC(=O)Nc1cc(Br)ccc1C[N@H+](CCC#N)CC(C)C ZINC000891464558 932614306 /nfs/dbraw/zinc/61/43/06/932614306.db2.gz GJMLZWMHYPEIDG-UHFFFAOYSA-N 1 2 352.276 3.779 20 30 FHEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000157676907 933007676 /nfs/dbraw/zinc/00/76/76/933007676.db2.gz PPLCRWWYJKOILP-UHFFFAOYSA-N 1 2 354.281 3.691 20 30 FHEDLO Cc1ccc2nc(NC(=O)C[N@H+]3CCC[C@H](c4ccnn4C)C3)sc2c1 ZINC000328907170 933153578 /nfs/dbraw/zinc/15/35/78/933153578.db2.gz LIACLSHWFCZBRI-AWEZNQCLSA-N 1 2 369.494 3.806 20 30 FHEDLO Cc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@H](c4ccnn4C)C3)sc2c1 ZINC000328907170 933153579 /nfs/dbraw/zinc/15/35/79/933153579.db2.gz LIACLSHWFCZBRI-AWEZNQCLSA-N 1 2 369.494 3.806 20 30 FHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000610675046 933738017 /nfs/dbraw/zinc/73/80/17/933738017.db2.gz SKFGJMLGDPOYPV-SUMWQHHRSA-N 1 2 353.919 3.832 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000610675046 933738020 /nfs/dbraw/zinc/73/80/20/933738020.db2.gz SKFGJMLGDPOYPV-SUMWQHHRSA-N 1 2 353.919 3.832 20 30 FHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091703377 933877129 /nfs/dbraw/zinc/87/71/29/933877129.db2.gz OMWJLBMCBOJYQX-HOTGVXAUSA-N 1 2 368.506 3.965 20 30 FHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091703377 933877135 /nfs/dbraw/zinc/87/71/35/933877135.db2.gz OMWJLBMCBOJYQX-HOTGVXAUSA-N 1 2 368.506 3.965 20 30 FHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000588469935 934345499 /nfs/dbraw/zinc/34/54/99/934345499.db2.gz WZYWIWRNXRALAD-MWWKQMNYSA-N 1 2 351.475 3.538 20 30 FHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000588469936 934346277 /nfs/dbraw/zinc/34/62/77/934346277.db2.gz WZYWIWRNXRALAD-WLMCBFPDSA-N 1 2 351.475 3.538 20 30 FHEDLO C#CCOc1cc(F)ccc1NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277168160 934685281 /nfs/dbraw/zinc/68/52/81/934685281.db2.gz YZSYPWRJTLNGEY-UHFFFAOYSA-N 1 2 372.444 3.541 20 30 FHEDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)s1 ZINC000277275162 934860702 /nfs/dbraw/zinc/86/07/02/934860702.db2.gz BTGHOCKRCUCOON-UHFFFAOYSA-N 1 2 374.897 3.795 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511064108 935212579 /nfs/dbraw/zinc/21/25/79/935212579.db2.gz JLEUAKUZFPFKSC-CYBMUJFWSA-N 1 2 355.825 3.921 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000511064108 935212582 /nfs/dbraw/zinc/21/25/82/935212582.db2.gz JLEUAKUZFPFKSC-CYBMUJFWSA-N 1 2 355.825 3.921 20 30 FHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000582189002 935387466 /nfs/dbraw/zinc/38/74/66/935387466.db2.gz COGSPCVYZZYUQC-QUCCMNQESA-N 1 2 355.869 3.827 20 30 FHEDLO C=CCCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000582408784 935660924 /nfs/dbraw/zinc/66/09/24/935660924.db2.gz JLFBTZMZMXRMFK-UHFFFAOYSA-N 1 2 362.271 3.641 20 30 FHEDLO CC(C)Cc1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000509562691 945115551 /nfs/dbraw/zinc/11/55/51/945115551.db2.gz YMWCXDLAPTZNAK-UHFFFAOYSA-N 1 2 358.486 3.675 20 30 FHEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000563366919 935752281 /nfs/dbraw/zinc/75/22/81/935752281.db2.gz KMNCVGSTRIKYNI-QGZVFWFLSA-N 1 2 365.481 3.750 20 30 FHEDLO C=CCOc1ccc(C(=O)N(C)CCCc2[nH+]ccn2CCC)cc1OC ZINC000277643432 935771496 /nfs/dbraw/zinc/77/14/96/935771496.db2.gz TUZDPENPTQDANN-UHFFFAOYSA-N 1 2 371.481 3.571 20 30 FHEDLO C=C(C)COc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000073308097 935871213 /nfs/dbraw/zinc/87/12/13/935871213.db2.gz GRIPAKFTGZMSJH-HXUWFJFHSA-N 1 2 351.450 3.640 20 30 FHEDLO C=C(C)COc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000073308097 935871216 /nfs/dbraw/zinc/87/12/16/935871216.db2.gz GRIPAKFTGZMSJH-HXUWFJFHSA-N 1 2 351.450 3.640 20 30 FHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)o2)c1 ZINC000075746225 936011794 /nfs/dbraw/zinc/01/17/94/936011794.db2.gz DMCRDLMEQFAOMS-GOSISDBHSA-N 1 2 362.458 3.898 20 30 FHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCSC[C@@H]3c3ccccc3)o2)c1 ZINC000075746225 936011797 /nfs/dbraw/zinc/01/17/97/936011797.db2.gz DMCRDLMEQFAOMS-GOSISDBHSA-N 1 2 362.458 3.898 20 30 FHEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245625358 938308694 /nfs/dbraw/zinc/30/86/94/938308694.db2.gz YDAJOCWZTNNUJO-IAGOWNOFSA-N 1 2 363.864 3.815 20 30 FHEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245625358 938308695 /nfs/dbraw/zinc/30/86/95/938308695.db2.gz YDAJOCWZTNNUJO-IAGOWNOFSA-N 1 2 363.864 3.815 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCOc3ccccc31)C2 ZINC000329291356 938328315 /nfs/dbraw/zinc/32/83/15/938328315.db2.gz QVWUUKYPADCSNU-HOCLYGCPSA-N 1 2 368.481 3.523 20 30 FHEDLO N#C[C@@H]1CC[C@@H](Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)C1 ZINC000278497397 938479415 /nfs/dbraw/zinc/47/94/15/938479415.db2.gz CHGOURYNUZGQSZ-NVXWUHKLSA-N 1 2 353.495 3.647 20 30 FHEDLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427197007 945187873 /nfs/dbraw/zinc/18/78/73/945187873.db2.gz IZWLLZAERRNJHA-UHFFFAOYSA-N 1 2 373.453 3.614 20 30 FHEDLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427197007 945187877 /nfs/dbraw/zinc/18/78/77/945187877.db2.gz IZWLLZAERRNJHA-UHFFFAOYSA-N 1 2 373.453 3.614 20 30 FHEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC(C)(C#N)CC1 ZINC000506012943 945196421 /nfs/dbraw/zinc/19/64/21/945196421.db2.gz PIESPWNWYGIGQI-UHFFFAOYSA-N 1 2 351.450 3.846 20 30 FHEDLO C[NH+](C)[C@@H](C(=O)OCc1cc(C#N)ccc1Br)c1ccccc1 ZINC000755567717 938839075 /nfs/dbraw/zinc/83/90/75/938839075.db2.gz JOYUDHWDMFUEDT-QGZVFWFLSA-N 1 2 373.250 3.667 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc2ccccc2nc1OC ZINC000584437698 938879018 /nfs/dbraw/zinc/87/90/18/938879018.db2.gz TTXXEABQFAREFF-UHFFFAOYSA-N 1 2 352.434 3.907 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc2ccccc2nc1OC ZINC000584437698 938879019 /nfs/dbraw/zinc/87/90/19/938879019.db2.gz TTXXEABQFAREFF-UHFFFAOYSA-N 1 2 352.434 3.907 20 30 FHEDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc([N+](=O)[O-])c(C#N)c3)CC2)cc1 ZINC000166895887 939012846 /nfs/dbraw/zinc/01/28/46/939012846.db2.gz PXYCIQRWUXUJEB-UHFFFAOYSA-N 1 2 365.437 3.613 20 30 FHEDLO COc1ccc2nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)sc2c1 ZINC000548860145 939047355 /nfs/dbraw/zinc/04/73/55/939047355.db2.gz KEIPFZOADXZXQZ-UHFFFAOYSA-N 1 2 364.474 3.757 20 30 FHEDLO N#Cc1cnn2cc(C[NH+]3CCC(=Cc4ccc(F)c(F)c4)CC3)cnc12 ZINC000516770983 945226441 /nfs/dbraw/zinc/22/64/41/945226441.db2.gz XGFRQMXAPKBJQH-UHFFFAOYSA-N 1 2 365.387 3.559 20 30 FHEDLO C[C@@H]([NH2+][C@H](C)c1ccc(=O)[nH]n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000375794282 939897904 /nfs/dbraw/zinc/89/79/04/939897904.db2.gz VGCUPBUFAQFJQT-VXGBXAGGSA-N 1 2 351.435 3.589 20 30 FHEDLO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OCc1cccnc1 ZINC000612406231 940050993 /nfs/dbraw/zinc/05/09/93/940050993.db2.gz JVFZFSHVLMRIEM-OAQYLSRUSA-N 1 2 351.450 3.795 20 30 FHEDLO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1OCc1cccnc1 ZINC000612406231 940050997 /nfs/dbraw/zinc/05/09/97/940050997.db2.gz JVFZFSHVLMRIEM-OAQYLSRUSA-N 1 2 351.450 3.795 20 30 FHEDLO C=CCOc1ccc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000375935233 940083136 /nfs/dbraw/zinc/08/31/36/940083136.db2.gz QMRIAROWNAXCQS-MRXNPFEDSA-N 1 2 353.466 3.519 20 30 FHEDLO C=CCOc1ccc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000375935233 940083137 /nfs/dbraw/zinc/08/31/37/940083137.db2.gz QMRIAROWNAXCQS-MRXNPFEDSA-N 1 2 353.466 3.519 20 30 FHEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)on1 ZINC000472444120 940161910 /nfs/dbraw/zinc/16/19/10/940161910.db2.gz ZRHHTYDNTGVRNC-LJQANCHMSA-N 1 2 362.433 3.871 20 30 FHEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)on1 ZINC000472444120 940161912 /nfs/dbraw/zinc/16/19/12/940161912.db2.gz ZRHHTYDNTGVRNC-LJQANCHMSA-N 1 2 362.433 3.871 20 30 FHEDLO C(#CC[N@@H+]1CCC[C@H](c2ccccn2)C1)C[NH+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625907 945323501 /nfs/dbraw/zinc/32/35/01/945323501.db2.gz LKVJGKXUHGYNCQ-SZPZYZBQSA-N 1 2 374.532 3.539 20 30 FHEDLO C(#CC[N@H+]1CCC[C@H](c2ccccn2)C1)C[NH+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625907 945323507 /nfs/dbraw/zinc/32/35/07/945323507.db2.gz LKVJGKXUHGYNCQ-SZPZYZBQSA-N 1 2 374.532 3.539 20 30 FHEDLO C(#CC[N@@H+]1CCC[C@@H](c2ccccn2)C1)CN1CCC[C@H](c2ccccn2)C1 ZINC000660625907 945323516 /nfs/dbraw/zinc/32/35/16/945323516.db2.gz LKVJGKXUHGYNCQ-SZPZYZBQSA-N 1 2 374.532 3.539 20 30 FHEDLO C(#CC[N@H+]1CCC[C@@H](c2ccccn2)C1)CN1CCC[C@H](c2ccccn2)C1 ZINC000660625907 945323524 /nfs/dbraw/zinc/32/35/24/945323524.db2.gz LKVJGKXUHGYNCQ-SZPZYZBQSA-N 1 2 374.532 3.539 20 30 FHEDLO C(#CC[N@H+]1CCC[C@H](c2ccccn2)C1)CN1CCC[C@@H](c2ccccn2)C1 ZINC000660625907 945323540 /nfs/dbraw/zinc/32/35/40/945323540.db2.gz LKVJGKXUHGYNCQ-SZPZYZBQSA-N 1 2 374.532 3.539 20 30 FHEDLO Cc1cccn2cc(CC(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)[nH+]c12 ZINC000066397373 940479312 /nfs/dbraw/zinc/47/93/12/940479312.db2.gz VDCHGCTWAXRJLN-LJQANCHMSA-N 1 2 360.461 3.864 20 30 FHEDLO CC(C)(C)c1ccc(C#N)c(N[C@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000613411481 940682557 /nfs/dbraw/zinc/68/25/57/940682557.db2.gz XYJMPRCMAHAOFS-LJQANCHMSA-N 1 2 364.493 3.736 20 30 FHEDLO C=C(C)COc1cc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)ccc1OC ZINC000506803378 945341251 /nfs/dbraw/zinc/34/12/51/945341251.db2.gz GQWVJHRMZVBZIK-UHFFFAOYSA-N 1 2 372.440 3.860 20 30 FHEDLO C=C(C)COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)ccc1OC ZINC000506803378 945341259 /nfs/dbraw/zinc/34/12/59/945341259.db2.gz GQWVJHRMZVBZIK-UHFFFAOYSA-N 1 2 372.440 3.860 20 30 FHEDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176212737 941004066 /nfs/dbraw/zinc/00/40/66/941004066.db2.gz NORYAWTWFVAVSH-CQSZACIVSA-N 1 2 362.882 3.678 20 30 FHEDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176212737 941004069 /nfs/dbraw/zinc/00/40/69/941004069.db2.gz NORYAWTWFVAVSH-CQSZACIVSA-N 1 2 362.882 3.678 20 30 FHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188839543 941114525 /nfs/dbraw/zinc/11/45/25/941114525.db2.gz WFOKNFZSRLLEEP-UHFFFAOYSA-N 1 2 362.389 3.654 20 30 FHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188839543 941114526 /nfs/dbraw/zinc/11/45/26/941114526.db2.gz WFOKNFZSRLLEEP-UHFFFAOYSA-N 1 2 362.389 3.654 20 30 FHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000189715172 941266644 /nfs/dbraw/zinc/26/66/44/941266644.db2.gz SJPYGGZYLIYXQN-MSOLQXFVSA-N 1 2 374.366 3.542 20 30 FHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000189715172 941266647 /nfs/dbraw/zinc/26/66/47/941266647.db2.gz SJPYGGZYLIYXQN-MSOLQXFVSA-N 1 2 374.366 3.542 20 30 FHEDLO NC(=[NH+]OCc1cccc2cccnc21)c1ccc(Br)cc1 ZINC000782949888 941327412 /nfs/dbraw/zinc/32/74/12/941327412.db2.gz PTXBOARZPSFAOF-UHFFFAOYSA-N 1 2 356.223 3.834 20 30 FHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCCCC3)CC2)cc1 ZINC000303002301 941343512 /nfs/dbraw/zinc/34/35/12/941343512.db2.gz KYDDWGFBYWTPJJ-UHFFFAOYSA-N 1 2 353.510 3.928 20 30 FHEDLO Cc1nsc(N2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)c1C#N ZINC000565097970 941810149 /nfs/dbraw/zinc/81/01/49/941810149.db2.gz IUUBMBCIKGIFDF-IHWYPQMZSA-N 1 2 358.898 3.812 20 30 FHEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000513415756 941912881 /nfs/dbraw/zinc/91/28/81/941912881.db2.gz SUXJVKMWRGDEQS-INIZCTEOSA-N 1 2 351.425 3.525 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCOC[C@H](C)C1 ZINC000328707881 942001682 /nfs/dbraw/zinc/00/16/82/942001682.db2.gz ZQSYHNHYMWCTBN-KGLIPLIRSA-N 1 2 361.511 3.833 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCOC[C@H](C)C1 ZINC000328707881 942001686 /nfs/dbraw/zinc/00/16/86/942001686.db2.gz ZQSYHNHYMWCTBN-KGLIPLIRSA-N 1 2 361.511 3.833 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c(Br)c1 ZINC000481121117 942359557 /nfs/dbraw/zinc/35/95/57/942359557.db2.gz TZNKOWCERJLSOJ-UHFFFAOYSA-N 1 2 372.266 3.759 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000502501108 942479912 /nfs/dbraw/zinc/47/99/12/942479912.db2.gz OIPXEKANLAZUKX-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000502501108 942479918 /nfs/dbraw/zinc/47/99/18/942479918.db2.gz OIPXEKANLAZUKX-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3ccc(Cl)s3)CC2)cc1 ZINC000502555196 942537774 /nfs/dbraw/zinc/53/77/74/942537774.db2.gz VWVURFJKBSGPFA-UHFFFAOYSA-N 1 2 371.893 3.679 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3ccc(Cl)s3)CC2)cc1 ZINC000502555196 942537780 /nfs/dbraw/zinc/53/77/80/942537780.db2.gz VWVURFJKBSGPFA-UHFFFAOYSA-N 1 2 371.893 3.679 20 30 FHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000502753659 942718768 /nfs/dbraw/zinc/71/87/68/942718768.db2.gz OLKXKVXAQKWMMU-IBGZPJMESA-N 1 2 360.417 3.990 20 30 FHEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(F)(c3ccccc3)CC2)C1=O ZINC000434502271 942727689 /nfs/dbraw/zinc/72/76/89/942727689.db2.gz JNBPVMCSFZCOPT-KRWDZBQOSA-N 1 2 369.465 3.686 20 30 FHEDLO CO[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(Cl)cc1 ZINC000514107868 942750079 /nfs/dbraw/zinc/75/00/79/942750079.db2.gz RFMLXWREFDBDQU-VQTJNVASSA-N 1 2 356.853 3.973 20 30 FHEDLO CO[C@@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(Cl)cc1 ZINC000514107868 942750083 /nfs/dbraw/zinc/75/00/83/942750083.db2.gz RFMLXWREFDBDQU-VQTJNVASSA-N 1 2 356.853 3.973 20 30 FHEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000330201957 942790165 /nfs/dbraw/zinc/79/01/65/942790165.db2.gz YQBKEWCKIDCUHD-JYJNAYRXSA-N 1 2 372.435 3.939 20 30 FHEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945125 942862462 /nfs/dbraw/zinc/86/24/62/942862462.db2.gz VPVZBYROWIDHSR-IFMALSPDSA-N 1 2 363.436 3.543 20 30 FHEDLO Cc1ccccc1[C@@]1(F)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945125 942862467 /nfs/dbraw/zinc/86/24/67/942862467.db2.gz VPVZBYROWIDHSR-IFMALSPDSA-N 1 2 363.436 3.543 20 30 FHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000183959793 942946298 /nfs/dbraw/zinc/94/62/98/942946298.db2.gz SYFKCMRJAUBAQC-INIZCTEOSA-N 1 2 367.880 3.660 20 30 FHEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000273453313 942960007 /nfs/dbraw/zinc/96/00/07/942960007.db2.gz PFZGVCHJRVAZSG-LJQANCHMSA-N 1 2 356.470 3.519 20 30 FHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1SCC#N ZINC000272250615 943123212 /nfs/dbraw/zinc/12/32/12/943123212.db2.gz IEJHOJIEJPMHNT-UHFFFAOYSA-N 1 2 355.463 3.564 20 30 FHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1SCC#N ZINC000272250615 943123218 /nfs/dbraw/zinc/12/32/18/943123218.db2.gz IEJHOJIEJPMHNT-UHFFFAOYSA-N 1 2 355.463 3.564 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000515491237 943936652 /nfs/dbraw/zinc/93/66/52/943936652.db2.gz ZLNWUJUZZSDYQJ-BVGQSLNGSA-N 1 2 373.884 3.572 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000515491237 943936656 /nfs/dbraw/zinc/93/66/56/943936656.db2.gz ZLNWUJUZZSDYQJ-BVGQSLNGSA-N 1 2 373.884 3.572 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnc(C4CCC4)s3)CC2)cc1 ZINC000506101520 944023627 /nfs/dbraw/zinc/02/36/27/944023627.db2.gz RCPLWDBZHJJLIL-UHFFFAOYSA-N 1 2 352.507 3.600 20 30 FHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)cc1 ZINC000506101520 944023631 /nfs/dbraw/zinc/02/36/31/944023631.db2.gz RCPLWDBZHJJLIL-UHFFFAOYSA-N 1 2 352.507 3.600 20 30 FHEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)Cc1cccs1 ZINC000015028299 944338245 /nfs/dbraw/zinc/33/82/45/944338245.db2.gz PCJUHENMMPQVJA-UHFFFAOYSA-N 1 2 357.479 3.701 20 30 FHEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)Cc1cccs1 ZINC000015028299 944338252 /nfs/dbraw/zinc/33/82/52/944338252.db2.gz PCJUHENMMPQVJA-UHFFFAOYSA-N 1 2 357.479 3.701 20 30 FHEDLO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000518447644 944385950 /nfs/dbraw/zinc/38/59/50/944385950.db2.gz NNMQBUHKIZFLHK-INIZCTEOSA-N 1 2 370.403 3.623 20 30 FHEDLO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000518447644 944385958 /nfs/dbraw/zinc/38/59/58/944385958.db2.gz NNMQBUHKIZFLHK-INIZCTEOSA-N 1 2 370.403 3.623 20 30 FHEDLO C=CC[N@@H+](CC(=O)NCCOc1ccc(Cl)cc1)Cc1cccs1 ZINC000025076885 944589142 /nfs/dbraw/zinc/58/91/42/944589142.db2.gz GYBQGEWLVVHKQG-UHFFFAOYSA-N 1 2 364.898 3.585 20 30 FHEDLO C=CC[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)Cc1cccs1 ZINC000025076885 944589154 /nfs/dbraw/zinc/58/91/54/944589154.db2.gz GYBQGEWLVVHKQG-UHFFFAOYSA-N 1 2 364.898 3.585 20 30 FHEDLO Clc1ccc(C#CC[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000426385962 944616062 /nfs/dbraw/zinc/61/60/62/944616062.db2.gz SXDUUYWNTLVZKZ-UHFFFAOYSA-N 1 2 368.893 3.518 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(Cl)c1 ZINC000439443292 944621948 /nfs/dbraw/zinc/62/19/48/944621948.db2.gz ADJHGDPVQFFPRL-QGZVFWFLSA-N 1 2 372.831 3.747 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(Cl)c1 ZINC000439443292 944621955 /nfs/dbraw/zinc/62/19/55/944621955.db2.gz ADJHGDPVQFFPRL-QGZVFWFLSA-N 1 2 372.831 3.747 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c(Cl)c1 ZINC000439466349 944643274 /nfs/dbraw/zinc/64/32/74/944643274.db2.gz XJBOIHSYMYWTNS-UHFFFAOYSA-N 1 2 369.881 3.539 20 30 FHEDLO CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)nn1C ZINC001270166083 944986169 /nfs/dbraw/zinc/98/61/69/944986169.db2.gz QZJGEAMQFXFNCB-KDURUIRLSA-N 1 2 360.546 3.654 20 30 FHEDLO CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)nn1C ZINC001270166083 944986175 /nfs/dbraw/zinc/98/61/75/944986175.db2.gz QZJGEAMQFXFNCB-KDURUIRLSA-N 1 2 360.546 3.654 20 30 FHEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)cc2)ccn1 ZINC000427036380 945033080 /nfs/dbraw/zinc/03/30/80/945033080.db2.gz BGGYLWXSFKBHPD-KRWDZBQOSA-N 1 2 359.389 3.527 20 30 FHEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330143255 945374846 /nfs/dbraw/zinc/37/48/46/945374846.db2.gz YSEHNJOUDXZUPP-AXHMDWHKSA-N 1 2 364.461 3.502 20 30 FHEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330143255 945374856 /nfs/dbraw/zinc/37/48/56/945374856.db2.gz YSEHNJOUDXZUPP-AXHMDWHKSA-N 1 2 364.461 3.502 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)C[C@@]2(CCOC2)O1 ZINC000330158985 945380841 /nfs/dbraw/zinc/38/08/41/945380841.db2.gz QMNOBZHETBALQG-LSBZLQRGSA-N 1 2 366.889 3.627 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)C[C@@]2(CCOC2)O1 ZINC000330158985 945380849 /nfs/dbraw/zinc/38/08/49/945380849.db2.gz QMNOBZHETBALQG-LSBZLQRGSA-N 1 2 366.889 3.627 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330265944 945433870 /nfs/dbraw/zinc/43/38/70/945433870.db2.gz ZYERPNVSFTUXKH-ZFWWWQNUSA-N 1 2 373.522 3.833 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330265944 945433872 /nfs/dbraw/zinc/43/38/72/945433872.db2.gz ZYERPNVSFTUXKH-ZFWWWQNUSA-N 1 2 373.522 3.833 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)C1 ZINC000330270033 945435121 /nfs/dbraw/zinc/43/51/21/945435121.db2.gz STGCAMNDQGTPQI-YPMHNXCESA-N 1 2 364.902 3.916 20 30 FHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000330281311 945443871 /nfs/dbraw/zinc/44/38/71/945443871.db2.gz UKWSBIKETOFQQX-WCIQWLHISA-N 1 2 364.493 3.770 20 30 FHEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000018175759 945445275 /nfs/dbraw/zinc/44/52/75/945445275.db2.gz RNHREVXGBZHOAL-UHFFFAOYSA-N 1 2 368.868 3.870 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCc3ccccc3C2)CCO1 ZINC000330333038 945601681 /nfs/dbraw/zinc/60/16/81/945601681.db2.gz PMBGHCOLPCDSDF-LMNJBCLMSA-N 1 2 353.466 3.792 20 30 FHEDLO N#CC1(CCC[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CCOCC1 ZINC000281518853 945666432 /nfs/dbraw/zinc/66/64/32/945666432.db2.gz ZEFKLEFRMULABB-SFHVURJKSA-N 1 2 366.864 3.953 20 30 FHEDLO N#CC1(CCC[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CCOCC1 ZINC000281518853 945666434 /nfs/dbraw/zinc/66/64/34/945666434.db2.gz ZEFKLEFRMULABB-SFHVURJKSA-N 1 2 366.864 3.953 20 30 FHEDLO Cc1cc(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661151024 945783592 /nfs/dbraw/zinc/78/35/92/945783592.db2.gz XCAXJBJOCDYYRK-QZTJIDSGSA-N 1 2 353.466 3.943 20 30 FHEDLO Cc1cc(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661151024 945783596 /nfs/dbraw/zinc/78/35/96/945783596.db2.gz XCAXJBJOCDYYRK-QZTJIDSGSA-N 1 2 353.466 3.943 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccccc1 ZINC000027777022 945788315 /nfs/dbraw/zinc/78/83/15/945788315.db2.gz LUEMMLZHVXXQRP-UHFFFAOYSA-N 1 2 374.868 3.984 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccccc1 ZINC000027777022 945788321 /nfs/dbraw/zinc/78/83/21/945788321.db2.gz LUEMMLZHVXXQRP-UHFFFAOYSA-N 1 2 374.868 3.984 20 30 FHEDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000519907507 945871657 /nfs/dbraw/zinc/87/16/57/945871657.db2.gz CSLYMQFMNXCVIZ-MGPUTAFESA-N 1 2 363.461 3.555 20 30 FHEDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000519907507 945871671 /nfs/dbraw/zinc/87/16/71/945871671.db2.gz CSLYMQFMNXCVIZ-MGPUTAFESA-N 1 2 363.461 3.555 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441015406 946117981 /nfs/dbraw/zinc/11/79/81/946117981.db2.gz KLQRFTWRXXMULF-HNNXBMFYSA-N 1 2 358.482 3.849 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441015406 946117984 /nfs/dbraw/zinc/11/79/84/946117984.db2.gz KLQRFTWRXXMULF-HNNXBMFYSA-N 1 2 358.482 3.849 20 30 FHEDLO C=C(C)[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302396189 946217129 /nfs/dbraw/zinc/21/71/29/946217129.db2.gz KEHNZTFIBUEDKK-VBKZILBWSA-N 1 2 374.435 3.693 20 30 FHEDLO C=C(C)[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302396189 946217137 /nfs/dbraw/zinc/21/71/37/946217137.db2.gz KEHNZTFIBUEDKK-VBKZILBWSA-N 1 2 374.435 3.693 20 30 FHEDLO Cc1cccn2cc(Cc3noc([C@H](C)Oc4ccccc4C#N)n3)[nH+]c12 ZINC000545685406 946406917 /nfs/dbraw/zinc/40/69/17/946406917.db2.gz SWIFLSKYOBXIMR-AWEZNQCLSA-N 1 2 359.389 3.628 20 30 FHEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000520421918 946568591 /nfs/dbraw/zinc/56/85/91/946568591.db2.gz OPMKXIWCIBBEBV-KRWDZBQOSA-N 1 2 351.475 3.518 20 30 FHEDLO CC1(C)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000520421918 946568594 /nfs/dbraw/zinc/56/85/94/946568594.db2.gz OPMKXIWCIBBEBV-KRWDZBQOSA-N 1 2 351.475 3.518 20 30 FHEDLO N#Cc1cc(Cl)c(-c2noc(CC3=CC[NH2+]CC3(F)F)n2)cc1Cl ZINC001211901692 946944553 /nfs/dbraw/zinc/94/45/53/946944553.db2.gz KBUITAJCUUPPLJ-UHFFFAOYSA-N 1 2 371.174 3.622 20 30 FHEDLO COc1cccc(C)c1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328660372 946969086 /nfs/dbraw/zinc/96/90/86/946969086.db2.gz VGOITHCPRFFVBL-MRXNPFEDSA-N 1 2 368.481 3.962 20 30 FHEDLO Cc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)n1C1CC1 ZINC000328723235 946982775 /nfs/dbraw/zinc/98/27/75/946982775.db2.gz SHMZHNKNVJCOTC-UHFFFAOYSA-N 1 2 357.433 3.561 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CSC3(C)C)n2)C1 ZINC000328743117 947007325 /nfs/dbraw/zinc/00/73/25/947007325.db2.gz NEOPZMRRKIMBSQ-DGCLKSJQSA-N 1 2 354.545 3.595 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CSC3(C)C)n2)C1 ZINC000328743117 947007337 /nfs/dbraw/zinc/00/73/37/947007337.db2.gz NEOPZMRRKIMBSQ-DGCLKSJQSA-N 1 2 354.545 3.595 20 30 FHEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328728902 947025521 /nfs/dbraw/zinc/02/55/21/947025521.db2.gz FEICICGCHOSGJA-CYBMUJFWSA-N 1 2 358.408 3.679 20 30 FHEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328728902 947025534 /nfs/dbraw/zinc/02/55/34/947025534.db2.gz FEICICGCHOSGJA-CYBMUJFWSA-N 1 2 358.408 3.679 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCCO[C@H](C)C1 ZINC000328812984 947032255 /nfs/dbraw/zinc/03/22/55/947032255.db2.gz FULKKTMAQXIREE-KGLIPLIRSA-N 1 2 361.511 3.976 20 30 FHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCCO[C@H](C)C1 ZINC000328812984 947032265 /nfs/dbraw/zinc/03/22/65/947032265.db2.gz FULKKTMAQXIREE-KGLIPLIRSA-N 1 2 361.511 3.976 20 30 FHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000328781560 947044278 /nfs/dbraw/zinc/04/42/78/947044278.db2.gz FVJYCXQUAGKUQY-CJNGLKHVSA-N 1 2 372.444 3.565 20 30 FHEDLO Cc1cn2cc(NC(=O)c3sc([C@H]4CCCOC4)nc3C)ccc2[nH+]1 ZINC000328781746 947044410 /nfs/dbraw/zinc/04/44/10/947044410.db2.gz FWGQEUVNKKFPAT-ZDUSSCGKSA-N 1 2 356.451 3.938 20 30 FHEDLO N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)c1 ZINC000507747017 947078493 /nfs/dbraw/zinc/07/84/93/947078493.db2.gz HOOCYUXFGSAPPG-UHFFFAOYSA-N 1 2 364.355 3.692 20 30 FHEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000328943719 947096419 /nfs/dbraw/zinc/09/64/19/947096419.db2.gz AKWSCIBWOQNODT-GXSJLCMTSA-N 1 2 352.797 3.637 20 30 FHEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000328943719 947096427 /nfs/dbraw/zinc/09/64/27/947096427.db2.gz AKWSCIBWOQNODT-GXSJLCMTSA-N 1 2 352.797 3.637 20 30 FHEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000328943722 947096717 /nfs/dbraw/zinc/09/67/17/947096717.db2.gz AKWSCIBWOQNODT-ONGXEEELSA-N 1 2 352.797 3.637 20 30 FHEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000328943722 947096728 /nfs/dbraw/zinc/09/67/28/947096728.db2.gz AKWSCIBWOQNODT-ONGXEEELSA-N 1 2 352.797 3.637 20 30 FHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444719675 947160632 /nfs/dbraw/zinc/16/06/32/947160632.db2.gz ZRLFLYYCHPSFJH-RDYUPDBUSA-N 1 2 363.452 3.716 20 30 FHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444719675 947160623 /nfs/dbraw/zinc/16/06/23/947160623.db2.gz ZRLFLYYCHPSFJH-RDYUPDBUSA-N 1 2 363.452 3.716 20 30 FHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000428374911 947165289 /nfs/dbraw/zinc/16/52/89/947165289.db2.gz OCTMYXCZZISKIM-UHFFFAOYSA-N 1 2 372.831 3.596 20 30 FHEDLO C=C(C)[C@@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1)OCC ZINC000665004473 947243965 /nfs/dbraw/zinc/24/39/65/947243965.db2.gz WHPYAJVYHGRWNH-UHOSZYNNSA-N 1 2 371.481 3.555 20 30 FHEDLO C=C(C)[C@@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1)OCC ZINC000665004473 947243976 /nfs/dbraw/zinc/24/39/76/947243976.db2.gz WHPYAJVYHGRWNH-UHOSZYNNSA-N 1 2 371.481 3.555 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1Cl ZINC000053814985 947373067 /nfs/dbraw/zinc/37/30/67/947373067.db2.gz RPZPOXGEBQOFQN-UHFFFAOYSA-N 1 2 367.836 3.645 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1Cl ZINC000053814985 947373074 /nfs/dbraw/zinc/37/30/74/947373074.db2.gz RPZPOXGEBQOFQN-UHFFFAOYSA-N 1 2 367.836 3.645 20 30 FHEDLO COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000162926602 947877686 /nfs/dbraw/zinc/87/76/86/947877686.db2.gz FZMGQTVYBOVPCO-OAQYLSRUSA-N 1 2 364.445 3.624 20 30 FHEDLO N#Cc1cccc(/C=C/C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278878329 947952888 /nfs/dbraw/zinc/95/28/88/947952888.db2.gz CPROWTBAAMLDGU-BQYQJAHWSA-N 1 2 360.461 3.510 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000441488224 947988816 /nfs/dbraw/zinc/98/88/16/947988816.db2.gz HZYZFSUTKXITDE-NRFANRHFSA-N 1 2 358.445 3.851 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000520523773 948231504 /nfs/dbraw/zinc/23/15/04/948231504.db2.gz GWUWUISYIHEIQB-KUHUBIRLSA-N 1 2 365.880 3.540 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000520523773 948231509 /nfs/dbraw/zinc/23/15/09/948231509.db2.gz GWUWUISYIHEIQB-KUHUBIRLSA-N 1 2 365.880 3.540 20 30 FHEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000512036017 948248291 /nfs/dbraw/zinc/24/82/91/948248291.db2.gz CAIXOOUUSJDOEW-UHFFFAOYSA-N 1 2 357.523 3.588 20 30 FHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)c3c[nH]c4ccccc34)CC2)cc1 ZINC000507803389 948651961 /nfs/dbraw/zinc/65/19/61/948651961.db2.gz HYRCZLICMHXYHK-UHFFFAOYSA-N 1 2 359.429 3.766 20 30 FHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CCCC[C@@H]1CO ZINC000330265948 568003708 /nfs/dbraw/zinc/00/37/08/568003708.db2.gz ZYJSTQFPYNSMBN-VQIMIIECSA-N 1 2 368.481 3.573 20 30 FHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CCCC[C@H]1CO ZINC000330265947 568005177 /nfs/dbraw/zinc/00/51/77/568005177.db2.gz ZYJSTQFPYNSMBN-QFBILLFUSA-N 1 2 368.481 3.573 20 30 FHEDLO Cn1c(CCCNc2cc(C(F)(F)F)cnc2C#N)[nH+]c2ccccc21 ZINC000413187980 568074240 /nfs/dbraw/zinc/07/42/40/568074240.db2.gz WIDYELSOIUEPBZ-UHFFFAOYSA-N 1 2 359.355 3.903 20 30 FHEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000049612077 568133459 /nfs/dbraw/zinc/13/34/59/568133459.db2.gz GFGWBYYSFJTSOW-GOSISDBHSA-N 1 2 364.836 3.659 20 30 FHEDLO Cc1ccc(C[N@H+](CCO)Cc2ccc(C#N)cc2Br)cc1 ZINC000181967634 568292559 /nfs/dbraw/zinc/29/25/59/568292559.db2.gz ZALSTERKKWCKDF-UHFFFAOYSA-N 1 2 359.267 3.624 20 30 FHEDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2Br)cc1 ZINC000181967634 568292561 /nfs/dbraw/zinc/29/25/61/568292561.db2.gz ZALSTERKKWCKDF-UHFFFAOYSA-N 1 2 359.267 3.624 20 30 FHEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2nc(C)c(C#N)cc2Cl)C3)cc1 ZINC000569520232 568404721 /nfs/dbraw/zinc/40/47/21/568404721.db2.gz MZTSHSDTAHYQCW-UHFFFAOYSA-N 1 2 363.852 3.972 20 30 FHEDLO CC[C@@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000510081150 927894615 /nfs/dbraw/zinc/89/46/15/927894615.db2.gz HBHMYOINLBAKPQ-NRFANRHFSA-N 1 2 353.510 3.809 20 30 FHEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000430219268 928252197 /nfs/dbraw/zinc/25/21/97/928252197.db2.gz OJJQPCIKCALELH-FZKQIMNGSA-N 1 2 363.383 3.878 20 30 FHEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000430219268 928252209 /nfs/dbraw/zinc/25/22/09/928252209.db2.gz OJJQPCIKCALELH-FZKQIMNGSA-N 1 2 363.383 3.878 20 30 FHEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-] ZINC000157552001 928271138 /nfs/dbraw/zinc/27/11/38/928271138.db2.gz WSOFLYVLXBAUEH-UHFFFAOYSA-N 1 2 362.842 3.504 20 30 FHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1C#N ZINC000535962408 937241220 /nfs/dbraw/zinc/24/12/20/937241220.db2.gz DAPRXXRFSNFYMZ-OAHLLOKOSA-N 1 2 368.458 3.644 20 30 FHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1C#N ZINC000535962408 937241227 /nfs/dbraw/zinc/24/12/27/937241227.db2.gz DAPRXXRFSNFYMZ-OAHLLOKOSA-N 1 2 368.458 3.644 20 30 FHEDLO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000579843762 928412772 /nfs/dbraw/zinc/41/27/72/928412772.db2.gz UGQNFERATGFIKJ-UHFFFAOYSA-N 1 2 363.417 3.870 20 30 FHEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000254965733 928546604 /nfs/dbraw/zinc/54/66/04/928546604.db2.gz MXQNEABZQKODHD-SREVYHEPSA-N 1 2 366.333 3.664 20 30 FHEDLO N#Cc1c(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cn2ccccc12 ZINC000471193698 928881243 /nfs/dbraw/zinc/88/12/43/928881243.db2.gz GXMCMKJFEXFPEW-UHFFFAOYSA-N 1 2 367.456 3.681 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1cccc(C#N)c1 ZINC000063300895 928947104 /nfs/dbraw/zinc/94/71/04/928947104.db2.gz PSCSFXFJEKRVAS-UHFFFAOYSA-N 1 2 371.387 3.786 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1cccc(C#N)c1 ZINC000063300895 928947122 /nfs/dbraw/zinc/94/71/22/928947122.db2.gz PSCSFXFJEKRVAS-UHFFFAOYSA-N 1 2 371.387 3.786 20 30 FHEDLO Cc1cc(C#N)ccc1Nc1cc(I)c2[nH+]ccn2c1 ZINC001210375562 929709272 /nfs/dbraw/zinc/70/92/72/929709272.db2.gz WLNJICZIEQJIHG-UHFFFAOYSA-N 1 2 374.185 3.863 20 30 FHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000177641019 929727584 /nfs/dbraw/zinc/72/75/84/929727584.db2.gz MQLBSXCFNUNZHJ-KRWDZBQOSA-N 1 2 365.452 3.535 20 30 FHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000177641031 929727730 /nfs/dbraw/zinc/72/77/30/929727730.db2.gz MQLBSXCFNUNZHJ-QGZVFWFLSA-N 1 2 365.452 3.535 20 30 FHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000536974682 930738413 /nfs/dbraw/zinc/73/84/13/930738413.db2.gz RUBVUABZZVWEGY-UHFFFAOYSA-N 1 2 373.460 3.701 20 30 FHEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1NCc1ccn2cc[nH+]c2c1 ZINC000580493725 930746768 /nfs/dbraw/zinc/74/67/68/930746768.db2.gz OUNRBPINRLWFMP-UHFFFAOYSA-N 1 2 351.772 3.581 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(-c2ccccc2F)nc1C ZINC000656262444 930943172 /nfs/dbraw/zinc/94/31/72/930943172.db2.gz VQYGMYDLGRKZCS-UHFFFAOYSA-N 1 2 369.440 3.983 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(-c2ccccc2F)nc1C ZINC000656262444 930943183 /nfs/dbraw/zinc/94/31/83/930943183.db2.gz VQYGMYDLGRKZCS-UHFFFAOYSA-N 1 2 369.440 3.983 20 30 FHEDLO C[N@@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580884504 931298552 /nfs/dbraw/zinc/29/85/52/931298552.db2.gz IQZFZAATUNZQOP-HOCLYGCPSA-N 1 2 365.239 3.678 20 30 FHEDLO C[N@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580884504 931298562 /nfs/dbraw/zinc/29/85/62/931298562.db2.gz IQZFZAATUNZQOP-HOCLYGCPSA-N 1 2 365.239 3.678 20 30 FHEDLO CCOc1ccc(-c2nc(CO[NH+]=C(N)c3ccc(OC)cc3)co2)cc1 ZINC000160710377 931413279 /nfs/dbraw/zinc/41/32/79/931413279.db2.gz WTKBOVWSRYBWLY-UHFFFAOYSA-N 1 2 367.405 3.586 20 30 FHEDLO C[NH+](C)[C@H](C(=O)Nc1nc2c(cc1C#N)CCCC2)c1ccc(Cl)cc1 ZINC000581318777 931827201 /nfs/dbraw/zinc/82/72/01/931827201.db2.gz HRJYIUPBGDWKCQ-SFHVURJKSA-N 1 2 368.868 3.727 20 30 FHEDLO Cc1sc(NC(=O)C[N@H+](CCC(F)(F)F)CC2CC2)c(C#N)c1C ZINC000084138517 932167337 /nfs/dbraw/zinc/16/73/37/932167337.db2.gz VHDAXUXRPGRJTH-UHFFFAOYSA-N 1 2 359.417 3.840 20 30 FHEDLO Cc1sc(NC(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)c(C#N)c1C ZINC000084138517 932167346 /nfs/dbraw/zinc/16/73/46/932167346.db2.gz VHDAXUXRPGRJTH-UHFFFAOYSA-N 1 2 359.417 3.840 20 30 FHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1Cn1cccn1 ZINC000255317156 932180716 /nfs/dbraw/zinc/18/07/16/932180716.db2.gz FFLVFFUWVHOKJZ-FPLPWBNLSA-N 1 2 372.428 3.792 20 30 FHEDLO CCOc1c(OC)cc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000155415421 932584513 /nfs/dbraw/zinc/58/45/13/932584513.db2.gz IMMLJKIHTBFRDJ-UHFFFAOYSA-N 1 2 358.413 3.745 20 30 FHEDLO CCOc1c(OC)cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000155415421 932584517 /nfs/dbraw/zinc/58/45/17/932584517.db2.gz IMMLJKIHTBFRDJ-UHFFFAOYSA-N 1 2 358.413 3.745 20 30 FHEDLO C=CC[N@H+](CC(=O)N[C@H](C)Cc1ccccc1C)Cc1ccc(OC)cc1 ZINC000510868782 933901969 /nfs/dbraw/zinc/90/19/69/933901969.db2.gz UEIBHNBDICOJGI-LJQANCHMSA-N 1 2 366.505 3.739 20 30 FHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)Cc1ccccc1C)Cc1ccc(OC)cc1 ZINC000510868782 933901977 /nfs/dbraw/zinc/90/19/77/933901977.db2.gz UEIBHNBDICOJGI-LJQANCHMSA-N 1 2 366.505 3.739 20 30 FHEDLO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(F)(C#N)CC1 ZINC000510905245 934004555 /nfs/dbraw/zinc/00/45/55/934004555.db2.gz ODSIFFBBIBEFLF-JKSUJKDBSA-N 1 2 353.441 3.733 20 30 FHEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000510949483 934214071 /nfs/dbraw/zinc/21/40/71/934214071.db2.gz RIYZCEWUPGEGJF-VXGBXAGGSA-N 1 2 372.271 3.887 20 30 FHEDLO N#Cc1c(F)ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)c1Cl ZINC000277023014 934456852 /nfs/dbraw/zinc/45/68/52/934456852.db2.gz NBORNJVFTWRJNO-UHFFFAOYSA-N 1 2 374.847 3.567 20 30 FHEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176270184 934711588 /nfs/dbraw/zinc/71/15/88/934711588.db2.gz CJVSTWPGUCAFIN-FOIQADDNSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176270184 934711592 /nfs/dbraw/zinc/71/15/92/934711592.db2.gz CJVSTWPGUCAFIN-FOIQADDNSA-N 1 2 372.465 3.554 20 30 FHEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc(OC)c1OC ZINC000255472565 935101274 /nfs/dbraw/zinc/10/12/74/935101274.db2.gz PLSZYSXSPLKCEW-FPLPWBNLSA-N 1 2 352.390 3.565 20 30 FHEDLO C=CCCn1cc(C[NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)nn1 ZINC000657311545 935118620 /nfs/dbraw/zinc/11/86/20/935118620.db2.gz NHSQBDQQAAQFPU-UHFFFAOYSA-N 1 2 363.465 3.948 20 30 FHEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000157855540 935213050 /nfs/dbraw/zinc/21/30/50/935213050.db2.gz RBHSBSAZHRDWOV-YJBOKZPZSA-N 1 2 367.453 3.657 20 30 FHEDLO N#CCC[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000438842395 945090066 /nfs/dbraw/zinc/09/00/66/945090066.db2.gz RKCMWXYUDAJWQY-HXUWFJFHSA-N 1 2 359.433 3.717 20 30 FHEDLO COc1ccc([C@@H](CNc2ccc(C#N)c(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000072097128 935299270 /nfs/dbraw/zinc/29/92/70/935299270.db2.gz JRIUGHHBKYGNBW-HXUWFJFHSA-N 1 2 371.868 3.706 20 30 FHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000582777542 936106712 /nfs/dbraw/zinc/10/67/12/936106712.db2.gz LVGHGFNODGICQZ-CYBMUJFWSA-N 1 2 370.334 3.576 20 30 FHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2ccccc2C#N)[nH+]1 ZINC001167635192 936264384 /nfs/dbraw/zinc/26/43/84/936264384.db2.gz MGZFJOOPAPZGBD-LWRBDHNKSA-N 1 2 354.479 3.755 20 30 FHEDLO N#Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1Cl ZINC000572969833 938282184 /nfs/dbraw/zinc/28/21/84/938282184.db2.gz AWACXJLXAKUACE-HNNXBMFYSA-N 1 2 368.868 3.764 20 30 FHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CCC[C@H]2CC(C)C)c1=S ZINC000157378986 938353935 /nfs/dbraw/zinc/35/39/35/938353935.db2.gz CIIOETQTLWSVAA-HNNXBMFYSA-N 1 2 358.515 3.525 20 30 FHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CCC[C@H]2CC(C)C)c1=S ZINC000157378986 938353937 /nfs/dbraw/zinc/35/39/37/938353937.db2.gz CIIOETQTLWSVAA-HNNXBMFYSA-N 1 2 358.515 3.525 20 30 FHEDLO CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000158172948 938486413 /nfs/dbraw/zinc/48/64/13/938486413.db2.gz IVQLPLLDJVYKRX-SFHVURJKSA-N 1 2 363.465 3.673 20 30 FHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000584323499 938686876 /nfs/dbraw/zinc/68/68/76/938686876.db2.gz RSVZRNPTVYNXPT-HBUWYVDXSA-N 1 2 368.399 3.735 20 30 FHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000584323499 938686877 /nfs/dbraw/zinc/68/68/77/938686877.db2.gz RSVZRNPTVYNXPT-HBUWYVDXSA-N 1 2 368.399 3.735 20 30 FHEDLO C[C@@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000458805234 938964947 /nfs/dbraw/zinc/96/49/47/938964947.db2.gz UJJQQTUPGQTRHG-YZGWKJHDSA-N 1 2 365.481 3.911 20 30 FHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@](C)(C#N)C3)n2)C1 ZINC000612036644 939023292 /nfs/dbraw/zinc/02/32/92/939023292.db2.gz LKKMOVIHLLKTIZ-KBXCAEBGSA-N 1 2 361.515 3.533 20 30 FHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@](C)(C#N)C3)n2)C1 ZINC000612036644 939023294 /nfs/dbraw/zinc/02/32/94/939023294.db2.gz LKKMOVIHLLKTIZ-KBXCAEBGSA-N 1 2 361.515 3.533 20 30 FHEDLO C[N@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1cccc(C#N)c1 ZINC000026326269 945260815 /nfs/dbraw/zinc/26/08/15/945260815.db2.gz DINWDOAGTXFCHW-UHFFFAOYSA-N 1 2 361.417 3.943 20 30 FHEDLO C[N@@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1cccc(C#N)c1 ZINC000026326269 945260820 /nfs/dbraw/zinc/26/08/20/945260820.db2.gz DINWDOAGTXFCHW-UHFFFAOYSA-N 1 2 361.417 3.943 20 30 FHEDLO C=CCC[C@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccco1 ZINC000375837804 939955507 /nfs/dbraw/zinc/95/55/07/939955507.db2.gz HPCFCXBBRVUICI-OLZOCXBDSA-N 1 2 354.376 3.793 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@](C)(C#N)C2)c(C)c1 ZINC000612379450 940033799 /nfs/dbraw/zinc/03/37/99/940033799.db2.gz MEVXEUPLKUSXAB-CTNGQTDRSA-N 1 2 365.481 3.577 20 30 FHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000413843120 940176201 /nfs/dbraw/zinc/17/62/01/940176201.db2.gz ZFQGAHPORSWBKE-RLLQIKCJSA-N 1 2 352.482 3.663 20 30 FHEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000330097784 945354939 /nfs/dbraw/zinc/35/49/39/945354939.db2.gz BCSCGUJBLJASFR-XMSQKQJNSA-N 1 2 374.525 3.579 20 30 FHEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000330097784 945354950 /nfs/dbraw/zinc/35/49/50/945354950.db2.gz BCSCGUJBLJASFR-XMSQKQJNSA-N 1 2 374.525 3.579 20 30 FHEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1Cl ZINC000330103606 945357539 /nfs/dbraw/zinc/35/75/39/945357539.db2.gz HAQBKWANZSEXBU-CLCXKQKWSA-N 1 2 366.889 3.627 20 30 FHEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1Cl ZINC000330103606 945357548 /nfs/dbraw/zinc/35/75/48/945357548.db2.gz HAQBKWANZSEXBU-CLCXKQKWSA-N 1 2 366.889 3.627 20 30 FHEDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176212723 941004103 /nfs/dbraw/zinc/00/41/03/941004103.db2.gz NORYAWTWFVAVSH-AWEZNQCLSA-N 1 2 362.882 3.678 20 30 FHEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176212723 941004104 /nfs/dbraw/zinc/00/41/04/941004104.db2.gz NORYAWTWFVAVSH-AWEZNQCLSA-N 1 2 362.882 3.678 20 30 FHEDLO COc1ccncc1C[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376510188 941096190 /nfs/dbraw/zinc/09/61/90/941096190.db2.gz BWYKHXNGLPHRMK-ZDUSSCGKSA-N 1 2 350.447 3.936 20 30 FHEDLO C=CC[C@@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000187809332 941104814 /nfs/dbraw/zinc/10/48/14/941104814.db2.gz JMIFDLRTRSHVRU-OAQYLSRUSA-N 1 2 359.473 3.950 20 30 FHEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000177373330 941119491 /nfs/dbraw/zinc/11/94/91/941119491.db2.gz PEWHELNBJLSSQZ-RUZDIDTESA-N 1 2 365.420 3.926 20 30 FHEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000177373330 941119492 /nfs/dbraw/zinc/11/94/92/941119492.db2.gz PEWHELNBJLSSQZ-RUZDIDTESA-N 1 2 365.420 3.926 20 30 FHEDLO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376594610 941281667 /nfs/dbraw/zinc/28/16/67/941281667.db2.gz FUVGROZPMJPJLN-UHFFFAOYSA-N 1 2 363.461 3.740 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C#N)c1C ZINC000178726705 941296973 /nfs/dbraw/zinc/29/69/73/941296973.db2.gz BXHLSBPWBFVDQV-UHFFFAOYSA-N 1 2 370.409 3.525 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C#N)c1C ZINC000178726705 941296976 /nfs/dbraw/zinc/29/69/76/941296976.db2.gz BXHLSBPWBFVDQV-UHFFFAOYSA-N 1 2 370.409 3.525 20 30 FHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000376735581 941394162 /nfs/dbraw/zinc/39/41/62/941394162.db2.gz HBRNMNNFBJRUAH-UHFFFAOYSA-N 1 2 362.408 3.933 20 30 FHEDLO COc1cccc(C[NH2+][C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)n1 ZINC000376845553 941449527 /nfs/dbraw/zinc/44/95/27/941449527.db2.gz XXNCYLHYUSQHFT-ZDUSSCGKSA-N 1 2 350.447 3.936 20 30 FHEDLO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000472655243 941502435 /nfs/dbraw/zinc/50/24/35/941502435.db2.gz JFGCMVLWFXXWLC-QGZVFWFLSA-N 1 2 373.460 3.743 20 30 FHEDLO CCOCc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1OC ZINC000377249176 941595381 /nfs/dbraw/zinc/59/53/81/941595381.db2.gz JESZOMQKDCNMHP-JOCHJYFZSA-N 1 2 366.461 3.677 20 30 FHEDLO CCOCc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1OC ZINC000377249176 941595384 /nfs/dbraw/zinc/59/53/84/941595384.db2.gz JESZOMQKDCNMHP-JOCHJYFZSA-N 1 2 366.461 3.677 20 30 FHEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc3ccccc3n2CC#N)n1 ZINC000729333200 941720834 /nfs/dbraw/zinc/72/08/34/941720834.db2.gz RIJADQMXBLNQOH-UHFFFAOYSA-N 1 2 367.478 3.715 20 30 FHEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000513266180 941817029 /nfs/dbraw/zinc/81/70/29/941817029.db2.gz JGTDJOCZJUXQNQ-NXEZZACHSA-N 1 2 364.783 3.563 20 30 FHEDLO N#Cc1c(C#N)c(N2CCC(n3cc[nH+]c3)CC2)nc2c1CCCCCC2 ZINC000280745367 942239394 /nfs/dbraw/zinc/23/93/94/942239394.db2.gz OYFGTIMQSVOTSR-UHFFFAOYSA-N 1 2 360.465 3.522 20 30 FHEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000505308338 942469014 /nfs/dbraw/zinc/46/90/14/942469014.db2.gz PFPOZLXEONJGFP-YJBOKZPZSA-N 1 2 351.853 3.672 20 30 FHEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507369 942484671 /nfs/dbraw/zinc/48/46/71/942484671.db2.gz MNGDKQMDUAFDFT-INIZCTEOSA-N 1 2 361.445 3.683 20 30 FHEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507369 942484676 /nfs/dbraw/zinc/48/46/76/942484676.db2.gz MNGDKQMDUAFDFT-INIZCTEOSA-N 1 2 361.445 3.683 20 30 FHEDLO COc1ccc(-c2noc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000502508693 942486404 /nfs/dbraw/zinc/48/64/04/942486404.db2.gz RKCGJYPTAYXJDB-UHFFFAOYSA-N 1 2 372.428 3.906 20 30 FHEDLO COc1ccc(-c2noc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000502508693 942486407 /nfs/dbraw/zinc/48/64/07/942486407.db2.gz RKCGJYPTAYXJDB-UHFFFAOYSA-N 1 2 372.428 3.906 20 30 FHEDLO N#Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1Cl ZINC000541238577 942512379 /nfs/dbraw/zinc/51/23/79/942512379.db2.gz YERIEUMGELVVJX-UHFFFAOYSA-N 1 2 356.857 3.741 20 30 FHEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502553149 942536211 /nfs/dbraw/zinc/53/62/11/942536211.db2.gz KFNYHJCQKMUYTO-KRWDZBQOSA-N 1 2 355.445 3.989 20 30 FHEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502553149 942536213 /nfs/dbraw/zinc/53/62/13/942536213.db2.gz KFNYHJCQKMUYTO-KRWDZBQOSA-N 1 2 355.445 3.989 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000502555159 942537654 /nfs/dbraw/zinc/53/76/54/942537654.db2.gz VNGGDZNWFLTEPL-UHFFFAOYSA-N 1 2 353.372 3.564 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000502555159 942537664 /nfs/dbraw/zinc/53/76/64/942537664.db2.gz VNGGDZNWFLTEPL-UHFFFAOYSA-N 1 2 353.372 3.564 20 30 FHEDLO N#Cc1ccc(N2CCC([NH2+]C3(c4noc(C(F)F)n4)CCC3)CC2)cc1 ZINC000366533914 942548162 /nfs/dbraw/zinc/54/81/62/942548162.db2.gz IZBUNAIHJFVYIY-UHFFFAOYSA-N 1 2 373.407 3.517 20 30 FHEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000513958550 942623496 /nfs/dbraw/zinc/62/34/96/942623496.db2.gz TYFSLDGPBHOFMD-RXVVDRJESA-N 1 2 366.505 3.844 20 30 FHEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000513958550 942623499 /nfs/dbraw/zinc/62/34/99/942623499.db2.gz TYFSLDGPBHOFMD-RXVVDRJESA-N 1 2 366.505 3.844 20 30 FHEDLO C=CC[C@@H]1CCCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000664253032 942708774 /nfs/dbraw/zinc/70/87/74/942708774.db2.gz VYSZLTGYVJWIMT-MJGOQNOKSA-N 1 2 352.482 3.702 20 30 FHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190186086 942850046 /nfs/dbraw/zinc/85/00/46/942850046.db2.gz NBVPYHMDURMDFG-DOMZBBRYSA-N 1 2 353.388 3.796 20 30 FHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190186086 942850054 /nfs/dbraw/zinc/85/00/54/942850054.db2.gz NBVPYHMDURMDFG-DOMZBBRYSA-N 1 2 353.388 3.796 20 30 FHEDLO N#CC1(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCCC1 ZINC000041941826 942899753 /nfs/dbraw/zinc/89/97/53/942899753.db2.gz BJRWQCKYODFVBY-INIZCTEOSA-N 1 2 363.864 3.816 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000434783858 942962966 /nfs/dbraw/zinc/96/29/66/942962966.db2.gz BLARFPNJEGJJPM-MRXNPFEDSA-N 1 2 370.518 3.718 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000434783858 942962972 /nfs/dbraw/zinc/96/29/72/942962972.db2.gz BLARFPNJEGJJPM-MRXNPFEDSA-N 1 2 370.518 3.718 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000434906120 943043217 /nfs/dbraw/zinc/04/32/17/943043217.db2.gz UVHXZNJYNYQJQE-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000434906120 943043227 /nfs/dbraw/zinc/04/32/27/943043227.db2.gz UVHXZNJYNYQJQE-UHFFFAOYSA-N 1 2 351.837 3.939 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503266415 943099175 /nfs/dbraw/zinc/09/91/75/943099175.db2.gz UVCVPNZFFUHDCD-HXUWFJFHSA-N 1 2 363.848 3.904 20 30 FHEDLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(OCC#N)cc1 ZINC000272235753 943118999 /nfs/dbraw/zinc/11/89/99/943118999.db2.gz IOZFHZQYAHXNOU-BBWFWOEESA-N 1 2 366.465 3.771 20 30 FHEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272619626 943187744 /nfs/dbraw/zinc/18/77/44/943187744.db2.gz UNBHNEGJFQGKRX-GFCCVEGCSA-N 1 2 355.360 3.538 20 30 FHEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437651069 944000838 /nfs/dbraw/zinc/00/08/38/944000838.db2.gz NZIMUNCBLYIWHP-VWLOTQADSA-N 1 2 364.417 3.529 20 30 FHEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437651069 944000859 /nfs/dbraw/zinc/00/08/59/944000859.db2.gz NZIMUNCBLYIWHP-VWLOTQADSA-N 1 2 364.417 3.529 20 30 FHEDLO CC[N@@H+](Cc1ccc(I)c(Cl)c1)C[C@@H](C)C#N ZINC000436150989 944075975 /nfs/dbraw/zinc/07/59/75/944075975.db2.gz JWXOTNVKRQZBIA-JTQLQIEISA-N 1 2 362.642 3.926 20 30 FHEDLO CC[N@H+](Cc1ccc(I)c(Cl)c1)C[C@@H](C)C#N ZINC000436150989 944075988 /nfs/dbraw/zinc/07/59/88/944075988.db2.gz JWXOTNVKRQZBIA-JTQLQIEISA-N 1 2 362.642 3.926 20 30 FHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000425541584 944285389 /nfs/dbraw/zinc/28/53/89/944285389.db2.gz WYZZHWJDTWMNJD-LBPRGKRZSA-N 1 2 364.474 3.950 20 30 FHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000425541584 944285393 /nfs/dbraw/zinc/28/53/93/944285393.db2.gz WYZZHWJDTWMNJD-LBPRGKRZSA-N 1 2 364.474 3.950 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000500236212 944315609 /nfs/dbraw/zinc/31/56/09/944315609.db2.gz KDQLBHYPWSOLAL-OAQYLSRUSA-N 1 2 351.450 3.760 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000500236212 944315615 /nfs/dbraw/zinc/31/56/15/944315615.db2.gz KDQLBHYPWSOLAL-OAQYLSRUSA-N 1 2 351.450 3.760 20 30 FHEDLO C=CC[N@H+](Cc1cc(C(C)(C)C)on1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000516119349 944503898 /nfs/dbraw/zinc/50/38/98/944503898.db2.gz PTNFPULHMMWXDF-OAHLLOKOSA-N 1 2 366.469 3.697 20 30 FHEDLO C=CC[N@@H+](Cc1cc(C(C)(C)C)on1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000516119349 944503902 /nfs/dbraw/zinc/50/39/02/944503902.db2.gz PTNFPULHMMWXDF-OAHLLOKOSA-N 1 2 366.469 3.697 20 30 FHEDLO N#CCCCOc1cccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000506568377 944601548 /nfs/dbraw/zinc/60/15/48/944601548.db2.gz OCNXWEMUJWXBCH-UHFFFAOYSA-N 1 2 367.468 3.826 20 30 FHEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000500404782 944790631 /nfs/dbraw/zinc/79/06/31/944790631.db2.gz RTYZZCKCXVLKHN-SFHVURJKSA-N 1 2 363.383 3.897 20 30 FHEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000500404782 944790635 /nfs/dbraw/zinc/79/06/35/944790635.db2.gz RTYZZCKCXVLKHN-SFHVURJKSA-N 1 2 363.383 3.897 20 30 FHEDLO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143562107 944933102 /nfs/dbraw/zinc/93/31/02/944933102.db2.gz BAYHIPRGLVZAGM-KRWDZBQOSA-N 1 2 358.388 3.888 20 30 FHEDLO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143562107 944933107 /nfs/dbraw/zinc/93/31/07/944933107.db2.gz BAYHIPRGLVZAGM-KRWDZBQOSA-N 1 2 358.388 3.888 20 30 FHEDLO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001143562110 944936142 /nfs/dbraw/zinc/93/61/42/944936142.db2.gz BAYHIPRGLVZAGM-QGZVFWFLSA-N 1 2 358.388 3.888 20 30 FHEDLO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001143562110 944936150 /nfs/dbraw/zinc/93/61/50/944936150.db2.gz BAYHIPRGLVZAGM-QGZVFWFLSA-N 1 2 358.388 3.888 20 30 FHEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000509546786 945059226 /nfs/dbraw/zinc/05/92/26/945059226.db2.gz WCXFRUMXVFOTLS-UHFFFAOYSA-N 1 2 358.486 3.774 20 30 FHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C)CCCNC3=O)n2)C1 ZINC000330155703 945379928 /nfs/dbraw/zinc/37/99/28/945379928.db2.gz YLCVVNCYVARBPQ-YVEFUNNKSA-N 1 2 350.488 3.720 20 30 FHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C)CCCNC3=O)n2)C1 ZINC000330155703 945379937 /nfs/dbraw/zinc/37/99/37/945379937.db2.gz YLCVVNCYVARBPQ-YVEFUNNKSA-N 1 2 350.488 3.720 20 30 FHEDLO C=CCOc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000211074389 945439838 /nfs/dbraw/zinc/43/98/38/945439838.db2.gz QJTPPQRPFSRLJG-TWGQIWQCSA-N 1 2 362.473 3.723 20 30 FHEDLO Cc1ccc([C@@H]2[C@H](C)CCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330278600 945441552 /nfs/dbraw/zinc/44/15/52/945441552.db2.gz PVRLPZDWGQDEFK-POAQFYNOSA-N 1 2 352.482 3.894 20 30 FHEDLO Cc1nc2c(n1[C@H]1CC[N@@H+](CC(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330349979 945638730 /nfs/dbraw/zinc/63/87/30/945638730.db2.gz KNVWFJNKTPGYPT-VJFUWPCTSA-N 1 2 358.530 3.852 20 30 FHEDLO Cc1nc2c(n1[C@H]1CC[N@H+](CC(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330349979 945638737 /nfs/dbraw/zinc/63/87/37/945638737.db2.gz KNVWFJNKTPGYPT-VJFUWPCTSA-N 1 2 358.530 3.852 20 30 FHEDLO CC(C)OC(=O)Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000550077759 945729787 /nfs/dbraw/zinc/72/97/87/945729787.db2.gz YMPUAHRKJRLMEB-UHFFFAOYSA-N 1 2 371.506 3.919 20 30 FHEDLO CC(C)OC(=O)Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000550077759 945729798 /nfs/dbraw/zinc/72/97/98/945729798.db2.gz YMPUAHRKJRLMEB-UHFFFAOYSA-N 1 2 371.506 3.919 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)Cc1ccccc1 ZINC000027775682 945758319 /nfs/dbraw/zinc/75/83/19/945758319.db2.gz GURDOUAJSZPQBH-UHFFFAOYSA-N 1 2 372.490 3.778 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)Cc1ccccc1 ZINC000027775682 945758324 /nfs/dbraw/zinc/75/83/24/945758324.db2.gz GURDOUAJSZPQBH-UHFFFAOYSA-N 1 2 372.490 3.778 20 30 FHEDLO C=CC[N@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@H](C)COC ZINC000661242352 945896315 /nfs/dbraw/zinc/89/63/15/945896315.db2.gz AASHSNVSWNMASV-CQSZACIVSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@H](C)COC ZINC000661242352 945896323 /nfs/dbraw/zinc/89/63/23/945896323.db2.gz AASHSNVSWNMASV-CQSZACIVSA-N 1 2 362.495 3.850 20 30 FHEDLO C=CC[N@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)[C@@H](C)COC ZINC000661245751 945903312 /nfs/dbraw/zinc/90/33/12/945903312.db2.gz FGVPDRQBSLPBIP-AWEZNQCLSA-N 1 2 368.437 3.723 20 30 FHEDLO C=CC[N@@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)[C@@H](C)COC ZINC000661245751 945903323 /nfs/dbraw/zinc/90/33/23/945903323.db2.gz FGVPDRQBSLPBIP-AWEZNQCLSA-N 1 2 368.437 3.723 20 30 FHEDLO C=CCN(Cc1ccccc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532037 946067975 /nfs/dbraw/zinc/06/79/75/946067975.db2.gz IWHHNEVQVGGYKH-UHFFFAOYSA-N 1 2 374.488 3.872 20 30 FHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(C#N)cc2)c(C)c1 ZINC000475058930 946073101 /nfs/dbraw/zinc/07/31/01/946073101.db2.gz GJYYXLANOBRHDL-NRFANRHFSA-N 1 2 373.460 3.612 20 30 FHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000661413283 946078504 /nfs/dbraw/zinc/07/85/04/946078504.db2.gz CLRNLXHLNCSBIF-NLWGTHIKSA-N 1 2 356.514 3.605 20 30 FHEDLO C[NH+](C)[C@@H](CNc1cc(C#N)c2ccccc2n1)c1c(F)cccc1F ZINC000522903238 946084509 /nfs/dbraw/zinc/08/45/09/946084509.db2.gz AHHSOPXVHXURDA-SFHVURJKSA-N 1 2 352.388 3.521 20 30 FHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(OC3CCCCC3)CC2)c(C#N)c1C ZINC000125486307 946269804 /nfs/dbraw/zinc/26/98/04/946269804.db2.gz SWCIGQPRGKUXFN-OAHLLOKOSA-N 1 2 373.497 3.909 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F)c1 ZINC000104677641 946506626 /nfs/dbraw/zinc/50/66/26/946506626.db2.gz QAANWTNBMMCAOY-OAHLLOKOSA-N 1 2 355.404 3.823 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F)c1 ZINC000104677641 946506631 /nfs/dbraw/zinc/50/66/31/946506631.db2.gz QAANWTNBMMCAOY-OAHLLOKOSA-N 1 2 355.404 3.823 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385942 946799726 /nfs/dbraw/zinc/79/97/26/946799726.db2.gz HXWJUNIMOSDWEK-TZIWHRDSSA-N 1 2 352.482 3.749 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385942 946799718 /nfs/dbraw/zinc/79/97/18/946799718.db2.gz HXWJUNIMOSDWEK-TZIWHRDSSA-N 1 2 352.482 3.749 20 30 FHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC001167785135 946918927 /nfs/dbraw/zinc/91/89/27/946918927.db2.gz QSJVCTPPMUYYKE-HXUWFJFHSA-N 1 2 357.860 3.904 20 30 FHEDLO CCc1nc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)sc1C ZINC000328648796 946965264 /nfs/dbraw/zinc/96/52/64/946965264.db2.gz IHKURYPBLLSEDW-AWEZNQCLSA-N 1 2 373.526 3.972 20 30 FHEDLO O=C(Nc1scnc1C1CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328656327 946966960 /nfs/dbraw/zinc/96/69/60/946966960.db2.gz NQTSXXFYNKXAJT-AWEZNQCLSA-N 1 2 371.510 3.978 20 30 FHEDLO O=C(Nc1cccc(F)c1F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328657513 946967753 /nfs/dbraw/zinc/96/77/53/946967753.db2.gz PDSKQWAHZHYBDN-CYBMUJFWSA-N 1 2 360.408 3.923 20 30 FHEDLO O=C(NC1CCC(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1)C1CCCC1 ZINC000328703812 946997319 /nfs/dbraw/zinc/99/73/19/946997319.db2.gz OKIIHXCJNNQFQY-UHFFFAOYSA-N 1 2 372.513 3.821 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2coc(C3CCCCC3)n2)CCO1 ZINC000328771989 947020565 /nfs/dbraw/zinc/02/05/65/947020565.db2.gz RKSROHUTSLPTOZ-PBHICJAKSA-N 1 2 358.442 3.681 20 30 FHEDLO N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428374256 947094136 /nfs/dbraw/zinc/09/41/36/947094136.db2.gz NUJFHTGMNRRIJG-QGZVFWFLSA-N 1 2 374.469 3.651 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCc3cccc(F)c3C1)C2 ZINC000328992981 947137325 /nfs/dbraw/zinc/13/73/25/947137325.db2.gz IXCRQZPFVIQQSL-OAHLLOKOSA-N 1 2 370.472 3.607 20 30 FHEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)ccc1Br ZINC000330771764 947271320 /nfs/dbraw/zinc/27/13/20/947271320.db2.gz CNRDJWAEAYEDDF-CYBMUJFWSA-N 1 2 364.287 3.710 20 30 FHEDLO CC(C)(C#N)c1ccccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000487378236 947290949 /nfs/dbraw/zinc/29/09/49/947290949.db2.gz MCUUUOJSPKGWLO-UHFFFAOYSA-N 1 2 358.489 3.677 20 30 FHEDLO C=CC[C@@H]1N(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCCC1(C)C ZINC000444923925 947341603 /nfs/dbraw/zinc/34/16/03/947341603.db2.gz REPJFBOFRJBOPE-SFHVURJKSA-N 1 2 372.513 3.825 20 30 FHEDLO COc1cccc2c(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc[nH+]c12 ZINC000440633997 947413842 /nfs/dbraw/zinc/41/38/42/947413842.db2.gz FWVWUQBSJVZPJA-IBGZPJMESA-N 1 2 372.428 3.723 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523751743 947586200 /nfs/dbraw/zinc/58/62/00/947586200.db2.gz QOEGIDHBUVMJTK-UHFFFAOYSA-N 1 2 352.463 3.832 20 30 FHEDLO N#Cc1ccc(C2(C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)CC2)cc1 ZINC000186720897 947651821 /nfs/dbraw/zinc/65/18/21/947651821.db2.gz BULODFHEHWZEGR-UHFFFAOYSA-N 1 2 374.488 3.682 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000520523774 948231403 /nfs/dbraw/zinc/23/14/03/948231403.db2.gz GWUWUISYIHEIQB-LIRRHRJNSA-N 1 2 365.880 3.540 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000520523774 948231407 /nfs/dbraw/zinc/23/14/07/948231407.db2.gz GWUWUISYIHEIQB-LIRRHRJNSA-N 1 2 365.880 3.540 20 30 FHEDLO Cc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1C ZINC000507788187 948422488 /nfs/dbraw/zinc/42/24/88/948422488.db2.gz KRESWNWYGLODLM-UHFFFAOYSA-N 1 2 363.461 3.657 20 30 FHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1CC ZINC000512146230 948555930 /nfs/dbraw/zinc/55/59/30/948555930.db2.gz GYSPZTYOXBZGGZ-MRXNPFEDSA-N 1 2 356.466 3.740 20 30 FHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1CC ZINC000512146230 948555939 /nfs/dbraw/zinc/55/59/39/948555939.db2.gz GYSPZTYOXBZGGZ-MRXNPFEDSA-N 1 2 356.466 3.740 20 30 FHEDLO CCCCCc1[nH+]c2ccccc2n1C[C@H](O)CC1(C#N)CCOCC1 ZINC000601955225 567885170 /nfs/dbraw/zinc/88/51/70/567885170.db2.gz USQLWVYEIBMVOS-QGZVFWFLSA-N 1 2 355.482 3.840 20 30 FHEDLO Cc1ccc(C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C(C)C)s1 ZINC000128543468 567943470 /nfs/dbraw/zinc/94/34/70/567943470.db2.gz JVGCQMCCDWVKEH-UHFFFAOYSA-N 1 2 362.520 3.613 20 30 FHEDLO Cc1ccc(C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C(C)C)s1 ZINC000128543468 567943472 /nfs/dbraw/zinc/94/34/72/567943472.db2.gz JVGCQMCCDWVKEH-UHFFFAOYSA-N 1 2 362.520 3.613 20 30 FHEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1F ZINC000481652004 568079817 /nfs/dbraw/zinc/07/98/17/568079817.db2.gz BJARVMZEBUWKNB-UHFFFAOYSA-N 1 2 372.831 3.700 20 30 FHEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000481692303 568088981 /nfs/dbraw/zinc/08/89/81/568088981.db2.gz JWCPYFMIOCPMAF-FFZOFVMBSA-N 1 2 352.409 3.837 20 30 FHEDLO CN(C(=O)NCC1CCC(C#N)CC1)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603436246 568100761 /nfs/dbraw/zinc/10/07/61/568100761.db2.gz OSDZVGHGHOWFBF-JMLCCBQJSA-N 1 2 369.444 3.610 20 30 FHEDLO CC[N@H+](CCCNC(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000481898811 568153857 /nfs/dbraw/zinc/15/38/57/568153857.db2.gz HSFSDACJANHNHA-UHFFFAOYSA-N 1 2 353.491 3.683 20 30 FHEDLO CC[N@@H+](CCCNC(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000481898811 568153860 /nfs/dbraw/zinc/15/38/60/568153860.db2.gz HSFSDACJANHNHA-UHFFFAOYSA-N 1 2 353.491 3.683 20 30 FHEDLO CN(C(=O)C[N@H+](Cc1ccc(F)cc1F)C1CC1)C1(C#N)CCCCC1 ZINC000603855498 568167870 /nfs/dbraw/zinc/16/78/70/568167870.db2.gz WECAKQKAYKYBBZ-UHFFFAOYSA-N 1 2 361.436 3.614 20 30 FHEDLO CN(C(=O)C[N@@H+](Cc1ccc(F)cc1F)C1CC1)C1(C#N)CCCCC1 ZINC000603855498 568167871 /nfs/dbraw/zinc/16/78/71/568167871.db2.gz WECAKQKAYKYBBZ-UHFFFAOYSA-N 1 2 361.436 3.614 20 30 FHEDLO N#Cc1ccc(F)c(CN2CC[NH+](CCOc3ccccc3Cl)CC2)c1 ZINC000024895662 568233331 /nfs/dbraw/zinc/23/33/31/568233331.db2.gz SSFZJQJBTQZCIS-UHFFFAOYSA-N 1 2 373.859 3.547 20 30 FHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000303680832 568272161 /nfs/dbraw/zinc/27/21/61/568272161.db2.gz RTXFQCXJBBGYNN-KRWDZBQOSA-N 1 2 350.915 3.631 20 30 FHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000303680832 568272162 /nfs/dbraw/zinc/27/21/62/568272162.db2.gz RTXFQCXJBBGYNN-KRWDZBQOSA-N 1 2 350.915 3.631 20 30 FHEDLO C[C@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)Cn1cc[nH+]c1 ZINC000181986489 568341867 /nfs/dbraw/zinc/34/18/67/568341867.db2.gz MYGXTQAPPLMTRW-MRXNPFEDSA-N 1 2 360.417 3.613 20 30 FHEDLO COCCn1cc2c(n1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1Cl)CCC2 ZINC000365296648 568448520 /nfs/dbraw/zinc/44/85/20/568448520.db2.gz DIWKDPMUCRCOGQ-SCLBCKFNSA-N 1 2 358.873 3.783 20 30 FHEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(N)cc1Cl ZINC000823958322 609472504 /nfs/dbraw/zinc/47/25/04/609472504.db2.gz JBJYPIYICRTEEH-UHFFFAOYSA-N 1 2 362.224 3.592 20 30 FHEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccccc2CC)CC1 ZINC001165036166 721873134 /nfs/dbraw/zinc/87/31/34/721873134.db2.gz ZMHXHJFGFGRHEL-UHFFFAOYSA-N 1 2 358.873 3.793 20 30 FHEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)c(OC)c1 ZINC000437144746 945066256 /nfs/dbraw/zinc/06/62/56/945066256.db2.gz ROBIEOMRXSFHOF-UHFFFAOYSA-N 1 2 362.376 3.809 20 30 FHEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)c(OC)c1 ZINC000437144746 945066264 /nfs/dbraw/zinc/06/62/64/945066264.db2.gz ROBIEOMRXSFHOF-UHFFFAOYSA-N 1 2 362.376 3.809 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000583063131 937092400 /nfs/dbraw/zinc/09/24/00/937092400.db2.gz VVJUYZXTGAJNAJ-UHFFFAOYSA-N 1 2 374.488 3.734 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000583063131 937092403 /nfs/dbraw/zinc/09/24/03/937092403.db2.gz VVJUYZXTGAJNAJ-UHFFFAOYSA-N 1 2 374.488 3.734 20 30 FHEDLO C=CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000108989564 927866020 /nfs/dbraw/zinc/86/60/20/927866020.db2.gz AQYUEZMRJMVIPD-UHFFFAOYSA-N 1 2 351.381 3.506 20 30 FHEDLO N#CC[C@@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000520892669 928146608 /nfs/dbraw/zinc/14/66/08/928146608.db2.gz GVUMNOUKFIKTRK-IBGZPJMESA-N 1 2 358.445 3.635 20 30 FHEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000430219267 928252424 /nfs/dbraw/zinc/25/24/24/928252424.db2.gz OJJQPCIKCALELH-ACJLOTCBSA-N 1 2 363.383 3.878 20 30 FHEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000430219267 928252431 /nfs/dbraw/zinc/25/24/31/928252431.db2.gz OJJQPCIKCALELH-ACJLOTCBSA-N 1 2 363.383 3.878 20 30 FHEDLO COc1ccc(O)c(/C=N\C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000254968258 928584632 /nfs/dbraw/zinc/58/46/32/928584632.db2.gz HIWQLQTUOFVINC-JCMHNJIXSA-N 1 2 353.466 3.555 20 30 FHEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cnn1-c1ccc(C#N)cc1 ZINC000255028508 929339824 /nfs/dbraw/zinc/33/98/24/929339824.db2.gz HYQFOUMYFHDATJ-HJWRWDBZSA-N 1 2 367.412 3.905 20 30 FHEDLO C[C@@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000610322056 929925753 /nfs/dbraw/zinc/92/57/53/929925753.db2.gz GLLMJNYLJMMSOD-OXQOHEQNSA-N 1 2 373.460 3.636 20 30 FHEDLO Clc1cnc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000588388764 931162422 /nfs/dbraw/zinc/16/24/22/931162422.db2.gz HFKQDDYRLAIKNC-UHFFFAOYSA-N 1 2 366.248 3.776 20 30 FHEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3Cn3cc[nH+]c3)c2)cc1 ZINC000177815576 931178461 /nfs/dbraw/zinc/17/84/61/931178461.db2.gz KWDQIHIQJBHNJX-IBGZPJMESA-N 1 2 372.428 3.852 20 30 FHEDLO N#Cc1csc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)n1 ZINC000581639368 932364543 /nfs/dbraw/zinc/36/45/43/932364543.db2.gz KQNSNADFSMEXKO-UHFFFAOYSA-N 1 2 363.486 3.989 20 30 FHEDLO N#Cc1csc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)n1 ZINC000581639368 932364547 /nfs/dbraw/zinc/36/45/47/932364547.db2.gz KQNSNADFSMEXKO-UHFFFAOYSA-N 1 2 363.486 3.989 20 30 FHEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000157376217 932399965 /nfs/dbraw/zinc/39/99/65/932399965.db2.gz YPINJWQLWRIQTH-UHFFFAOYSA-N 1 2 369.852 3.694 20 30 FHEDLO C[C@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(C#N)cc1 ZINC000581836777 932720535 /nfs/dbraw/zinc/72/05/35/932720535.db2.gz NGTGWNOWTITCOK-JTQLQIEISA-N 1 2 358.323 3.876 20 30 FHEDLO CCC[N@H+](CC(=O)OC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000471815090 933017781 /nfs/dbraw/zinc/01/77/81/933017781.db2.gz HIUSWVOLOGAZAX-UHFFFAOYSA-N 1 2 352.434 3.522 20 30 FHEDLO CCC[N@@H+](CC(=O)OC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000471815090 933017788 /nfs/dbraw/zinc/01/77/88/933017788.db2.gz HIUSWVOLOGAZAX-UHFFFAOYSA-N 1 2 352.434 3.522 20 30 FHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000610584811 933428590 /nfs/dbraw/zinc/42/85/90/933428590.db2.gz CYWMCQSQDXAUJD-GOSISDBHSA-N 1 2 363.396 3.536 20 30 FHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cc4c(s3)SCC(=O)N4)n2c1 ZINC000588450152 933492817 /nfs/dbraw/zinc/49/28/17/933492817.db2.gz DCQSFFNRGFYZGR-ARJAWSKDSA-N 1 2 355.444 3.645 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(F)c1 ZINC000548423933 933605579 /nfs/dbraw/zinc/60/55/79/933605579.db2.gz ZFOMQGAYYWJBMD-UYAOXDASSA-N 1 2 352.409 3.884 20 30 FHEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(F)c1 ZINC000548423933 933605582 /nfs/dbraw/zinc/60/55/82/933605582.db2.gz ZFOMQGAYYWJBMD-UYAOXDASSA-N 1 2 352.409 3.884 20 30 FHEDLO C=CCOc1ccc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1Cl ZINC000092078730 933839760 /nfs/dbraw/zinc/83/97/60/933839760.db2.gz QWMNVGXQSXYVEF-MRXNPFEDSA-N 1 2 364.917 3.590 20 30 FHEDLO Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000178398096 933869282 /nfs/dbraw/zinc/86/92/82/933869282.db2.gz RPOFMHGEJPKBDG-UHFFFAOYSA-N 1 2 363.442 3.657 20 30 FHEDLO CCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)cc(Br)c1OC ZINC000091983422 933932773 /nfs/dbraw/zinc/93/27/73/933932773.db2.gz AVVHAYPSQOGWDW-LBPRGKRZSA-N 1 2 355.276 3.838 20 30 FHEDLO CCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)cc(Br)c1OC ZINC000091983422 933932776 /nfs/dbraw/zinc/93/27/76/933932776.db2.gz AVVHAYPSQOGWDW-LBPRGKRZSA-N 1 2 355.276 3.838 20 30 FHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nccc(C)c2C#N)CC1 ZINC000561769006 934078136 /nfs/dbraw/zinc/07/81/36/934078136.db2.gz CRAOHGDGYSTQEO-LJQANCHMSA-N 1 2 356.420 3.813 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(OCC(C)C)CC2)c1C#N ZINC000091067169 934153639 /nfs/dbraw/zinc/15/36/39/934153639.db2.gz OJJOOUZFYIWABV-UHFFFAOYSA-N 1 2 352.482 3.689 20 30 FHEDLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510944035 934207175 /nfs/dbraw/zinc/20/71/75/934207175.db2.gz DFAAHOVJKAVQKM-KRWDZBQOSA-N 1 2 365.452 3.608 20 30 FHEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000510949475 934213727 /nfs/dbraw/zinc/21/37/27/934213727.db2.gz RIYZCEWUPGEGJF-NEPJUHHUSA-N 1 2 372.271 3.887 20 30 FHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535839417 934576177 /nfs/dbraw/zinc/57/61/77/934576177.db2.gz ZJMDWMJZVFNMOD-QZTJIDSGSA-N 1 2 372.831 3.918 20 30 FHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535839417 934576182 /nfs/dbraw/zinc/57/61/82/934576182.db2.gz ZJMDWMJZVFNMOD-QZTJIDSGSA-N 1 2 372.831 3.918 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)c(C#N)c1C ZINC000610967678 934663704 /nfs/dbraw/zinc/66/37/04/934663704.db2.gz QGVWIKHOPWICQP-FQEVSTJZSA-N 1 2 351.450 3.962 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(C)C)c(C#N)c1C ZINC000610967678 934663706 /nfs/dbraw/zinc/66/37/06/934663706.db2.gz QGVWIKHOPWICQP-FQEVSTJZSA-N 1 2 351.450 3.962 20 30 FHEDLO COc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1C#N ZINC000610993813 934729125 /nfs/dbraw/zinc/72/91/25/934729125.db2.gz JNIROLIZKSCLFM-VXGBXAGGSA-N 1 2 352.278 3.739 20 30 FHEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000176288085 934742593 /nfs/dbraw/zinc/74/25/93/934742593.db2.gz YMXWGXSLQXTOGX-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000176288085 934742595 /nfs/dbraw/zinc/74/25/95/934742595.db2.gz YMXWGXSLQXTOGX-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO COc1ccc(C#N)cc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000119663329 934999835 /nfs/dbraw/zinc/99/98/35/934999835.db2.gz PMFMTMAWMSIRBP-UHFFFAOYSA-N 1 2 355.413 3.555 20 30 FHEDLO COc1ccc(C#N)cc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000119663329 934999838 /nfs/dbraw/zinc/99/98/38/934999838.db2.gz PMFMTMAWMSIRBP-UHFFFAOYSA-N 1 2 355.413 3.555 20 30 FHEDLO Cc1cc(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)n1Cc1ccco1 ZINC000176312243 935060071 /nfs/dbraw/zinc/06/00/71/935060071.db2.gz ZLXHQTWVLUFCKN-UHFFFAOYSA-N 1 2 361.445 3.933 20 30 FHEDLO Cc1cc(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(C)n1Cc1ccco1 ZINC000176312243 935060078 /nfs/dbraw/zinc/06/00/78/935060078.db2.gz ZLXHQTWVLUFCKN-UHFFFAOYSA-N 1 2 361.445 3.933 20 30 FHEDLO COC(=O)c1ccc(F)c(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 ZINC000611574159 935221697 /nfs/dbraw/zinc/22/16/97/935221697.db2.gz KGCXCQTUNUSDQQ-QWRGUYRKSA-N 1 2 373.268 3.785 20 30 FHEDLO COC(=O)c1ccc(F)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000611574158 935221959 /nfs/dbraw/zinc/22/19/59/935221959.db2.gz KGCXCQTUNUSDQQ-PHIMTYICSA-N 1 2 373.268 3.785 20 30 FHEDLO COC(=O)c1ccc(F)c(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000611574158 935221963 /nfs/dbraw/zinc/22/19/63/935221963.db2.gz KGCXCQTUNUSDQQ-PHIMTYICSA-N 1 2 373.268 3.785 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)ccc1Cl ZINC000582091523 935241553 /nfs/dbraw/zinc/24/15/53/935241553.db2.gz WQAPWVBPZIQIQM-CQSZACIVSA-N 1 2 369.843 3.872 20 30 FHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)ccc1Cl ZINC000582091523 935241561 /nfs/dbraw/zinc/24/15/61/935241561.db2.gz WQAPWVBPZIQIQM-CQSZACIVSA-N 1 2 369.843 3.872 20 30 FHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000582189000 935387882 /nfs/dbraw/zinc/38/78/82/935387882.db2.gz COGSPCVYZZYUQC-AZUAARDMSA-N 1 2 355.869 3.827 20 30 FHEDLO C#CC[C@@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccccc1 ZINC000277558153 935564610 /nfs/dbraw/zinc/56/46/10/935564610.db2.gz WLYBCZKFNQAZLI-LJQANCHMSA-N 1 2 352.482 3.632 20 30 FHEDLO C=CCC[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000582505527 935783558 /nfs/dbraw/zinc/78/35/58/935783558.db2.gz KYNXDNOXMBOVLB-MRXNPFEDSA-N 1 2 351.372 3.805 20 30 FHEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000582821707 936175700 /nfs/dbraw/zinc/17/57/00/936175700.db2.gz WBSBCBROFXOVCJ-UYAOXDASSA-N 1 2 352.482 3.991 20 30 FHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2ccccc2C#N)[nH+]1 ZINC001167635191 936270046 /nfs/dbraw/zinc/27/00/46/936270046.db2.gz MGZFJOOPAPZGBD-KGONEIDKSA-N 1 2 354.479 3.755 20 30 FHEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(Br)c(C#N)cc1F)CCC2 ZINC000572975047 938298823 /nfs/dbraw/zinc/29/88/23/938298823.db2.gz JFDHVTYYLSAQOQ-LLVKDONJSA-N 1 2 363.234 3.954 20 30 FHEDLO C[N@@H+]1CCc2ncnc(Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2C1 ZINC000507352162 945164342 /nfs/dbraw/zinc/16/43/42/945164342.db2.gz AGSOHLXXAKGOEX-UHFFFAOYSA-N 1 2 357.417 3.872 20 30 FHEDLO C[N@H+]1CCc2ncnc(Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2C1 ZINC000507352162 945164348 /nfs/dbraw/zinc/16/43/48/945164348.db2.gz AGSOHLXXAKGOEX-UHFFFAOYSA-N 1 2 357.417 3.872 20 30 FHEDLO C=C(C)C(=O)NCCCNc1ccc2c(c1)[nH+]cn2-c1ccccc1OC ZINC001167671325 938385360 /nfs/dbraw/zinc/38/53/60/938385360.db2.gz ARDLJSQLIFHMOT-UHFFFAOYSA-N 1 2 364.449 3.528 20 30 FHEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080906691 938707919 /nfs/dbraw/zinc/70/79/19/938707919.db2.gz CZEWICNHGDAABE-OXJNMPFZSA-N 1 2 350.422 3.538 20 30 FHEDLO CC1(C#N)CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000506016703 945201963 /nfs/dbraw/zinc/20/19/63/945201963.db2.gz FSBUJBDCDUTIFZ-HNNXBMFYSA-N 1 2 352.265 3.724 20 30 FHEDLO C=CCn1c(COc2ccccc2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000162214346 938863278 /nfs/dbraw/zinc/86/32/78/938863278.db2.gz QTSBECFJTOBTJP-HZPDHXFCSA-N 1 2 358.511 3.867 20 30 FHEDLO C=CCn1c(COc2ccccc2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000162214346 938863282 /nfs/dbraw/zinc/86/32/82/938863282.db2.gz QTSBECFJTOBTJP-HZPDHXFCSA-N 1 2 358.511 3.867 20 30 FHEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093477802 938933845 /nfs/dbraw/zinc/93/38/45/938933845.db2.gz SKQZTQGMPFXQFL-QFBILLFUSA-N 1 2 353.470 3.562 20 30 FHEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093477802 938933846 /nfs/dbraw/zinc/93/38/46/938933846.db2.gz SKQZTQGMPFXQFL-QFBILLFUSA-N 1 2 353.470 3.562 20 30 FHEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(C4CCCCC4)s3)CC2)nc1 ZINC000535069475 938938053 /nfs/dbraw/zinc/93/80/53/938938053.db2.gz XILKNTHETMJNPD-UHFFFAOYSA-N 1 2 367.522 3.780 20 30 FHEDLO COC(=O)c1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(Br)c1 ZINC000322869080 945265240 /nfs/dbraw/zinc/26/52/40/945265240.db2.gz FMDMFDIKDRFLGU-UHFFFAOYSA-N 1 2 373.250 3.739 20 30 FHEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Br)c1 ZINC000322869080 945265249 /nfs/dbraw/zinc/26/52/49/945265249.db2.gz FMDMFDIKDRFLGU-UHFFFAOYSA-N 1 2 373.250 3.739 20 30 FHEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000375899558 940032921 /nfs/dbraw/zinc/03/29/21/940032921.db2.gz CKOQRIZWMRQZLV-OAHLLOKOSA-N 1 2 368.868 3.764 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1OCc1ccncc1 ZINC000612406790 940051729 /nfs/dbraw/zinc/05/17/29/940051729.db2.gz TYIGTIUWGNSPKK-OAQYLSRUSA-N 1 2 351.450 3.795 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1OCc1ccncc1 ZINC000612406790 940051731 /nfs/dbraw/zinc/05/17/31/940051731.db2.gz TYIGTIUWGNSPKK-OAQYLSRUSA-N 1 2 351.450 3.795 20 30 FHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000065959832 940122219 /nfs/dbraw/zinc/12/22/19/940122219.db2.gz LHWBHEWNLNTPJP-UHFFFAOYSA-N 1 2 365.502 3.704 20 30 FHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000065959832 940122221 /nfs/dbraw/zinc/12/22/21/940122221.db2.gz LHWBHEWNLNTPJP-UHFFFAOYSA-N 1 2 365.502 3.704 20 30 FHEDLO CC1(C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000580044690 940438610 /nfs/dbraw/zinc/43/86/10/940438610.db2.gz NRMAUKKBWRDNMG-IIMJZQEZSA-N 1 2 355.438 3.636 20 30 FHEDLO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000580044690 940438612 /nfs/dbraw/zinc/43/86/12/940438612.db2.gz NRMAUKKBWRDNMG-IIMJZQEZSA-N 1 2 355.438 3.636 20 30 FHEDLO Cc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)c(C)n1-c1ccc(C#N)cc1 ZINC000178071358 940627743 /nfs/dbraw/zinc/62/77/43/940627743.db2.gz SWPNCLBHHPPAET-UHFFFAOYSA-N 1 2 369.428 3.544 20 30 FHEDLO CC(C)(C)c1ccc(C#N)c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000613411337 940681417 /nfs/dbraw/zinc/68/14/17/940681417.db2.gz IJTPDGJRPOQCDL-IBGZPJMESA-N 1 2 364.493 3.736 20 30 FHEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000588148341 941142576 /nfs/dbraw/zinc/14/25/76/941142576.db2.gz OAEOLLSACGYBFT-UHFFFAOYSA-N 1 2 367.415 3.824 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189740796 941269281 /nfs/dbraw/zinc/26/92/81/941269281.db2.gz ALPGAVYJDWMSLI-RTBURBONSA-N 1 2 370.403 3.712 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189740796 941269284 /nfs/dbraw/zinc/26/92/84/941269284.db2.gz ALPGAVYJDWMSLI-RTBURBONSA-N 1 2 370.403 3.712 20 30 FHEDLO NC(=[NH+]OCc1csc(C2CC2)n1)c1ccc(Br)cc1 ZINC000782949722 941325266 /nfs/dbraw/zinc/32/52/66/941325266.db2.gz XIMQOMJKZXLLRV-UHFFFAOYSA-N 1 2 352.257 3.620 20 30 FHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135601246 941501901 /nfs/dbraw/zinc/50/19/01/941501901.db2.gz XOAHAXQHVCKIGD-QGZVFWFLSA-N 1 2 370.522 3.646 20 30 FHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135601246 941501904 /nfs/dbraw/zinc/50/19/04/941501904.db2.gz XOAHAXQHVCKIGD-QGZVFWFLSA-N 1 2 370.522 3.646 20 30 FHEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000513266193 941817080 /nfs/dbraw/zinc/81/70/80/941817080.db2.gz JGTDJOCZJUXQNQ-UWVGGRQHSA-N 1 2 364.783 3.563 20 30 FHEDLO C=C1CC[NH+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000513503529 941967021 /nfs/dbraw/zinc/96/70/21/941967021.db2.gz SUOCCLATSQPDQV-UHFFFAOYSA-N 1 2 360.332 3.697 20 30 FHEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000728711923 941989258 /nfs/dbraw/zinc/98/92/58/941989258.db2.gz QKPVTBZERDXNRT-YWZLYKJASA-N 1 2 364.424 3.729 20 30 FHEDLO N#CCCOCC[NH+]1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000549367101 942057557 /nfs/dbraw/zinc/05/75/57/942057557.db2.gz XZBFWHQVYHIFID-UHFFFAOYSA-N 1 2 373.497 3.602 20 30 FHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420939893 942265119 /nfs/dbraw/zinc/26/51/19/942265119.db2.gz CIUKHFIOXZPJJB-DGCLKSJQSA-N 1 2 357.376 3.760 20 30 FHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420939893 942265121 /nfs/dbraw/zinc/26/51/21/942265121.db2.gz CIUKHFIOXZPJJB-DGCLKSJQSA-N 1 2 357.376 3.760 20 30 FHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420943030 942279501 /nfs/dbraw/zinc/27/95/01/942279501.db2.gz HUGYAFSZPIVCAD-CYBMUJFWSA-N 1 2 371.428 3.905 20 30 FHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420943030 942279505 /nfs/dbraw/zinc/27/95/05/942279505.db2.gz HUGYAFSZPIVCAD-CYBMUJFWSA-N 1 2 371.428 3.905 20 30 FHEDLO C=C(C)COc1cc(C[NH2+]Cc2nccc(C(F)(F)F)n2)ccc1OC ZINC000414507535 942448526 /nfs/dbraw/zinc/44/85/26/942448526.db2.gz PMZJYPIISJTTRM-UHFFFAOYSA-N 1 2 367.371 3.749 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3csc(-c4ncccn4)n3)CC2)cc1 ZINC000502521282 942495685 /nfs/dbraw/zinc/49/56/85/942495685.db2.gz GHEDHLKJAKTRPQ-UHFFFAOYSA-N 1 2 359.458 3.761 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3csc(-c4ncccn4)n3)CC2)cc1 ZINC000502521282 942495688 /nfs/dbraw/zinc/49/56/88/942495688.db2.gz GHEDHLKJAKTRPQ-UHFFFAOYSA-N 1 2 359.458 3.761 20 30 FHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000502541222 942518337 /nfs/dbraw/zinc/51/83/37/942518337.db2.gz RVOSFKPEFHWIGL-UHFFFAOYSA-N 1 2 357.457 3.775 20 30 FHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000502541222 942518342 /nfs/dbraw/zinc/51/83/42/942518342.db2.gz RVOSFKPEFHWIGL-UHFFFAOYSA-N 1 2 357.457 3.775 20 30 FHEDLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000430090461 942884635 /nfs/dbraw/zinc/88/46/35/942884635.db2.gz NUHGVXQNLTUQDO-UGSOOPFHSA-N 1 2 363.383 3.878 20 30 FHEDLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000430090461 942884639 /nfs/dbraw/zinc/88/46/39/942884639.db2.gz NUHGVXQNLTUQDO-UGSOOPFHSA-N 1 2 363.383 3.878 20 30 FHEDLO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000503181020 943030459 /nfs/dbraw/zinc/03/04/59/943030459.db2.gz LDIATLDGOZCJGP-FQEVSTJZSA-N 1 2 373.460 3.949 20 30 FHEDLO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000503181020 943030462 /nfs/dbraw/zinc/03/04/62/943030462.db2.gz LDIATLDGOZCJGP-FQEVSTJZSA-N 1 2 373.460 3.949 20 30 FHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000075300473 943415809 /nfs/dbraw/zinc/41/58/09/943415809.db2.gz GNSJQMSWQCCKNH-YADHBBJMSA-N 1 2 370.456 3.843 20 30 FHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000162454918 943811453 /nfs/dbraw/zinc/81/14/53/943811453.db2.gz NVBWTKCGVBHEQZ-MRXNPFEDSA-N 1 2 358.511 3.501 20 30 FHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000162454918 943811456 /nfs/dbraw/zinc/81/14/56/943811456.db2.gz NVBWTKCGVBHEQZ-MRXNPFEDSA-N 1 2 358.511 3.501 20 30 FHEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)nn1 ZINC000424299047 943827159 /nfs/dbraw/zinc/82/71/59/943827159.db2.gz URKQJANKBGJMET-AWEZNQCLSA-N 1 2 353.253 3.774 20 30 FHEDLO CCCCCCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001270238353 943949954 /nfs/dbraw/zinc/94/99/54/943949954.db2.gz RVRNQSJMGNIEOT-BGYRXZFFSA-N 1 2 350.547 3.981 20 30 FHEDLO CCCCCCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001270238353 943949957 /nfs/dbraw/zinc/94/99/57/943949957.db2.gz RVRNQSJMGNIEOT-BGYRXZFFSA-N 1 2 350.547 3.981 20 30 FHEDLO C=CCCc1ccccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000505057515 944001513 /nfs/dbraw/zinc/00/15/13/944001513.db2.gz JPKBGYKGBKLBCH-UHFFFAOYSA-N 1 2 350.466 3.991 20 30 FHEDLO COc1ccc(Oc2cc(C[NH2+]Cc3nc(C#N)cs3)ccn2)cc1 ZINC000517786197 944628549 /nfs/dbraw/zinc/62/85/49/944628549.db2.gz NRCCYEUFNFECBR-UHFFFAOYSA-N 1 2 352.419 3.500 20 30 FHEDLO CSCC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnc2ccccn21 ZINC000439454147 944639714 /nfs/dbraw/zinc/63/97/14/944639714.db2.gz QRDGEPPQFROESA-MRXNPFEDSA-N 1 2 371.897 3.838 20 30 FHEDLO Cc1cccc2c1C[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)CC2 ZINC000759878754 944705222 /nfs/dbraw/zinc/70/52/22/944705222.db2.gz HFGJWKCYJKMPKN-INIZCTEOSA-N 1 2 361.470 3.839 20 30 FHEDLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330133478 945370358 /nfs/dbraw/zinc/37/03/58/945370358.db2.gz REGJXGFAOUTILU-ZRGWGRIASA-N 1 2 364.511 3.655 20 30 FHEDLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330133478 945370368 /nfs/dbraw/zinc/37/03/68/945370368.db2.gz REGJXGFAOUTILU-ZRGWGRIASA-N 1 2 364.511 3.655 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000330161154 945382269 /nfs/dbraw/zinc/38/22/69/945382269.db2.gz SSMACMMUJUOIPU-NBHGPNQESA-N 1 2 360.498 3.536 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000330161154 945382277 /nfs/dbraw/zinc/38/22/77/945382277.db2.gz SSMACMMUJUOIPU-NBHGPNQESA-N 1 2 360.498 3.536 20 30 FHEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[C@@H]1c1ccccc1 ZINC000330201160 945400520 /nfs/dbraw/zinc/40/05/20/945400520.db2.gz XJDQSFKYNHBASJ-QRQLOZEOSA-N 1 2 352.482 3.628 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000519484767 945470612 /nfs/dbraw/zinc/47/06/12/945470612.db2.gz AZJJIEDIHMQBRP-UHFFFAOYSA-N 1 2 364.493 3.622 20 30 FHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC000281022091 945495746 /nfs/dbraw/zinc/49/57/46/945495746.db2.gz SIDCQEWDHOAPKK-UHFFFAOYSA-N 1 2 357.339 3.562 20 30 FHEDLO Cc1cc2cccnc2c(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330329873 945568688 /nfs/dbraw/zinc/56/86/88/945568688.db2.gz MWLZECMHGMFEOI-CRAIPNDOSA-N 1 2 365.437 3.523 20 30 FHEDLO Cc1oc2ccccc2c1CC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330331834 945599098 /nfs/dbraw/zinc/59/90/98/945599098.db2.gz OJVIVFHCEBWSFB-AUUYWEPGSA-N 1 2 353.422 3.894 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000027775327 945760590 /nfs/dbraw/zinc/76/05/90/945760590.db2.gz DOYOZIBTEKBAJP-UHFFFAOYSA-N 1 2 369.421 3.620 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000027775327 945760596 /nfs/dbraw/zinc/76/05/96/945760596.db2.gz DOYOZIBTEKBAJP-UHFFFAOYSA-N 1 2 369.421 3.620 20 30 FHEDLO C=CC[N@H+](CC(=O)N1CCSc2ccccc21)Cc1cccc(C#N)c1 ZINC000519870725 945844005 /nfs/dbraw/zinc/84/40/05/945844005.db2.gz SVGVXCXOAHZFCG-UHFFFAOYSA-N 1 2 363.486 3.685 20 30 FHEDLO C=CC[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1cccc(C#N)c1 ZINC000519870725 945844012 /nfs/dbraw/zinc/84/40/12/945844012.db2.gz SVGVXCXOAHZFCG-UHFFFAOYSA-N 1 2 363.486 3.685 20 30 FHEDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000519907509 945872058 /nfs/dbraw/zinc/87/20/58/945872058.db2.gz CSLYMQFMNXCVIZ-YWZLYKJASA-N 1 2 363.461 3.555 20 30 FHEDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000519907509 945872070 /nfs/dbraw/zinc/87/20/70/945872070.db2.gz CSLYMQFMNXCVIZ-YWZLYKJASA-N 1 2 363.461 3.555 20 30 FHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441056694 946152110 /nfs/dbraw/zinc/15/21/10/946152110.db2.gz PNUSVMOCARNBEY-TZQQIIETSA-N 1 2 357.473 3.503 20 30 FHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000441056694 946152118 /nfs/dbraw/zinc/15/21/18/946152118.db2.gz PNUSVMOCARNBEY-TZQQIIETSA-N 1 2 357.473 3.503 20 30 FHEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)c1ccsc1 ZINC000441159171 946268610 /nfs/dbraw/zinc/26/86/10/946268610.db2.gz RQBOITNQWISUBM-UHFFFAOYSA-N 1 2 358.894 3.647 20 30 FHEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccccc1SCC#N)CC2 ZINC000595656504 946328340 /nfs/dbraw/zinc/32/83/40/946328340.db2.gz APTGNTSIDVTKSH-UHFFFAOYSA-N 1 2 351.475 3.608 20 30 FHEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccccc1SCC#N)CC2 ZINC000595656504 946328358 /nfs/dbraw/zinc/32/83/58/946328358.db2.gz APTGNTSIDVTKSH-UHFFFAOYSA-N 1 2 351.475 3.608 20 30 FHEDLO N#CC[C@@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000475106685 946408146 /nfs/dbraw/zinc/40/81/46/946408146.db2.gz CKVIKZXOMUKEOB-IBGZPJMESA-N 1 2 374.444 3.988 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000186499672 946409369 /nfs/dbraw/zinc/40/93/69/946409369.db2.gz WVDORQMTQLYWMC-UHFFFAOYSA-N 1 2 367.880 3.740 20 30 FHEDLO N#CC[C@@H](CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000475118319 946413949 /nfs/dbraw/zinc/41/39/49/946413949.db2.gz NDYOTTZDINSQHW-FQEVSTJZSA-N 1 2 363.461 3.545 20 30 FHEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)Cc1ccccc1N1CCOCC1 ZINC000186511317 946443694 /nfs/dbraw/zinc/44/36/94/946443694.db2.gz NVVMUGWYAVBFPP-UHFFFAOYSA-N 1 2 355.869 3.680 20 30 FHEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)Cc1ccccc1N1CCOCC1 ZINC000186511317 946443700 /nfs/dbraw/zinc/44/37/00/946443700.db2.gz NVVMUGWYAVBFPP-UHFFFAOYSA-N 1 2 355.869 3.680 20 30 FHEDLO N#Cc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc2ccccc12 ZINC000609890650 946491422 /nfs/dbraw/zinc/49/14/22/946491422.db2.gz HVFGBVSJHCRVAN-OAQYLSRUSA-N 1 2 358.445 3.592 20 30 FHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000186203034 946600515 /nfs/dbraw/zinc/60/05/15/946600515.db2.gz WIQBJBXKTPSKGK-UHFFFAOYSA-N 1 2 371.843 3.617 20 30 FHEDLO C=CCOc1ccc(C[N@H+]2CCN(CC)[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000475346221 946927156 /nfs/dbraw/zinc/92/71/56/946927156.db2.gz BITZXZJADUSNDO-KRWDZBQOSA-N 1 2 360.889 3.507 20 30 FHEDLO C=CCOc1ccc(C[N@@H+]2CCN(CC)[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000475346221 946927162 /nfs/dbraw/zinc/92/71/62/946927162.db2.gz BITZXZJADUSNDO-KRWDZBQOSA-N 1 2 360.889 3.507 20 30 FHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000475352055 946929760 /nfs/dbraw/zinc/92/97/60/946929760.db2.gz HIUPOCFIYOEJFE-ZOXCZHJPSA-N 1 2 352.869 3.631 20 30 FHEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000127297036 946934011 /nfs/dbraw/zinc/93/40/11/946934011.db2.gz AFIJTVMFJQFVSF-MRVPVSSYSA-N 1 2 371.268 3.575 20 30 FHEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000127297036 946934015 /nfs/dbraw/zinc/93/40/15/946934015.db2.gz AFIJTVMFJQFVSF-MRVPVSSYSA-N 1 2 371.268 3.575 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2coc(C3CCCCC3)n2)CCO1 ZINC000328771991 947021148 /nfs/dbraw/zinc/02/11/48/947021148.db2.gz RKSROHUTSLPTOZ-YOEHRIQHSA-N 1 2 358.442 3.681 20 30 FHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Br)o3)CC2)cc1 ZINC000475423959 947064892 /nfs/dbraw/zinc/06/48/92/947064892.db2.gz MGTOYQTXUMMYDB-UHFFFAOYSA-N 1 2 361.239 3.957 20 30 FHEDLO Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000328873810 947077820 /nfs/dbraw/zinc/07/78/20/947077820.db2.gz RFZQMTQCMZSABU-UHFFFAOYSA-N 1 2 367.478 3.774 20 30 FHEDLO Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000328873810 947077829 /nfs/dbraw/zinc/07/78/29/947077829.db2.gz RFZQMTQCMZSABU-UHFFFAOYSA-N 1 2 367.478 3.774 20 30 FHEDLO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000328873810 947077838 /nfs/dbraw/zinc/07/78/38/947077838.db2.gz RFZQMTQCMZSABU-UHFFFAOYSA-N 1 2 367.478 3.774 20 30 FHEDLO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000328873810 947077846 /nfs/dbraw/zinc/07/78/46/947077846.db2.gz RFZQMTQCMZSABU-UHFFFAOYSA-N 1 2 367.478 3.774 20 30 FHEDLO COc1cc(NC2CC[NH+](Cc3cccc(F)c3C#N)CC2)cc(OC)c1 ZINC000428376436 947192290 /nfs/dbraw/zinc/19/22/90/947192290.db2.gz DXAWWZYCOYSJHS-UHFFFAOYSA-N 1 2 369.440 3.791 20 30 FHEDLO CCOc1ccccc1C[N@@H+]1CCN(c2ncc(C#N)cc2Cl)[C@H](C)C1 ZINC000440665338 947567108 /nfs/dbraw/zinc/56/71/08/947567108.db2.gz FVJRIIPXVUXSKR-OAHLLOKOSA-N 1 2 370.884 3.716 20 30 FHEDLO CCOc1ccccc1C[N@H+]1CCN(c2ncc(C#N)cc2Cl)[C@H](C)C1 ZINC000440665338 947567113 /nfs/dbraw/zinc/56/71/13/947567113.db2.gz FVJRIIPXVUXSKR-OAHLLOKOSA-N 1 2 370.884 3.716 20 30 FHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000893605833 948014439 /nfs/dbraw/zinc/01/44/39/948014439.db2.gz KMPJTEPTZLWBSV-INIZCTEOSA-N 1 2 361.486 3.620 20 30 FHEDLO Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000507774310 948223549 /nfs/dbraw/zinc/22/35/49/948223549.db2.gz XBUBHJRSABRJHU-UHFFFAOYSA-N 1 2 374.444 3.960 20 30 FHEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985954 948266448 /nfs/dbraw/zinc/26/64/48/948266448.db2.gz NFNJESLKSUYEPQ-UHFFFAOYSA-N 1 2 364.424 3.909 20 30 FHEDLO C[C@H](c1cccc(NC(=O)Nc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000520552950 948275740 /nfs/dbraw/zinc/27/57/40/948275740.db2.gz SIMVPVPSMXKLGZ-OAHLLOKOSA-N 1 2 350.422 3.595 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000017843281 220218711 /nfs/dbraw/zinc/21/87/11/220218711.db2.gz XFOQGXBDIARGIX-UHFFFAOYSA-N 1 2 374.271 3.823 20 30 FHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CCF)CC1 ZINC000602946672 568017024 /nfs/dbraw/zinc/01/70/24/568017024.db2.gz BMNLLTAVWKLBCT-HNNXBMFYSA-N 1 2 363.502 3.948 20 30 FHEDLO CN(C)c1[nH+]ccc2cc(NC(=O)N(CCC#N)Cc3ccco3)ccc21 ZINC000603021023 568052463 /nfs/dbraw/zinc/05/24/63/568052463.db2.gz IZDYEVVZJLNKHF-UHFFFAOYSA-N 1 2 363.421 3.842 20 30 FHEDLO CN(C(=O)NCC1CCC(C#N)CC1)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603436247 568100735 /nfs/dbraw/zinc/10/07/35/568100735.db2.gz OSDZVGHGHOWFBF-JTTJXQCZSA-N 1 2 369.444 3.610 20 30 FHEDLO N#Cc1cc(F)c(NCCc2[nH]c3ccccc3[nH+]2)cc1Br ZINC000569051157 568282152 /nfs/dbraw/zinc/28/21/52/568282152.db2.gz NVBPGEPSVMOAGF-UHFFFAOYSA-N 1 2 359.202 3.991 20 30 FHEDLO Cc1cc[nH+]cc1N1CCN(c2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000541995316 568390142 /nfs/dbraw/zinc/39/01/42/568390142.db2.gz NGKFFSUFGSFFHC-UHFFFAOYSA-N 1 2 361.424 3.584 20 30 FHEDLO Cc1cc(N2C[C@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000569571569 568408082 /nfs/dbraw/zinc/40/80/82/568408082.db2.gz OHKUSVILVWZVGS-MOPGFXCFSA-N 1 2 363.461 3.823 20 30 FHEDLO C=CC[NH+]1CCN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CC1 ZINC001165031297 721867886 /nfs/dbraw/zinc/86/78/86/721867886.db2.gz CDLMSVLOLBDGEE-UHFFFAOYSA-N 1 2 373.234 3.790 20 30 FHEDLO COCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccco1 ZINC000583137545 937158770 /nfs/dbraw/zinc/15/87/70/937158770.db2.gz OPMGOVMBOBUCKD-UHFFFAOYSA-N 1 2 353.340 3.678 20 30 FHEDLO COCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccco1 ZINC000583137545 937158771 /nfs/dbraw/zinc/15/87/71/937158771.db2.gz OPMGOVMBOBUCKD-UHFFFAOYSA-N 1 2 353.340 3.678 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000187011231 927838008 /nfs/dbraw/zinc/83/80/08/927838008.db2.gz YXZOZQTUFBQNPP-UHFFFAOYSA-N 1 2 359.901 3.873 20 30 FHEDLO N#CC[C@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000520892670 928146558 /nfs/dbraw/zinc/14/65/58/928146558.db2.gz GVUMNOUKFIKTRK-LJQANCHMSA-N 1 2 358.445 3.635 20 30 FHEDLO C=CCN(CC[N@H+](Cc1cc(C)no1)Cc1ccccc1)C(=O)OCC ZINC001209021306 929077959 /nfs/dbraw/zinc/07/79/59/929077959.db2.gz WNTBEGPTLMDUQT-UHFFFAOYSA-N 1 2 357.454 3.630 20 30 FHEDLO C=CCN(CC[N@@H+](Cc1cc(C)no1)Cc1ccccc1)C(=O)OCC ZINC001209021306 929077968 /nfs/dbraw/zinc/07/79/68/929077968.db2.gz WNTBEGPTLMDUQT-UHFFFAOYSA-N 1 2 357.454 3.630 20 30 FHEDLO Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728273170 929932850 /nfs/dbraw/zinc/93/28/50/929932850.db2.gz NUCOCSMKNBPKDT-UHFFFAOYSA-N 1 2 373.460 3.709 20 30 FHEDLO C[C@@H](c1cccc(Br)c1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000580028326 929944593 /nfs/dbraw/zinc/94/45/93/929944593.db2.gz VJKZYTSPIOFYEI-AWEZNQCLSA-N 1 2 371.282 3.599 20 30 FHEDLO C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1cccc(C#N)c1 ZINC000610360331 930123887 /nfs/dbraw/zinc/12/38/87/930123887.db2.gz VMEPIMMKOLGIKR-UZLBHIALSA-N 1 2 365.502 3.526 20 30 FHEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1ccncc1 ZINC000536010777 937402662 /nfs/dbraw/zinc/40/26/62/937402662.db2.gz CZPCDAZBRXQJQQ-UHFFFAOYSA-N 1 2 353.451 3.530 20 30 FHEDLO C[C@H]1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000247305355 931147615 /nfs/dbraw/zinc/14/76/15/931147615.db2.gz FOFSLXLPNRCOOP-YVEFUNNKSA-N 1 2 353.376 3.669 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000580786252 931147765 /nfs/dbraw/zinc/14/77/65/931147765.db2.gz OCQYKUSCOAKQAE-QWHCGFSZSA-N 1 2 363.377 3.928 20 30 FHEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001167434817 931156521 /nfs/dbraw/zinc/15/65/21/931156521.db2.gz ZICARYBZRGWETD-MRXNPFEDSA-N 1 2 358.265 3.812 20 30 FHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156793026 931527258 /nfs/dbraw/zinc/52/72/58/931527258.db2.gz ZYWRTJYCQMNEIE-MGPUTAFESA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156793026 931527262 /nfs/dbraw/zinc/52/72/62/931527262.db2.gz ZYWRTJYCQMNEIE-MGPUTAFESA-N 1 2 372.465 3.554 20 30 FHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000581223494 931703267 /nfs/dbraw/zinc/70/32/67/931703267.db2.gz RLHQKFWRSSKMPZ-SECBINFHSA-N 1 2 358.414 3.870 20 30 FHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000581223494 931703279 /nfs/dbraw/zinc/70/32/79/931703279.db2.gz RLHQKFWRSSKMPZ-SECBINFHSA-N 1 2 358.414 3.870 20 30 FHEDLO Cn1ccnc1COc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255294096 931869789 /nfs/dbraw/zinc/86/97/89/931869789.db2.gz APRJQVFCTXUUGF-YFHOEESVSA-N 1 2 358.401 3.543 20 30 FHEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000157126173 931884369 /nfs/dbraw/zinc/88/43/69/931884369.db2.gz ZANKJDRZKHXWLL-CWTRNNRKSA-N 1 2 355.413 3.929 20 30 FHEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000157126173 931884377 /nfs/dbraw/zinc/88/43/77/931884377.db2.gz ZANKJDRZKHXWLL-CWTRNNRKSA-N 1 2 355.413 3.929 20 30 FHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000684270758 932132834 /nfs/dbraw/zinc/13/28/34/932132834.db2.gz VKQGSLMVPDHCNL-UHFFFAOYSA-N 1 2 362.477 3.973 20 30 FHEDLO N#Cc1ccccc1-c1ccc(C[NH2+]C2(c3ncccn3)CCOCC2)cc1 ZINC000933342422 932353765 /nfs/dbraw/zinc/35/37/65/932353765.db2.gz YIHUBKLACRJDCQ-UHFFFAOYSA-N 1 2 370.456 3.811 20 30 FHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H](C)c2ccc(F)cn2)[nH+]1 ZINC001167479734 932536275 /nfs/dbraw/zinc/53/62/75/932536275.db2.gz SJRCAEPUERFQBD-JVZQHKRKSA-N 1 2 362.474 3.978 20 30 FHEDLO O=C(Nc1cccc2c1CN(c1nccs1)C2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328882874 933097216 /nfs/dbraw/zinc/09/72/16/933097216.db2.gz MBAXMRGJALNGRU-CYBMUJFWSA-N 1 2 365.462 3.710 20 30 FHEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510619896 933303009 /nfs/dbraw/zinc/30/30/09/933303009.db2.gz XLWHUZWMELRICB-QFIPXVFZSA-N 1 2 361.489 3.662 20 30 FHEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510619896 933303022 /nfs/dbraw/zinc/30/30/22/933303022.db2.gz XLWHUZWMELRICB-QFIPXVFZSA-N 1 2 361.489 3.662 20 30 FHEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cs1 ZINC000891794174 933305165 /nfs/dbraw/zinc/30/51/65/933305165.db2.gz WTLRABLFHZKYLK-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cs1 ZINC000891794174 933305176 /nfs/dbraw/zinc/30/51/76/933305176.db2.gz WTLRABLFHZKYLK-UHFFFAOYSA-N 1 2 359.882 3.621 20 30 FHEDLO C=C(C)COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)ccc1OC ZINC000091916449 933704955 /nfs/dbraw/zinc/70/49/55/933704955.db2.gz PMJTVFGGKLJLMR-UHFFFAOYSA-N 1 2 354.450 3.721 20 30 FHEDLO C=C(C)COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)ccc1OC ZINC000091916449 933704960 /nfs/dbraw/zinc/70/49/60/933704960.db2.gz PMJTVFGGKLJLMR-UHFFFAOYSA-N 1 2 354.450 3.721 20 30 FHEDLO Cc1nc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)sc1C ZINC000176124204 933748998 /nfs/dbraw/zinc/74/89/98/933748998.db2.gz CUPLCRMKEJAACQ-UHFFFAOYSA-N 1 2 368.462 3.571 20 30 FHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535839416 934576306 /nfs/dbraw/zinc/57/63/06/934576306.db2.gz ZJMDWMJZVFNMOD-MSOLQXFVSA-N 1 2 372.831 3.918 20 30 FHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535839416 934576310 /nfs/dbraw/zinc/57/63/10/934576310.db2.gz ZJMDWMJZVFNMOD-MSOLQXFVSA-N 1 2 372.831 3.918 20 30 FHEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610905931 934609331 /nfs/dbraw/zinc/60/93/31/934609331.db2.gz ZDEHZGCMJZTIJJ-LJQANCHMSA-N 1 2 359.433 3.706 20 30 FHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610993929 934727739 /nfs/dbraw/zinc/72/77/39/934727739.db2.gz OEAPAPVEDRIYQK-FQEVSTJZSA-N 1 2 356.420 3.500 20 30 FHEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516637751 945078476 /nfs/dbraw/zinc/07/84/76/945078476.db2.gz HMQANIHIPBFSNC-OAHLLOKOSA-N 1 2 361.405 3.757 20 30 FHEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000134963159 935252248 /nfs/dbraw/zinc/25/22/48/935252248.db2.gz MDDPFEKROANJNB-UHFFFAOYSA-N 1 2 352.865 3.586 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511075430 935284842 /nfs/dbraw/zinc/28/48/42/935284842.db2.gz YTHCRCVUWMFABT-IBGZPJMESA-N 1 2 365.880 3.746 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511075430 935284845 /nfs/dbraw/zinc/28/48/45/935284845.db2.gz YTHCRCVUWMFABT-IBGZPJMESA-N 1 2 365.880 3.746 20 30 FHEDLO Cc1csc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C#N ZINC000582494800 935777795 /nfs/dbraw/zinc/77/77/95/935777795.db2.gz JUYBBZZARWPJBV-AWEZNQCLSA-N 1 2 369.494 3.873 20 30 FHEDLO C=C(C)[C@@H]([NH2+]Cc1cc(=O)n2c(C)csc2n1)c1ccc(F)c(F)c1 ZINC000187767723 936091029 /nfs/dbraw/zinc/09/10/29/936091029.db2.gz FEZHFKKVSYUTFF-QGZVFWFLSA-N 1 2 361.417 3.750 20 30 FHEDLO CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccccn1 ZINC000119796490 936152025 /nfs/dbraw/zinc/15/20/25/936152025.db2.gz IFDFHTZSZXRHEC-INIZCTEOSA-N 1 2 368.506 3.936 20 30 FHEDLO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccccn1 ZINC000119796490 936152028 /nfs/dbraw/zinc/15/20/28/936152028.db2.gz IFDFHTZSZXRHEC-INIZCTEOSA-N 1 2 368.506 3.936 20 30 FHEDLO Cc1ccc2c(ncc(C#N)c2N[C@H](C)Cn2cc[nH+]c2)c1Br ZINC000582937037 936303319 /nfs/dbraw/zinc/30/33/19/936303319.db2.gz JHZGYNUEBNPIHU-GFCCVEGCSA-N 1 2 370.254 3.875 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)[N@H+](C)C1 ZINC000329176512 938281943 /nfs/dbraw/zinc/28/19/43/938281943.db2.gz MNCBGQUXZVPJTA-IRXDYDNUSA-N 1 2 371.506 3.914 20 30 FHEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)[N@@H+](C)C1 ZINC000329176512 938281945 /nfs/dbraw/zinc/28/19/45/938281945.db2.gz MNCBGQUXZVPJTA-IRXDYDNUSA-N 1 2 371.506 3.914 20 30 FHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000728570228 938290411 /nfs/dbraw/zinc/29/04/11/938290411.db2.gz YYVBLGWQBBYJIF-KBXCAEBGSA-N 1 2 361.461 3.965 20 30 FHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000728570228 938290413 /nfs/dbraw/zinc/29/04/13/938290413.db2.gz YYVBLGWQBBYJIF-KBXCAEBGSA-N 1 2 361.461 3.965 20 30 FHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000128280456 938304283 /nfs/dbraw/zinc/30/42/83/938304283.db2.gz FBRIRYVDKHZVCU-QAPCUYQASA-N 1 2 351.454 3.799 20 30 FHEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000584030226 938557838 /nfs/dbraw/zinc/55/78/38/938557838.db2.gz BNBAWLRAZRDCBJ-UHFFFAOYSA-N 1 2 362.477 3.597 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCc3occc3C2)c1 ZINC000584433664 938872672 /nfs/dbraw/zinc/87/26/72/938872672.db2.gz KWJXFFQYUCHXDF-UHFFFAOYSA-N 1 2 351.450 3.592 20 30 FHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCc3occc3C2)c1 ZINC000584433664 938872675 /nfs/dbraw/zinc/87/26/75/938872675.db2.gz KWJXFFQYUCHXDF-UHFFFAOYSA-N 1 2 351.450 3.592 20 30 FHEDLO C[C@@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000458805211 938964804 /nfs/dbraw/zinc/96/48/04/938964804.db2.gz UJJQQTUPGQTRHG-HOJAQTOUSA-N 1 2 365.481 3.911 20 30 FHEDLO C=CCc1cc(C[N@H+](C)Cc2nc3ccccc3n2C)cc(OC)c1O ZINC000093363947 938995274 /nfs/dbraw/zinc/99/52/74/938995274.db2.gz IPSRUJDQSJEXDI-UHFFFAOYSA-N 1 2 351.450 3.648 20 30 FHEDLO C=CCc1cc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc(OC)c1O ZINC000093363947 938995275 /nfs/dbraw/zinc/99/52/75/938995275.db2.gz IPSRUJDQSJEXDI-UHFFFAOYSA-N 1 2 351.450 3.648 20 30 FHEDLO COCCOCC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000480577792 938996121 /nfs/dbraw/zinc/99/61/21/938996121.db2.gz JIDMJAKEFIRDPF-UHFFFAOYSA-N 1 2 358.869 3.877 20 30 FHEDLO COCCOCC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000480577792 938996122 /nfs/dbraw/zinc/99/61/22/938996122.db2.gz JIDMJAKEFIRDPF-UHFFFAOYSA-N 1 2 358.869 3.877 20 30 FHEDLO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000179764754 939932723 /nfs/dbraw/zinc/93/27/23/939932723.db2.gz IELPTYNQRBYETQ-VQTJNVASSA-N 1 2 373.859 3.512 20 30 FHEDLO C[N@@H+]1CCO[C@H]([C@H](NCc2ccc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000179764754 939932725 /nfs/dbraw/zinc/93/27/25/939932725.db2.gz IELPTYNQRBYETQ-VQTJNVASSA-N 1 2 373.859 3.512 20 30 FHEDLO C[N@H+]1CCO[C@H]([C@H](NCc2ccc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000179764754 939932729 /nfs/dbraw/zinc/93/27/29/939932729.db2.gz IELPTYNQRBYETQ-VQTJNVASSA-N 1 2 373.859 3.512 20 30 FHEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000413651844 939979607 /nfs/dbraw/zinc/97/96/07/939979607.db2.gz ZEKQWAWRORIVSH-OAQYLSRUSA-N 1 2 362.477 3.537 20 30 FHEDLO COc1cc(C[NH2+]CC(C)(C)C#N)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000612585891 940163098 /nfs/dbraw/zinc/16/30/98/940163098.db2.gz VNVMYPJATCMSHO-UHFFFAOYSA-N 1 2 369.421 3.822 20 30 FHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000173422096 940618164 /nfs/dbraw/zinc/61/81/64/940618164.db2.gz HDZCOAIIPLIJNV-ZDUSSCGKSA-N 1 2 374.535 3.858 20 30 FHEDLO C=CCc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2CC)cc(OC)c1O ZINC000506805154 945350552 /nfs/dbraw/zinc/35/05/52/945350552.db2.gz GQAVEFMDQJDCRO-UHFFFAOYSA-N 1 2 368.477 3.762 20 30 FHEDLO C=CCc1cc(C[N@H+](C)CC(=O)Nc2ccccc2CC)cc(OC)c1O ZINC000506805154 945350566 /nfs/dbraw/zinc/35/05/66/945350566.db2.gz GQAVEFMDQJDCRO-UHFFFAOYSA-N 1 2 368.477 3.762 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000330103112 945358198 /nfs/dbraw/zinc/35/81/98/945358198.db2.gz GMMQECSPVDICIO-XGHQBKJUSA-N 1 2 360.498 3.536 20 30 FHEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000330103112 945358209 /nfs/dbraw/zinc/35/82/09/945358209.db2.gz GMMQECSPVDICIO-XGHQBKJUSA-N 1 2 360.498 3.536 20 30 FHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccn2)C2CC2)cc1C ZINC000180863027 941086505 /nfs/dbraw/zinc/08/65/05/941086505.db2.gz DQULKRNFAIXMMH-UHFFFAOYSA-N 1 2 362.477 3.610 20 30 FHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccn2)C2CC2)cc1C ZINC000180863027 941086507 /nfs/dbraw/zinc/08/65/07/941086507.db2.gz DQULKRNFAIXMMH-UHFFFAOYSA-N 1 2 362.477 3.610 20 30 FHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000177030407 941094833 /nfs/dbraw/zinc/09/48/33/941094833.db2.gz KIHJXXXGADGREK-NRFANRHFSA-N 1 2 364.445 3.661 20 30 FHEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccn1 ZINC000376610941 941352855 /nfs/dbraw/zinc/35/28/55/941352855.db2.gz ORVIIXBGULTITH-JOCHJYFZSA-N 1 2 359.429 3.850 20 30 FHEDLO CCOCc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1OC ZINC000377249177 941595292 /nfs/dbraw/zinc/59/52/92/941595292.db2.gz JESZOMQKDCNMHP-QFIPXVFZSA-N 1 2 366.461 3.677 20 30 FHEDLO CCOCc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1OC ZINC000377249177 941595294 /nfs/dbraw/zinc/59/52/94/941595294.db2.gz JESZOMQKDCNMHP-QFIPXVFZSA-N 1 2 366.461 3.677 20 30 FHEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)cc1 ZINC000549180349 941595697 /nfs/dbraw/zinc/59/56/97/941595697.db2.gz MKTKNMSIHKFSAG-UYAOXDASSA-N 1 2 374.843 3.522 20 30 FHEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)cc1 ZINC000549180349 941595708 /nfs/dbraw/zinc/59/57/08/941595708.db2.gz MKTKNMSIHKFSAG-UYAOXDASSA-N 1 2 374.843 3.522 20 30 FHEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541133238 941680996 /nfs/dbraw/zinc/68/09/96/941680996.db2.gz WGJYZVPXHDCZBK-HRAATJIYSA-N 1 2 370.456 3.862 20 30 FHEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000549262232 941787242 /nfs/dbraw/zinc/78/72/42/941787242.db2.gz JDPZNECDEWALRW-UHFFFAOYSA-N 1 2 371.916 3.707 20 30 FHEDLO COc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614680 941844622 /nfs/dbraw/zinc/84/46/22/941844622.db2.gz JPLVINXYZSBIBK-MSOLQXFVSA-N 1 2 352.434 3.681 20 30 FHEDLO COc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614680 941844630 /nfs/dbraw/zinc/84/46/30/941844630.db2.gz JPLVINXYZSBIBK-MSOLQXFVSA-N 1 2 352.434 3.681 20 30 FHEDLO CC(C)n1ccn(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1=S ZINC000728709883 941936617 /nfs/dbraw/zinc/93/66/17/941936617.db2.gz DTPWRCHFAYDFED-UHFFFAOYSA-N 1 2 355.511 3.641 20 30 FHEDLO CC(C)n1ccn(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1=S ZINC000728709883 941936620 /nfs/dbraw/zinc/93/66/20/941936620.db2.gz DTPWRCHFAYDFED-UHFFFAOYSA-N 1 2 355.511 3.641 20 30 FHEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000053154117 941959406 /nfs/dbraw/zinc/95/94/06/941959406.db2.gz FJGWEHNMWGENOJ-OAHLLOKOSA-N 1 2 356.495 3.527 20 30 FHEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000053154117 941959408 /nfs/dbraw/zinc/95/94/08/941959408.db2.gz FJGWEHNMWGENOJ-OAHLLOKOSA-N 1 2 356.495 3.527 20 30 FHEDLO C=CCc1cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc(OC)c1O ZINC000430021419 941988884 /nfs/dbraw/zinc/98/88/84/941988884.db2.gz JIKCWRFHDIMKPT-UHFFFAOYSA-N 1 2 355.331 3.976 20 30 FHEDLO CC(C)[C@H]1OCCC[C@H]1Nc1cc(NCc2ccc(C#N)s2)[nH+]cn1 ZINC000420612498 942118811 /nfs/dbraw/zinc/11/88/11/942118811.db2.gz UXXFXEGVNWUNAV-CRAIPNDOSA-N 1 2 357.483 3.637 20 30 FHEDLO CC(C)[C@H]1OCCC[C@H]1Nc1cc(NCc2ccc(C#N)s2)nc[nH+]1 ZINC000420612498 942118819 /nfs/dbraw/zinc/11/88/19/942118819.db2.gz UXXFXEGVNWUNAV-CRAIPNDOSA-N 1 2 357.483 3.637 20 30 FHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000614495206 942228760 /nfs/dbraw/zinc/22/87/60/942228760.db2.gz LFHLFJKBRPPDGG-GOSISDBHSA-N 1 2 364.836 3.659 20 30 FHEDLO N#CCc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278823069 942265496 /nfs/dbraw/zinc/26/54/96/942265496.db2.gz JKXSGJWMTZCNNG-UHFFFAOYSA-N 1 2 363.465 3.697 20 30 FHEDLO Cc1cc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000502299348 942340354 /nfs/dbraw/zinc/34/03/54/942340354.db2.gz WWHVPWKFKACIBC-UHFFFAOYSA-N 1 2 363.465 3.635 20 30 FHEDLO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507370 942484624 /nfs/dbraw/zinc/48/46/24/942484624.db2.gz MNGDKQMDUAFDFT-MRXNPFEDSA-N 1 2 361.445 3.683 20 30 FHEDLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507370 942484630 /nfs/dbraw/zinc/48/46/30/942484630.db2.gz MNGDKQMDUAFDFT-MRXNPFEDSA-N 1 2 361.445 3.683 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502513176 942506752 /nfs/dbraw/zinc/50/67/52/942506752.db2.gz WGXVCQWIJAGZDX-AWEZNQCLSA-N 1 2 367.399 3.953 20 30 FHEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502513176 942506757 /nfs/dbraw/zinc/50/67/57/942506757.db2.gz WGXVCQWIJAGZDX-AWEZNQCLSA-N 1 2 367.399 3.953 20 30 FHEDLO COc1cc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)ccc1C#N ZINC000366901323 942508012 /nfs/dbraw/zinc/50/80/12/942508012.db2.gz QBASUUGSQWBKKE-GFCCVEGCSA-N 1 2 352.369 3.607 20 30 FHEDLO N#CCCCOc1cccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000501707286 942630244 /nfs/dbraw/zinc/63/02/44/942630244.db2.gz ORAMQPRZWVDSOC-UHFFFAOYSA-N 1 2 373.460 3.685 20 30 FHEDLO C=CCC1(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CCCC1 ZINC000664252148 942673497 /nfs/dbraw/zinc/67/34/97/942673497.db2.gz IBULTSBWFCSMJP-GOSISDBHSA-N 1 2 352.482 3.892 20 30 FHEDLO N#Cc1cccc(N2CC[NH+](CCc3cccc(Cl)c3Cl)CC2)n1 ZINC000434485651 942705911 /nfs/dbraw/zinc/70/59/11/942705911.db2.gz VOEMGDQKYXLHKZ-UHFFFAOYSA-N 1 2 361.276 3.625 20 30 FHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425106036 942798816 /nfs/dbraw/zinc/79/88/16/942798816.db2.gz GBFRCNCFWBKUCP-LBPRGKRZSA-N 1 2 368.387 3.714 20 30 FHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000435039078 943105832 /nfs/dbraw/zinc/10/58/32/943105832.db2.gz AEGZKXITOCYHLR-OAQYLSRUSA-N 1 2 364.445 3.661 20 30 FHEDLO COC(=O)c1cccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)c1 ZINC000272648105 943192611 /nfs/dbraw/zinc/19/26/11/943192611.db2.gz YRUKNEDCZVWXFX-UHFFFAOYSA-N 1 2 355.463 3.722 20 30 FHEDLO Cc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000513792078 943274032 /nfs/dbraw/zinc/27/40/32/943274032.db2.gz ZPIFTQXQCHMYHK-QGZVFWFLSA-N 1 2 356.491 3.642 20 30 FHEDLO Cc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000513792078 943274037 /nfs/dbraw/zinc/27/40/37/943274037.db2.gz ZPIFTQXQCHMYHK-QGZVFWFLSA-N 1 2 356.491 3.642 20 30 FHEDLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C)c3)c2C1 ZINC000435718724 943578457 /nfs/dbraw/zinc/57/84/57/943578457.db2.gz GDKNHHKPSBAAHP-UHFFFAOYSA-N 1 2 369.490 3.783 20 30 FHEDLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C)c3)c2C1 ZINC000435718724 943578463 /nfs/dbraw/zinc/57/84/63/943578463.db2.gz GDKNHHKPSBAAHP-UHFFFAOYSA-N 1 2 369.490 3.783 20 30 FHEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1Cl ZINC000424207264 943788826 /nfs/dbraw/zinc/78/88/26/943788826.db2.gz XRISBGSGSIUBEI-LLVKDONJSA-N 1 2 366.870 3.999 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnc(C4CCCC4)s3)CC2)cc1 ZINC000506072485 943943090 /nfs/dbraw/zinc/94/30/90/943943090.db2.gz QZARBCCEKVADMG-UHFFFAOYSA-N 1 2 366.534 3.990 20 30 FHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)cc1 ZINC000506072485 943943091 /nfs/dbraw/zinc/94/30/91/943943091.db2.gz QZARBCCEKVADMG-UHFFFAOYSA-N 1 2 366.534 3.990 20 30 FHEDLO Cc1ccc(C2CC2)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000424547655 943968275 /nfs/dbraw/zinc/96/82/75/943968275.db2.gz SJOCNDWZJVLIBE-UHFFFAOYSA-N 1 2 359.473 3.702 20 30 FHEDLO C=CCOc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000505750516 943994458 /nfs/dbraw/zinc/99/44/58/943994458.db2.gz LSHKIBGRVHVSJX-UHFFFAOYSA-N 1 2 357.417 3.992 20 30 FHEDLO Cc1nc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccc1C#N ZINC000436190540 944083542 /nfs/dbraw/zinc/08/35/42/944083542.db2.gz NGZIKXODEYWLSB-UHFFFAOYSA-N 1 2 357.417 3.714 20 30 FHEDLO N#Cc1ccc(OCC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000436179682 944092620 /nfs/dbraw/zinc/09/26/20/944092620.db2.gz VVTGYNZCIPUFGF-UHFFFAOYSA-N 1 2 372.428 3.776 20 30 FHEDLO Cc1ccc(CCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000044315282 944182790 /nfs/dbraw/zinc/18/27/90/944182790.db2.gz TXKVKYPRSKLYPS-UHFFFAOYSA-N 1 2 361.489 3.534 20 30 FHEDLO CC1(C)CN(CC#CC[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831944 944278638 /nfs/dbraw/zinc/27/86/38/944278638.db2.gz GUAXHJFDHZQKRC-FGZHOGPDSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)CN(CC#CC[N@H+]2CC(C)(C)[C@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831944 944278641 /nfs/dbraw/zinc/27/86/41/944278641.db2.gz GUAXHJFDHZQKRC-FGZHOGPDSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)CN(CC#CC[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831945 944278864 /nfs/dbraw/zinc/27/88/64/944278864.db2.gz GUAXHJFDHZQKRC-SZPZYZBQSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)CN(CC#CC[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831945 944278872 /nfs/dbraw/zinc/27/88/72/944278872.db2.gz GUAXHJFDHZQKRC-SZPZYZBQSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)C[N@@H+](CC#CCN2CC(C)(C)[C@@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831945 944278881 /nfs/dbraw/zinc/27/88/81/944278881.db2.gz GUAXHJFDHZQKRC-SZPZYZBQSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)C[N@H+](CC#CCN2CC(C)(C)[C@@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831945 944278890 /nfs/dbraw/zinc/27/88/90/944278890.db2.gz GUAXHJFDHZQKRC-SZPZYZBQSA-N 1 2 374.532 3.946 20 30 FHEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1 ZINC000506479061 944312651 /nfs/dbraw/zinc/31/26/51/944312651.db2.gz VVBKUEQFSRABLX-UHFFFAOYSA-N 1 2 368.452 3.657 20 30 FHEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000438076228 944316469 /nfs/dbraw/zinc/31/64/69/944316469.db2.gz PXTAAXRLIMGNRE-UHFFFAOYSA-N 1 2 363.335 3.639 20 30 FHEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000438076228 944316479 /nfs/dbraw/zinc/31/64/79/944316479.db2.gz PXTAAXRLIMGNRE-UHFFFAOYSA-N 1 2 363.335 3.639 20 30 FHEDLO CC(C)c1ncc(C[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000440470545 944504324 /nfs/dbraw/zinc/50/43/24/944504324.db2.gz RNHACYGLQYFSGH-UHFFFAOYSA-N 1 2 363.383 3.982 20 30 FHEDLO CC(C)c1ncc(C[N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000440470545 944504329 /nfs/dbraw/zinc/50/43/29/944504329.db2.gz RNHACYGLQYFSGH-UHFFFAOYSA-N 1 2 363.383 3.982 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000518645842 944573218 /nfs/dbraw/zinc/57/32/18/944573218.db2.gz XIMNQOUMTUBKJB-JOCHJYFZSA-N 1 2 373.500 3.713 20 30 FHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(Cl)c1 ZINC000439450275 944634537 /nfs/dbraw/zinc/63/45/37/944634537.db2.gz WHYDNKWBXAKITH-UHFFFAOYSA-N 1 2 359.901 3.826 20 30 FHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(Cl)c1 ZINC000439450275 944634540 /nfs/dbraw/zinc/63/45/40/944634540.db2.gz WHYDNKWBXAKITH-UHFFFAOYSA-N 1 2 359.901 3.826 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000505902189 944809629 /nfs/dbraw/zinc/80/96/29/944809629.db2.gz BWWNWTBWSZWNAT-UHFFFAOYSA-N 1 2 351.397 3.961 20 30 FHEDLO N#CC1(CCCCOC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCC1 ZINC000909334688 944905812 /nfs/dbraw/zinc/90/58/12/944905812.db2.gz WENWGLIPFVRALE-UHFFFAOYSA-N 1 2 351.450 3.881 20 30 FHEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(Cl)c1 ZINC000426144962 945014409 /nfs/dbraw/zinc/01/44/09/945014409.db2.gz XIBLDGPJBRBPQW-UHFFFAOYSA-N 1 2 369.856 3.919 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330166407 945384934 /nfs/dbraw/zinc/38/49/34/945384934.db2.gz XZEIPNLXMZCWSC-UTKZUKDTSA-N 1 2 354.450 3.698 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330166407 945384937 /nfs/dbraw/zinc/38/49/37/945384937.db2.gz XZEIPNLXMZCWSC-UTKZUKDTSA-N 1 2 354.450 3.698 20 30 FHEDLO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000151373925 945430564 /nfs/dbraw/zinc/43/05/64/945430564.db2.gz DPGFTJBAOCQXTE-UHFFFAOYSA-N 1 2 373.416 3.696 20 30 FHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000330268243 945435339 /nfs/dbraw/zinc/43/53/39/945435339.db2.gz INPBLANQLUCIQM-VQIMIIECSA-N 1 2 363.465 3.820 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2cccc3ccsc32)CCO1 ZINC000330325730 945566127 /nfs/dbraw/zinc/56/61/27/945566127.db2.gz JMHPGYFTBGCXCC-BBRMVZONSA-N 1 2 356.451 3.881 20 30 FHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCO1 ZINC000281559532 945767528 /nfs/dbraw/zinc/76/75/28/945767528.db2.gz YCSSWGXPJHZPFQ-HZPDHXFCSA-N 1 2 361.511 3.520 20 30 FHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCO1 ZINC000281559532 945767533 /nfs/dbraw/zinc/76/75/33/945767533.db2.gz YCSSWGXPJHZPFQ-HZPDHXFCSA-N 1 2 361.511 3.520 20 30 FHEDLO Cc1cc(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661151025 945784062 /nfs/dbraw/zinc/78/40/62/945784062.db2.gz XCAXJBJOCDYYRK-ROUUACIJSA-N 1 2 353.466 3.943 20 30 FHEDLO Cc1cc(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661151025 945784065 /nfs/dbraw/zinc/78/40/65/945784065.db2.gz XCAXJBJOCDYYRK-ROUUACIJSA-N 1 2 353.466 3.943 20 30 FHEDLO C[C@@H](C#N)CNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000301476713 945805712 /nfs/dbraw/zinc/80/57/12/945805712.db2.gz BLFUMNNICFFMIT-ZDUSSCGKSA-N 1 2 351.479 3.991 20 30 FHEDLO CC1(C)CN(CC#CC[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825023 945884200 /nfs/dbraw/zinc/88/42/00/945884200.db2.gz ZNYUMDJZACLYTN-SZPZYZBQSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)CN(CC#CC[N@H+]2CC(C)(C)[C@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825023 945884215 /nfs/dbraw/zinc/88/42/15/945884215.db2.gz ZNYUMDJZACLYTN-SZPZYZBQSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)C[N@@H+](CC#CCN2CC(C)(C)[C@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825023 945884228 /nfs/dbraw/zinc/88/42/28/945884228.db2.gz ZNYUMDJZACLYTN-SZPZYZBQSA-N 1 2 374.532 3.946 20 30 FHEDLO CC1(C)C[N@H+](CC#CCN2CC(C)(C)[C@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825023 945884241 /nfs/dbraw/zinc/88/42/41/945884241.db2.gz ZNYUMDJZACLYTN-SZPZYZBQSA-N 1 2 374.532 3.946 20 30 FHEDLO C=CCCO[C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000519999623 946020976 /nfs/dbraw/zinc/02/09/76/946020976.db2.gz HUCKVIOIPDQLNT-HNNXBMFYSA-N 1 2 371.506 3.621 20 30 FHEDLO C=CCCO[C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000519999623 946020985 /nfs/dbraw/zinc/02/09/85/946020985.db2.gz HUCKVIOIPDQLNT-HNNXBMFYSA-N 1 2 371.506 3.621 20 30 FHEDLO C=CCN(Cc1cccs1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890105 946312555 /nfs/dbraw/zinc/31/25/55/946312555.db2.gz AAKLIAAMPMHVHY-UHFFFAOYSA-N 1 2 352.463 3.832 20 30 FHEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093477796 946629458 /nfs/dbraw/zinc/62/94/58/946629458.db2.gz OHYDVMMOMVTYCL-HXUWFJFHSA-N 1 2 367.497 3.954 20 30 FHEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093477796 946629461 /nfs/dbraw/zinc/62/94/61/946629461.db2.gz OHYDVMMOMVTYCL-HXUWFJFHSA-N 1 2 367.497 3.954 20 30 FHEDLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)C1 ZINC000186679306 946847403 /nfs/dbraw/zinc/84/74/03/946847403.db2.gz GHSUKMRXMUGVRO-HNNXBMFYSA-N 1 2 359.901 3.682 20 30 FHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC001167785134 946919050 /nfs/dbraw/zinc/91/90/50/946919050.db2.gz QSJVCTPPMUYYKE-FQEVSTJZSA-N 1 2 357.860 3.904 20 30 FHEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328777570 947023323 /nfs/dbraw/zinc/02/33/23/947023323.db2.gz LLKXXJMSKHQEAA-QZTJIDSGSA-N 1 2 360.502 3.649 20 30 FHEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328777570 947023335 /nfs/dbraw/zinc/02/33/35/947023335.db2.gz LLKXXJMSKHQEAA-QZTJIDSGSA-N 1 2 360.502 3.649 20 30 FHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000121276316 947046778 /nfs/dbraw/zinc/04/67/78/947046778.db2.gz CPKRLSYHYFQKRE-MRXNPFEDSA-N 1 2 374.444 3.922 20 30 FHEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H]1CF ZINC000328879784 947080081 /nfs/dbraw/zinc/08/00/81/947080081.db2.gz VJYFHOFHXVUXTL-HBVLHIRESA-N 1 2 351.466 3.648 20 30 FHEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@H]1CF ZINC000328879784 947080090 /nfs/dbraw/zinc/08/00/90/947080090.db2.gz VJYFHOFHXVUXTL-HBVLHIRESA-N 1 2 351.466 3.648 20 30 FHEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H]1CF ZINC000328879785 947080478 /nfs/dbraw/zinc/08/04/78/947080478.db2.gz VJYFHOFHXVUXTL-KZUMUSTHSA-N 1 2 351.466 3.648 20 30 FHEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H]1CF ZINC000328879785 947080482 /nfs/dbraw/zinc/08/04/82/947080482.db2.gz VJYFHOFHXVUXTL-KZUMUSTHSA-N 1 2 351.466 3.648 20 30 FHEDLO C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000328897658 947086511 /nfs/dbraw/zinc/08/65/11/947086511.db2.gz CUMWAVWUJIPNLG-BFYDXBDKSA-N 1 2 367.449 3.643 20 30 FHEDLO C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc2c(c1)OCO2 ZINC000328990687 947135709 /nfs/dbraw/zinc/13/57/09/947135709.db2.gz SEIIQOGINFJEIF-IIAWOOMASA-N 1 2 353.422 3.600 20 30 FHEDLO C[C@H]([C@H](C)NC(=O)Nc1cccc(C(F)F)c1Cl)[NH+]1CCOCC1 ZINC000330859311 947286471 /nfs/dbraw/zinc/28/64/71/947286471.db2.gz RFBKXCSGPCUSIQ-WDEREUQCSA-N 1 2 361.820 3.713 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000253485189 947432560 /nfs/dbraw/zinc/43/25/60/947432560.db2.gz MPUADMWZTHAFKX-QLFBSQMISA-N 1 2 363.552 3.703 20 30 FHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000253485189 947432565 /nfs/dbraw/zinc/43/25/65/947432565.db2.gz MPUADMWZTHAFKX-QLFBSQMISA-N 1 2 363.552 3.703 20 30 FHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000428388187 947487405 /nfs/dbraw/zinc/48/74/05/947487405.db2.gz VUAHKGJJSWPHRK-UHFFFAOYSA-N 1 2 370.403 3.623 20 30 FHEDLO N#Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)nc2ccccc12 ZINC000520455913 947520571 /nfs/dbraw/zinc/52/05/71/947520571.db2.gz XYDRSRWFNGOSJR-UHFFFAOYSA-N 1 2 353.385 3.604 20 30 FHEDLO N#Cc1cccc(OCc2cccc(C(=O)NCCCCn3cc[nH+]c3)c2)c1 ZINC000523720509 947532149 /nfs/dbraw/zinc/53/21/49/947532149.db2.gz JQVJECBXJQGSPO-UHFFFAOYSA-N 1 2 374.444 3.544 20 30 FHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCc3sccc3C2)cc1C ZINC000021420029 947554569 /nfs/dbraw/zinc/55/45/69/947554569.db2.gz GTNZJEOKWAMDAI-UHFFFAOYSA-N 1 2 353.491 3.670 20 30 FHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCc3sccc3C2)cc1C ZINC000021420029 947554575 /nfs/dbraw/zinc/55/45/75/947554575.db2.gz GTNZJEOKWAMDAI-UHFFFAOYSA-N 1 2 353.491 3.670 20 30 FHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523751288 947585973 /nfs/dbraw/zinc/58/59/73/947585973.db2.gz ZEYCCJROGVXPGN-UHFFFAOYSA-N 1 2 373.460 3.866 20 30 FHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC001143524790 947851594 /nfs/dbraw/zinc/85/15/94/947851594.db2.gz LEQXZGKOWLILQF-OAHLLOKOSA-N 1 2 372.387 3.591 20 30 FHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC001143524790 947851600 /nfs/dbraw/zinc/85/16/00/947851600.db2.gz LEQXZGKOWLILQF-OAHLLOKOSA-N 1 2 372.387 3.591 20 30 FHEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccccc1C#N ZINC000278922492 948125548 /nfs/dbraw/zinc/12/55/48/948125548.db2.gz LTTKGLGWFFOAAJ-ZJUUUORDSA-N 1 2 368.384 3.711 20 30 FHEDLO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(C(C)(C)C)cs1 ZINC000184455422 948591306 /nfs/dbraw/zinc/59/13/06/948591306.db2.gz RYCQAJIFNQDUOP-AWEZNQCLSA-N 1 2 362.543 3.776 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602799739 568036175 /nfs/dbraw/zinc/03/61/75/568036175.db2.gz FPJJIOMASYGMHR-LJQANCHMSA-N 1 2 350.466 3.556 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000602799739 568036177 /nfs/dbraw/zinc/03/61/77/568036177.db2.gz FPJJIOMASYGMHR-LJQANCHMSA-N 1 2 350.466 3.556 20 30 FHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccc(F)cc1F ZINC000603441991 568101657 /nfs/dbraw/zinc/10/16/57/568101657.db2.gz ONASORCIQTUPJK-CHWWFWEZSA-N 1 2 363.452 3.716 20 30 FHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000603441991 568101658 /nfs/dbraw/zinc/10/16/58/568101658.db2.gz ONASORCIQTUPJK-CHWWFWEZSA-N 1 2 363.452 3.716 20 30 FHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc(C#N)c1 ZINC000303001102 568249621 /nfs/dbraw/zinc/24/96/21/568249621.db2.gz OFUPEVANFGFNHP-UHFFFAOYSA-N 1 2 364.836 3.710 20 30 FHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc(C#N)c1 ZINC000303001102 568249622 /nfs/dbraw/zinc/24/96/22/568249622.db2.gz OFUPEVANFGFNHP-UHFFFAOYSA-N 1 2 364.836 3.710 20 30 FHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC(F)(F)F)CC2)c(C#N)c1C ZINC000568907378 568251812 /nfs/dbraw/zinc/25/18/12/568251812.db2.gz HKJGOFPXPMWAOG-LLVKDONJSA-N 1 2 357.376 3.760 20 30 FHEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303505709 568283008 /nfs/dbraw/zinc/28/30/08/568283008.db2.gz NTJIKASOWRCFIN-WMLDXEAASA-N 1 2 368.880 3.541 20 30 FHEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303505709 568283009 /nfs/dbraw/zinc/28/30/09/568283009.db2.gz NTJIKASOWRCFIN-WMLDXEAASA-N 1 2 368.880 3.541 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000031053077 568322378 /nfs/dbraw/zinc/32/23/78/568322378.db2.gz POQQPAJLRGCWGF-YVEFUNNKSA-N 1 2 356.297 3.868 20 30 FHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000031053077 568322379 /nfs/dbraw/zinc/32/23/79/568322379.db2.gz POQQPAJLRGCWGF-YVEFUNNKSA-N 1 2 356.297 3.868 20 30 FHEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000365235285 568345675 /nfs/dbraw/zinc/34/56/75/568345675.db2.gz SVGUHDLBSOEEAU-HXUWFJFHSA-N 1 2 350.372 3.848 20 30 FHEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000365235285 568345676 /nfs/dbraw/zinc/34/56/76/568345676.db2.gz SVGUHDLBSOEEAU-HXUWFJFHSA-N 1 2 350.372 3.848 20 30 FHEDLO C=CCOc1ccccc1C[NH2+][C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000604773403 568363781 /nfs/dbraw/zinc/36/37/81/568363781.db2.gz HJZWDYMILJMEBW-NRFANRHFSA-N 1 2 352.478 3.951 20 30 FHEDLO Cc1cc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)n2c3ccccc3nc2c1C#N ZINC000569435236 568402317 /nfs/dbraw/zinc/40/23/17/568402317.db2.gz BANLFMVFNTYNSQ-LJQANCHMSA-N 1 2 370.460 3.989 20 30 FHEDLO CC1(C)C[N@@H+]([C@H](CNc2cccnc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000569633506 568411272 /nfs/dbraw/zinc/41/12/72/568411272.db2.gz DULXZMWEUBEHFE-LJQANCHMSA-N 1 2 370.884 3.871 20 30 FHEDLO CC1(C)C[N@H+]([C@H](CNc2cccnc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000569633506 568411273 /nfs/dbraw/zinc/41/12/73/568411273.db2.gz DULXZMWEUBEHFE-LJQANCHMSA-N 1 2 370.884 3.871 20 30 FHEDLO CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)c1 ZINC000328635701 571148720 /nfs/dbraw/zinc/14/87/20/571148720.db2.gz NPIDFTLPYCYRAW-IBGZPJMESA-N 1 2 352.482 3.570 20 30 FHEDLO CNC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)c1 ZINC000328635701 571148722 /nfs/dbraw/zinc/14/87/22/571148722.db2.gz NPIDFTLPYCYRAW-IBGZPJMESA-N 1 2 352.482 3.570 20 30 FHEDLO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728539328 936386696 /nfs/dbraw/zinc/38/66/96/936386696.db2.gz WJOUBSJRJALDJX-FQEVSTJZSA-N 1 2 373.460 3.640 20 30 FHEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000023355467 927055357 /nfs/dbraw/zinc/05/53/57/927055357.db2.gz COAOHRQXEJMGCS-OAHLLOKOSA-N 1 2 357.404 3.904 20 30 FHEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000023355467 927055373 /nfs/dbraw/zinc/05/53/73/927055373.db2.gz COAOHRQXEJMGCS-OAHLLOKOSA-N 1 2 357.404 3.904 20 30 FHEDLO COc1ccc(CC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000039303987 937132199 /nfs/dbraw/zinc/13/21/99/937132199.db2.gz RUXNWXDWRBFDPI-UHFFFAOYSA-N 1 2 369.490 3.522 20 30 FHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)nc1 ZINC000430153270 927368775 /nfs/dbraw/zinc/36/87/75/927368775.db2.gz GAGIEUSNMXHYTO-OAHLLOKOSA-N 1 2 365.330 3.764 20 30 FHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)nc1 ZINC000430153270 927368785 /nfs/dbraw/zinc/36/87/85/927368785.db2.gz GAGIEUSNMXHYTO-OAHLLOKOSA-N 1 2 365.330 3.764 20 30 FHEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000548788352 937158780 /nfs/dbraw/zinc/15/87/80/937158780.db2.gz NJUMEWVVYCRZHZ-SNVBAGLBSA-N 1 2 358.186 3.584 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1F ZINC000042327885 927769220 /nfs/dbraw/zinc/76/92/20/927769220.db2.gz XVSHELJRGSMTNQ-HNNXBMFYSA-N 1 2 357.404 3.732 20 30 FHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1F ZINC000042327885 927769230 /nfs/dbraw/zinc/76/92/30/927769230.db2.gz XVSHELJRGSMTNQ-HNNXBMFYSA-N 1 2 357.404 3.732 20 30 FHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000471145532 927891532 /nfs/dbraw/zinc/89/15/32/927891532.db2.gz NPTUNSBCFCKIKJ-QFIPXVFZSA-N 1 2 358.445 3.724 20 30 FHEDLO C#CC[N@@H+](CN1C[C@@H](c2cccc(F)c2)CC1=O)[C@H]1CCc2ccccc21 ZINC000728196718 928055589 /nfs/dbraw/zinc/05/55/89/928055589.db2.gz SVDFYNNKYZODHH-UGKGYDQZSA-N 1 2 362.448 3.722 20 30 FHEDLO C#CC[N@H+](CN1C[C@@H](c2cccc(F)c2)CC1=O)[C@H]1CCc2ccccc21 ZINC000728196718 928055603 /nfs/dbraw/zinc/05/56/03/928055603.db2.gz SVDFYNNKYZODHH-UGKGYDQZSA-N 1 2 362.448 3.722 20 30 FHEDLO N#Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(F)c1 ZINC001266300145 928643124 /nfs/dbraw/zinc/64/31/24/928643124.db2.gz GWKXKTDLWWCENF-UHFFFAOYSA-N 1 2 358.376 3.865 20 30 FHEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc(OC)c1O ZINC000179427036 928751263 /nfs/dbraw/zinc/75/12/63/928751263.db2.gz XAHBAIVRIFVLSY-FQEVSTJZSA-N 1 2 357.425 3.842 20 30 FHEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc(OC)c1O ZINC000179427036 928751265 /nfs/dbraw/zinc/75/12/65/928751265.db2.gz XAHBAIVRIFVLSY-FQEVSTJZSA-N 1 2 357.425 3.842 20 30 FHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccn2)C(C)C)c1C ZINC000052218670 937286563 /nfs/dbraw/zinc/28/65/63/937286563.db2.gz CLHBBFNHIBEAJO-UHFFFAOYSA-N 1 2 364.493 3.856 20 30 FHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccn2)C(C)C)c1C ZINC000052218670 937286568 /nfs/dbraw/zinc/28/65/68/937286568.db2.gz CLHBBFNHIBEAJO-UHFFFAOYSA-N 1 2 364.493 3.856 20 30 FHEDLO C=C(C)[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)c(F)c1 ZINC000275085812 929514853 /nfs/dbraw/zinc/51/48/53/929514853.db2.gz GSDFPHMCSMZUQY-WMLDXEAASA-N 1 2 360.408 3.894 20 30 FHEDLO C[C@H](c1cccc(NC(=O)N2CCC(CCC#N)CC2)c1)[NH+]1CCOCC1 ZINC000580189288 930348407 /nfs/dbraw/zinc/34/84/07/930348407.db2.gz LGWJLKFYUROPHS-QGZVFWFLSA-N 1 2 370.497 3.627 20 30 FHEDLO C[N@H+](Cc1ccc(Br)s1)Cc1cnc2ccc(C#N)cn12 ZINC000118971857 930476046 /nfs/dbraw/zinc/47/60/46/930476046.db2.gz XBFSSEVMGQTYPL-UHFFFAOYSA-N 1 2 361.268 3.662 20 30 FHEDLO C[N@@H+](Cc1ccc(Br)s1)Cc1cnc2ccc(C#N)cn12 ZINC000118971857 930476054 /nfs/dbraw/zinc/47/60/54/930476054.db2.gz XBFSSEVMGQTYPL-UHFFFAOYSA-N 1 2 361.268 3.662 20 30 FHEDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000580544804 930829989 /nfs/dbraw/zinc/82/99/89/930829989.db2.gz DPPWQUYUQGPLHD-IERDGZPVSA-N 1 2 370.456 3.862 20 30 FHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000580841316 931252565 /nfs/dbraw/zinc/25/25/65/931252565.db2.gz LYTKSUXOFDNJMF-HXUWFJFHSA-N 1 2 356.420 3.500 20 30 FHEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156795770 931525524 /nfs/dbraw/zinc/52/55/24/931525524.db2.gz VOPXJJFQVCZPIJ-FOIQADDNSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156795770 931525530 /nfs/dbraw/zinc/52/55/30/931525530.db2.gz VOPXJJFQVCZPIJ-FOIQADDNSA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156793322 931528485 /nfs/dbraw/zinc/52/84/85/931528485.db2.gz ZYWRTJYCQMNEIE-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156793322 931528489 /nfs/dbraw/zinc/52/84/89/931528489.db2.gz ZYWRTJYCQMNEIE-YWZLYKJASA-N 1 2 372.465 3.554 20 30 FHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1 ZINC000625799323 932469014 /nfs/dbraw/zinc/46/90/14/932469014.db2.gz MYPHUWKAFJTBHM-NRFANRHFSA-N 1 2 350.393 3.697 20 30 FHEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1 ZINC000625799323 932469016 /nfs/dbraw/zinc/46/90/16/932469016.db2.gz MYPHUWKAFJTBHM-NRFANRHFSA-N 1 2 350.393 3.697 20 30 FHEDLO N#Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1Cl ZINC000548306778 932914100 /nfs/dbraw/zinc/91/41/00/932914100.db2.gz OLWWQTULHUIIKY-DAXSKMNVSA-N 1 2 365.864 3.683 20 30 FHEDLO O=C(Nc1cccc2c1CN(c1nccs1)C2)[C@H]1CCn2cc[nH+]c2C1 ZINC000328882875 933097497 /nfs/dbraw/zinc/09/74/97/933097497.db2.gz MBAXMRGJALNGRU-ZDUSSCGKSA-N 1 2 365.462 3.710 20 30 FHEDLO C=CCN(CCc1ccccc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051334493 933122413 /nfs/dbraw/zinc/12/24/13/933122413.db2.gz BBXOCTUYCYWORU-UHFFFAOYSA-N 1 2 353.466 3.647 20 30 FHEDLO CC(C)[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000510561203 933226172 /nfs/dbraw/zinc/22/61/72/933226172.db2.gz VIQGMBBJWXBYLU-SFTDATJTSA-N 1 2 368.525 3.600 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000510640957 933346386 /nfs/dbraw/zinc/34/63/86/933346386.db2.gz NRQMZDXMYMWASZ-UHFFFAOYSA-N 1 2 372.421 3.809 20 30 FHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000510640957 933346397 /nfs/dbraw/zinc/34/63/97/933346397.db2.gz NRQMZDXMYMWASZ-UHFFFAOYSA-N 1 2 372.421 3.809 20 30 FHEDLO C=CCOc1ccc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1Cl ZINC000092078731 933840070 /nfs/dbraw/zinc/84/00/70/933840070.db2.gz QWMNVGXQSXYVEF-INIZCTEOSA-N 1 2 364.917 3.590 20 30 FHEDLO CC[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)C[C@H](C)C#N ZINC000091982331 933931810 /nfs/dbraw/zinc/93/18/10/933931810.db2.gz ZKUFQOYPDQAUKQ-GFCCVEGCSA-N 1 2 353.260 3.592 20 30 FHEDLO CC[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)C[C@H](C)C#N ZINC000091982331 933931812 /nfs/dbraw/zinc/93/18/12/933931812.db2.gz ZKUFQOYPDQAUKQ-GFCCVEGCSA-N 1 2 353.260 3.592 20 30 FHEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1cccc2ccccc21 ZINC000510905243 934004287 /nfs/dbraw/zinc/00/42/87/934004287.db2.gz ODSIFFBBIBEFLF-HOTGVXAUSA-N 1 2 353.441 3.733 20 30 FHEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc2ccccc2c1 ZINC000510906316 934006534 /nfs/dbraw/zinc/00/65/34/934006534.db2.gz YGPNLWDPVFUCAC-CVEARBPZSA-N 1 2 353.441 3.733 20 30 FHEDLO C=CC[N@@H+](Cc1ccc(-c2ccc(C)cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361514 934023086 /nfs/dbraw/zinc/02/30/86/934023086.db2.gz JJUTYQQGWCWGCV-QGZVFWFLSA-N 1 2 361.532 3.899 20 30 FHEDLO C=CC[N@H+](Cc1ccc(-c2ccc(C)cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361514 934023090 /nfs/dbraw/zinc/02/30/90/934023090.db2.gz JJUTYQQGWCWGCV-QGZVFWFLSA-N 1 2 361.532 3.899 20 30 FHEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)COc1cccc(C#N)c1)c1ccccc1 ZINC000780373209 934132577 /nfs/dbraw/zinc/13/25/77/934132577.db2.gz MKNFYPMBFUGGQM-JXFKEZNVSA-N 1 2 352.434 3.562 20 30 FHEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)COc1cccc(C#N)c1)c1ccccc1 ZINC000780373209 934132582 /nfs/dbraw/zinc/13/25/82/934132582.db2.gz MKNFYPMBFUGGQM-JXFKEZNVSA-N 1 2 352.434 3.562 20 30 FHEDLO N#CCCC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000582000962 934145308 /nfs/dbraw/zinc/14/53/08/934145308.db2.gz NSUBDTTYSQCPHA-UHFFFAOYSA-N 1 2 360.508 3.826 20 30 FHEDLO CCCCn1c(SCc2ccnc(C#N)c2)nnc1[C@H](CC)[NH+](C)C ZINC000610955176 934654989 /nfs/dbraw/zinc/65/49/89/934654989.db2.gz UPIKFNRRVLMCGW-INIZCTEOSA-N 1 2 358.515 3.650 20 30 FHEDLO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176251527 934665979 /nfs/dbraw/zinc/66/59/79/934665979.db2.gz YCCOJVZGSMNJKK-IBGZPJMESA-N 1 2 372.490 3.851 20 30 FHEDLO Cc1ccc([C@@H]2CCCCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176251527 934665981 /nfs/dbraw/zinc/66/59/81/934665981.db2.gz YCCOJVZGSMNJKK-IBGZPJMESA-N 1 2 372.490 3.851 20 30 FHEDLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176270199 934711536 /nfs/dbraw/zinc/71/15/36/934711536.db2.gz CJVSTWPGUCAFIN-MGPUTAFESA-N 1 2 372.465 3.554 20 30 FHEDLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176270199 934711539 /nfs/dbraw/zinc/71/15/39/934711539.db2.gz CJVSTWPGUCAFIN-MGPUTAFESA-N 1 2 372.465 3.554 20 30 FHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000551447087 935286769 /nfs/dbraw/zinc/28/67/69/935286769.db2.gz AONHNJMQMFZCIJ-HNNXBMFYSA-N 1 2 350.447 3.583 20 30 FHEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)[nH]1 ZINC000277534052 935481721 /nfs/dbraw/zinc/48/17/21/935481721.db2.gz YOUJANCAEGIFIQ-HUUCEWRRSA-N 1 2 371.485 3.860 20 30 FHEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000127552684 935615342 /nfs/dbraw/zinc/61/53/42/935615342.db2.gz OCBJXPNMDAIPHG-UHFFFAOYSA-N 1 2 360.383 3.603 20 30 FHEDLO Cc1ccc(-c2ncc(C[NH+]3CCN(c4ccccc4C#N)CC3)s2)o1 ZINC000506397971 945113510 /nfs/dbraw/zinc/11/35/10/945113510.db2.gz WSTNXICPQQVDQB-UHFFFAOYSA-N 1 2 364.474 3.905 20 30 FHEDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000127591445 935640334 /nfs/dbraw/zinc/64/03/34/935640334.db2.gz YZISEEOUKKLFRK-AWEZNQCLSA-N 1 2 368.506 3.915 20 30 FHEDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000127591445 935640340 /nfs/dbraw/zinc/64/03/40/935640340.db2.gz YZISEEOUKKLFRK-AWEZNQCLSA-N 1 2 368.506 3.915 20 30 FHEDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000078412948 936149765 /nfs/dbraw/zinc/14/97/65/936149765.db2.gz DALQTDXRAYORJC-UHFFFAOYSA-N 1 2 365.437 3.613 20 30 FHEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245627365 938309538 /nfs/dbraw/zinc/30/95/38/938309538.db2.gz YURHSQMOOAVRKR-FSPWUOQZSA-N 1 2 368.880 3.712 20 30 FHEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245627365 938309539 /nfs/dbraw/zinc/30/95/39/938309539.db2.gz YURHSQMOOAVRKR-FSPWUOQZSA-N 1 2 368.880 3.712 20 30 FHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCc3cc(F)ccc31)C2 ZINC000329296750 938332236 /nfs/dbraw/zinc/33/22/36/938332236.db2.gz SXNNJKRFOFYZEK-RDJZCZTQSA-N 1 2 370.472 3.826 20 30 FHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(-c4ccsc4)n3)C2)nc1 ZINC000583686508 938361478 /nfs/dbraw/zinc/36/14/78/938361478.db2.gz CNMOIFQILYUPIA-INIZCTEOSA-N 1 2 368.487 3.792 20 30 FHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)nc1 ZINC000583686508 938361481 /nfs/dbraw/zinc/36/14/81/938361481.db2.gz CNMOIFQILYUPIA-INIZCTEOSA-N 1 2 368.487 3.792 20 30 FHEDLO CC(C)Oc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000052638231 938457929 /nfs/dbraw/zinc/45/79/29/938457929.db2.gz TYOVETJXOHHOOS-UHFFFAOYSA-N 1 2 366.465 3.533 20 30 FHEDLO N#Cc1ccccc1/C=C\C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000255584625 938575421 /nfs/dbraw/zinc/57/54/21/938575421.db2.gz QPERWSMXIMZSBI-HJWRWDBZSA-N 1 2 352.463 3.653 20 30 FHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000162123166 938667466 /nfs/dbraw/zinc/66/74/66/938667466.db2.gz JSXGNTAXXXVHDR-JKSUJKDBSA-N 1 2 368.506 3.769 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H](C)c2nccs2)c1C#N ZINC000612187957 939221684 /nfs/dbraw/zinc/22/16/84/939221684.db2.gz ZRCSXSITDLIAJP-CQSZACIVSA-N 1 2 351.479 3.744 20 30 FHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H](C)c2nccs2)c1C#N ZINC000612187957 939221687 /nfs/dbraw/zinc/22/16/87/939221687.db2.gz ZRCSXSITDLIAJP-CQSZACIVSA-N 1 2 351.479 3.744 20 30 FHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@](C)(C#N)C2)c(C)c1 ZINC000612379453 940033697 /nfs/dbraw/zinc/03/36/97/940033697.db2.gz MEVXEUPLKUSXAB-TZIWHRDSSA-N 1 2 365.481 3.577 20 30 FHEDLO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@](C)(C#N)C3)o2)c([N+](=O)[O-])c1 ZINC000612406472 940046144 /nfs/dbraw/zinc/04/61/44/940046144.db2.gz MWIRQUCTSXHVPT-LJQANCHMSA-N 1 2 355.394 3.989 20 30 FHEDLO COc1ccc(-c2ccc(C[N@H+]3CCC[C@](C)(C#N)C3)o2)c([N+](=O)[O-])c1 ZINC000612406472 940046148 /nfs/dbraw/zinc/04/61/48/940046148.db2.gz MWIRQUCTSXHVPT-LJQANCHMSA-N 1 2 355.394 3.989 20 30 FHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000612474965 940087252 /nfs/dbraw/zinc/08/72/52/940087252.db2.gz ZRKDRETVSFEMDP-GOSISDBHSA-N 1 2 364.836 3.659 20 30 FHEDLO CCCCc1nc(CO[NH+]=C(N)Cc2ccc(OC)c(OC)c2)cs1 ZINC000065948591 940108380 /nfs/dbraw/zinc/10/83/80/940108380.db2.gz NFJFHLYWNZZYPQ-UHFFFAOYSA-N 1 2 363.483 3.534 20 30 FHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@@H](COCC)C2)c1=S ZINC000177633095 940329862 /nfs/dbraw/zinc/32/98/62/940329862.db2.gz JLVSUYSHRNSSNR-GOSISDBHSA-N 1 2 372.538 3.507 20 30 FHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@@H](COCC)C2)c1=S ZINC000177633095 940329866 /nfs/dbraw/zinc/32/98/66/940329866.db2.gz JLVSUYSHRNSSNR-GOSISDBHSA-N 1 2 372.538 3.507 20 30 FHEDLO C[N@@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580884502 940489989 /nfs/dbraw/zinc/48/99/89/940489989.db2.gz IQZFZAATUNZQOP-GDBMZVCRSA-N 1 2 365.239 3.678 20 30 FHEDLO C[N@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580884502 940489990 /nfs/dbraw/zinc/48/99/90/940489990.db2.gz IQZFZAATUNZQOP-GDBMZVCRSA-N 1 2 365.239 3.678 20 30 FHEDLO CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)cs1 ZINC000173669507 940658474 /nfs/dbraw/zinc/65/84/74/940658474.db2.gz VZNNSFXJMSZZFK-CQSZACIVSA-N 1 2 372.494 3.573 20 30 FHEDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)cs1 ZINC000173669507 940658477 /nfs/dbraw/zinc/65/84/77/940658477.db2.gz VZNNSFXJMSZZFK-CQSZACIVSA-N 1 2 372.494 3.573 20 30 FHEDLO CC(C)(C)c1ccc(C#N)c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000613411338 940681680 /nfs/dbraw/zinc/68/16/80/940681680.db2.gz IJTPDGJRPOQCDL-LJQANCHMSA-N 1 2 364.493 3.736 20 30 FHEDLO C[C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc2ccccc2o1 ZINC000330077720 945347153 /nfs/dbraw/zinc/34/71/53/945347153.db2.gz NENDRSBZYUUWMZ-YWZLYKJASA-N 1 2 374.506 3.701 20 30 FHEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000330109580 945359881 /nfs/dbraw/zinc/35/98/81/945359881.db2.gz PJCLUGGQWUPSOF-MSOLQXFVSA-N 1 2 374.529 3.878 20 30 FHEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000330109581 945360171 /nfs/dbraw/zinc/36/01/71/945360171.db2.gz PJCLUGGQWUPSOF-QZTJIDSGSA-N 1 2 374.529 3.878 20 30 FHEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)C2CC2)cc1 ZINC000330123325 945365168 /nfs/dbraw/zinc/36/51/68/945365168.db2.gz KTNZRISFCALJCX-BULFRSBZSA-N 1 2 372.509 3.673 20 30 FHEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)C2CC2)cc1 ZINC000330123325 945365179 /nfs/dbraw/zinc/36/51/79/945365179.db2.gz KTNZRISFCALJCX-BULFRSBZSA-N 1 2 372.509 3.673 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000180463760 941023943 /nfs/dbraw/zinc/02/39/43/941023943.db2.gz LTRMXDDWRPYWAH-UHFFFAOYSA-N 1 2 363.417 3.636 20 30 FHEDLO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000180463760 941023946 /nfs/dbraw/zinc/02/39/46/941023946.db2.gz LTRMXDDWRPYWAH-UHFFFAOYSA-N 1 2 363.417 3.636 20 30 FHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000189022607 941141443 /nfs/dbraw/zinc/14/14/43/941141443.db2.gz VFMQEPJUGVQJQO-HNNXBMFYSA-N 1 2 373.416 3.561 20 30 FHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000589345667 941265276 /nfs/dbraw/zinc/26/52/76/941265276.db2.gz XNJIOCWQRHRPKN-UHFFFAOYSA-N 1 2 370.456 3.560 20 30 FHEDLO CC(C)[N@@H+]1CCc2nc(/C=C3/Cc4c(ccc(O)c4F)C3=O)sc2C1 ZINC000376593102 941275585 /nfs/dbraw/zinc/27/55/85/941275585.db2.gz PTWQACCVPBBXKT-FLIBITNWSA-N 1 2 358.438 3.577 20 30 FHEDLO CC(C)[N@H+]1CCc2nc(/C=C3/Cc4c(ccc(O)c4F)C3=O)sc2C1 ZINC000376593102 941275586 /nfs/dbraw/zinc/27/55/86/941275586.db2.gz PTWQACCVPBBXKT-FLIBITNWSA-N 1 2 358.438 3.577 20 30 FHEDLO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000330010973 941288407 /nfs/dbraw/zinc/28/84/07/941288407.db2.gz HLZGCHJQNSVKDY-KBPBESRZSA-N 1 2 354.376 3.707 20 30 FHEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000565704629 941643856 /nfs/dbraw/zinc/64/38/56/941643856.db2.gz HMNHGNAUGNPOIV-IFMALSPDSA-N 1 2 363.436 3.624 20 30 FHEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000565704629 941643858 /nfs/dbraw/zinc/64/38/58/941643858.db2.gz HMNHGNAUGNPOIV-IFMALSPDSA-N 1 2 363.436 3.624 20 30 FHEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000501024134 942268285 /nfs/dbraw/zinc/26/82/85/942268285.db2.gz VFLNTASPVWFTKH-UHFFFAOYSA-N 1 2 350.462 3.518 20 30 FHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420947917 942271059 /nfs/dbraw/zinc/27/10/59/942271059.db2.gz NJHIUCDVUARWME-NSHDSACASA-N 1 2 359.779 3.815 20 30 FHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420947917 942271063 /nfs/dbraw/zinc/27/10/63/942271063.db2.gz NJHIUCDVUARWME-NSHDSACASA-N 1 2 359.779 3.815 20 30 FHEDLO C=CCC1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCOCC1 ZINC000424855378 942407004 /nfs/dbraw/zinc/40/70/04/942407004.db2.gz UDHWLOANPSDRTQ-UHFFFAOYSA-N 1 2 359.857 3.515 20 30 FHEDLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000419846094 942419265 /nfs/dbraw/zinc/41/92/65/942419265.db2.gz RASJLSDNWSETDE-SFHVURJKSA-N 1 2 374.893 3.782 20 30 FHEDLO COc1cc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)ccc1C#N ZINC000366901324 942507908 /nfs/dbraw/zinc/50/79/08/942507908.db2.gz QBASUUGSQWBKKE-LBPRGKRZSA-N 1 2 352.369 3.607 20 30 FHEDLO N#Cc1ccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000502542895 942520947 /nfs/dbraw/zinc/52/09/47/942520947.db2.gz GNQLHKFJVIGOJK-UHFFFAOYSA-N 1 2 353.224 3.999 20 30 FHEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000502542895 942520952 /nfs/dbraw/zinc/52/09/52/942520952.db2.gz GNQLHKFJVIGOJK-UHFFFAOYSA-N 1 2 353.224 3.999 20 30 FHEDLO N#Cc1ccc2ncc(C[NH2+][C@@H](c3cccc(F)c3)c3ccccn3)n2c1 ZINC000366936197 942550325 /nfs/dbraw/zinc/55/03/25/942550325.db2.gz WDJYFGCBNFXKHC-NRFANRHFSA-N 1 2 357.392 3.619 20 30 FHEDLO CCCCCCCCCCC(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001269832198 942840807 /nfs/dbraw/zinc/84/08/07/942840807.db2.gz JAYLQENVPBBNLY-VQTJNVASSA-N 1 2 368.562 3.670 20 30 FHEDLO CCCCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001269832198 942840813 /nfs/dbraw/zinc/84/08/13/942840813.db2.gz JAYLQENVPBBNLY-VQTJNVASSA-N 1 2 368.562 3.670 20 30 FHEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC[C@H]1C(F)(F)F ZINC000190177217 942854625 /nfs/dbraw/zinc/85/46/25/942854625.db2.gz ADCOTYTXWXFWMX-CHWSQXEVSA-N 1 2 371.428 3.635 20 30 FHEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC[C@H]1C(F)(F)F ZINC000190177217 942854633 /nfs/dbraw/zinc/85/46/33/942854633.db2.gz ADCOTYTXWXFWMX-CHWSQXEVSA-N 1 2 371.428 3.635 20 30 FHEDLO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC(C)(C#N)CC1 ZINC000503279573 943097441 /nfs/dbraw/zinc/09/74/41/943097441.db2.gz ZIJHGXKFAKKUFS-UHFFFAOYSA-N 1 2 353.422 3.550 20 30 FHEDLO CC1(C#N)CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000272556993 943176626 /nfs/dbraw/zinc/17/66/26/943176626.db2.gz SHLUKJANWYVYPD-UHFFFAOYSA-N 1 2 365.271 3.736 20 30 FHEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000053154108 943280981 /nfs/dbraw/zinc/28/09/81/943280981.db2.gz RMAXDNUVNOOANC-MRXNPFEDSA-N 1 2 370.522 3.836 20 30 FHEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000053154108 943280987 /nfs/dbraw/zinc/28/09/87/943280987.db2.gz RMAXDNUVNOOANC-MRXNPFEDSA-N 1 2 370.522 3.836 20 30 FHEDLO N#Cc1ccc(F)c(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000503644293 943307346 /nfs/dbraw/zinc/30/73/46/943307346.db2.gz TVVVJZNVOXRITR-UHFFFAOYSA-N 1 2 353.224 3.999 20 30 FHEDLO N#Cc1ccc(F)c(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000503644293 943307350 /nfs/dbraw/zinc/30/73/50/943307350.db2.gz TVVVJZNVOXRITR-UHFFFAOYSA-N 1 2 353.224 3.999 20 30 FHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000075300474 943422041 /nfs/dbraw/zinc/42/20/41/943422041.db2.gz GNSJQMSWQCCKNH-VXKWHMMOSA-N 1 2 370.456 3.843 20 30 FHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000183965890 943603675 /nfs/dbraw/zinc/60/36/75/943603675.db2.gz BTQIJVYNEVLFLD-ZDUSSCGKSA-N 1 2 358.442 3.670 20 30 FHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(OC(F)F)c1 ZINC000437436545 943814338 /nfs/dbraw/zinc/81/43/38/943814338.db2.gz BNJKOUZMZIYHJT-UHFFFAOYSA-N 1 2 361.367 3.621 20 30 FHEDLO N#CCCC1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000515469493 943910315 /nfs/dbraw/zinc/91/03/15/943910315.db2.gz PKQSKDMKBNBGOQ-UHFFFAOYSA-N 1 2 371.872 3.751 20 30 FHEDLO CCn1c2ccc(Br)cc2[nH+]c1NCc1cccc(C#N)c1 ZINC000436023351 943942820 /nfs/dbraw/zinc/94/28/20/943942820.db2.gz VQAHGNQHPGALRA-UHFFFAOYSA-N 1 2 355.239 3.724 20 30 FHEDLO COc1ccc(Cl)cc1CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000506479192 944311861 /nfs/dbraw/zinc/31/18/61/944311861.db2.gz XCXJWXKUOJGPII-UHFFFAOYSA-N 1 2 361.898 3.600 20 30 FHEDLO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184252817 944351933 /nfs/dbraw/zinc/35/19/33/944351933.db2.gz QDSXNMIHXPLEJV-UHFFFAOYSA-N 1 2 355.369 3.779 20 30 FHEDLO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184252817 944351938 /nfs/dbraw/zinc/35/19/38/944351938.db2.gz QDSXNMIHXPLEJV-UHFFFAOYSA-N 1 2 355.369 3.779 20 30 FHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458856856 944649492 /nfs/dbraw/zinc/64/94/92/944649492.db2.gz YZZOAQVPLOMKRH-IBGZPJMESA-N 1 2 365.481 3.796 20 30 FHEDLO COCC[N@H+](Cc1ccc(C#N)o1)Cc1cc(Br)cs1 ZINC000426398229 944684999 /nfs/dbraw/zinc/68/49/99/944684999.db2.gz WJJLYIZBZCWIMO-UHFFFAOYSA-N 1 2 355.257 3.624 20 30 FHEDLO COCC[N@@H+](Cc1ccc(C#N)o1)Cc1cc(Br)cs1 ZINC000426398229 944685004 /nfs/dbraw/zinc/68/50/04/944685004.db2.gz WJJLYIZBZCWIMO-UHFFFAOYSA-N 1 2 355.257 3.624 20 30 FHEDLO Cc1nc2ccc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cc2s1 ZINC000426046067 944733811 /nfs/dbraw/zinc/73/38/11/944733811.db2.gz PBBKOZZXPZNDIJ-HXUWFJFHSA-N 1 2 362.502 3.987 20 30 FHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2ccccc2)cc1F ZINC000507609209 945371314 /nfs/dbraw/zinc/37/13/14/945371314.db2.gz CSNNALGBCVZAJI-UHFFFAOYSA-N 1 2 367.468 3.541 20 30 FHEDLO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1C ZINC000330145049 945375941 /nfs/dbraw/zinc/37/59/41/945375941.db2.gz ZZIFPJGQIHRSAU-WFXMLNOXSA-N 1 2 360.498 3.591 20 30 FHEDLO Cc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1C ZINC000330145049 945375951 /nfs/dbraw/zinc/37/59/51/945375951.db2.gz ZZIFPJGQIHRSAU-WFXMLNOXSA-N 1 2 360.498 3.591 20 30 FHEDLO CC1(C)C[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c2ccc(F)cc2O1 ZINC000330152043 945377961 /nfs/dbraw/zinc/37/79/61/945377961.db2.gz WMHHYIXDCKPEJP-MRXNPFEDSA-N 1 2 372.444 3.945 20 30 FHEDLO CC1(C)C[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c2ccc(F)cc2O1 ZINC000330152043 945377964 /nfs/dbraw/zinc/37/79/64/945377964.db2.gz WMHHYIXDCKPEJP-MRXNPFEDSA-N 1 2 372.444 3.945 20 30 FHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C)CCCNC3=O)n2)C1 ZINC000330155702 945379664 /nfs/dbraw/zinc/37/96/64/945379664.db2.gz YLCVVNCYVARBPQ-SJKOYZFVSA-N 1 2 350.488 3.720 20 30 FHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C)CCCNC3=O)n2)C1 ZINC000330155702 945379670 /nfs/dbraw/zinc/37/96/70/945379670.db2.gz YLCVVNCYVARBPQ-SJKOYZFVSA-N 1 2 350.488 3.720 20 30 FHEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1cccc2ccccc21 ZINC000330158344 945380495 /nfs/dbraw/zinc/38/04/95/945380495.db2.gz PZOCENCYFGBBBT-DRSNIGMVSA-N 1 2 368.477 3.737 20 30 FHEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1cccc2ccccc21 ZINC000330158344 945380505 /nfs/dbraw/zinc/38/05/05/945380505.db2.gz PZOCENCYFGBBBT-DRSNIGMVSA-N 1 2 368.477 3.737 20 30 FHEDLO O=C(C[N@@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000330164061 945383215 /nfs/dbraw/zinc/38/32/15/945383215.db2.gz SXOINJWMMCAJDQ-UHFFFAOYSA-N 1 2 364.445 3.983 20 30 FHEDLO O=C(C[N@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000330164061 945383223 /nfs/dbraw/zinc/38/32/23/945383223.db2.gz SXOINJWMMCAJDQ-UHFFFAOYSA-N 1 2 364.445 3.983 20 30 FHEDLO Cc1cnc(-c2cccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)o1 ZINC000330251740 945426229 /nfs/dbraw/zinc/42/62/29/945426229.db2.gz NRTVMGFMASOAKZ-UHFFFAOYSA-N 1 2 351.410 3.798 20 30 FHEDLO CN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cn2c([nH+]1)CCCC2 ZINC000330263504 945433096 /nfs/dbraw/zinc/43/30/96/945433096.db2.gz WPBLFDRDVQLXFJ-LJQANCHMSA-N 1 2 352.482 3.685 20 30 FHEDLO Cc1cccc([C@@H]2CCCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)c1C ZINC000330282035 945444280 /nfs/dbraw/zinc/44/42/80/945444280.db2.gz VCHLQOAJOFYTNV-HKUYNNGSSA-N 1 2 352.482 3.956 20 30 FHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CSc2ccc3c(c2)CCC3)CCO1 ZINC000330329118 945568004 /nfs/dbraw/zinc/56/80/04/945568004.db2.gz MHIAOYAVGYPPAX-APWZRJJASA-N 1 2 371.506 3.878 20 30 FHEDLO Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC(=O)NC3CCCCCC3)C1)CCCC2 ZINC000330354709 945659333 /nfs/dbraw/zinc/65/93/33/945659333.db2.gz PSSRJCIUBYOKIY-SFHVURJKSA-N 1 2 358.530 3.996 20 30 FHEDLO Cc1nc2c(n1[C@H]1CC[N@H+](CC(=O)NC3CCCCCC3)C1)CCCC2 ZINC000330354709 945659340 /nfs/dbraw/zinc/65/93/40/945659340.db2.gz PSSRJCIUBYOKIY-SFHVURJKSA-N 1 2 358.530 3.996 20 30 FHEDLO CCOc1c(Br)cc(C[N@H+](CCC#N)C(C)C)cc1OC ZINC000519721722 945674065 /nfs/dbraw/zinc/67/40/65/945674065.db2.gz VZJKJAHXEBSXHC-UHFFFAOYSA-N 1 2 355.276 3.980 20 30 FHEDLO CCOc1c(Br)cc(C[N@@H+](CCC#N)C(C)C)cc1OC ZINC000519721722 945674069 /nfs/dbraw/zinc/67/40/69/945674069.db2.gz VZJKJAHXEBSXHC-UHFFFAOYSA-N 1 2 355.276 3.980 20 30 FHEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cc(C)on2)cc1OC ZINC000066875514 945798511 /nfs/dbraw/zinc/79/85/11/945798511.db2.gz IJLPPFNJPFVNGV-UHFFFAOYSA-N 1 2 367.243 3.609 20 30 FHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000111250572 945869311 /nfs/dbraw/zinc/86/93/11/945869311.db2.gz VIAIBYDETJPYAU-UHFFFAOYSA-N 1 2 353.466 3.971 20 30 FHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000111250572 945869328 /nfs/dbraw/zinc/86/93/28/945869328.db2.gz VIAIBYDETJPYAU-UHFFFAOYSA-N 1 2 353.466 3.971 20 30 FHEDLO C=CC[N@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)[C@H](C)COC ZINC000661245760 945903078 /nfs/dbraw/zinc/90/30/78/945903078.db2.gz FGVPDRQBSLPBIP-CQSZACIVSA-N 1 2 368.437 3.723 20 30 FHEDLO C=CC[N@@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)[C@H](C)COC ZINC000661245760 945903091 /nfs/dbraw/zinc/90/30/91/945903091.db2.gz FGVPDRQBSLPBIP-CQSZACIVSA-N 1 2 368.437 3.723 20 30 FHEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2Br)o1)[C@@H](C)COC ZINC000661247921 945913529 /nfs/dbraw/zinc/91/35/29/945913529.db2.gz RAGKTXQIXCRXGX-LBPRGKRZSA-N 1 2 366.259 3.522 20 30 FHEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2Br)o1)[C@@H](C)COC ZINC000661247921 945913536 /nfs/dbraw/zinc/91/35/36/945913536.db2.gz RAGKTXQIXCRXGX-LBPRGKRZSA-N 1 2 366.259 3.522 20 30 FHEDLO CCCn1c(C)cc(C(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)c1C ZINC000444242962 946119442 /nfs/dbraw/zinc/11/94/42/946119442.db2.gz HCWXNOCKLLOYNZ-UHFFFAOYSA-N 1 2 367.493 3.718 20 30 FHEDLO CCCn1c(C)cc(C(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)c1C ZINC000444242962 946119447 /nfs/dbraw/zinc/11/94/47/946119447.db2.gz HCWXNOCKLLOYNZ-UHFFFAOYSA-N 1 2 367.493 3.718 20 30 FHEDLO C=C1CC(C)(c2noc(-c3cccc(NC(=O)CCn4cc[nH+]c4)c3)n2)C1 ZINC000896913778 946124433 /nfs/dbraw/zinc/12/44/33/946124433.db2.gz KKQSMBXLHGOESH-UHFFFAOYSA-N 1 2 363.421 3.570 20 30 FHEDLO C=CCOc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000520185983 946258501 /nfs/dbraw/zinc/25/85/01/946258501.db2.gz SJKFCYBVHOBODA-HXUWFJFHSA-N 1 2 368.502 3.980 20 30 FHEDLO C=C(C)[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302863936 946357949 /nfs/dbraw/zinc/35/79/49/946357949.db2.gz XEMQPNNUKNCWGL-YWZLYKJASA-N 1 2 374.435 3.835 20 30 FHEDLO C=C(C)[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302863936 946357964 /nfs/dbraw/zinc/35/79/64/946357964.db2.gz XEMQPNNUKNCWGL-YWZLYKJASA-N 1 2 374.435 3.835 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385944 946799359 /nfs/dbraw/zinc/79/93/59/946799359.db2.gz HXWJUNIMOSDWEK-CTNGQTDRSA-N 1 2 352.482 3.749 20 30 FHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385944 946799354 /nfs/dbraw/zinc/79/93/54/946799354.db2.gz HXWJUNIMOSDWEK-CTNGQTDRSA-N 1 2 352.482 3.749 20 30 FHEDLO C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328618017 946958552 /nfs/dbraw/zinc/95/85/52/946958552.db2.gz USUHVMDAVPBWCM-UTKZUKDTSA-N 1 2 352.482 3.728 20 30 FHEDLO C[C@@H]1CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328766464 947017971 /nfs/dbraw/zinc/01/79/71/947017971.db2.gz HGCYPWJAFHJJEO-CRAIPNDOSA-N 1 2 360.502 3.506 20 30 FHEDLO C[C@@H]1CCCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328766464 947017982 /nfs/dbraw/zinc/01/79/82/947017982.db2.gz HGCYPWJAFHJJEO-CRAIPNDOSA-N 1 2 360.502 3.506 20 30 FHEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000328919733 947108917 /nfs/dbraw/zinc/10/89/17/947108917.db2.gz BRRGOSHYWVNDMV-BRWVUGGUSA-N 1 2 362.518 3.590 20 30 FHEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000328966764 947126812 /nfs/dbraw/zinc/12/68/12/947126812.db2.gz NBYSZALIPPXNAW-SESVDKBCSA-N 1 2 368.477 3.944 20 30 FHEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000328966764 947126816 /nfs/dbraw/zinc/12/68/16/947126816.db2.gz NBYSZALIPPXNAW-SESVDKBCSA-N 1 2 368.477 3.944 20 30 FHEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1cccc(C(C)C)c1 ZINC000328984694 947134327 /nfs/dbraw/zinc/13/43/27/947134327.db2.gz SXXJBIGOSJWUJV-SLFFLAALSA-N 1 2 360.498 3.914 20 30 FHEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1cccc(C(C)C)c1 ZINC000328984694 947134333 /nfs/dbraw/zinc/13/43/33/947134333.db2.gz SXXJBIGOSJWUJV-SLFFLAALSA-N 1 2 360.498 3.914 20 30 FHEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000523397685 947229517 /nfs/dbraw/zinc/22/95/17/947229517.db2.gz ZRJRUSDGGNIQBC-UHFFFAOYSA-N 1 2 370.518 3.833 20 30 FHEDLO C=CC[C@H]1N(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCCC1(C)C ZINC000444923922 947341551 /nfs/dbraw/zinc/34/15/51/947341551.db2.gz REPJFBOFRJBOPE-GOSISDBHSA-N 1 2 372.513 3.825 20 30 FHEDLO Cc1cc(N2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000585718077 948232759 /nfs/dbraw/zinc/23/27/59/948232759.db2.gz BTCPHKORBRMQFC-SFHVURJKSA-N 1 2 369.900 3.949 20 30 FHEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)c(C)o1 ZINC000135143314 948374095 /nfs/dbraw/zinc/37/40/95/948374095.db2.gz IWWZNMRBSLUURW-UHFFFAOYSA-N 1 2 365.477 3.656 20 30 FHEDLO C=CCc1cc(C[N@@H+]2CCSC[C@H]2c2nccs2)c(O)c(OC)c1 ZINC000184880497 948669164 /nfs/dbraw/zinc/66/91/64/948669164.db2.gz AYMWGXDSLAWRLU-HNNXBMFYSA-N 1 2 362.520 3.876 20 30 FHEDLO C=CCc1cc(C[N@H+]2CCSC[C@H]2c2nccs2)c(O)c(OC)c1 ZINC000184880497 948669170 /nfs/dbraw/zinc/66/91/70/948669170.db2.gz AYMWGXDSLAWRLU-HNNXBMFYSA-N 1 2 362.520 3.876 20 30 FHEDLO CC(C)C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000602099090 567926521 /nfs/dbraw/zinc/92/65/21/567926521.db2.gz XDAWWOOOHKSXSE-JKSUJKDBSA-N 1 2 364.371 3.870 20 30 FHEDLO N#CCC[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000602130961 567940405 /nfs/dbraw/zinc/94/04/05/567940405.db2.gz ZHYFTZUHJIKBER-LSDHHAIUSA-N 1 2 350.344 3.538 20 30 FHEDLO COc1ccc(C[N@@H+](Cc2nc(C#N)cs2)CC2CCC2)c(OC)c1 ZINC000568148963 567946916 /nfs/dbraw/zinc/94/69/16/567946916.db2.gz ULONEIVGFZJPSX-UHFFFAOYSA-N 1 2 357.479 3.834 20 30 FHEDLO COc1ccc(C[N@H+](Cc2nc(C#N)cs2)CC2CCC2)c(OC)c1 ZINC000568148963 567946918 /nfs/dbraw/zinc/94/69/18/567946918.db2.gz ULONEIVGFZJPSX-UHFFFAOYSA-N 1 2 357.479 3.834 20 30 FHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602884025 568005098 /nfs/dbraw/zinc/00/50/98/568005098.db2.gz ZGSVYTFUDJTXJI-PBHICJAKSA-N 1 2 369.494 3.580 20 30 FHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602884025 568005099 /nfs/dbraw/zinc/00/50/99/568005099.db2.gz ZGSVYTFUDJTXJI-PBHICJAKSA-N 1 2 369.494 3.580 20 30 FHEDLO C[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000602869951 568008973 /nfs/dbraw/zinc/00/89/73/568008973.db2.gz RDXAQWDBTSVRCW-CXAGYDPISA-N 1 2 370.840 3.502 20 30 FHEDLO C=C(C)C[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C(=O)OC ZINC000602735636 568025901 /nfs/dbraw/zinc/02/59/01/568025901.db2.gz YUMGGOSACLVHAK-DOMZBBRYSA-N 1 2 372.387 3.520 20 30 FHEDLO COc1cccc(-c2nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)co2)c1 ZINC000602826025 568046342 /nfs/dbraw/zinc/04/63/42/568046342.db2.gz VMRAHDIHQLPMAL-UHFFFAOYSA-N 1 2 374.444 3.803 20 30 FHEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000568584552 568068875 /nfs/dbraw/zinc/06/88/75/568068875.db2.gz ORDALHUWSQUIIQ-UHFFFAOYSA-N 1 2 360.417 3.661 20 30 FHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481632723 568072115 /nfs/dbraw/zinc/07/21/15/568072115.db2.gz VRRJQSIICAOQKW-UHFFFAOYSA-N 1 2 358.844 3.920 20 30 FHEDLO C[C@H](C#N)CN(C)C(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000068225961 568084683 /nfs/dbraw/zinc/08/46/83/568084683.db2.gz ALZMKFIUSRFNCT-OAHLLOKOSA-N 1 2 364.474 3.858 20 30 FHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000603855782 568168040 /nfs/dbraw/zinc/16/80/40/568168040.db2.gz QCJAISFUMKHAOR-FUHWJXTLSA-N 1 2 366.292 3.939 20 30 FHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000603855782 568168041 /nfs/dbraw/zinc/16/80/41/568168041.db2.gz QCJAISFUMKHAOR-FUHWJXTLSA-N 1 2 366.292 3.939 20 30 FHEDLO CC(C)[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccn1 ZINC000603858513 568169277 /nfs/dbraw/zinc/16/92/77/568169277.db2.gz LAFZRKMWFGVQRH-UHFFFAOYSA-N 1 2 370.884 3.892 20 30 FHEDLO CC(C)[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccn1 ZINC000603858513 568169278 /nfs/dbraw/zinc/16/92/78/568169278.db2.gz LAFZRKMWFGVQRH-UHFFFAOYSA-N 1 2 370.884 3.892 20 30 FHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cc2)c1 ZINC000365275557 568394534 /nfs/dbraw/zinc/39/45/34/568394534.db2.gz DOJUGOKMMBEMBW-SFHVURJKSA-N 1 2 372.428 3.535 20 30 FHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000569948682 568444128 /nfs/dbraw/zinc/44/41/28/568444128.db2.gz XYRSCRSFOOIDGP-UHFFFAOYSA-N 1 2 368.343 3.657 20 30 FHEDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000570066635 568456204 /nfs/dbraw/zinc/45/62/04/568456204.db2.gz DXZOCTYPAJEGLK-UHFFFAOYSA-N 1 2 366.461 3.911 20 30 FHEDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000570066635 568456205 /nfs/dbraw/zinc/45/62/05/568456205.db2.gz DXZOCTYPAJEGLK-UHFFFAOYSA-N 1 2 366.461 3.911 20 30 FHEDLO N#Cc1ccnc(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)c1 ZINC000570629862 568492012 /nfs/dbraw/zinc/49/20/12/568492012.db2.gz FOBOOHIHXSEYBM-UHFFFAOYSA-N 1 2 359.433 3.989 20 30 FHEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccc(Cl)s1 ZINC000007592154 568537499 /nfs/dbraw/zinc/53/74/99/568537499.db2.gz UIBVVNVHJAFXDE-UHFFFAOYSA-N 1 2 352.862 3.845 20 30 FHEDLO C=CC[N@H+](CC(=O)NCc1ccccc1F)Cc1ccc(Cl)s1 ZINC000007592154 568537500 /nfs/dbraw/zinc/53/75/00/568537500.db2.gz UIBVVNVHJAFXDE-UHFFFAOYSA-N 1 2 352.862 3.845 20 30 FHEDLO