smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CNC(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000081983839 398378135 /nfs/dbraw/zinc/37/81/35/398378135.db2.gz RANMHYCRUJTLJR-ZFWWWQNUSA-N 1 3 306.479 2.611 20 30 DFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cccc(Cl)c1C#N ZINC000596365189 398395511 /nfs/dbraw/zinc/39/55/11/398395511.db2.gz VSFSNOWPBBOEJM-ZDUSSCGKSA-N 1 3 308.857 2.896 20 30 DFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cccc(Cl)c1C#N ZINC000596365189 398395513 /nfs/dbraw/zinc/39/55/13/398395513.db2.gz VSFSNOWPBBOEJM-ZDUSSCGKSA-N 1 3 308.857 2.896 20 30 DFEDHO CN(C)Cc1cccc(CNC(=[NH2+])NC2CCCCCC2)c1 ZINC000092277523 398564937 /nfs/dbraw/zinc/56/49/37/398564937.db2.gz TWOGNZYUAONYRF-UHFFFAOYSA-N 1 3 302.466 2.875 20 30 DFEDHO CC[NH+](CC)CCOC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000075007863 398780351 /nfs/dbraw/zinc/78/03/51/398780351.db2.gz MEPSFTWBOFFCFC-UHFFFAOYSA-N 1 3 315.461 2.881 20 30 DFEDHO CC(C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598398325 398806174 /nfs/dbraw/zinc/80/61/74/398806174.db2.gz ZKBAQAWTQBTMFG-WBVHZDCISA-N 1 3 311.429 2.565 20 30 DFEDHO CC(C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598398325 398806177 /nfs/dbraw/zinc/80/61/77/398806177.db2.gz ZKBAQAWTQBTMFG-WBVHZDCISA-N 1 3 311.429 2.565 20 30 DFEDHO C[C@H](CCNC[C@@H](O)CC(C)(C)C#N)[N@H+](C)Cc1ccccc1 ZINC000598722145 398861610 /nfs/dbraw/zinc/86/16/10/398861610.db2.gz ZIKOHCJJEIZKTM-AEFFLSMTSA-N 1 3 317.477 2.787 20 30 DFEDHO C[C@H](CCNC[C@@H](O)CC(C)(C)C#N)[N@@H+](C)Cc1ccccc1 ZINC000598722145 398861613 /nfs/dbraw/zinc/86/16/13/398861613.db2.gz ZIKOHCJJEIZKTM-AEFFLSMTSA-N 1 3 317.477 2.787 20 30 DFEDHO C[NH+](C)CCC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000056521738 398976843 /nfs/dbraw/zinc/97/68/43/398976843.db2.gz GPVVSTGKFNXQKX-UHFFFAOYSA-N 1 3 301.434 2.601 20 30 DFEDHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C#N ZINC000600711062 399120024 /nfs/dbraw/zinc/12/00/24/399120024.db2.gz QRRRKFNYUQZBGR-UHOSZYNNSA-N 1 3 313.445 2.585 20 30 DFEDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC000614402320 399225891 /nfs/dbraw/zinc/22/58/91/399225891.db2.gz SNKMQXGBFLWAID-LJQANCHMSA-N 1 3 315.461 2.799 20 30 DFEDHO CCCN1CCC([N@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000109786032 194285186 /nfs/dbraw/zinc/28/51/86/194285186.db2.gz OZRMITGDKPKKKA-UHFFFAOYSA-N 1 3 301.434 2.743 20 30 DFEDHO CCCN1CCC([N@@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000109786032 194285188 /nfs/dbraw/zinc/28/51/88/194285188.db2.gz OZRMITGDKPKKKA-UHFFFAOYSA-N 1 3 301.434 2.743 20 30 DFEDHO CCCN1CCC([N@H+](C)CCOc2ccccc2C#N)CC1 ZINC000109786888 194286050 /nfs/dbraw/zinc/28/60/50/194286050.db2.gz IYOKOBZPZUMZJO-UHFFFAOYSA-N 1 3 301.434 2.743 20 30 DFEDHO CCCN1CCC([N@@H+](C)CCOc2ccccc2C#N)CC1 ZINC000109786888 194286051 /nfs/dbraw/zinc/28/60/51/194286051.db2.gz IYOKOBZPZUMZJO-UHFFFAOYSA-N 1 3 301.434 2.743 20 30 DFEDHO C[C@H](CCC#N)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000602690088 399522073 /nfs/dbraw/zinc/52/20/73/399522073.db2.gz LDOLNNVKLYVFPE-QGZVFWFLSA-N 1 3 315.461 2.543 20 30 DFEDHO C#C[C@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000289316201 335061767 /nfs/dbraw/zinc/06/17/67/335061767.db2.gz FHIAXOWFVSPXMZ-IBGZPJMESA-N 1 3 313.489 2.964 20 30 DFEDHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000305818981 287023042 /nfs/dbraw/zinc/02/30/42/287023042.db2.gz NSVKPZRQHAXOPL-ZBFHGGJFSA-N 1 3 319.424 2.585 20 30 DFEDHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000305818981 287023043 /nfs/dbraw/zinc/02/30/43/287023043.db2.gz NSVKPZRQHAXOPL-ZBFHGGJFSA-N 1 3 319.424 2.585 20 30 DFEDHO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000678050272 544589384 /nfs/dbraw/zinc/58/93/84/544589384.db2.gz WVVKWTNRQQBLDN-AQNXPRMDSA-N 1 3 314.473 2.910 20 30 DFEDHO C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000678050272 544589389 /nfs/dbraw/zinc/58/93/89/544589389.db2.gz WVVKWTNRQQBLDN-AQNXPRMDSA-N 1 3 314.473 2.910 20 30 DFEDHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000421356991 267334690 /nfs/dbraw/zinc/33/46/90/267334690.db2.gz MOWBSTPZVXNQRB-QGZVFWFLSA-N 1 3 301.409 2.861 20 30 DFEDHO C[NH+](C)CCC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264989917 426579108 /nfs/dbraw/zinc/57/91/08/426579108.db2.gz MSUHEQMFBJCWFR-UHFFFAOYSA-N 1 3 301.434 2.753 20 30 DFEDHO C=CCC[C@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247657438 426956628 /nfs/dbraw/zinc/95/66/28/426956628.db2.gz XENQGRIOJQJMQK-MOPGFXCFSA-N 1 3 302.462 2.767 20 30 DFEDHO C=CCC[C@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247657438 426956633 /nfs/dbraw/zinc/95/66/33/426956633.db2.gz XENQGRIOJQJMQK-MOPGFXCFSA-N 1 3 302.462 2.767 20 30 DFEDHO Cn1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1C#N ZINC000190948577 427213114 /nfs/dbraw/zinc/21/31/14/427213114.db2.gz WQETZEPKFGDQLG-SFHVURJKSA-N 1 3 322.456 2.551 20 30 DFEDHO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262424943 427359643 /nfs/dbraw/zinc/35/96/43/427359643.db2.gz RANMHYCRUJTLJR-DZGCQCFKSA-N 1 3 306.479 2.611 20 30 DFEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCOCCC#N)CC1 ZINC000339026174 427632194 /nfs/dbraw/zinc/63/21/94/427632194.db2.gz WMIVUHTZWRQARG-KRWDZBQOSA-N 1 3 307.482 2.893 20 30 DFEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCOCCC#N)CC1 ZINC000339026174 427632202 /nfs/dbraw/zinc/63/22/02/427632202.db2.gz WMIVUHTZWRQARG-KRWDZBQOSA-N 1 3 307.482 2.893 20 30 DFEDHO C=CCOCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000348060892 428634486 /nfs/dbraw/zinc/63/44/86/428634486.db2.gz SEVYJJWTQDIRJY-QZTJIDSGSA-N 1 3 324.509 2.790 20 30 DFEDHO C=CCOCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348060887 428634860 /nfs/dbraw/zinc/63/48/60/428634860.db2.gz SEVYJJWTQDIRJY-HDICACEKSA-N 1 3 324.509 2.790 20 30 DFEDHO C[C@H]1C[N@H+](CCCN[C@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670893 428650323 /nfs/dbraw/zinc/65/03/23/428650323.db2.gz WARIDSRYCLLGHK-KXBFYZLASA-N 1 3 313.445 2.636 20 30 DFEDHO C[C@H]1C[N@@H+](CCCN[C@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670893 428650327 /nfs/dbraw/zinc/65/03/27/428650327.db2.gz WARIDSRYCLLGHK-KXBFYZLASA-N 1 3 313.445 2.636 20 30 DFEDHO N#CC1(CCCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CCOCC1 ZINC000374161198 428664851 /nfs/dbraw/zinc/66/48/51/428664851.db2.gz LUGJEWNHNCHIBS-KURKYZTESA-N 1 3 317.477 2.503 20 30 DFEDHO N#CC1(CCCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CCOCC1 ZINC000374161198 428664854 /nfs/dbraw/zinc/66/48/54/428664854.db2.gz LUGJEWNHNCHIBS-KURKYZTESA-N 1 3 317.477 2.503 20 30 DFEDHO N#CC1(CCCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CCOCC1 ZINC000374161204 428665688 /nfs/dbraw/zinc/66/56/88/428665688.db2.gz LUGJEWNHNCHIBS-SQNIBIBYSA-N 1 3 317.477 2.503 20 30 DFEDHO N#CC1(CCCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CCOCC1 ZINC000374161204 428665691 /nfs/dbraw/zinc/66/56/91/428665691.db2.gz LUGJEWNHNCHIBS-SQNIBIBYSA-N 1 3 317.477 2.503 20 30 DFEDHO C=CCOCCCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348315277 428706132 /nfs/dbraw/zinc/70/61/32/428706132.db2.gz ILLAVGPMOLPEFB-OALUTQOASA-N 1 3 300.446 2.643 20 30 DFEDHO N#CCCC[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000424132944 429096888 /nfs/dbraw/zinc/09/68/88/429096888.db2.gz LJBKMBXJUWKYPM-KRWDZBQOSA-N 1 3 314.433 2.632 20 30 DFEDHO C=CCc1cc(CN2CCC[C@H](CC[NH3+])C2)cc(OC)c1O ZINC000442918067 429241397 /nfs/dbraw/zinc/24/13/97/429241397.db2.gz BVBKNPRTRIDLRM-CQSZACIVSA-N 1 3 304.434 2.690 20 30 DFEDHO Cc1cc(CNC2CC[NH+](CCOC(C)C)CC2)ccc1C#N ZINC000444000063 429262349 /nfs/dbraw/zinc/26/23/49/429262349.db2.gz ZUQBTSOPBNLFEN-UHFFFAOYSA-N 1 3 315.461 2.846 20 30 DFEDHO CC(C)[NH2+]CCCNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000571312863 430619300 /nfs/dbraw/zinc/61/93/00/430619300.db2.gz ILGDTBIHHYUDOB-UHFFFAOYSA-N 1 3 300.450 2.505 20 30 DFEDHO CC(C)NCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000571312863 430619303 /nfs/dbraw/zinc/61/93/03/430619303.db2.gz ILGDTBIHHYUDOB-UHFFFAOYSA-N 1 3 300.450 2.505 20 30 DFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000657881868 430759265 /nfs/dbraw/zinc/75/92/65/430759265.db2.gz ZCORYLYHDRHJPH-ZIFCJYIRSA-N 1 3 305.510 2.879 20 30 DFEDHO C=CC[C@@]1(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000662413218 431075288 /nfs/dbraw/zinc/07/52/88/431075288.db2.gz NNUMHRMANLCEOC-MJGOQNOKSA-N 1 3 315.461 2.624 20 30 DFEDHO C=C(C)[C@H](CO)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603519 431192646 /nfs/dbraw/zinc/19/26/46/431192646.db2.gz RDBHAUDNTPUACO-RDJZCZTQSA-N 1 3 308.491 2.747 20 30 DFEDHO C=C(C)[C@H](CO)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603519 431192652 /nfs/dbraw/zinc/19/26/52/431192652.db2.gz RDBHAUDNTPUACO-RDJZCZTQSA-N 1 3 308.491 2.747 20 30 DFEDHO C=CC[C@]1(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662680283 431160379 /nfs/dbraw/zinc/16/03/79/431160379.db2.gz UMJNOWURICDOGC-PKOBYXMFSA-N 1 3 321.509 2.557 20 30 DFEDHO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000565844289 302244844 /nfs/dbraw/zinc/24/48/44/302244844.db2.gz XTPZABZHHSTXAD-GYXIZQIFSA-N 1 3 314.433 2.503 20 30 DFEDHO C[C@@H]1C[C@@H](N(C)Cc2ccc(N(C)CCC#N)cc2)CC[N@@H+]1C ZINC000093644635 332140887 /nfs/dbraw/zinc/14/08/87/332140887.db2.gz UKIKBNNEZXXEMI-APWZRJJASA-N 1 3 314.477 2.951 20 30 DFEDHO C[C@@H]1C[C@@H](N(C)Cc2ccc(N(C)CCC#N)cc2)CC[N@H+]1C ZINC000093644635 332140888 /nfs/dbraw/zinc/14/08/88/332140888.db2.gz UKIKBNNEZXXEMI-APWZRJJASA-N 1 3 314.477 2.951 20 30 DFEDHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181557690 333170197 /nfs/dbraw/zinc/17/01/97/333170197.db2.gz QIODEZZQAXPTDR-JKSUJKDBSA-N 1 3 301.434 2.971 20 30 DFEDHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185784468 333214062 /nfs/dbraw/zinc/21/40/62/333214062.db2.gz LMYIDXFMDMJILD-DOTOQJQBSA-N 1 3 301.434 2.799 20 30 DFEDHO C=CCOc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414796308 334099619 /nfs/dbraw/zinc/09/96/19/334099619.db2.gz HLQWYWUJMZAISU-HZPDHXFCSA-N 1 3 304.434 2.867 20 30 DFEDHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000290450225 334172850 /nfs/dbraw/zinc/17/28/50/334172850.db2.gz VYISETBBYGEEAC-DOTOQJQBSA-N 1 3 316.449 2.584 20 30 DFEDHO C=CCOc1ccc(CN2CCC(C[NH2+]C)CC2)cc1OC ZINC000347071618 335463647 /nfs/dbraw/zinc/46/36/47/335463647.db2.gz QKGKLTZIQAFETM-UHFFFAOYSA-N 1 3 304.434 2.691 20 30 DFEDHO C=CCc1cc(CN2CCC([C@@H](C)[NH3+])CC2)cc(OC)c1O ZINC000347128299 335468086 /nfs/dbraw/zinc/46/80/86/335468086.db2.gz PFZQQZXDOUJKHM-CYBMUJFWSA-N 1 3 304.434 2.689 20 30 DFEDHO N#CC1(F)CCN(CCCCC[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352462606 336220545 /nfs/dbraw/zinc/22/05/45/336220545.db2.gz FAHGRQORDDNHJX-UHFFFAOYSA-N 1 3 324.419 2.812 20 30 DFEDHO C=CCC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000305092844 337013208 /nfs/dbraw/zinc/01/32/08/337013208.db2.gz QODDWJWLUIDSIG-ZIFCJYIRSA-N 1 3 324.509 2.525 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123272552 337041821 /nfs/dbraw/zinc/04/18/21/337041821.db2.gz OBSMFGMEEZTMPN-KRWDZBQOSA-N 1 3 323.525 2.853 20 30 DFEDHO C#Cc1ccc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000377650717 337057470 /nfs/dbraw/zinc/05/74/70/337057470.db2.gz NTNWHCTXHDRLSI-PWIZWCRZSA-N 1 3 312.457 2.647 20 30 DFEDHO C#Cc1ccc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000377650717 337057471 /nfs/dbraw/zinc/05/74/71/337057471.db2.gz NTNWHCTXHDRLSI-PWIZWCRZSA-N 1 3 312.457 2.647 20 30 DFEDHO C=CCNC(=O)[C@H](C)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000182738023 337189580 /nfs/dbraw/zinc/18/95/80/337189580.db2.gz FUCHZNLUQGYNIC-INIZCTEOSA-N 1 3 309.498 2.511 20 30 DFEDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433472757 338195378 /nfs/dbraw/zinc/19/53/78/338195378.db2.gz VBXJNTIVNNZBHN-NXHRZFHOSA-N 1 3 313.445 2.558 20 30 DFEDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433472757 338195379 /nfs/dbraw/zinc/19/53/79/338195379.db2.gz VBXJNTIVNNZBHN-NXHRZFHOSA-N 1 3 313.445 2.558 20 30 DFEDHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594440487 398803456 /nfs/dbraw/zinc/80/34/56/398803456.db2.gz DJJVKZSZOKGYCZ-QGZVFWFLSA-N 1 3 316.449 2.878 20 30 DFEDHO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000598621250 398842748 /nfs/dbraw/zinc/84/27/48/398842748.db2.gz SXCWTFUXCQCQGP-SFHVURJKSA-N 1 3 315.461 2.541 20 30 DFEDHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000595058349 398899176 /nfs/dbraw/zinc/89/91/76/398899176.db2.gz ACXONGCISZZBDT-LSDHHAIUSA-N 1 3 320.456 2.620 20 30 DFEDHO C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C#N)c(F)c1 ZINC000595102800 398906099 /nfs/dbraw/zinc/90/60/99/398906099.db2.gz MAEXVDAASNTFRY-SUMWQHHRSA-N 1 3 317.408 2.601 20 30 DFEDHO C[N@@H+]1CCCC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600313134 399031172 /nfs/dbraw/zinc/03/11/72/399031172.db2.gz IBKDKMUWXRJBAG-ROUUACIJSA-N 1 3 313.445 2.607 20 30 DFEDHO C[N@H+]1CCCC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600313134 399031180 /nfs/dbraw/zinc/03/11/80/399031180.db2.gz IBKDKMUWXRJBAG-ROUUACIJSA-N 1 3 313.445 2.607 20 30 DFEDHO CC[NH+](CC)Cc1ccccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600713610 399121883 /nfs/dbraw/zinc/12/18/83/399121883.db2.gz CWFAFMHYETXRSN-GOSISDBHSA-N 1 3 315.461 2.673 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NCC1([NH+](C)C)CCCCC1 ZINC000602512932 399464991 /nfs/dbraw/zinc/46/49/91/399464991.db2.gz YFHMJHCTNHMXPJ-INIZCTEOSA-N 1 3 307.482 2.939 20 30 DFEDHO CN(C)CCOc1ccc(CC[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602538332 399470647 /nfs/dbraw/zinc/47/06/47/399470647.db2.gz KEMMNPGIQNZXSV-UHFFFAOYSA-N 1 3 315.461 2.841 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCC1(C[NH+](C)C)CCCC1 ZINC000602616162 399490774 /nfs/dbraw/zinc/49/07/74/399490774.db2.gz LFDXMBULOJMGAZ-MRXNPFEDSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NCC(C)(C)C[NH+]1CCCC1 ZINC000602629871 399496252 /nfs/dbraw/zinc/49/62/52/399496252.db2.gz KLHUNQHQGMLJNM-INIZCTEOSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000602629871 399496254 /nfs/dbraw/zinc/49/62/54/399496254.db2.gz KLHUNQHQGMLJNM-INIZCTEOSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@@H](CCC#N)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000602706876 399531456 /nfs/dbraw/zinc/53/14/56/399531456.db2.gz HUESMFQIFGIOCA-INIZCTEOSA-N 1 3 300.450 2.823 20 30 DFEDHO CC[NH+](CC)CCOCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000612574247 399679647 /nfs/dbraw/zinc/67/96/47/399679647.db2.gz XFLMUWZMSMWMIO-LJQANCHMSA-N 1 3 315.461 2.884 20 30 DFEDHO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156278698 425934065 /nfs/dbraw/zinc/93/40/65/425934065.db2.gz QDUATTVQHCYRRV-UHFFFAOYSA-N 1 3 315.461 2.519 20 30 DFEDHO N#Cc1ccc2ncc(CNCCCCC[NH+]3CCCC3)n2c1 ZINC000339500031 268224825 /nfs/dbraw/zinc/22/48/25/268224825.db2.gz LIAACKAKZMPHLX-UHFFFAOYSA-N 1 3 311.433 2.562 20 30 DFEDHO CC(C)CCNC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000264134164 426502879 /nfs/dbraw/zinc/50/28/79/426502879.db2.gz ZBICOEXURJBGIX-OAHLLOKOSA-N 1 3 322.522 2.911 20 30 DFEDHO C=CCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000265825936 426696320 /nfs/dbraw/zinc/69/63/20/426696320.db2.gz SVPCUDVPZGGFTG-LJQANCHMSA-N 1 3 302.462 2.940 20 30 DFEDHO C=CCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000265825936 426696324 /nfs/dbraw/zinc/69/63/24/426696324.db2.gz SVPCUDVPZGGFTG-LJQANCHMSA-N 1 3 302.462 2.940 20 30 DFEDHO COc1cc(CNCc2cccc(C[NH+](C)C)c2)ccc1C#N ZINC000281821417 426773197 /nfs/dbraw/zinc/77/31/97/426773197.db2.gz WYPUOTIJWRYYEF-UHFFFAOYSA-N 1 3 309.413 2.918 20 30 DFEDHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030943 426974119 /nfs/dbraw/zinc/97/41/19/426974119.db2.gz QIJPNKVLDVVOMH-IEBWSBKVSA-N 1 3 313.445 2.743 20 30 DFEDHO C[N@H+]1CCC[C@@H]2CN(CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030943 426974129 /nfs/dbraw/zinc/97/41/29/426974129.db2.gz QIJPNKVLDVVOMH-IEBWSBKVSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030943 426974134 /nfs/dbraw/zinc/97/41/34/426974134.db2.gz QIJPNKVLDVVOMH-IEBWSBKVSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030943 426974142 /nfs/dbraw/zinc/97/41/42/426974142.db2.gz QIJPNKVLDVVOMH-IEBWSBKVSA-N 1 3 313.445 2.743 20 30 DFEDHO CC[NH+]=C(NCCNc1ccncc1)N1CCc2ccccc21 ZINC000263232988 427442689 /nfs/dbraw/zinc/44/26/89/427442689.db2.gz IPHSFWMOGOBSNT-UHFFFAOYSA-N 1 3 309.417 2.522 20 30 DFEDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271946359 427600539 /nfs/dbraw/zinc/60/05/39/427600539.db2.gz NMBSZZIZLBFDBE-BBRMVZONSA-N 1 3 307.413 2.705 20 30 DFEDHO CCCCNC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304599981 427938892 /nfs/dbraw/zinc/93/88/92/427938892.db2.gz GWFBXZPNIPXLLM-UKRRQHHQSA-N 1 3 308.495 2.835 20 30 DFEDHO C=CCOc1ccccc1CN1CCC(OCCC[NH3+])CC1 ZINC000346660337 428260749 /nfs/dbraw/zinc/26/07/49/428260749.db2.gz AOGPNUYNVKAOKU-UHFFFAOYSA-N 1 3 304.434 2.581 20 30 DFEDHO C=CCc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1O ZINC000346848871 428344505 /nfs/dbraw/zinc/34/45/05/428344505.db2.gz OODQDXDCXRIROC-BBWFWOEESA-N 1 3 316.445 2.689 20 30 DFEDHO CC(C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342988652 428499449 /nfs/dbraw/zinc/49/94/49/428499449.db2.gz OEOXNERFJMWNQC-MRXNPFEDSA-N 1 3 311.429 2.661 20 30 DFEDHO CC(C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342988652 428499455 /nfs/dbraw/zinc/49/94/55/428499455.db2.gz OEOXNERFJMWNQC-MRXNPFEDSA-N 1 3 311.429 2.661 20 30 DFEDHO CC(C#N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000357819606 428564309 /nfs/dbraw/zinc/56/43/09/428564309.db2.gz DWTGRIMOHVSMQI-OWCLPIDISA-N 1 3 313.445 2.940 20 30 DFEDHO CC(C#N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000357819606 428564316 /nfs/dbraw/zinc/56/43/16/428564316.db2.gz DWTGRIMOHVSMQI-OWCLPIDISA-N 1 3 313.445 2.940 20 30 DFEDHO CC(C#N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000357819607 428566033 /nfs/dbraw/zinc/56/60/33/428566033.db2.gz DWTGRIMOHVSMQI-XHSDSOJGSA-N 1 3 313.445 2.940 20 30 DFEDHO CC(C#N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000357819607 428566040 /nfs/dbraw/zinc/56/60/40/428566040.db2.gz DWTGRIMOHVSMQI-XHSDSOJGSA-N 1 3 313.445 2.940 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415921360 428626702 /nfs/dbraw/zinc/62/67/02/428626702.db2.gz QZNXWWLKCZBTLF-UHFFFAOYSA-N 1 3 316.449 2.568 20 30 DFEDHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)C1 ZINC000362232477 428669504 /nfs/dbraw/zinc/66/95/04/428669504.db2.gz BWUDUNJRTOERBS-ZKXLYKBJSA-N 1 3 305.466 2.548 20 30 DFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)C1 ZINC000362233055 428670281 /nfs/dbraw/zinc/67/02/81/428670281.db2.gz DKSWDYGHIMTXME-PZELGXHYSA-N 1 3 305.466 2.689 20 30 DFEDHO CC(C)[NH+]1CCC(N2CCN(CC(C)(C)CCC#N)CC2)CC1 ZINC000354026121 428827169 /nfs/dbraw/zinc/82/71/69/428827169.db2.gz NUWWJGRUGJZBSY-UHFFFAOYSA-N 1 3 320.525 2.807 20 30 DFEDHO C=CCSCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422948557 429052677 /nfs/dbraw/zinc/05/26/77/429052677.db2.gz SKPFYHLTFZIFHN-RDJZCZTQSA-N 1 3 304.459 2.751 20 30 DFEDHO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000422973560 429052896 /nfs/dbraw/zinc/05/28/96/429052896.db2.gz CCFROXCEIYLJLW-CQSZACIVSA-N 1 3 302.466 2.540 20 30 DFEDHO CCCC[C@H](C[NH3+])NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423300855 429060208 /nfs/dbraw/zinc/06/02/08/429060208.db2.gz SGMFRZJPAIESBJ-LJQANCHMSA-N 1 3 314.477 2.630 20 30 DFEDHO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000518960841 429441763 /nfs/dbraw/zinc/44/17/63/429441763.db2.gz XAZSZPZFNJLRQP-WWDZGPRUSA-N 1 3 313.445 2.980 20 30 DFEDHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427482963 429452477 /nfs/dbraw/zinc/45/24/77/429452477.db2.gz ABMIJVVSXSPRDP-NVXWUHKLSA-N 1 3 301.434 2.604 20 30 DFEDHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427482963 429452485 /nfs/dbraw/zinc/45/24/85/429452485.db2.gz ABMIJVVSXSPRDP-NVXWUHKLSA-N 1 3 301.434 2.604 20 30 DFEDHO CC[NH+]1CCC(N(CCOc2ccc(C#N)cc2)C2CC2)CC1 ZINC000367108827 429581141 /nfs/dbraw/zinc/58/11/41/429581141.db2.gz GNOVQSZYXZFUKX-UHFFFAOYSA-N 1 3 313.445 2.886 20 30 DFEDHO C[C@@H](NCCSCc1ccccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000581006005 430169554 /nfs/dbraw/zinc/16/95/54/430169554.db2.gz OKJUSMRXYRQNPL-ZBFHGGJFSA-N 1 3 303.475 2.769 20 30 DFEDHO C[C@@H]([NH2+]CCSCc1ccccc1C#N)[C@H]1CCCNC1 ZINC000581006005 430169557 /nfs/dbraw/zinc/16/95/57/430169557.db2.gz OKJUSMRXYRQNPL-ZBFHGGJFSA-N 1 3 303.475 2.769 20 30 DFEDHO C=CC[C@]1(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000662413217 431076435 /nfs/dbraw/zinc/07/64/35/431076435.db2.gz NNUMHRMANLCEOC-IEBWSBKVSA-N 1 3 315.461 2.624 20 30 DFEDHO C=C(C)[C@H](CO)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649402318 431090522 /nfs/dbraw/zinc/09/05/22/431090522.db2.gz QTJBDBWSRFHJLF-IBGZPJMESA-N 1 3 314.473 2.912 20 30 DFEDHO C=C(C)[C@H](CO)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649402318 431090528 /nfs/dbraw/zinc/09/05/28/431090528.db2.gz QTJBDBWSRFHJLF-IBGZPJMESA-N 1 3 314.473 2.912 20 30 DFEDHO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298108313 331635682 /nfs/dbraw/zinc/63/56/82/331635682.db2.gz NZDOAYFYXPPYDC-CRAIPNDOSA-N 1 3 301.434 2.621 20 30 DFEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000427315753 332196781 /nfs/dbraw/zinc/19/67/81/332196781.db2.gz WBSAQZSHUOYASI-MSOLQXFVSA-N 1 3 321.509 2.581 20 30 DFEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)C(C)C ZINC000427315755 332196857 /nfs/dbraw/zinc/19/68/57/332196857.db2.gz WBSAQZSHUOYASI-ROUUACIJSA-N 1 3 321.509 2.581 20 30 DFEDHO COc1ccc(NC(=[NH2+])NCc2cccc(CN(C)C)c2)cc1 ZINC000264112684 333952619 /nfs/dbraw/zinc/95/26/19/333952619.db2.gz ROQKEDFAUOEQBH-UHFFFAOYSA-N 1 3 312.417 2.684 20 30 DFEDHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000274209248 334057028 /nfs/dbraw/zinc/05/70/28/334057028.db2.gz NGIIQVDQGNZTBC-ROUUACIJSA-N 1 3 315.461 2.841 20 30 DFEDHO Cc1cc(C)cc(NC(=[NH2+])NCCCN2CCCO[C@@H](C)C2)c1 ZINC000277231722 334087389 /nfs/dbraw/zinc/08/73/89/334087389.db2.gz GSTSPQVKVIXRAD-INIZCTEOSA-N 1 3 318.465 2.531 20 30 DFEDHO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CN(C)C ZINC000291799325 334181981 /nfs/dbraw/zinc/18/19/81/334181981.db2.gz AOEDKJYJPDFJKE-JTQLQIEISA-N 1 3 318.343 2.510 20 30 DFEDHO C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000126963095 334873680 /nfs/dbraw/zinc/87/36/80/334873680.db2.gz BMZKYGKPIBASQY-QZTJIDSGSA-N 1 3 318.509 2.747 20 30 DFEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000377839651 337062257 /nfs/dbraw/zinc/06/22/57/337062257.db2.gz KZOCJCYUPOBDTN-SUMDDJOVSA-N 1 3 313.445 2.894 20 30 DFEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000377839651 337062258 /nfs/dbraw/zinc/06/22/58/337062258.db2.gz KZOCJCYUPOBDTN-SUMDDJOVSA-N 1 3 313.445 2.894 20 30 DFEDHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185802498 337250444 /nfs/dbraw/zinc/25/04/44/337250444.db2.gz VEWOEJZBTDJJMP-RDJZCZTQSA-N 1 3 301.434 2.799 20 30 DFEDHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000429682692 338087357 /nfs/dbraw/zinc/08/73/57/338087357.db2.gz OBYVQLRZBXIMAE-OGWHTMIXSA-N 1 3 319.493 2.890 20 30 DFEDHO C=CCC[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397499433 340712709 /nfs/dbraw/zinc/71/27/09/340712709.db2.gz UWBBLOHMOISJAM-QGZVFWFLSA-N 1 3 302.462 2.958 20 30 DFEDHO C=CC[C@H](CC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000516660655 398358618 /nfs/dbraw/zinc/35/86/18/398358618.db2.gz ATUMCIYTMXUVCI-KRWDZBQOSA-N 1 3 321.509 2.654 20 30 DFEDHO COc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC000592433629 398425591 /nfs/dbraw/zinc/42/55/91/398425591.db2.gz MQKXXHCIRAUAFF-MSOLQXFVSA-N 1 3 313.445 2.778 20 30 DFEDHO C[N@@H+]1CCC[C@@]2(CCN(CCCOc3cccc(C#N)c3)C2)C1 ZINC000293010599 530059626 /nfs/dbraw/zinc/05/96/26/530059626.db2.gz PQOWKLLRRFYXDA-LJQANCHMSA-N 1 3 313.445 2.745 20 30 DFEDHO C[N@H+]1CCC[C@@]2(CCN(CCCOc3cccc(C#N)c3)C2)C1 ZINC000293010599 530059627 /nfs/dbraw/zinc/05/96/27/530059627.db2.gz PQOWKLLRRFYXDA-LJQANCHMSA-N 1 3 313.445 2.745 20 30 DFEDHO COCC[N@H+](C)CCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594496019 398809477 /nfs/dbraw/zinc/80/94/77/398809477.db2.gz XGDFFKSFNHGAFO-UHFFFAOYSA-N 1 3 303.450 2.546 20 30 DFEDHO COCC[N@@H+](C)CCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594496019 398809479 /nfs/dbraw/zinc/80/94/79/398809479.db2.gz XGDFFKSFNHGAFO-UHFFFAOYSA-N 1 3 303.450 2.546 20 30 DFEDHO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C#N)c(F)c1 ZINC000595102797 398906163 /nfs/dbraw/zinc/90/61/63/398906163.db2.gz MAEXVDAASNTFRY-GUYCJALGSA-N 1 3 317.408 2.601 20 30 DFEDHO COc1cc(C[NH2+]CC2(CN(C)C)CCCC2)ccc1C#N ZINC000281564740 216386343 /nfs/dbraw/zinc/38/63/43/216386343.db2.gz CGTCYCJBHMKNMC-UHFFFAOYSA-N 1 3 301.434 2.778 20 30 DFEDHO Cc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C#N ZINC000600712104 399120830 /nfs/dbraw/zinc/12/08/30/399120830.db2.gz WGEJOANRKXOFKF-OALUTQOASA-N 1 3 313.445 2.585 20 30 DFEDHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C#N ZINC000600707592 399120874 /nfs/dbraw/zinc/12/08/74/399120874.db2.gz BWSJDUYSHBZEOJ-QRVBRYPASA-N 1 3 313.445 2.728 20 30 DFEDHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(CC#N)CC3)CC2)C1 ZINC000610814025 399409151 /nfs/dbraw/zinc/40/91/51/399409151.db2.gz YYPNLNZQEJLBFP-QFBILLFUSA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@H]1CCC[C@@H]([NH+]2CCC(NC3CCN(CC#N)CC3)CC2)C1 ZINC000610814025 399409153 /nfs/dbraw/zinc/40/91/53/399409153.db2.gz YYPNLNZQEJLBFP-QFBILLFUSA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCC1([NH+](C)C)CCCCC1 ZINC000602512935 399465143 /nfs/dbraw/zinc/46/51/43/399465143.db2.gz YFHMJHCTNHMXPJ-MRXNPFEDSA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@@H](CCC#N)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000602690087 399521986 /nfs/dbraw/zinc/52/19/86/399521986.db2.gz LDOLNNVKLYVFPE-KRWDZBQOSA-N 1 3 315.461 2.543 20 30 DFEDHO C=CC[C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](CC=C)C3)COC2)C1 ZINC000625700884 399617451 /nfs/dbraw/zinc/61/74/51/399617451.db2.gz FOCYYDNARGTPBM-QZTJIDSGSA-N 1 3 304.478 2.799 20 30 DFEDHO C=CC[C@@H]1CCN(CC2(C[N@H+]3CC[C@@H](CC=C)C3)COC2)C1 ZINC000625700884 399617459 /nfs/dbraw/zinc/61/74/59/399617459.db2.gz FOCYYDNARGTPBM-QZTJIDSGSA-N 1 3 304.478 2.799 20 30 DFEDHO C[N@@H+]1CCC[C@H]2CN(CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114235 196021110 /nfs/dbraw/zinc/02/11/10/196021110.db2.gz PREPRRHQQQCTPF-HKUYNNGSSA-N 1 3 313.445 2.743 20 30 DFEDHO C[N@H+]1CCC[C@H]2CN(CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114235 196021112 /nfs/dbraw/zinc/02/11/12/196021112.db2.gz PREPRRHQQQCTPF-HKUYNNGSSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114235 196021114 /nfs/dbraw/zinc/02/11/14/196021114.db2.gz PREPRRHQQQCTPF-HKUYNNGSSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114235 196021116 /nfs/dbraw/zinc/02/11/16/196021116.db2.gz PREPRRHQQQCTPF-HKUYNNGSSA-N 1 3 313.445 2.743 20 30 DFEDHO C=CCOCC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000679486097 544860209 /nfs/dbraw/zinc/86/02/09/544860209.db2.gz QSWKRORZPQCCSN-UHFFFAOYSA-N 1 3 317.477 2.511 20 30 DFEDHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000421356990 267334426 /nfs/dbraw/zinc/33/44/26/267334426.db2.gz MOWBSTPZVXNQRB-KRWDZBQOSA-N 1 3 301.409 2.861 20 30 DFEDHO C[C@@H]1CN(CC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000157920332 425941054 /nfs/dbraw/zinc/94/10/54/425941054.db2.gz XBGIIDDZEYUVDX-IYBDPMFKSA-N 1 3 307.482 2.747 20 30 DFEDHO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(N(C)CCC#N)cc1 ZINC000072670033 426018511 /nfs/dbraw/zinc/01/85/11/426018511.db2.gz JDNWTAHBQPLDGM-GOSISDBHSA-N 1 3 300.450 2.610 20 30 DFEDHO CC[N@H+]1CCC[C@@H]1CNCc1ccc(N(C)CCC#N)cc1 ZINC000072670033 426018512 /nfs/dbraw/zinc/01/85/12/426018512.db2.gz JDNWTAHBQPLDGM-GOSISDBHSA-N 1 3 300.450 2.610 20 30 DFEDHO COc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1C#N ZINC000135000889 426202877 /nfs/dbraw/zinc/20/28/77/426202877.db2.gz MXKDNXPMLMNLLN-UHFFFAOYSA-N 1 3 301.434 2.731 20 30 DFEDHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000283267795 426986339 /nfs/dbraw/zinc/98/63/39/426986339.db2.gz KZPWJYFYHWCROL-KRWDZBQOSA-N 1 3 314.477 2.625 20 30 DFEDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)[C@@H](C)C1 ZINC000248934021 427065647 /nfs/dbraw/zinc/06/56/47/427065647.db2.gz YDLRNJNJAJRCKV-MLHJIOFPSA-N 1 3 307.482 2.795 20 30 DFEDHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)[C@@H](C)C1 ZINC000248934021 427065654 /nfs/dbraw/zinc/06/56/54/427065654.db2.gz YDLRNJNJAJRCKV-MLHJIOFPSA-N 1 3 307.482 2.795 20 30 DFEDHO C=CCCOCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271424947 427532948 /nfs/dbraw/zinc/53/29/48/427532948.db2.gz CISIOQAOSVBKRG-INIZCTEOSA-N 1 3 306.450 2.870 20 30 DFEDHO C=CCCOCCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271424947 427532956 /nfs/dbraw/zinc/53/29/56/427532956.db2.gz CISIOQAOSVBKRG-INIZCTEOSA-N 1 3 306.450 2.870 20 30 DFEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000264108427 427657154 /nfs/dbraw/zinc/65/71/54/427657154.db2.gz QAEJEJSJJXMUPJ-AWEZNQCLSA-N 1 3 304.438 2.542 20 30 DFEDHO C=CCOCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000339200864 427727686 /nfs/dbraw/zinc/72/76/86/427727686.db2.gz JMMBGWOZYZKZCI-MOPGFXCFSA-N 1 3 300.446 2.643 20 30 DFEDHO C=CCOCCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000339200864 427727688 /nfs/dbraw/zinc/72/76/88/427727688.db2.gz JMMBGWOZYZKZCI-MOPGFXCFSA-N 1 3 300.446 2.643 20 30 DFEDHO C=CCc1cc(CN2CCC(CC[NH2+]C)CC2)cc(OC)c1O ZINC000346671598 428265404 /nfs/dbraw/zinc/26/54/04/428265404.db2.gz KAQVRJOQMBSIJN-UHFFFAOYSA-N 1 3 318.461 2.951 20 30 DFEDHO C=CCOc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346850789 428344706 /nfs/dbraw/zinc/34/47/06/428344706.db2.gz IBNQAINRRZGESZ-ULQDDVLXSA-N 1 3 316.445 2.819 20 30 DFEDHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)CN1CCCCC1 ZINC000362032652 428610337 /nfs/dbraw/zinc/61/03/37/428610337.db2.gz OWXNSFYPAOVDMI-FQBWVUSXSA-N 1 3 319.493 2.938 20 30 DFEDHO C=CCOCCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000348048044 428636289 /nfs/dbraw/zinc/63/62/89/428636289.db2.gz MTMSKCZXOLZOTJ-UHFFFAOYSA-N 1 3 303.450 2.823 20 30 DFEDHO C=CCOCCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000348048044 428636294 /nfs/dbraw/zinc/63/62/94/428636294.db2.gz MTMSKCZXOLZOTJ-UHFFFAOYSA-N 1 3 303.450 2.823 20 30 DFEDHO N#Cc1ccccc1CSCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422997618 429054240 /nfs/dbraw/zinc/05/42/40/429054240.db2.gz VAKLWDZDXQTORB-RDJZCZTQSA-N 1 3 303.475 2.899 20 30 DFEDHO C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158686 429054499 /nfs/dbraw/zinc/05/44/99/429054499.db2.gz WYQWBGDFAKNZPE-VXNCWWDNSA-N 1 3 314.429 2.566 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000423268906 429056640 /nfs/dbraw/zinc/05/66/40/429056640.db2.gz FFEBWNRDLUACQW-VQIMIIECSA-N 1 3 312.461 2.634 20 30 DFEDHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000443969578 429260173 /nfs/dbraw/zinc/26/01/73/429260173.db2.gz PXUFOVLUOAEWCH-IAGOWNOFSA-N 1 3 315.461 2.846 20 30 DFEDHO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000521423829 429551456 /nfs/dbraw/zinc/55/14/56/429551456.db2.gz XEOXKNBUVFWSME-LTDKPHRXSA-N 1 3 313.445 2.965 20 30 DFEDHO C=CC[C@]1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CCC[NH2+]1 ZINC000662794262 431194589 /nfs/dbraw/zinc/19/45/89/431194589.db2.gz CUAAPSXIFHSURX-GOSISDBHSA-N 1 3 301.434 2.693 20 30 DFEDHO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000521423828 300526248 /nfs/dbraw/zinc/52/62/48/300526248.db2.gz XEOXKNBUVFWSME-KUQKPQIMSA-N 1 3 313.445 2.965 20 30 DFEDHO CC(C)CNC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000104180762 332244603 /nfs/dbraw/zinc/24/46/03/332244603.db2.gz JQYAZPNNKHZREE-CQSZACIVSA-N 1 3 308.495 2.520 20 30 DFEDHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000175007700 333093568 /nfs/dbraw/zinc/09/35/68/333093568.db2.gz SORWFPAGJHFMLB-HKUYNNGSSA-N 1 3 314.477 2.999 20 30 DFEDHO CN(C)C(=[NH+]C[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1)N(C)C ZINC000364205602 333272258 /nfs/dbraw/zinc/27/22/58/333272258.db2.gz HJSZKPNAQDAPCT-ZBFHGGJFSA-N 1 3 322.884 2.812 20 30 DFEDHO C=CCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1O ZINC000295060911 335131618 /nfs/dbraw/zinc/13/16/18/335131618.db2.gz QGLUZEVQFPULET-ALOPSCKCSA-N 1 3 316.445 2.844 20 30 DFEDHO C[NH+](C)CCCOc1cnccc1CNCC(C)(C)CCC#N ZINC000288494743 334160483 /nfs/dbraw/zinc/16/04/83/334160483.db2.gz HNJDDOPHZYZKGI-UHFFFAOYSA-N 1 3 318.465 2.832 20 30 DFEDHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1OCCCC#N ZINC000291801710 334181991 /nfs/dbraw/zinc/18/19/91/334181991.db2.gz XHRGEJQZFRDWJY-OAHLLOKOSA-N 1 3 319.449 2.665 20 30 DFEDHO CN(CCC#N)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000294724755 334212831 /nfs/dbraw/zinc/21/28/31/334212831.db2.gz CVGQVSQYCQFROL-JLYLLQBASA-N 1 3 312.461 2.751 20 30 DFEDHO C=CCc1cc(CN2CCC(C[NH+](C)C)CC2)cc(OC)c1O ZINC000350178334 335732490 /nfs/dbraw/zinc/73/24/90/335732490.db2.gz XMAMBTZJDTUBMH-UHFFFAOYSA-N 1 3 318.461 2.903 20 30 DFEDHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)CN1CCCCC1 ZINC000362032655 336782638 /nfs/dbraw/zinc/78/26/38/336782638.db2.gz OWXNSFYPAOVDMI-ZRSRNVLSSA-N 1 3 319.493 2.938 20 30 DFEDHO CCN(CC)C(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304772139 337003068 /nfs/dbraw/zinc/00/30/68/337003068.db2.gz AMFDXUJTUUWIHY-DZGCQCFKSA-N 1 3 308.495 2.788 20 30 DFEDHO C#Cc1ccc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000377650711 337057569 /nfs/dbraw/zinc/05/75/69/337057569.db2.gz NTNWHCTXHDRLSI-FFZOFVMBSA-N 1 3 312.457 2.647 20 30 DFEDHO C#Cc1ccc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000377650711 337057570 /nfs/dbraw/zinc/05/75/70/337057570.db2.gz NTNWHCTXHDRLSI-FFZOFVMBSA-N 1 3 312.457 2.647 20 30 DFEDHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)CN1CCCC1 ZINC000378459287 337073374 /nfs/dbraw/zinc/07/33/74/337073374.db2.gz ZBWXLAPKKYSONA-ICUGJSFKSA-N 1 3 305.466 2.548 20 30 DFEDHO Cn1cc(CNC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000365159218 527217802 /nfs/dbraw/zinc/21/78/02/527217802.db2.gz YGTGVMKXYQMLQE-PBHICJAKSA-N 1 3 314.458 2.741 20 30 DFEDHO Cn1cc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000365159218 527217807 /nfs/dbraw/zinc/21/78/07/527217807.db2.gz YGTGVMKXYQMLQE-PBHICJAKSA-N 1 3 314.458 2.741 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](n2ccnc2C)C1 ZINC000591906700 398349288 /nfs/dbraw/zinc/34/92/88/398349288.db2.gz REHVONVJUXXMQI-DOTOQJQBSA-N 1 3 318.465 2.642 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](n2ccnc2C)C1 ZINC000591906702 398349668 /nfs/dbraw/zinc/34/96/68/398349668.db2.gz REHVONVJUXXMQI-RDJZCZTQSA-N 1 3 318.465 2.642 20 30 DFEDHO COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H]2CCCN(C)C2)cc1 ZINC000581170941 398388520 /nfs/dbraw/zinc/38/85/20/398388520.db2.gz BYYNWJYOIRLWJT-MAUKXSAKSA-N 1 3 301.434 2.971 20 30 DFEDHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181493343 199305932 /nfs/dbraw/zinc/30/59/32/199305932.db2.gz NMGDKZNWOLFGHB-KRWDZBQOSA-N 1 3 314.477 2.627 20 30 DFEDHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000181775011 199350808 /nfs/dbraw/zinc/35/08/08/199350808.db2.gz JAZITIKUSUIVOL-NVXWUHKLSA-N 1 3 313.445 2.710 20 30 DFEDHO CC(C)(C)[NH2+]CCNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323287 398599344 /nfs/dbraw/zinc/59/93/44/398599344.db2.gz SRURNJBEALHFDL-UHFFFAOYSA-N 1 3 314.477 2.500 20 30 DFEDHO CC(C)(C)NCC[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323287 398599348 /nfs/dbraw/zinc/59/93/48/398599348.db2.gz SRURNJBEALHFDL-UHFFFAOYSA-N 1 3 314.477 2.500 20 30 DFEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000594467069 398807222 /nfs/dbraw/zinc/80/72/22/398807222.db2.gz FNJVASYZCBQHQO-QGZVFWFLSA-N 1 3 314.433 2.632 20 30 DFEDHO CC[NH+](CC)Cc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598716199 398860437 /nfs/dbraw/zinc/86/04/37/398860437.db2.gz ZYCYYOVFQSPTQW-GOSISDBHSA-N 1 3 317.477 2.919 20 30 DFEDHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000305818979 299289233 /nfs/dbraw/zinc/28/92/33/299289233.db2.gz NSVKPZRQHAXOPL-HOCLYGCPSA-N 1 3 319.424 2.585 20 30 DFEDHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000305818979 299289236 /nfs/dbraw/zinc/28/92/36/299289236.db2.gz NSVKPZRQHAXOPL-HOCLYGCPSA-N 1 3 319.424 2.585 20 30 DFEDHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2CCN(CC#N)CC2)CC1 ZINC000610813297 399408717 /nfs/dbraw/zinc/40/87/17/399408717.db2.gz CCPVWGVIGNSNIQ-APWZRJJASA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000610813297 399408720 /nfs/dbraw/zinc/40/87/20/399408720.db2.gz CCPVWGVIGNSNIQ-APWZRJJASA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000602517259 399466242 /nfs/dbraw/zinc/46/62/42/399466242.db2.gz DMYGCWLEHILQFG-HNNXBMFYSA-N 1 3 305.466 2.549 20 30 DFEDHO C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000611438561 399477035 /nfs/dbraw/zinc/47/70/35/399477035.db2.gz AIDJJTWBCNVSAU-BEFAXECRSA-N 1 3 313.445 2.852 20 30 DFEDHO C=CC[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](CC=C)C3)COC2)C1 ZINC000625700882 399616671 /nfs/dbraw/zinc/61/66/71/399616671.db2.gz FOCYYDNARGTPBM-HDICACEKSA-N 1 3 304.478 2.799 20 30 DFEDHO C=CC[C@@H]1CC[N@H+](CC2(CN3CC[C@H](CC=C)C3)COC2)C1 ZINC000625700882 399616673 /nfs/dbraw/zinc/61/66/73/399616673.db2.gz FOCYYDNARGTPBM-HDICACEKSA-N 1 3 304.478 2.799 20 30 DFEDHO C=CC[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](CC=C)C3)COC2)C1 ZINC000625700882 399616678 /nfs/dbraw/zinc/61/66/78/399616678.db2.gz FOCYYDNARGTPBM-HDICACEKSA-N 1 3 304.478 2.799 20 30 DFEDHO C=CC[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](CC=C)C3)COC2)C1 ZINC000625700882 399616683 /nfs/dbraw/zinc/61/66/83/399616683.db2.gz FOCYYDNARGTPBM-HDICACEKSA-N 1 3 304.478 2.799 20 30 DFEDHO C#Cc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000289180895 335060571 /nfs/dbraw/zinc/06/05/71/335060571.db2.gz FZBZJOSHLUFREB-UHFFFAOYSA-N 1 3 308.425 2.898 20 30 DFEDHO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000678050275 544589342 /nfs/dbraw/zinc/58/93/42/544589342.db2.gz WVVKWTNRQQBLDN-ZCNNSNEGSA-N 1 3 314.473 2.910 20 30 DFEDHO C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000678050275 544589348 /nfs/dbraw/zinc/58/93/48/544589348.db2.gz WVVKWTNRQQBLDN-ZCNNSNEGSA-N 1 3 314.473 2.910 20 30 DFEDHO C[C@@H]1CN(CC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000157920608 425941244 /nfs/dbraw/zinc/94/12/44/425941244.db2.gz XBGIIDDZEYUVDX-HZPDHXFCSA-N 1 3 307.482 2.747 20 30 DFEDHO C=CCC[C@@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000132508452 426170560 /nfs/dbraw/zinc/17/05/60/426170560.db2.gz XENQGRIOJQJMQK-RTBURBONSA-N 1 3 302.462 2.767 20 30 DFEDHO C=CCC[C@@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000132508452 426170563 /nfs/dbraw/zinc/17/05/63/426170563.db2.gz XENQGRIOJQJMQK-RTBURBONSA-N 1 3 302.462 2.767 20 30 DFEDHO CC[NH+]1CCC(NCc2ccc(N(C)CCC#N)cc2)CC1 ZINC000236857229 426687125 /nfs/dbraw/zinc/68/71/25/426687125.db2.gz VIXKIDQGPIHVNE-UHFFFAOYSA-N 1 3 300.450 2.610 20 30 DFEDHO C=CCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000265825935 426696890 /nfs/dbraw/zinc/69/68/90/426696890.db2.gz SVPCUDVPZGGFTG-IBGZPJMESA-N 1 3 302.462 2.940 20 30 DFEDHO C=CCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000265825935 426696893 /nfs/dbraw/zinc/69/68/93/426696893.db2.gz SVPCUDVPZGGFTG-IBGZPJMESA-N 1 3 302.462 2.940 20 30 DFEDHO C=CCC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccco1 ZINC000276484153 427081783 /nfs/dbraw/zinc/08/17/83/427081783.db2.gz SLBPVEVDWLNNSX-QGZVFWFLSA-N 1 3 305.466 2.903 20 30 DFEDHO CN1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1cccs1 ZINC000262513795 427360981 /nfs/dbraw/zinc/36/09/81/427360981.db2.gz FIRHPWKVODDJIN-TZMCWYRMSA-N 1 3 308.495 2.834 20 30 DFEDHO CC[C@H](C)NC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000264114753 427660467 /nfs/dbraw/zinc/66/04/67/427660467.db2.gz SBEWWCKSOPRCFH-UONOGXRCSA-N 1 3 308.495 2.663 20 30 DFEDHO C=CCOCCCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348315278 428705119 /nfs/dbraw/zinc/70/51/19/428705119.db2.gz ILLAVGPMOLPEFB-RTBURBONSA-N 1 3 300.446 2.643 20 30 DFEDHO C=CCOCCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368364879 429837676 /nfs/dbraw/zinc/83/76/76/429837676.db2.gz NXYSJVUUFBIPRP-KRWDZBQOSA-N 1 3 316.445 2.767 20 30 DFEDHO C=CCOc1ccc(CN2CCC(CC[NH3+])CC2)cc1OC ZINC000566316602 430252170 /nfs/dbraw/zinc/25/21/70/430252170.db2.gz GNOAYPQFOQAZEE-UHFFFAOYSA-N 1 3 304.434 2.821 20 30 DFEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298108321 331635523 /nfs/dbraw/zinc/63/55/23/331635523.db2.gz NZDOAYFYXPPYDC-YJBOKZPZSA-N 1 3 301.434 2.621 20 30 DFEDHO C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000294685745 335125357 /nfs/dbraw/zinc/12/53/57/335125357.db2.gz AFSJHTJQGLXBSJ-ALOPSCKCSA-N 1 3 316.445 2.975 20 30 DFEDHO CN1CCN(CC2(C)CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000363863200 333185457 /nfs/dbraw/zinc/18/54/57/333185457.db2.gz AVVSBEZSKIIGQO-UHFFFAOYSA-N 1 3 320.525 2.666 20 30 DFEDHO CN(C)C(=[NH+]C[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1)N(C)C ZINC000364205601 333272277 /nfs/dbraw/zinc/27/22/77/333272277.db2.gz HJSZKPNAQDAPCT-HOCLYGCPSA-N 1 3 322.884 2.812 20 30 DFEDHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000290450229 334172858 /nfs/dbraw/zinc/17/28/58/334172858.db2.gz VYISETBBYGEEAC-NVXWUHKLSA-N 1 3 316.449 2.584 20 30 DFEDHO C[C@@H](CCC#N)[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351272627 336025098 /nfs/dbraw/zinc/02/50/98/336025098.db2.gz VKXWCSNJJSNQJP-GVDBMIGSSA-N 1 3 307.482 2.890 20 30 DFEDHO C[C@H](CCC#N)[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351272626 336025105 /nfs/dbraw/zinc/02/51/05/336025105.db2.gz VKXWCSNJJSNQJP-BRWVUGGUSA-N 1 3 307.482 2.890 20 30 DFEDHO C=CCN(CC=C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)C(C)C ZINC000192657112 337306095 /nfs/dbraw/zinc/30/60/95/337306095.db2.gz OTIASSZCOHJDNB-IPQPSQTFSA-N 1 3 305.510 2.900 20 30 DFEDHO C=CCN1CCC(NC(N[C@@H]2C[C@@H]2C2CCCCC2)=[NH+]C)CC1 ZINC000262416220 337617457 /nfs/dbraw/zinc/61/74/57/337617457.db2.gz QENJJUOWBSHGBJ-QZTJIDSGSA-N 1 3 318.509 2.771 20 30 DFEDHO C=C(C)CN1CCC([NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422979431 337693521 /nfs/dbraw/zinc/69/35/21/337693521.db2.gz MSPZOUHHZYKWMW-APWZRJJASA-N 1 3 301.478 2.575 20 30 DFEDHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375284 338194168 /nfs/dbraw/zinc/19/41/68/338194168.db2.gz HGYLAODYUVQSFN-QZTJIDSGSA-N 1 3 313.445 2.702 20 30 DFEDHO CN(C)CCOc1cc(C[NH2+]C2CCC(C)(C#N)CC2)ccn1 ZINC000449223871 338603919 /nfs/dbraw/zinc/60/39/19/338603919.db2.gz OZXUFQFGCIBIDS-UHFFFAOYSA-N 1 3 316.449 2.584 20 30 DFEDHO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684767977 546276913 /nfs/dbraw/zinc/27/69/13/546276913.db2.gz WPYJYRDBMYMZQI-IEBWSBKVSA-N 1 3 318.461 2.698 20 30 DFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000236864406 202041438 /nfs/dbraw/zinc/04/14/38/202041438.db2.gz RJAYHGKNCQFYPV-LPHOPBHVSA-N 1 3 315.461 2.785 20 30 DFEDHO CC(C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598398322 398806039 /nfs/dbraw/zinc/80/60/39/398806039.db2.gz ZKBAQAWTQBTMFG-DOTOQJQBSA-N 1 3 311.429 2.565 20 30 DFEDHO CC(C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598398322 398806043 /nfs/dbraw/zinc/80/60/43/398806043.db2.gz ZKBAQAWTQBTMFG-DOTOQJQBSA-N 1 3 311.429 2.565 20 30 DFEDHO CC[NH+](CC)CC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000051908651 398827500 /nfs/dbraw/zinc/82/75/00/398827500.db2.gz UNGKHSDSSKAKIS-UHFFFAOYSA-N 1 3 315.461 2.991 20 30 DFEDHO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000598612411 398841422 /nfs/dbraw/zinc/84/14/22/398841422.db2.gz OZCUCSPCBYDGDX-UXLLHSPISA-N 1 3 307.482 2.530 20 30 DFEDHO C[C@H](NC[C@@H](O)CC(C)(C)C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000598612411 398841424 /nfs/dbraw/zinc/84/14/24/398841424.db2.gz OZCUCSPCBYDGDX-UXLLHSPISA-N 1 3 307.482 2.530 20 30 DFEDHO C[C@H](NC[C@@H](O)CC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000598612411 398841427 /nfs/dbraw/zinc/84/14/27/398841427.db2.gz OZCUCSPCBYDGDX-UXLLHSPISA-N 1 3 307.482 2.530 20 30 DFEDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598716135 398860661 /nfs/dbraw/zinc/86/06/61/398860661.db2.gz XYXPKTJZIMMHIR-GOSISDBHSA-N 1 3 317.477 2.917 20 30 DFEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598716135 398860664 /nfs/dbraw/zinc/86/06/64/398860664.db2.gz XYXPKTJZIMMHIR-GOSISDBHSA-N 1 3 317.477 2.917 20 30 DFEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000602564624 399477283 /nfs/dbraw/zinc/47/72/83/399477283.db2.gz VGMPLZNGFUDTBG-INIZCTEOSA-N 1 3 315.461 2.673 20 30 DFEDHO C[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)CN1CCCC1 ZINC000171141920 426171886 /nfs/dbraw/zinc/17/18/86/426171886.db2.gz CHTSEAJWLRMTHL-HZPDHXFCSA-N 1 3 301.434 2.971 20 30 DFEDHO CC(C)CCNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000264134162 426502651 /nfs/dbraw/zinc/50/26/51/426502651.db2.gz ZBICOEXURJBGIX-HNNXBMFYSA-N 1 3 322.522 2.911 20 30 DFEDHO [NH2+]=C(NC[C@H]1CCN(Cc2ccccc2)C1)Nc1ccccc1 ZINC000195164760 426505422 /nfs/dbraw/zinc/50/54/22/426505422.db2.gz MJFMPQHGGTZIOJ-QGZVFWFLSA-N 1 3 308.429 2.935 20 30 DFEDHO C=CCC[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397499432 428511812 /nfs/dbraw/zinc/51/18/12/428511812.db2.gz UWBBLOHMOISJAM-KRWDZBQOSA-N 1 3 302.462 2.958 20 30 DFEDHO C[C@H]1C[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)CN1Cc1ccccc1 ZINC000373609104 428619192 /nfs/dbraw/zinc/61/91/92/428619192.db2.gz GBJIBJSGIDJURF-FUHWJXTLSA-N 1 3 322.456 2.897 20 30 DFEDHO CN1CCCC[C@@H]1CC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116819 428624467 /nfs/dbraw/zinc/62/44/67/428624467.db2.gz NWXVYKWZFRJQPA-LJQANCHMSA-N 1 3 315.461 2.881 20 30 DFEDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116819 428624471 /nfs/dbraw/zinc/62/44/71/428624471.db2.gz NWXVYKWZFRJQPA-LJQANCHMSA-N 1 3 315.461 2.881 20 30 DFEDHO C[C@H]1C[N@H+](CCCN[C@@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670892 428649861 /nfs/dbraw/zinc/64/98/61/428649861.db2.gz WARIDSRYCLLGHK-HNAYVOBHSA-N 1 3 313.445 2.636 20 30 DFEDHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670892 428649865 /nfs/dbraw/zinc/64/98/65/428649865.db2.gz WARIDSRYCLLGHK-HNAYVOBHSA-N 1 3 313.445 2.636 20 30 DFEDHO CSC1(CNCc2ccc(C#N)c(F)c2)CC[NH+](C)CC1 ZINC000421352164 428990146 /nfs/dbraw/zinc/99/01/46/428990146.db2.gz DGJURGYSWJXXGV-UHFFFAOYSA-N 1 3 307.438 2.614 20 30 DFEDHO CSC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCN(C)CC1 ZINC000421352164 428990152 /nfs/dbraw/zinc/99/01/52/428990152.db2.gz DGJURGYSWJXXGV-UHFFFAOYSA-N 1 3 307.438 2.614 20 30 DFEDHO C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000453371760 429148801 /nfs/dbraw/zinc/14/88/01/429148801.db2.gz UVPWPKPACQGKDM-YSTOQKLRSA-N 1 3 314.473 2.814 20 30 DFEDHO CN1CC[C@@]2(CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535211 429470771 /nfs/dbraw/zinc/47/07/71/429470771.db2.gz NJIRNUIFLLPPFF-LJQANCHMSA-N 1 3 313.445 2.897 20 30 DFEDHO CN1CC[C@@]2(CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535211 429470773 /nfs/dbraw/zinc/47/07/73/429470773.db2.gz NJIRNUIFLLPPFF-LJQANCHMSA-N 1 3 313.445 2.897 20 30 DFEDHO N#Cc1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459545607 429698841 /nfs/dbraw/zinc/69/88/41/429698841.db2.gz SOFXCVIVUCIXFK-UHFFFAOYSA-N 1 3 306.413 2.754 20 30 DFEDHO C=C(C)CN(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000573263878 429939171 /nfs/dbraw/zinc/93/91/71/429939171.db2.gz MLIPZEUOIPLIJW-UHFFFAOYSA-N 1 3 321.509 2.607 20 30 DFEDHO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000651755246 430867754 /nfs/dbraw/zinc/86/77/54/430867754.db2.gz FPEMHTUXTFBYGZ-WBVHZDCISA-N 1 3 303.450 2.856 20 30 DFEDHO C=C(C)[C@@H](CO)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649402319 431090048 /nfs/dbraw/zinc/09/00/48/431090048.db2.gz QTJBDBWSRFHJLF-LJQANCHMSA-N 1 3 314.473 2.912 20 30 DFEDHO C=C(C)[C@@H](CO)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649402319 431090053 /nfs/dbraw/zinc/09/00/53/431090053.db2.gz QTJBDBWSRFHJLF-LJQANCHMSA-N 1 3 314.473 2.912 20 30 DFEDHO C[C@@H]1C[C@H](N(C)Cc2ccc(N(C)CCC#N)cc2)CC[N@@H+]1C ZINC000093644633 332140958 /nfs/dbraw/zinc/14/09/58/332140958.db2.gz UKIKBNNEZXXEMI-VQIMIIECSA-N 1 3 314.477 2.951 20 30 DFEDHO C[C@@H]1C[C@H](N(C)Cc2ccc(N(C)CCC#N)cc2)CC[N@H+]1C ZINC000093644633 332140959 /nfs/dbraw/zinc/14/09/59/332140959.db2.gz UKIKBNNEZXXEMI-VQIMIIECSA-N 1 3 314.477 2.951 20 30 DFEDHO CCCCCCNC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179738042 333155069 /nfs/dbraw/zinc/15/50/69/333155069.db2.gz ZJZBGTUAQCSUNU-UHFFFAOYSA-N 1 3 317.481 2.783 20 30 DFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(F)F)cc1 ZINC000184879725 333202297 /nfs/dbraw/zinc/20/22/97/333202297.db2.gz RXCQUZOTLLVUTE-AWEZNQCLSA-N 1 3 310.392 2.513 20 30 DFEDHO C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N1CCC[C@@H](C)C1 ZINC000288628562 334161387 /nfs/dbraw/zinc/16/13/87/334161387.db2.gz AQNMQRFLWOPJCD-VXGBXAGGSA-N 1 3 310.392 2.812 20 30 DFEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000377839652 337062289 /nfs/dbraw/zinc/06/22/89/337062289.db2.gz KZOCJCYUPOBDTN-SZVBFZGTSA-N 1 3 313.445 2.894 20 30 DFEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000377839652 337062290 /nfs/dbraw/zinc/06/22/90/337062290.db2.gz KZOCJCYUPOBDTN-SZVBFZGTSA-N 1 3 313.445 2.894 20 30 DFEDHO C[NH+]=C(NCc1ccc(C)s1)N1CC[C@H](N2CCCCC2)C1 ZINC000262463169 337618463 /nfs/dbraw/zinc/61/84/63/337618463.db2.gz MYSHIXVKBCTNPD-HNNXBMFYSA-N 1 3 320.506 2.692 20 30 DFEDHO CCCC[N@H+](C)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426511458 338033838 /nfs/dbraw/zinc/03/38/38/338033838.db2.gz SAKTYDWERBTZIS-WMZOPIPTSA-N 1 3 315.461 2.996 20 30 DFEDHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426511458 338033839 /nfs/dbraw/zinc/03/38/39/338033839.db2.gz SAKTYDWERBTZIS-WMZOPIPTSA-N 1 3 315.461 2.996 20 30 DFEDHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000429682694 338087347 /nfs/dbraw/zinc/08/73/47/338087347.db2.gz OBYVQLRZBXIMAE-UKBAYJJMSA-N 1 3 319.493 2.890 20 30 DFEDHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365308 338193798 /nfs/dbraw/zinc/19/37/98/338193798.db2.gz PENAVPTYMATETI-KZNAEPCWSA-N 1 3 313.445 2.748 20 30 DFEDHO Cc1ccc(NNC2=CC(=O)N(C(=O)OC(C)(C)C)C2C)[nH+]c1 ZINC000496192438 340000189 /nfs/dbraw/zinc/00/01/89/340000189.db2.gz DKLCWBBJQSUEQE-LLVKDONJSA-N 1 3 318.377 2.714 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2C)C1 ZINC000591906701 398350120 /nfs/dbraw/zinc/35/01/20/398350120.db2.gz REHVONVJUXXMQI-NVXWUHKLSA-N 1 3 318.465 2.642 20 30 DFEDHO N#CCCCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000594467061 398806986 /nfs/dbraw/zinc/80/69/86/398806986.db2.gz FNJVASYZCBQHQO-KRWDZBQOSA-N 1 3 314.433 2.632 20 30 DFEDHO C[NH+](C)CCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000052442329 398840499 /nfs/dbraw/zinc/84/04/99/398840499.db2.gz CDJPQQGEKAEAMW-UHFFFAOYSA-N 1 3 301.434 2.601 20 30 DFEDHO Cc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1C#N ZINC000600712103 399120917 /nfs/dbraw/zinc/12/09/17/399120917.db2.gz WGEJOANRKXOFKF-MOPGFXCFSA-N 1 3 313.445 2.585 20 30 DFEDHO CC(C)[C@@H](CN[C@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602508441 399463737 /nfs/dbraw/zinc/46/37/37/399463737.db2.gz CCBHMARSVYUIBS-IAGOWNOFSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000602516353 399466414 /nfs/dbraw/zinc/46/64/14/399466414.db2.gz ZMSNHZGROLQUAB-ZACQAIPSSA-N 1 3 307.482 2.938 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000602516353 399466417 /nfs/dbraw/zinc/46/64/17/399466417.db2.gz ZMSNHZGROLQUAB-ZACQAIPSSA-N 1 3 307.482 2.938 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000602516351 399466609 /nfs/dbraw/zinc/46/66/09/399466609.db2.gz ZMSNHZGROLQUAB-IKGGRYGDSA-N 1 3 307.482 2.938 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000602516351 399466611 /nfs/dbraw/zinc/46/66/11/399466611.db2.gz ZMSNHZGROLQUAB-IKGGRYGDSA-N 1 3 307.482 2.938 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000602715911 399535420 /nfs/dbraw/zinc/53/54/20/399535420.db2.gz PVGZMACMUCKONQ-SJLPKXTDSA-N 1 3 319.493 2.797 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000602715911 399535423 /nfs/dbraw/zinc/53/54/23/399535423.db2.gz PVGZMACMUCKONQ-SJLPKXTDSA-N 1 3 319.493 2.797 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000602715911 399535425 /nfs/dbraw/zinc/53/54/25/399535425.db2.gz PVGZMACMUCKONQ-SJLPKXTDSA-N 1 3 319.493 2.797 20 30 DFEDHO CC(C#N)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612357600 399631686 /nfs/dbraw/zinc/63/16/86/399631686.db2.gz ASERZAYOWIWUAZ-NRSFXHEJSA-N 1 3 311.429 2.563 20 30 DFEDHO CC(C#N)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612357600 399631693 /nfs/dbraw/zinc/63/16/93/399631693.db2.gz ASERZAYOWIWUAZ-NRSFXHEJSA-N 1 3 311.429 2.563 20 30 DFEDHO C=C(C)CNC(=[NH2+])NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000366817561 335062092 /nfs/dbraw/zinc/06/20/92/335062092.db2.gz HAWJZLYLHXLORC-SFHVURJKSA-N 1 3 300.450 2.589 20 30 DFEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000166130283 542749924 /nfs/dbraw/zinc/74/99/24/542749924.db2.gz VICIPBXDMHKHIE-GUDVDZBRSA-N 1 3 305.510 2.901 20 30 DFEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000166130283 542749925 /nfs/dbraw/zinc/74/99/25/542749925.db2.gz VICIPBXDMHKHIE-GUDVDZBRSA-N 1 3 305.510 2.901 20 30 DFEDHO CCNC(NC[C@H]1CCCN(Cc2cccs2)C1)=[NH+]CC ZINC000161528375 426028785 /nfs/dbraw/zinc/02/87/85/426028785.db2.gz YDDMPBCEGTVVLI-CQSZACIVSA-N 1 3 308.495 2.535 20 30 DFEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cc(C#N)n(C)c2)C1 ZINC000190773534 427178578 /nfs/dbraw/zinc/17/85/78/427178578.db2.gz WYTMNYHGQIBOMW-HZPDHXFCSA-N 1 3 302.466 2.744 20 30 DFEDHO Cn1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1C#N ZINC000191419190 427345195 /nfs/dbraw/zinc/34/51/95/427345195.db2.gz BMYVSDOVSSBOCW-UHFFFAOYSA-N 1 3 314.477 2.985 20 30 DFEDHO CCN(CC)CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285824870 427350171 /nfs/dbraw/zinc/35/01/71/427350171.db2.gz WOINGYOYATWFGE-UHFFFAOYSA-N 1 3 314.477 2.849 20 30 DFEDHO CN(C)CC1(CNC(=[NH2+])Nc2cc(F)ccc2F)CCCC1 ZINC000262330602 427356156 /nfs/dbraw/zinc/35/61/56/427356156.db2.gz XXELPTNOKWSRET-UHFFFAOYSA-N 1 3 310.392 2.813 20 30 DFEDHO CC(C)CNC(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000262422115 427359273 /nfs/dbraw/zinc/35/92/73/427359273.db2.gz RCHLRYIDMUYIJQ-HIFRSBDPSA-N 1 3 308.495 2.691 20 30 DFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000263170681 427429291 /nfs/dbraw/zinc/42/92/91/427429291.db2.gz RJAYHGKNCQFYPV-APWZRJJASA-N 1 3 315.461 2.785 20 30 DFEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)N2CCCC2)cc1 ZINC000264064720 427649438 /nfs/dbraw/zinc/64/94/38/427649438.db2.gz DQDXHLYKVYUPTI-INIZCTEOSA-N 1 3 304.438 2.542 20 30 DFEDHO COc1cc(CN2CCCC3(CC[NH+](C)CC3)C2)ccc1C#N ZINC000370171072 428150869 /nfs/dbraw/zinc/15/08/69/428150869.db2.gz GGBPWXLNOQAWJU-UHFFFAOYSA-N 1 3 313.445 2.875 20 30 DFEDHO C=CCc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1O ZINC000346848874 428344458 /nfs/dbraw/zinc/34/44/58/428344458.db2.gz OODQDXDCXRIROC-YESZJQIVSA-N 1 3 316.445 2.689 20 30 DFEDHO C[NH+](C)C1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000422010064 429046418 /nfs/dbraw/zinc/04/64/18/429046418.db2.gz SMAANRRHVURDOE-AOCRQIFASA-N 1 3 313.445 2.748 20 30 DFEDHO C=CCSCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422948558 429052602 /nfs/dbraw/zinc/05/26/02/429052602.db2.gz SKPFYHLTFZIFHN-WBVHZDCISA-N 1 3 304.459 2.751 20 30 DFEDHO N#Cc1ccc(N2CCC(NCC3([NH3+])CCCCC3)CC2)cc1 ZINC000423176077 429054665 /nfs/dbraw/zinc/05/46/65/429054665.db2.gz FZAMCGYNUAVBFR-UHFFFAOYSA-N 1 3 312.461 2.778 20 30 DFEDHO Cc1cc[nH+]c(NNC2=CC(=O)N(C(=O)OC(C)(C)C)C2C)c1 ZINC000496006936 429303055 /nfs/dbraw/zinc/30/30/55/429303055.db2.gz ORUHJKSUPNONAE-LLVKDONJSA-N 1 3 318.377 2.714 20 30 DFEDHO C=CC[C@@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000662772164 431189075 /nfs/dbraw/zinc/18/90/75/431189075.db2.gz CSECJUBQMAGQFL-QUCCMNQESA-N 1 3 323.440 2.654 20 30 DFEDHO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H]([NH3+])C3)C2)c(F)c1 ZINC000564667493 302148934 /nfs/dbraw/zinc/14/89/34/302148934.db2.gz LEZBXQHXOBLDBB-XHSDSOJGSA-N 1 3 316.424 2.526 20 30 DFEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H](N)C3)C2)c(F)c1 ZINC000564667493 302148935 /nfs/dbraw/zinc/14/89/35/302148935.db2.gz LEZBXQHXOBLDBB-XHSDSOJGSA-N 1 3 316.424 2.526 20 30 DFEDHO C[C@H]1C[C@H](N(C)Cc2ccc(N(C)CCC#N)cc2)CC[N@@H+]1C ZINC000093644634 332140984 /nfs/dbraw/zinc/14/09/84/332140984.db2.gz UKIKBNNEZXXEMI-QFBILLFUSA-N 1 3 314.477 2.951 20 30 DFEDHO C[C@H]1C[C@H](N(C)Cc2ccc(N(C)CCC#N)cc2)CC[N@H+]1C ZINC000093644634 332140985 /nfs/dbraw/zinc/14/09/85/332140985.db2.gz UKIKBNNEZXXEMI-QFBILLFUSA-N 1 3 314.477 2.951 20 30 DFEDHO CCN1CC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236904837 332244171 /nfs/dbraw/zinc/24/41/71/332244171.db2.gz PTRXDQDFBVJDDP-QGZVFWFLSA-N 1 3 301.434 2.801 20 30 DFEDHO C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N1CCC[C@H](C)C1 ZINC000288628559 334161462 /nfs/dbraw/zinc/16/14/62/334161462.db2.gz AQNMQRFLWOPJCD-RYUDHWBXSA-N 1 3 310.392 2.812 20 30 DFEDHO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)CN(C)C ZINC000291899366 334182830 /nfs/dbraw/zinc/18/28/30/334182830.db2.gz KQVJTAWFHZQNMR-SNVBAGLBSA-N 1 3 318.343 2.510 20 30 DFEDHO C[N@H+](CCOCCC#N)CCC1CCN(c2ccncc2)CC1 ZINC000293912122 334203270 /nfs/dbraw/zinc/20/32/70/334203270.db2.gz XAPFKWJUFUIYKQ-UHFFFAOYSA-N 1 3 316.449 2.550 20 30 DFEDHO C[N@@H+](CCOCCC#N)CCC1CCN(c2ccncc2)CC1 ZINC000293912122 334203271 /nfs/dbraw/zinc/20/32/71/334203271.db2.gz XAPFKWJUFUIYKQ-UHFFFAOYSA-N 1 3 316.449 2.550 20 30 DFEDHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(C#N)cc1 ZINC000278341063 214100186 /nfs/dbraw/zinc/10/01/86/214100186.db2.gz XKPWFIIMVMAGTQ-IBGZPJMESA-N 1 3 314.477 2.627 20 30 DFEDHO Cc1cc(NC2CCN(Cc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000593514506 398649856 /nfs/dbraw/zinc/64/98/56/398649856.db2.gz DQGMMQRSSMJTPW-UHFFFAOYSA-N 1 3 306.413 2.760 20 30 DFEDHO CC(C)C[N@@H+](C)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000593754904 398682133 /nfs/dbraw/zinc/68/21/33/398682133.db2.gz SBQHHUQSNVFMAX-GOSISDBHSA-N 1 3 315.461 2.853 20 30 DFEDHO CC(C)C[N@H+](C)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000593754904 398682128 /nfs/dbraw/zinc/68/21/28/398682128.db2.gz SBQHHUQSNVFMAX-GOSISDBHSA-N 1 3 315.461 2.853 20 30 DFEDHO N#Cc1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000375889356 283154225 /nfs/dbraw/zinc/15/42/25/283154225.db2.gz OPSVWIFEGFBUPY-AZUAARDMSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000375889356 283154229 /nfs/dbraw/zinc/15/42/29/283154229.db2.gz OPSVWIFEGFBUPY-AZUAARDMSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000375889356 283154234 /nfs/dbraw/zinc/15/42/34/283154234.db2.gz OPSVWIFEGFBUPY-AZUAARDMSA-N 1 3 324.472 2.743 20 30 DFEDHO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000598612413 398841372 /nfs/dbraw/zinc/84/13/72/398841372.db2.gz OZCUCSPCBYDGDX-ZMSDIMECSA-N 1 3 307.482 2.530 20 30 DFEDHO C[C@H](NC[C@H](O)CC(C)(C)C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000598612413 398841375 /nfs/dbraw/zinc/84/13/75/398841375.db2.gz OZCUCSPCBYDGDX-ZMSDIMECSA-N 1 3 307.482 2.530 20 30 DFEDHO C[C@H](NC[C@H](O)CC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000598612413 398841377 /nfs/dbraw/zinc/84/13/77/398841377.db2.gz OZCUCSPCBYDGDX-ZMSDIMECSA-N 1 3 307.482 2.530 20 30 DFEDHO CC(C)(CCC#N)C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000594975325 398884916 /nfs/dbraw/zinc/88/49/16/398884916.db2.gz QVSQWTZWIJZNNN-GOSISDBHSA-N 1 3 315.461 2.673 20 30 DFEDHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600713613 399121872 /nfs/dbraw/zinc/12/18/72/399121872.db2.gz CWFAFMHYETXRSN-SFHVURJKSA-N 1 3 315.461 2.673 20 30 DFEDHO C=CCN(CC=C)[C@H](CNC(=O)CCCCCC[NH3+])C(C)C ZINC000269244203 207378967 /nfs/dbraw/zinc/37/89/67/207378967.db2.gz SUWZQBBGRHHZAO-QGZVFWFLSA-N 1 3 309.498 2.710 20 30 DFEDHO C[NH+]1CCC2(CCCN(CCOc3ccccc3C#N)C2)CC1 ZINC000374074447 150303122 /nfs/dbraw/zinc/30/31/22/150303122.db2.gz KQITYETUWSZZKX-UHFFFAOYSA-N 1 3 313.445 2.745 20 30 DFEDHO C[NH+](C)CCOc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000048717302 425877030 /nfs/dbraw/zinc/87/70/30/425877030.db2.gz QEGJVWOAJCLRIX-UHFFFAOYSA-N 1 3 309.413 2.788 20 30 DFEDHO CN(C)CCOc1ccc(CC[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000264394448 426547311 /nfs/dbraw/zinc/54/73/11/426547311.db2.gz TWXWVWUZJFNWDI-UHFFFAOYSA-N 1 3 323.440 2.831 20 30 DFEDHO COc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000290663692 426814489 /nfs/dbraw/zinc/81/44/89/426814489.db2.gz ZVNXORUTKXXVRH-GOSISDBHSA-N 1 3 313.445 2.731 20 30 DFEDHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516165 426841738 /nfs/dbraw/zinc/84/17/38/426841738.db2.gz INUNXMOJVUGVRB-YOEHRIQHSA-N 1 3 301.434 2.729 20 30 DFEDHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516165 426841742 /nfs/dbraw/zinc/84/17/42/426841742.db2.gz INUNXMOJVUGVRB-YOEHRIQHSA-N 1 3 301.434 2.729 20 30 DFEDHO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000276578388 427102943 /nfs/dbraw/zinc/10/29/43/427102943.db2.gz AQLNQALWJYKAJS-LPHOPBHVSA-N 1 3 322.456 2.897 20 30 DFEDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H](C#N)C2)[C@@H](C)C1 ZINC000248934018 427063943 /nfs/dbraw/zinc/06/39/43/427063943.db2.gz YDLRNJNJAJRCKV-FJIDUMEYSA-N 1 3 307.482 2.795 20 30 DFEDHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H](C#N)C2)[C@@H](C)C1 ZINC000248934018 427063950 /nfs/dbraw/zinc/06/39/50/427063950.db2.gz YDLRNJNJAJRCKV-FJIDUMEYSA-N 1 3 307.482 2.795 20 30 DFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000263170687 427428748 /nfs/dbraw/zinc/42/87/48/427428748.db2.gz RJAYHGKNCQFYPV-VQIMIIECSA-N 1 3 315.461 2.785 20 30 DFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298108318 427522864 /nfs/dbraw/zinc/52/28/64/427522864.db2.gz NZDOAYFYXPPYDC-QAPCUYQASA-N 1 3 301.434 2.621 20 30 DFEDHO CN(C)CCOc1cccc(CNC(=[NH2+])Nc2ccccc2)c1 ZINC000264116777 427660022 /nfs/dbraw/zinc/66/00/22/427660022.db2.gz QACBRMMLJZNAFJ-UHFFFAOYSA-N 1 3 312.417 2.554 20 30 DFEDHO C=CCOCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000339200865 427727725 /nfs/dbraw/zinc/72/77/25/427727725.db2.gz JMMBGWOZYZKZCI-OALUTQOASA-N 1 3 300.446 2.643 20 30 DFEDHO C=CCOCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000339200865 427727729 /nfs/dbraw/zinc/72/77/29/427727729.db2.gz JMMBGWOZYZKZCI-OALUTQOASA-N 1 3 300.446 2.643 20 30 DFEDHO CC(C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000336658672 427746238 /nfs/dbraw/zinc/74/62/38/427746238.db2.gz SAKRJIVMLFCDOI-MRXNPFEDSA-N 1 3 311.429 2.661 20 30 DFEDHO CN(CCCC1(C#N)CCOCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000337135287 427803485 /nfs/dbraw/zinc/80/34/85/427803485.db2.gz BTVMNOFZLWHIPE-KRWDZBQOSA-N 1 3 307.482 2.893 20 30 DFEDHO CN(CCCC1(C#N)CCOCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000337135287 427803487 /nfs/dbraw/zinc/80/34/87/427803487.db2.gz BTVMNOFZLWHIPE-KRWDZBQOSA-N 1 3 307.482 2.893 20 30 DFEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)C1 ZINC000362032971 428610931 /nfs/dbraw/zinc/61/09/31/428610931.db2.gz RFZVCBOXKLEPRD-FQBWVUSXSA-N 1 3 319.493 2.936 20 30 DFEDHO C=CCNC(=O)[C@@H](C)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358743076 428654382 /nfs/dbraw/zinc/65/43/82/428654382.db2.gz KAMBQAOWYFMGRO-QGZVFWFLSA-N 1 3 323.525 2.757 20 30 DFEDHO C=CCNC(=O)[C@@H](C)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358743076 428654386 /nfs/dbraw/zinc/65/43/86/428654386.db2.gz KAMBQAOWYFMGRO-QGZVFWFLSA-N 1 3 323.525 2.757 20 30 DFEDHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)C1 ZINC000362232476 428670445 /nfs/dbraw/zinc/67/04/45/428670445.db2.gz BWUDUNJRTOERBS-SFFUCWETSA-N 1 3 305.466 2.548 20 30 DFEDHO C=C(C)CN1CCC([NH2+][C@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422979434 429053067 /nfs/dbraw/zinc/05/30/67/429053067.db2.gz MSPZOUHHZYKWMW-VQIMIIECSA-N 1 3 301.478 2.575 20 30 DFEDHO C#CCCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000271059609 275379122 /nfs/dbraw/zinc/37/91/22/275379122.db2.gz SEFPKLFJVCMWJQ-HXUWFJFHSA-N 1 3 314.473 2.777 20 30 DFEDHO C#CCCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000271059609 275379123 /nfs/dbraw/zinc/37/91/23/275379123.db2.gz SEFPKLFJVCMWJQ-HXUWFJFHSA-N 1 3 314.473 2.777 20 30 DFEDHO C[C@@H]1CN(CCCC[NH2+]C2CCC(C)(C#N)CC2)C[C@@H](C)O1 ZINC000449103603 429332636 /nfs/dbraw/zinc/33/26/36/429332636.db2.gz RANFZXYNQVBILS-MRLCAUJQSA-N 1 3 307.482 2.938 20 30 DFEDHO C=CC[NH+]1CCC(NCc2ccc3c(c2)OCCCCO3)CC1 ZINC000449119560 429336071 /nfs/dbraw/zinc/33/60/71/429336071.db2.gz AAMBMLPKNDDUDS-UHFFFAOYSA-N 1 3 316.445 2.978 20 30 DFEDHO N#CCC[C@H](C#N)CNCC1CC[NH+](Cc2cccs2)CC1 ZINC000554487767 430638533 /nfs/dbraw/zinc/63/85/33/430638533.db2.gz JPVWIIUJMDKSLU-MRXNPFEDSA-N 1 3 316.474 2.993 20 30 DFEDHO C=CC[C@]1(C(=O)NCC(C)(C)N2CCC[C@@H](CC)C2)CCC[NH2+]1 ZINC000662728706 431176001 /nfs/dbraw/zinc/17/60/01/431176001.db2.gz AYTHFKRUXVRTSJ-VQIMIIECSA-N 1 3 321.509 2.702 20 30 DFEDHO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCN1 ZINC000576146947 318106879 /nfs/dbraw/zinc/10/68/79/318106879.db2.gz NVLTXLOLRRXGTK-AGERRDQYSA-N 1 3 313.445 2.978 20 30 DFEDHO C[C@H]1CN(CCCC[NH2+]C2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000449103605 331774402 /nfs/dbraw/zinc/77/44/02/331774402.db2.gz RANFZXYNQVBILS-VYMRPNJYSA-N 1 3 307.482 2.938 20 30 DFEDHO CN(Cc1ccc(N(C)CCC#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253758 332123008 /nfs/dbraw/zinc/12/30/08/332123008.db2.gz NGQYIPIHWWVSDT-GOSISDBHSA-N 1 3 314.477 2.810 20 30 DFEDHO CN(Cc1ccc(N(C)CCC#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253758 332123010 /nfs/dbraw/zinc/12/30/10/332123010.db2.gz NGQYIPIHWWVSDT-GOSISDBHSA-N 1 3 314.477 2.810 20 30 DFEDHO C=CCOCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000378539993 333039731 /nfs/dbraw/zinc/03/97/31/333039731.db2.gz BKMSUURPTAEBIX-IPMKNSEASA-N 1 3 300.446 2.689 20 30 DFEDHO C=CCOCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000378539993 333039732 /nfs/dbraw/zinc/03/97/32/333039732.db2.gz BKMSUURPTAEBIX-IPMKNSEASA-N 1 3 300.446 2.689 20 30 DFEDHO C=CCOCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000378539993 333039734 /nfs/dbraw/zinc/03/97/34/333039734.db2.gz BKMSUURPTAEBIX-IPMKNSEASA-N 1 3 300.446 2.689 20 30 DFEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000294949887 335129278 /nfs/dbraw/zinc/12/92/78/335129278.db2.gz INGLHPGLNRKPQS-UYAOXDASSA-N 1 3 313.489 2.584 20 30 DFEDHO Cc1ccc(NC(=[NH2+])NCCCN2CCCO[C@@H](C)C2)cc1C ZINC000277277985 334087529 /nfs/dbraw/zinc/08/75/29/334087529.db2.gz JWSVRLSSBMCTAC-INIZCTEOSA-N 1 3 318.465 2.531 20 30 DFEDHO C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N1CCC(C)CC1 ZINC000288729451 334161865 /nfs/dbraw/zinc/16/18/65/334161865.db2.gz NHEVSFJUJKPBSQ-LBPRGKRZSA-N 1 3 310.392 2.812 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415966796 334632564 /nfs/dbraw/zinc/63/25/64/334632564.db2.gz AKHRPUNVWYDHNF-UHFFFAOYSA-N 1 3 316.449 2.568 20 30 DFEDHO C=CCc1cc(CN2CCC(C[NH2+]C)CC2)cc(OC)c1O ZINC000347208624 335479958 /nfs/dbraw/zinc/47/99/58/335479958.db2.gz NTMHXHRHHUJHDS-UHFFFAOYSA-N 1 3 304.434 2.561 20 30 DFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)C1 ZINC000362233056 336788878 /nfs/dbraw/zinc/78/88/78/336788878.db2.gz DKSWDYGHIMTXME-SHRADXDESA-N 1 3 305.466 2.689 20 30 DFEDHO C=CCC[C@H](O)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000305092840 337013249 /nfs/dbraw/zinc/01/32/49/337013249.db2.gz QODDWJWLUIDSIG-LNLFQRSKSA-N 1 3 324.509 2.525 20 30 DFEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000377839649 337062416 /nfs/dbraw/zinc/06/24/16/337062416.db2.gz KZOCJCYUPOBDTN-AYBZRNKSSA-N 1 3 313.445 2.894 20 30 DFEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000377839649 337062417 /nfs/dbraw/zinc/06/24/17/337062417.db2.gz KZOCJCYUPOBDTN-AYBZRNKSSA-N 1 3 313.445 2.894 20 30 DFEDHO CCCC[N@H+](C)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426511457 338033868 /nfs/dbraw/zinc/03/38/68/338033868.db2.gz SAKTYDWERBTZIS-FUHWJXTLSA-N 1 3 315.461 2.996 20 30 DFEDHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426511457 338033869 /nfs/dbraw/zinc/03/38/69/338033869.db2.gz SAKTYDWERBTZIS-FUHWJXTLSA-N 1 3 315.461 2.996 20 30 DFEDHO CCN1CCN(c2ccccc2C[NH2+]CC2(CC#N)CC2)CC1 ZINC000430023499 338093736 /nfs/dbraw/zinc/09/37/36/338093736.db2.gz XGTIJFMFJYJFQY-UHFFFAOYSA-N 1 3 312.461 2.612 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000433154593 338183331 /nfs/dbraw/zinc/18/33/31/338183331.db2.gz BEOVPXWQNUDAOM-GOSISDBHSA-N 1 3 313.445 2.751 20 30 DFEDHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365420 338193795 /nfs/dbraw/zinc/19/37/95/338193795.db2.gz PVUIPZOINLMGQV-QZTJIDSGSA-N 1 3 313.445 2.559 20 30 DFEDHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365420 338193796 /nfs/dbraw/zinc/19/37/96/338193796.db2.gz PVUIPZOINLMGQV-QZTJIDSGSA-N 1 3 313.445 2.559 20 30 DFEDHO CCCCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000081984154 398377927 /nfs/dbraw/zinc/37/79/27/398377927.db2.gz GWFBXZPNIPXLLM-ZFWWWQNUSA-N 1 3 308.495 2.835 20 30 DFEDHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000595058397 398898818 /nfs/dbraw/zinc/89/88/18/398898818.db2.gz BBMXKNDWKLNPPF-LSDHHAIUSA-N 1 3 320.456 2.620 20 30 DFEDHO CC[NH+](CC)CCO[C@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000595336419 398923462 /nfs/dbraw/zinc/92/34/62/398923462.db2.gz GBDKZXKMWNNZHD-IBGZPJMESA-N 1 3 315.461 2.533 20 30 DFEDHO C=CC[N@H+](CCCN1CCN(C(C)C)CC1)CCc1ccco1 ZINC000283412900 335004356 /nfs/dbraw/zinc/00/43/56/335004356.db2.gz VVWHWLYLGIMEOB-UHFFFAOYSA-N 1 3 319.493 2.726 20 30 DFEDHO C=CC[N@@H+](CCCN1CCN(C(C)C)CC1)CCc1ccco1 ZINC000283412900 335004357 /nfs/dbraw/zinc/00/43/57/335004357.db2.gz VVWHWLYLGIMEOB-UHFFFAOYSA-N 1 3 319.493 2.726 20 30 DFEDHO CC[NH+](CC)Cc1cccc(CNC[C@@H](O)CC2(C#N)CC2)c1 ZINC000600716423 399121949 /nfs/dbraw/zinc/12/19/49/399121949.db2.gz LELARNZRVIZMOG-SFHVURJKSA-N 1 3 315.461 2.673 20 30 DFEDHO CC[NH+](CC)Cc1cccc(CNC[C@H](O)CC2(C#N)CC2)c1 ZINC000600716422 399122073 /nfs/dbraw/zinc/12/20/73/399122073.db2.gz LELARNZRVIZMOG-GOSISDBHSA-N 1 3 315.461 2.673 20 30 DFEDHO C=CCC1([NH2+]C2CCN(c3ccncc3)CC2)CCOCC1 ZINC000668550563 543824539 /nfs/dbraw/zinc/82/45/39/543824539.db2.gz CCSWBFCZAOWDRV-UHFFFAOYSA-N 1 3 301.434 2.765 20 30 DFEDHO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290643703 335074252 /nfs/dbraw/zinc/07/42/52/335074252.db2.gz YPWMDUNDEINIGA-VQIMIIECSA-N 1 3 300.446 2.861 20 30 DFEDHO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290643703 335074253 /nfs/dbraw/zinc/07/42/53/335074253.db2.gz YPWMDUNDEINIGA-VQIMIIECSA-N 1 3 300.446 2.861 20 30 DFEDHO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000678050271 544589170 /nfs/dbraw/zinc/58/91/70/544589170.db2.gz WVVKWTNRQQBLDN-AABGKKOBSA-N 1 3 314.473 2.910 20 30 DFEDHO C=C(C)[C@H](CO)[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000678050271 544589173 /nfs/dbraw/zinc/58/91/73/544589173.db2.gz WVVKWTNRQQBLDN-AABGKKOBSA-N 1 3 314.473 2.910 20 30 DFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000115628337 426170309 /nfs/dbraw/zinc/17/03/09/426170309.db2.gz UNWVOXKHDMNLQF-APWZRJJASA-N 1 3 315.461 2.785 20 30 DFEDHO C[NH+](C)CCCC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000123294043 426425639 /nfs/dbraw/zinc/42/56/39/426425639.db2.gz CKTFQVFUDWNDQU-IBGZPJMESA-N 1 3 315.461 2.645 20 30 DFEDHO CCCN1CCC([N@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC000264603547 426576125 /nfs/dbraw/zinc/57/61/25/426576125.db2.gz GIIZOMUIUFMQCS-UHFFFAOYSA-N 1 3 301.434 2.895 20 30 DFEDHO CCCN1CCC([N@@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC000264603547 426576128 /nfs/dbraw/zinc/57/61/28/426576128.db2.gz GIIZOMUIUFMQCS-UHFFFAOYSA-N 1 3 301.434 2.895 20 30 DFEDHO N#Cc1cccc(C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000180274858 426850188 /nfs/dbraw/zinc/85/01/88/426850188.db2.gz OGIIZXDEQXQJFH-UHFFFAOYSA-N 1 3 306.413 2.959 20 30 DFEDHO CN(C)[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000277323653 427164457 /nfs/dbraw/zinc/16/44/57/427164457.db2.gz VDYRQESVHCISDA-QGZVFWFLSA-N 1 3 301.434 2.743 20 30 DFEDHO CN(C)[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000277323653 427164463 /nfs/dbraw/zinc/16/44/63/427164463.db2.gz VDYRQESVHCISDA-QGZVFWFLSA-N 1 3 301.434 2.743 20 30 DFEDHO COc1ccc(C[NH2+]CC2(CN(C)C)CCCC2)cc1C#N ZINC000185292605 427630940 /nfs/dbraw/zinc/63/09/40/427630940.db2.gz LAYZBAZYBICYDD-UHFFFAOYSA-N 1 3 301.434 2.778 20 30 DFEDHO COc1ccc(NC(=[NH2+])NCCN(C(C)C)C(C)C)cc1OC ZINC000264103894 427659042 /nfs/dbraw/zinc/65/90/42/427659042.db2.gz NFHNKSZHOODXGV-UHFFFAOYSA-N 1 3 322.453 2.549 20 30 DFEDHO CCN(CC)C(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000264101619 427659213 /nfs/dbraw/zinc/65/92/13/427659213.db2.gz OGXSFWARCLGMLG-AWEZNQCLSA-N 1 3 308.495 2.617 20 30 DFEDHO CN(CCCC1(C#N)CCOCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000337135291 427803781 /nfs/dbraw/zinc/80/37/81/427803781.db2.gz BTVMNOFZLWHIPE-QGZVFWFLSA-N 1 3 307.482 2.893 20 30 DFEDHO CN(CCCC1(C#N)CCOCC1)CC[C@H]1CCCC[N@H+]1C ZINC000337135291 427803783 /nfs/dbraw/zinc/80/37/83/427803783.db2.gz BTVMNOFZLWHIPE-QGZVFWFLSA-N 1 3 307.482 2.893 20 30 DFEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000356835849 428330871 /nfs/dbraw/zinc/33/08/71/428330871.db2.gz CRCXMGXBZYZUIB-MTQWCTHYSA-N 1 3 314.473 2.671 20 30 DFEDHO C[C@@H]1C[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)CN1Cc1ccccc1 ZINC000373609105 428618982 /nfs/dbraw/zinc/61/89/82/428618982.db2.gz GBJIBJSGIDJURF-SJLPKXTDSA-N 1 3 322.456 2.897 20 30 DFEDHO C[N@H+](CCCN1CCCCC1)CCOCc1ccc(C#N)cc1 ZINC000344122420 428624343 /nfs/dbraw/zinc/62/43/43/428624343.db2.gz SUSXXOZRSMHBPQ-UHFFFAOYSA-N 1 3 315.461 2.883 20 30 DFEDHO C[N@@H+](CCCN1CCCCC1)CCOCc1ccc(C#N)cc1 ZINC000344122420 428624348 /nfs/dbraw/zinc/62/43/48/428624348.db2.gz SUSXXOZRSMHBPQ-UHFFFAOYSA-N 1 3 315.461 2.883 20 30 DFEDHO CCN1CCC([N@@H+]2CCCN(CCCC(C)(C)C#N)CC2)CC1 ZINC000420973335 428973967 /nfs/dbraw/zinc/97/39/67/428973967.db2.gz BZOGKBMGSGZJCR-UHFFFAOYSA-N 1 3 320.525 2.808 20 30 DFEDHO CCN1CCC([N@H+]2CCCN(CCCC(C)(C)C#N)CC2)CC1 ZINC000420973335 428973973 /nfs/dbraw/zinc/97/39/73/428973973.db2.gz BZOGKBMGSGZJCR-UHFFFAOYSA-N 1 3 320.525 2.808 20 30 DFEDHO C[C@@]1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCNC1 ZINC000423335662 429067569 /nfs/dbraw/zinc/06/75/69/429067569.db2.gz JFIBSXMOSLGOEB-LJQANCHMSA-N 1 3 312.461 2.506 20 30 DFEDHO Cn1cc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc1C#N ZINC000365238488 429283849 /nfs/dbraw/zinc/28/38/49/429283849.db2.gz AABBOKMZMMTYRQ-INIZCTEOSA-N 1 3 312.461 2.593 20 30 DFEDHO Cn1cc(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc1C#N ZINC000365238488 429283853 /nfs/dbraw/zinc/28/38/53/429283853.db2.gz AABBOKMZMMTYRQ-INIZCTEOSA-N 1 3 312.461 2.593 20 30 DFEDHO C=CCOc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442927608 429241338 /nfs/dbraw/zinc/24/13/38/429241338.db2.gz OHRWDRSZONHSBT-HNNXBMFYSA-N 1 3 304.434 2.821 20 30 DFEDHO N#Cc1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000518514621 429424352 /nfs/dbraw/zinc/42/43/52/429424352.db2.gz BFTISHLLTLIGEJ-IPMKNSEASA-N 1 3 313.445 2.837 20 30 DFEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCCC(C)(C)C#N ZINC000369350896 429928583 /nfs/dbraw/zinc/92/85/83/429928583.db2.gz XSEHAJOVHKZSBQ-ZACQAIPSSA-N 1 3 307.482 2.890 20 30 DFEDHO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000651693626 430852109 /nfs/dbraw/zinc/85/21/09/430852109.db2.gz XWPTZVPNNHXQPR-FUHWJXTLSA-N 1 3 305.510 2.879 20 30 DFEDHO C=C(C)[C@@H](CO)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603517 431191777 /nfs/dbraw/zinc/19/17/77/431191777.db2.gz RDBHAUDNTPUACO-DOTOQJQBSA-N 1 3 308.491 2.747 20 30 DFEDHO C=C(C)[C@@H](CO)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603517 431191782 /nfs/dbraw/zinc/19/17/82/431191782.db2.gz RDBHAUDNTPUACO-DOTOQJQBSA-N 1 3 308.491 2.747 20 30 DFEDHO C=C(C)[C@@H](CO)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603518 431192008 /nfs/dbraw/zinc/19/20/08/431192008.db2.gz RDBHAUDNTPUACO-NVXWUHKLSA-N 1 3 308.491 2.747 20 30 DFEDHO C=C(C)[C@@H](CO)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603518 431192012 /nfs/dbraw/zinc/19/20/12/431192012.db2.gz RDBHAUDNTPUACO-NVXWUHKLSA-N 1 3 308.491 2.747 20 30 DFEDHO CN(C)C(=[NH2+])NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000178423591 333138379 /nfs/dbraw/zinc/13/83/79/333138379.db2.gz VBUTWWKLLIMUID-UHFFFAOYSA-N 1 3 324.472 2.955 20 30 DFEDHO CC(C)(CCC#N)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000180996501 333166563 /nfs/dbraw/zinc/16/65/63/333166563.db2.gz ZIYRDENRZUVVPK-SFHVURJKSA-N 1 3 315.461 2.673 20 30 DFEDHO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414684276 334068380 /nfs/dbraw/zinc/06/83/80/334068380.db2.gz CYRLGOGFRWGYIE-ZBFHGGJFSA-N 1 3 303.406 2.971 20 30 DFEDHO N#CCSCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280243513 334115827 /nfs/dbraw/zinc/11/58/27/334115827.db2.gz BRKWHWBUFQUFAM-HDICACEKSA-N 1 3 315.486 2.697 20 30 DFEDHO N#CCSCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280243513 334115828 /nfs/dbraw/zinc/11/58/28/334115828.db2.gz BRKWHWBUFQUFAM-HDICACEKSA-N 1 3 315.486 2.697 20 30 DFEDHO N#CCCOCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000293539364 334198896 /nfs/dbraw/zinc/19/88/96/334198896.db2.gz KBVWSPNPVZJZLX-LJQANCHMSA-N 1 3 313.445 2.515 20 30 DFEDHO N#CCCOCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000293539364 334198898 /nfs/dbraw/zinc/19/88/98/334198898.db2.gz KBVWSPNPVZJZLX-LJQANCHMSA-N 1 3 313.445 2.515 20 30 DFEDHO C=CCOc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc1OC ZINC000121007981 334340906 /nfs/dbraw/zinc/34/09/06/334340906.db2.gz MGBDFRQACCNYJO-MRXNPFEDSA-N 1 3 304.434 2.644 20 30 DFEDHO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1OC ZINC000121007981 334340907 /nfs/dbraw/zinc/34/09/07/334340907.db2.gz MGBDFRQACCNYJO-MRXNPFEDSA-N 1 3 304.434 2.644 20 30 DFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C(C)C ZINC000346121168 335376281 /nfs/dbraw/zinc/37/62/81/335376281.db2.gz FCBILZLWEBGPHM-FGTMMUONSA-N 1 3 321.509 2.674 20 30 DFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)C1 ZINC000362233054 336788768 /nfs/dbraw/zinc/78/87/68/336788768.db2.gz DKSWDYGHIMTXME-MULDDASSSA-N 1 3 305.466 2.689 20 30 DFEDHO CC(C)N1CCN(C2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000371335899 336901095 /nfs/dbraw/zinc/90/10/95/336901095.db2.gz MKRCOUIFIGSIMX-UHFFFAOYSA-N 1 3 320.525 2.807 20 30 DFEDHO CCCN1CCN(C2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000378339075 337070284 /nfs/dbraw/zinc/07/02/84/337070284.db2.gz DLHRXDBKCQWFSU-UHFFFAOYSA-N 1 3 320.525 2.808 20 30 DFEDHO CN1CCC(C[NH2+]CC(C)(C)CCC#N)(N2CCCCC2)CC1 ZINC000174581832 337142648 /nfs/dbraw/zinc/14/26/48/337142648.db2.gz IOTWACOXGBHLNA-UHFFFAOYSA-N 1 3 320.525 2.856 20 30 DFEDHO C=CCc1cc(CN2CCC3(CC[NH2+]C3)CC2)cc(OC)c1O ZINC000430913329 338118810 /nfs/dbraw/zinc/11/88/10/338118810.db2.gz UGECQPRRVQGQBG-UHFFFAOYSA-N 1 3 316.445 2.705 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439843174 338379373 /nfs/dbraw/zinc/37/93/73/338379373.db2.gz QHHGUDDQMYRVHR-GOSISDBHSA-N 1 3 319.493 2.550 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439843174 338379374 /nfs/dbraw/zinc/37/93/74/338379374.db2.gz QHHGUDDQMYRVHR-GOSISDBHSA-N 1 3 319.493 2.550 20 30 DFEDHO C#C[C@H](CCC)NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000491381003 339860056 /nfs/dbraw/zinc/86/00/56/339860056.db2.gz CCQUOZBAGZVMJE-QGZVFWFLSA-N 1 3 312.461 2.567 20 30 DFEDHO COc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC000592433635 398425717 /nfs/dbraw/zinc/42/57/17/398425717.db2.gz MQKXXHCIRAUAFF-ZWKOTPCHSA-N 1 3 313.445 2.778 20 30 DFEDHO C[N@@H+]1CCC[C@]2(CCN(CCCOc3cccc(C#N)c3)C2)C1 ZINC000293010596 530065371 /nfs/dbraw/zinc/06/53/71/530065371.db2.gz PQOWKLLRRFYXDA-IBGZPJMESA-N 1 3 313.445 2.745 20 30 DFEDHO C[N@H+]1CCC[C@]2(CCN(CCCOc3cccc(C#N)c3)C2)C1 ZINC000293010596 530065372 /nfs/dbraw/zinc/06/53/72/530065372.db2.gz PQOWKLLRRFYXDA-IBGZPJMESA-N 1 3 313.445 2.745 20 30 DFEDHO CCC[N@H+](C)CC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000598464837 398817067 /nfs/dbraw/zinc/81/70/67/398817067.db2.gz JGHSNPKSTGWXQH-KRWDZBQOSA-N 1 3 315.461 2.996 20 30 DFEDHO CCC[N@@H+](C)CC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000598464837 398817069 /nfs/dbraw/zinc/81/70/69/398817069.db2.gz JGHSNPKSTGWXQH-KRWDZBQOSA-N 1 3 315.461 2.996 20 30 DFEDHO CC(C)(C#N)C[C@@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000598719310 398861204 /nfs/dbraw/zinc/86/12/04/398861204.db2.gz JCRGVWVUOULMDL-QGZVFWFLSA-N 1 3 307.482 2.674 20 30 DFEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000598719310 398861205 /nfs/dbraw/zinc/86/12/05/398861205.db2.gz JCRGVWVUOULMDL-QGZVFWFLSA-N 1 3 307.482 2.674 20 30 DFEDHO Cc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C#N ZINC000600712105 399120191 /nfs/dbraw/zinc/12/01/91/399120191.db2.gz WGEJOANRKXOFKF-RBUKOAKNSA-N 1 3 313.445 2.585 20 30 DFEDHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C#N ZINC000600707591 399120354 /nfs/dbraw/zinc/12/03/54/399120354.db2.gz BWSJDUYSHBZEOJ-OTWHNJEPSA-N 1 3 313.445 2.728 20 30 DFEDHO C[C@@H](CCNC[C@H](O)CC1(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000600726695 399126792 /nfs/dbraw/zinc/12/67/92/399126792.db2.gz GSKONVXZGJCVSD-FUHWJXTLSA-N 1 3 315.461 2.541 20 30 DFEDHO C[C@@H](CCNC[C@H](O)CC1(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000600726695 399126798 /nfs/dbraw/zinc/12/67/98/399126798.db2.gz GSKONVXZGJCVSD-FUHWJXTLSA-N 1 3 315.461 2.541 20 30 DFEDHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2CCN(CC#N)CC2)CC1 ZINC000610813300 399409494 /nfs/dbraw/zinc/40/94/94/399409494.db2.gz CCPVWGVIGNSNIQ-LPHOPBHVSA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000610813300 399409497 /nfs/dbraw/zinc/40/94/97/399409497.db2.gz CCPVWGVIGNSNIQ-LPHOPBHVSA-N 1 3 318.509 2.607 20 30 DFEDHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544004 399471448 /nfs/dbraw/zinc/47/14/48/399471448.db2.gz GRKVKEFCCCTQEI-SJORKVTESA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544004 399471449 /nfs/dbraw/zinc/47/14/49/399471449.db2.gz GRKVKEFCCCTQEI-SJORKVTESA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544004 399471450 /nfs/dbraw/zinc/47/14/50/399471450.db2.gz GRKVKEFCCCTQEI-SJORKVTESA-N 1 3 307.482 2.795 20 30 DFEDHO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCC1 ZINC000617503316 399720330 /nfs/dbraw/zinc/72/03/30/399720330.db2.gz DPVQPDBECPNXLC-INIZCTEOSA-N 1 3 309.498 2.511 20 30 DFEDHO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCC1 ZINC000617503316 399720334 /nfs/dbraw/zinc/72/03/34/399720334.db2.gz DPVQPDBECPNXLC-INIZCTEOSA-N 1 3 309.498 2.511 20 30 DFEDHO C[NH+](C)CCOc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000048717309 425877156 /nfs/dbraw/zinc/87/71/56/425877156.db2.gz NFDLUOQMZWUVSD-UHFFFAOYSA-N 1 3 309.413 2.788 20 30 DFEDHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000290363382 426750291 /nfs/dbraw/zinc/75/02/91/426750291.db2.gz GXRFIWSVSRZXKR-KRWDZBQOSA-N 1 3 313.445 2.731 20 30 DFEDHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000269470445 427204400 /nfs/dbraw/zinc/20/44/00/427204400.db2.gz ZVNWGDUQEDXJJU-GJZGRUSLSA-N 1 3 319.424 2.676 20 30 DFEDHO [NH2+]=C(NC[C@@H]1CCCN(Cc2cccs2)C1)NC1CCCC1 ZINC000261890495 427344866 /nfs/dbraw/zinc/34/48/66/427344866.db2.gz SZAHIXLXPAWLGN-AWEZNQCLSA-N 1 3 320.506 2.807 20 30 DFEDHO CN(C)C1(CNC(=[NH2+])Nc2cc(F)ccc2F)CCCCC1 ZINC000262299020 427354755 /nfs/dbraw/zinc/35/47/55/427354755.db2.gz PSPGNXPFHRVARZ-UHFFFAOYSA-N 1 3 310.392 2.956 20 30 DFEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)C1 ZINC000362032972 428610310 /nfs/dbraw/zinc/61/03/10/428610310.db2.gz RFZVCBOXKLEPRD-NNIGNNQHSA-N 1 3 319.493 2.936 20 30 DFEDHO CCNC(NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1)=[NH+]CC ZINC000363588680 428947882 /nfs/dbraw/zinc/94/78/82/428947882.db2.gz PAKBYVARXDIQTL-HOCLYGCPSA-N 1 3 322.884 2.908 20 30 DFEDHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426765765 429413222 /nfs/dbraw/zinc/41/32/22/429413222.db2.gz SAKTYDWERBTZIS-AEFFLSMTSA-N 1 3 315.461 2.996 20 30 DFEDHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426765765 429413224 /nfs/dbraw/zinc/41/32/24/429413224.db2.gz SAKTYDWERBTZIS-AEFFLSMTSA-N 1 3 315.461 2.996 20 30 DFEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449849146 429525473 /nfs/dbraw/zinc/52/54/73/429525473.db2.gz MLHQHFNCJLYUMQ-SFHVURJKSA-N 1 3 319.493 2.550 20 30 DFEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449849146 429525478 /nfs/dbraw/zinc/52/54/78/429525478.db2.gz MLHQHFNCJLYUMQ-SFHVURJKSA-N 1 3 319.493 2.550 20 30 DFEDHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000432420515 429822010 /nfs/dbraw/zinc/82/20/10/429822010.db2.gz KPHWULIENOEQDU-HZPDHXFCSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000432420515 429822012 /nfs/dbraw/zinc/82/20/12/429822012.db2.gz KPHWULIENOEQDU-HZPDHXFCSA-N 1 3 301.434 2.710 20 30 DFEDHO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000651755243 430867081 /nfs/dbraw/zinc/86/70/81/430867081.db2.gz FPEMHTUXTFBYGZ-DOTOQJQBSA-N 1 3 303.450 2.856 20 30 DFEDHO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000237822527 332392734 /nfs/dbraw/zinc/39/27/34/332392734.db2.gz XVHAQOMNDNGPDI-KRWDZBQOSA-N 1 3 313.445 2.943 20 30 DFEDHO CSC[C@H]1CCCN1CC#CC[N@@H+]1CCC[C@@H]1CSC ZINC000351226025 336025545 /nfs/dbraw/zinc/02/55/45/336025545.db2.gz MCFXVWRNMGRRPO-HZPDHXFCSA-N 1 3 312.548 2.645 20 30 DFEDHO CSC[C@H]1CCCN1CC#CC[N@H+]1CCC[C@@H]1CSC ZINC000351226025 336025546 /nfs/dbraw/zinc/02/55/46/336025546.db2.gz MCFXVWRNMGRRPO-HZPDHXFCSA-N 1 3 312.548 2.645 20 30 DFEDHO C[NH+]1CCC2(CCCN(CC#Cc3ccc(F)cc3)C2)CC1 ZINC000376383228 337032379 /nfs/dbraw/zinc/03/23/79/337032379.db2.gz GFVMJEZFFHERQH-UHFFFAOYSA-N 1 3 300.421 2.985 20 30 DFEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000377839650 337062392 /nfs/dbraw/zinc/06/23/92/337062392.db2.gz KZOCJCYUPOBDTN-HHXXYDBFSA-N 1 3 313.445 2.894 20 30 DFEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000377839650 337062393 /nfs/dbraw/zinc/06/23/93/337062393.db2.gz KZOCJCYUPOBDTN-HHXXYDBFSA-N 1 3 313.445 2.894 20 30 DFEDHO C=C[C@@H]1OCCC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158684 337701995 /nfs/dbraw/zinc/70/19/95/337701995.db2.gz WYQWBGDFAKNZPE-VUHPKUFZSA-N 1 3 314.429 2.566 20 30 DFEDHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375286 338194228 /nfs/dbraw/zinc/19/42/28/338194228.db2.gz HGYLAODYUVQSFN-ZWKOTPCHSA-N 1 3 313.445 2.702 20 30 DFEDHO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684767979 546276832 /nfs/dbraw/zinc/27/68/32/546276832.db2.gz WPYJYRDBMYMZQI-PKOBYXMFSA-N 1 3 318.461 2.698 20 30 DFEDHO C=C(C)CNC(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000081983842 398377938 /nfs/dbraw/zinc/37/79/38/398377938.db2.gz RANMHYCRUJTLJR-HIFRSBDPSA-N 1 3 306.479 2.611 20 30 DFEDHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000181774951 199351118 /nfs/dbraw/zinc/35/11/18/199351118.db2.gz JAZITIKUSUIVOL-RDJZCZTQSA-N 1 3 313.445 2.710 20 30 DFEDHO N#Cc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000597178143 398583362 /nfs/dbraw/zinc/58/33/62/398583362.db2.gz OWXHNBFBGBZZLX-UHFFFAOYSA-N 1 3 306.413 2.754 20 30 DFEDHO N#C[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000595064811 398901416 /nfs/dbraw/zinc/90/14/16/398901416.db2.gz BNCSPEBEVDCXBW-OALUTQOASA-N 1 3 312.461 2.966 20 30 DFEDHO CC(C)[C@H](CN[C@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602508448 399463376 /nfs/dbraw/zinc/46/33/76/399463376.db2.gz CCBHMARSVYUIBS-SJORKVTESA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)[C@@H](CN[C@@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602508438 399463670 /nfs/dbraw/zinc/46/36/70/399463670.db2.gz CCBHMARSVYUIBS-DLBZAZTESA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@H](CN[C@H](C)CC1(C#N)CCOCC1)C[NH+]1CCCCC1 ZINC000602518241 399466402 /nfs/dbraw/zinc/46/64/02/399466402.db2.gz OGWZLQTXOBQWIE-IAGOWNOFSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)CN1CCCCC1 ZINC000602518241 399466405 /nfs/dbraw/zinc/46/64/05/399466405.db2.gz OGWZLQTXOBQWIE-IAGOWNOFSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000611438563 399476766 /nfs/dbraw/zinc/47/67/66/399476766.db2.gz AIDJJTWBCNVSAU-HNAYVOBHSA-N 1 3 313.445 2.852 20 30 DFEDHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000611438567 399476979 /nfs/dbraw/zinc/47/69/79/399476979.db2.gz AIPTYASBMXSLQD-HNAYVOBHSA-N 1 3 313.445 2.852 20 30 DFEDHO C[C@H](CCN[C@@H](C)CC1(C#N)CCOCC1)[NH+]1CCCCC1 ZINC000602606465 399488558 /nfs/dbraw/zinc/48/85/58/399488558.db2.gz FCEOCBJKTAWJIH-DLBZAZTESA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@H](CC[NH2+][C@@H](C)CC1(C#N)CCOCC1)N1CCCCC1 ZINC000602606465 399488562 /nfs/dbraw/zinc/48/85/62/399488562.db2.gz FCEOCBJKTAWJIH-DLBZAZTESA-N 1 3 307.482 2.939 20 30 DFEDHO C[NH+](C)CCCOc1cnccc1CNC1CCC(C#N)CC1 ZINC000602665888 399510370 /nfs/dbraw/zinc/51/03/70/399510370.db2.gz XWKRPUHRAMMWIG-UHFFFAOYSA-N 1 3 316.449 2.584 20 30 DFEDHO N#Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000404579823 268073043 /nfs/dbraw/zinc/07/30/43/268073043.db2.gz XVBTUFFKSCXYPG-UHFFFAOYSA-N 1 3 310.376 2.851 20 30 DFEDHO C[C@H]1CN(CC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000157920474 425940544 /nfs/dbraw/zinc/94/05/44/425940544.db2.gz XBGIIDDZEYUVDX-HOTGVXAUSA-N 1 3 307.482 2.747 20 30 DFEDHO C[NH+](C)CCOc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177686618 426506510 /nfs/dbraw/zinc/50/65/10/426506510.db2.gz HUUVKWUUSWOSHY-UHFFFAOYSA-N 1 3 315.442 2.850 20 30 DFEDHO C=CCCOCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271424951 427533464 /nfs/dbraw/zinc/53/34/64/427533464.db2.gz CISIOQAOSVBKRG-MRXNPFEDSA-N 1 3 306.450 2.870 20 30 DFEDHO C=CCCOCCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271424951 427533471 /nfs/dbraw/zinc/53/34/71/427533471.db2.gz CISIOQAOSVBKRG-MRXNPFEDSA-N 1 3 306.450 2.870 20 30 DFEDHO CC[C@H](C)NC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264100057 427658795 /nfs/dbraw/zinc/65/87/95/427658795.db2.gz NVAODYJAGPHTDH-ZDUSSCGKSA-N 1 3 308.495 2.663 20 30 DFEDHO C=CCOc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000347014328 428408215 /nfs/dbraw/zinc/40/82/15/428408215.db2.gz IOGYONNIJZIDCM-CQSZACIVSA-N 1 3 304.434 2.819 20 30 DFEDHO COCC[N@H+](C)CCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360833325 428455739 /nfs/dbraw/zinc/45/57/39/428455739.db2.gz HDYPNCUVEZVYRB-IBGZPJMESA-N 1 3 315.461 2.884 20 30 DFEDHO COCC[N@@H+](C)CCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360833325 428455744 /nfs/dbraw/zinc/45/57/44/428455744.db2.gz HDYPNCUVEZVYRB-IBGZPJMESA-N 1 3 315.461 2.884 20 30 DFEDHO N#Cc1ccccc1N1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000372206048 428423131 /nfs/dbraw/zinc/42/31/31/428423131.db2.gz YQKAISDGUWPQFZ-FHWLQOOXSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccccc1N1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000372206048 428423137 /nfs/dbraw/zinc/42/31/37/428423137.db2.gz YQKAISDGUWPQFZ-FHWLQOOXSA-N 1 3 324.472 2.743 20 30 DFEDHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)CN1CCCCC1 ZINC000362032653 428610385 /nfs/dbraw/zinc/61/03/85/428610385.db2.gz OWXNSFYPAOVDMI-NNIGNNQHSA-N 1 3 319.493 2.938 20 30 DFEDHO C=CCN(CC[C@H]1CCC[NH2+]C1)Cc1cccc([N+](=O)[O-])c1 ZINC000420298508 428955617 /nfs/dbraw/zinc/95/56/17/428955617.db2.gz HKCAWXGYIDRNNN-OAHLLOKOSA-N 1 3 303.406 2.973 20 30 DFEDHO N#Cc1ccccc1CSCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422990690 429054161 /nfs/dbraw/zinc/05/41/61/429054161.db2.gz NSJLMJCXTCSNGO-SJPCQFCGSA-N 1 3 301.459 2.664 20 30 DFEDHO C[C@H](C[C@H](C)N)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422984698 429054217 /nfs/dbraw/zinc/05/42/17/429054217.db2.gz BHCDJFOXWZJASI-HOBHPSKFSA-N 1 3 301.434 2.964 20 30 DFEDHO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H]1CCCNC1 ZINC000423212612 429054348 /nfs/dbraw/zinc/05/43/48/429054348.db2.gz IQBKWGLNJDOBPX-NVXWUHKLSA-N 1 3 312.461 2.505 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424435601 429143230 /nfs/dbraw/zinc/14/32/30/429143230.db2.gz LCZFFJVGOPSMCA-UHFFFAOYSA-N 1 3 316.449 2.616 20 30 DFEDHO C[N@@H+]1CCC[C@H](CCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000458237371 429606526 /nfs/dbraw/zinc/60/65/26/429606526.db2.gz ZABTVSVYOOBXKJ-MSOLQXFVSA-N 1 3 313.445 2.607 20 30 DFEDHO C[N@H+]1CCC[C@H](CCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000458237371 429606530 /nfs/dbraw/zinc/60/65/30/429606530.db2.gz ZABTVSVYOOBXKJ-MSOLQXFVSA-N 1 3 313.445 2.607 20 30 DFEDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000369343478 429925534 /nfs/dbraw/zinc/92/55/34/429925534.db2.gz NOROFNKFSNJGNM-LZQZEXGQSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000369343478 429925539 /nfs/dbraw/zinc/92/55/39/429925539.db2.gz NOROFNKFSNJGNM-LZQZEXGQSA-N 1 3 313.445 2.537 20 30 DFEDHO CC#CC[C@H](CO)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000641767271 430466626 /nfs/dbraw/zinc/46/66/26/430466626.db2.gz ICEFQUIVZXVHEY-GOSISDBHSA-N 1 3 302.462 2.509 20 30 DFEDHO CC#CC[C@H](CO)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000641767271 430466629 /nfs/dbraw/zinc/46/66/29/430466629.db2.gz ICEFQUIVZXVHEY-GOSISDBHSA-N 1 3 302.462 2.509 20 30 DFEDHO C=CC[C@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000662772166 431190572 /nfs/dbraw/zinc/19/05/72/431190572.db2.gz CSECJUBQMAGQFL-UYAOXDASSA-N 1 3 323.440 2.654 20 30 DFEDHO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000565844290 302244803 /nfs/dbraw/zinc/24/48/03/302244803.db2.gz XTPZABZHHSTXAD-KZYLPZIUSA-N 1 3 314.433 2.503 20 30 DFEDHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426790461 332153938 /nfs/dbraw/zinc/15/39/38/332153938.db2.gz ABMIJVVSXSPRDP-DOTOQJQBSA-N 1 3 301.434 2.604 20 30 DFEDHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426790461 332153939 /nfs/dbraw/zinc/15/39/39/332153939.db2.gz ABMIJVVSXSPRDP-DOTOQJQBSA-N 1 3 301.434 2.604 20 30 DFEDHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274209247 334056988 /nfs/dbraw/zinc/05/69/88/334056988.db2.gz NGIIQVDQGNZTBC-QZTJIDSGSA-N 1 3 315.461 2.841 20 30 DFEDHO C=CCc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc(OC)c1O ZINC000414808311 334104809 /nfs/dbraw/zinc/10/48/09/334104809.db2.gz SDPXIAXYYOPDPP-JKSUJKDBSA-N 1 3 304.434 2.736 20 30 DFEDHO C=CCc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc(OC)c1O ZINC000414808306 334104827 /nfs/dbraw/zinc/10/48/27/334104827.db2.gz SDPXIAXYYOPDPP-HOTGVXAUSA-N 1 3 304.434 2.736 20 30 DFEDHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000290450234 334172880 /nfs/dbraw/zinc/17/28/80/334172880.db2.gz VYISETBBYGEEAC-RDJZCZTQSA-N 1 3 316.449 2.584 20 30 DFEDHO C=CCOc1ccc(C[N@H+](C)C[C@H]2CCN(C)C2)cc1OC ZINC000121007825 334341377 /nfs/dbraw/zinc/34/13/77/334341377.db2.gz MGBDFRQACCNYJO-INIZCTEOSA-N 1 3 304.434 2.644 20 30 DFEDHO C=CCOc1ccc(C[N@@H+](C)C[C@H]2CCN(C)C2)cc1OC ZINC000121007825 334341378 /nfs/dbraw/zinc/34/13/78/334341378.db2.gz MGBDFRQACCNYJO-INIZCTEOSA-N 1 3 304.434 2.644 20 30 DFEDHO CSC[C@H]1CCCN1CC#CC[N@@H+]1CCC[C@H]1CSC ZINC000351226027 336025527 /nfs/dbraw/zinc/02/55/27/336025527.db2.gz MCFXVWRNMGRRPO-IYBDPMFKSA-N 1 3 312.548 2.645 20 30 DFEDHO CSC[C@H]1CCCN1CC#CC[N@H+]1CCC[C@H]1CSC ZINC000351226027 336025529 /nfs/dbraw/zinc/02/55/29/336025529.db2.gz MCFXVWRNMGRRPO-IYBDPMFKSA-N 1 3 312.548 2.645 20 30 DFEDHO CSC[C@H]1CCC[N@H+]1CC#CCN1CCC[C@H]1CSC ZINC000351226027 336025531 /nfs/dbraw/zinc/02/55/31/336025531.db2.gz MCFXVWRNMGRRPO-IYBDPMFKSA-N 1 3 312.548 2.645 20 30 DFEDHO CSC[C@H]1CCC[N@@H+]1CC#CCN1CCC[C@H]1CSC ZINC000351226027 336025533 /nfs/dbraw/zinc/02/55/33/336025533.db2.gz MCFXVWRNMGRRPO-IYBDPMFKSA-N 1 3 312.548 2.645 20 30 DFEDHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)CN1CCCC1 ZINC000378459304 337073298 /nfs/dbraw/zinc/07/32/98/337073298.db2.gz ZBWXLAPKKYSONA-SFFUCWETSA-N 1 3 305.466 2.548 20 30 DFEDHO C[C@H]1CN(CCC2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000177507602 337156412 /nfs/dbraw/zinc/15/64/12/337156412.db2.gz LZBPKFCNAYGLLP-IRXDYDNUSA-N 1 3 307.482 2.892 20 30 DFEDHO C[NH+]=C(NCc1ccc(C)s1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262463170 337618393 /nfs/dbraw/zinc/61/83/93/337618393.db2.gz MYSHIXVKBCTNPD-OAHLLOKOSA-N 1 3 320.506 2.692 20 30 DFEDHO Cn1cc(CNC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000365159220 527218526 /nfs/dbraw/zinc/21/85/26/527218526.db2.gz YGTGVMKXYQMLQE-RHSMWYFYSA-N 1 3 314.458 2.741 20 30 DFEDHO Cn1cc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000365159220 527218527 /nfs/dbraw/zinc/21/85/27/527218527.db2.gz YGTGVMKXYQMLQE-RHSMWYFYSA-N 1 3 314.458 2.741 20 30 DFEDHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181493074 199305741 /nfs/dbraw/zinc/30/57/41/199305741.db2.gz HWMISXZBUQCLSI-KRWDZBQOSA-N 1 3 314.477 2.627 20 30 DFEDHO CN(C)CCOc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000590656419 398646380 /nfs/dbraw/zinc/64/63/80/398646380.db2.gz BTKJNLZQEGRCME-RDJZCZTQSA-N 1 3 301.434 2.799 20 30 DFEDHO N#Cc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000594968466 398883926 /nfs/dbraw/zinc/88/39/26/398883926.db2.gz HAIZJQUBYGZABO-UHFFFAOYSA-N 1 3 320.440 2.955 20 30 DFEDHO C#CCSCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000181097133 199251580 /nfs/dbraw/zinc/25/15/80/199251580.db2.gz NVKURLQQWUYQSX-OAHLLOKOSA-N 1 3 306.475 2.644 20 30 DFEDHO C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C#N)c(F)c1 ZINC000595102796 398906355 /nfs/dbraw/zinc/90/63/55/398906355.db2.gz MAEXVDAASNTFRY-DYVFJYSZSA-N 1 3 317.408 2.601 20 30 DFEDHO C=CCc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc(OC)c1O ZINC000092253564 193181424 /nfs/dbraw/zinc/18/14/24/193181424.db2.gz BPOFJBYTMWLMRN-HNNXBMFYSA-N 1 3 318.461 2.903 20 30 DFEDHO C=CCc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc(OC)c1O ZINC000092253564 193181426 /nfs/dbraw/zinc/18/14/26/193181426.db2.gz BPOFJBYTMWLMRN-HNNXBMFYSA-N 1 3 318.461 2.903 20 30 DFEDHO CC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(C#N)cc1 ZINC000602021214 399385725 /nfs/dbraw/zinc/38/57/25/399385725.db2.gz OWOQTNJPDFRVPE-GOSISDBHSA-N 1 3 321.428 2.926 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[NH+]1CCC(C)CC1 ZINC000602503535 399462477 /nfs/dbraw/zinc/46/24/77/399462477.db2.gz QAJMTNRNIQUPTL-KRWDZBQOSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCC(C)CC1 ZINC000602503535 399462478 /nfs/dbraw/zinc/46/24/78/399462478.db2.gz QAJMTNRNIQUPTL-KRWDZBQOSA-N 1 3 307.482 2.797 20 30 DFEDHO CC(C)CN1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602512980 399465094 /nfs/dbraw/zinc/46/50/94/399465094.db2.gz XXWVMTAZLCRHGY-MRXNPFEDSA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)C[NH+]1CCC(N[C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602512980 399465097 /nfs/dbraw/zinc/46/50/97/399465097.db2.gz XXWVMTAZLCRHGY-MRXNPFEDSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@H](CCC#N)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000602564625 399477576 /nfs/dbraw/zinc/47/75/76/399477576.db2.gz VGMPLZNGFUDTBG-MRXNPFEDSA-N 1 3 315.461 2.673 20 30 DFEDHO N#CCc1ccc(C[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000602845421 399598554 /nfs/dbraw/zinc/59/85/54/399598554.db2.gz KOIXDZZPFLLKIT-UHFFFAOYSA-N 1 3 306.413 2.860 20 30 DFEDHO N#CCc1ccc(C[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000602845421 399598558 /nfs/dbraw/zinc/59/85/58/399598558.db2.gz KOIXDZZPFLLKIT-UHFFFAOYSA-N 1 3 306.413 2.860 20 30 DFEDHO N#Cc1ccc(OCCN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602846435 399600513 /nfs/dbraw/zinc/60/05/13/399600513.db2.gz PXYMOWVMFWHLEO-UHFFFAOYSA-N 1 3 322.412 2.544 20 30 DFEDHO C=C(C)CNC(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000366817553 335062048 /nfs/dbraw/zinc/06/20/48/335062048.db2.gz HAWJZLYLHXLORC-GOSISDBHSA-N 1 3 300.450 2.589 20 30 DFEDHO C#Cc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000290407667 335073454 /nfs/dbraw/zinc/07/34/54/335073454.db2.gz PZBGEGKNQIJTPD-VQTJNVASSA-N 1 3 312.457 2.525 20 30 DFEDHO C[C@@H]1CC[NH2+]CC[C@H]1NCCSCc1ccccc1C#N ZINC000422985928 267741610 /nfs/dbraw/zinc/74/16/10/267741610.db2.gz FXQXMEXVBLOXGS-RHSMWYFYSA-N 1 3 303.475 2.769 20 30 DFEDHO C[C@@H]1CCNCC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422985928 267741614 /nfs/dbraw/zinc/74/16/14/267741614.db2.gz FXQXMEXVBLOXGS-RHSMWYFYSA-N 1 3 303.475 2.769 20 30 DFEDHO C[NH+](C)CCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000048717123 425877202 /nfs/dbraw/zinc/87/72/02/425877202.db2.gz ACTWEFBOJZGOBL-UHFFFAOYSA-N 1 3 309.413 2.788 20 30 DFEDHO C=C(C)COCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000090451304 426328123 /nfs/dbraw/zinc/32/81/23/426328123.db2.gz NUQARHIEJOVOOK-UHFFFAOYSA-N 1 3 302.462 2.876 20 30 DFEDHO [NH2+]=C(NC[C@@H]1CCN(Cc2ccccc2)C1)Nc1ccccc1 ZINC000195164771 426504740 /nfs/dbraw/zinc/50/47/40/426504740.db2.gz MJFMPQHGGTZIOJ-KRWDZBQOSA-N 1 3 308.429 2.935 20 30 DFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000247296080 426923678 /nfs/dbraw/zinc/92/36/78/426923678.db2.gz UNWVOXKHDMNLQF-QFBILLFUSA-N 1 3 315.461 2.785 20 30 DFEDHO CC(C)CNC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262422114 427358762 /nfs/dbraw/zinc/35/87/62/427358762.db2.gz RCHLRYIDMUYIJQ-DZGCQCFKSA-N 1 3 308.495 2.691 20 30 DFEDHO CC[C@@H](C)NC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264100052 427658809 /nfs/dbraw/zinc/65/88/09/427658809.db2.gz NVAODYJAGPHTDH-CYBMUJFWSA-N 1 3 308.495 2.663 20 30 DFEDHO C=CCOc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346850788 428345238 /nfs/dbraw/zinc/34/52/38/428345238.db2.gz IBNQAINRRZGESZ-GVDBMIGSSA-N 1 3 316.445 2.819 20 30 DFEDHO CC(C)N1CCN(C2CC[NH+](CCCC(C)(C)C#N)CC2)CC1 ZINC000371344657 428384646 /nfs/dbraw/zinc/38/46/46/428384646.db2.gz MKWUUBDLTIYYJZ-UHFFFAOYSA-N 1 3 320.525 2.807 20 30 DFEDHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000342810061 428462310 /nfs/dbraw/zinc/46/23/10/428462310.db2.gz OAOIBWMZNWYXBQ-DLBZAZTESA-N 1 3 313.445 2.941 20 30 DFEDHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000342810063 428462372 /nfs/dbraw/zinc/46/23/72/428462372.db2.gz OAOIBWMZNWYXBQ-IRXDYDNUSA-N 1 3 313.445 2.941 20 30 DFEDHO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)CN1Cc1ccccc1 ZINC000373609103 428618518 /nfs/dbraw/zinc/61/85/18/428618518.db2.gz GBJIBJSGIDJURF-AEFFLSMTSA-N 1 3 322.456 2.897 20 30 DFEDHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)C1 ZINC000362232475 428670027 /nfs/dbraw/zinc/67/00/27/428670027.db2.gz BWUDUNJRTOERBS-ILOCAZANSA-N 1 3 305.466 2.548 20 30 DFEDHO C=CCSCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422948555 429052352 /nfs/dbraw/zinc/05/23/52/429052352.db2.gz SKPFYHLTFZIFHN-DOTOQJQBSA-N 1 3 304.459 2.751 20 30 DFEDHO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H]1CCCNC1 ZINC000423212611 429054359 /nfs/dbraw/zinc/05/43/59/429054359.db2.gz IQBKWGLNJDOBPX-DOTOQJQBSA-N 1 3 312.461 2.505 20 30 DFEDHO CN(C)[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000365401331 429314088 /nfs/dbraw/zinc/31/40/88/429314088.db2.gz DDTBZNBAOFOLEK-QGZVFWFLSA-N 1 3 301.434 2.743 20 30 DFEDHO CN(C)[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000365401331 429314094 /nfs/dbraw/zinc/31/40/94/429314094.db2.gz DDTBZNBAOFOLEK-QGZVFWFLSA-N 1 3 301.434 2.743 20 30 DFEDHO N#Cc1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000518514619 429425587 /nfs/dbraw/zinc/42/55/87/429425587.db2.gz BFTISHLLTLIGEJ-GBESFXJTSA-N 1 3 313.445 2.837 20 30 DFEDHO CN(C[C@@H](C#N)CCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886913 429736463 /nfs/dbraw/zinc/73/64/63/429736463.db2.gz RNCYUJWQFHKEFU-QGZVFWFLSA-N 1 3 311.433 2.673 20 30 DFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658143462 430822249 /nfs/dbraw/zinc/82/22/49/430822249.db2.gz YKXMOGJBAUNWEL-FCEWJHQRSA-N 1 3 302.462 2.944 20 30 DFEDHO N#Cc1ccc(N2CCC[C@H](N[C@H]3CCC[C@@H]([NH3+])C3)C2)c(F)c1 ZINC000564667485 302149107 /nfs/dbraw/zinc/14/91/07/302149107.db2.gz LEZBXQHXOBLDBB-PMPSAXMXSA-N 1 3 316.424 2.526 20 30 DFEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H](N)C3)C2)c(F)c1 ZINC000564667485 302149109 /nfs/dbraw/zinc/14/91/09/302149109.db2.gz LEZBXQHXOBLDBB-PMPSAXMXSA-N 1 3 316.424 2.526 20 30 DFEDHO CN(C)C(=[NH+]C[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1)N(C)C ZINC000364205598 333272248 /nfs/dbraw/zinc/27/22/48/333272248.db2.gz HJSZKPNAQDAPCT-GOEBONIOSA-N 1 3 322.884 2.812 20 30 DFEDHO C=CCOc1ccccc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414773737 334090957 /nfs/dbraw/zinc/09/09/57/334090957.db2.gz AVZUIMHRPPUBIM-MJGOQNOKSA-N 1 3 316.445 2.580 20 30 DFEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000343578423 335178840 /nfs/dbraw/zinc/17/88/40/335178840.db2.gz KBBQUXANCBTFQL-KRWDZBQOSA-N 1 3 321.509 2.629 20 30 DFEDHO C=CCOc1cccc(CN2CCC(OCCC[NH3+])CC2)c1 ZINC000346833772 335444538 /nfs/dbraw/zinc/44/45/38/335444538.db2.gz MOYURNLXYQBTMZ-UHFFFAOYSA-N 1 3 304.434 2.581 20 30 DFEDHO CCN(CC)C(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000304772140 337002996 /nfs/dbraw/zinc/00/29/96/337002996.db2.gz AMFDXUJTUUWIHY-HIFRSBDPSA-N 1 3 308.495 2.788 20 30 DFEDHO C=CCC[C@@H](O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375486660 337011959 /nfs/dbraw/zinc/01/19/59/337011959.db2.gz NYCXPRGRMRFJIZ-GUDVDZBRSA-N 1 3 302.462 2.986 20 30 DFEDHO C=CCC[C@@H](O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375486660 337011960 /nfs/dbraw/zinc/01/19/60/337011960.db2.gz NYCXPRGRMRFJIZ-GUDVDZBRSA-N 1 3 302.462 2.986 20 30 DFEDHO CN1CCC[C@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1cccs1 ZINC000178583731 337165276 /nfs/dbraw/zinc/16/52/76/337165276.db2.gz LPVSHYVDRQOUQG-GDBMZVCRSA-N 1 3 320.506 2.932 20 30 DFEDHO C=CCN(CC=C)[C@H](CNC(=O)CCC1CC[NH2+]CC1)C(C)C ZINC000270964974 337643205 /nfs/dbraw/zinc/64/32/05/337643205.db2.gz HVUSAPYSUIDHCD-GOSISDBHSA-N 1 3 321.509 2.581 20 30 DFEDHO C=C(C)CN1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422979433 337693490 /nfs/dbraw/zinc/69/34/90/337693490.db2.gz MSPZOUHHZYKWMW-QFBILLFUSA-N 1 3 301.478 2.575 20 30 DFEDHO Cc1ccc[nH+]c1NNC1=CC(=O)N(C(=O)OC(C)(C)C)C1C ZINC000496285304 340002197 /nfs/dbraw/zinc/00/21/97/340002197.db2.gz RHFDGFFRGYCNJI-NSHDSACASA-N 1 3 318.377 2.714 20 30 DFEDHO COc1ccc([C@@H](CCC#N)[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000581170938 398388016 /nfs/dbraw/zinc/38/80/16/398388016.db2.gz BYYNWJYOIRLWJT-CRAIPNDOSA-N 1 3 301.434 2.971 20 30 DFEDHO C=CCC[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821505 185344055 /nfs/dbraw/zinc/34/40/55/185344055.db2.gz IZIJMNWRGSWZQE-IBGZPJMESA-N 1 3 317.477 2.947 20 30 DFEDHO C=CCC[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821505 185344056 /nfs/dbraw/zinc/34/40/56/185344056.db2.gz IZIJMNWRGSWZQE-IBGZPJMESA-N 1 3 317.477 2.947 20 30 DFEDHO N#Cc1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000375889409 283154080 /nfs/dbraw/zinc/15/40/80/283154080.db2.gz OPSVWIFEGFBUPY-QUCCMNQESA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000375889409 283154083 /nfs/dbraw/zinc/15/40/83/283154083.db2.gz OPSVWIFEGFBUPY-QUCCMNQESA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000375889409 283154089 /nfs/dbraw/zinc/15/40/89/283154089.db2.gz OPSVWIFEGFBUPY-QUCCMNQESA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000594968237 398884182 /nfs/dbraw/zinc/88/41/82/398884182.db2.gz FHHOXSZQMPXHMZ-UHFFFAOYSA-N 1 3 310.401 2.548 20 30 DFEDHO C#CCSCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000181097115 199251749 /nfs/dbraw/zinc/25/17/49/199251749.db2.gz NVKURLQQWUYQSX-HNNXBMFYSA-N 1 3 306.475 2.644 20 30 DFEDHO C=CC[NH+]1CCC(NCc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623407704 399381934 /nfs/dbraw/zinc/38/19/34/399381934.db2.gz SMZOOEQDOTTZPE-UHFFFAOYSA-N 1 3 316.445 2.976 20 30 DFEDHO CN(CCCOc1cccc(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000156498999 197117826 /nfs/dbraw/zinc/11/78/26/197117826.db2.gz PODUJSCRIHYVEO-KRWDZBQOSA-N 1 3 301.434 2.601 20 30 DFEDHO CN(CCCOc1cccc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000156498999 197117827 /nfs/dbraw/zinc/11/78/27/197117827.db2.gz PODUJSCRIHYVEO-KRWDZBQOSA-N 1 3 301.434 2.601 20 30 DFEDHO CC#CCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000155487642 197059392 /nfs/dbraw/zinc/05/93/92/197059392.db2.gz HXLKOVYWMPMYPP-HXUWFJFHSA-N 1 3 314.473 2.777 20 30 DFEDHO CC#CCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000155487642 197059394 /nfs/dbraw/zinc/05/93/94/197059394.db2.gz HXLKOVYWMPMYPP-HXUWFJFHSA-N 1 3 314.473 2.777 20 30 DFEDHO CC[NH+]1CCC(N(CCOc2cccc(C#N)c2)C2CC2)CC1 ZINC000371261494 150012483 /nfs/dbraw/zinc/01/24/83/150012483.db2.gz ZAPISCSUNQZYEY-UHFFFAOYSA-N 1 3 313.445 2.886 20 30 DFEDHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000067452788 425910916 /nfs/dbraw/zinc/91/09/16/425910916.db2.gz MXCWTLSECAJTKO-HZPDHXFCSA-N 1 3 301.434 2.537 20 30 DFEDHO C[NH+](C)CCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000048715130 425877023 /nfs/dbraw/zinc/87/70/23/425877023.db2.gz NTIRGSNJRLXDNO-UHFFFAOYSA-N 1 3 309.413 2.788 20 30 DFEDHO C=CCC[C@@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000132508221 426169775 /nfs/dbraw/zinc/16/97/75/426169775.db2.gz XENQGRIOJQJMQK-RBUKOAKNSA-N 1 3 302.462 2.767 20 30 DFEDHO C=CCC[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000132508221 426169779 /nfs/dbraw/zinc/16/97/79/426169779.db2.gz XENQGRIOJQJMQK-RBUKOAKNSA-N 1 3 302.462 2.767 20 30 DFEDHO N#Cc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000180276034 426848291 /nfs/dbraw/zinc/84/82/91/426848291.db2.gz XLUWWIITDARFDL-UHFFFAOYSA-N 1 3 306.413 2.959 20 30 DFEDHO C=CCNC(=O)[C@@H](C)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357091273 428381726 /nfs/dbraw/zinc/38/17/26/428381726.db2.gz WYEYRGYGVUWDGT-MRXNPFEDSA-N 1 3 321.509 2.511 20 30 DFEDHO C=CCNC(=O)[C@@H](C)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357091273 428381735 /nfs/dbraw/zinc/38/17/35/428381735.db2.gz WYEYRGYGVUWDGT-MRXNPFEDSA-N 1 3 321.509 2.511 20 30 DFEDHO CN(C)CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000342733399 428439620 /nfs/dbraw/zinc/43/96/20/428439620.db2.gz UAYOKJWMQCTWDB-INIZCTEOSA-N 1 3 313.449 2.662 20 30 DFEDHO C=CCCC[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000353322506 428484949 /nfs/dbraw/zinc/48/49/49/428484949.db2.gz CFIZZEOZSSHZDZ-KAKFPZCNSA-N 1 3 305.510 2.974 20 30 DFEDHO C=CCCC[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000353322506 428484955 /nfs/dbraw/zinc/48/49/55/428484955.db2.gz CFIZZEOZSSHZDZ-KAKFPZCNSA-N 1 3 305.510 2.974 20 30 DFEDHO CN(CCCCC(C)(C)C#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373038236 428515319 /nfs/dbraw/zinc/51/53/19/428515319.db2.gz ZWQSVDXUXAIJSE-SFHVURJKSA-N 1 3 320.525 2.807 20 30 DFEDHO CN(CCCCC(C)(C)C#N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373038236 428515326 /nfs/dbraw/zinc/51/53/26/428515326.db2.gz ZWQSVDXUXAIJSE-SFHVURJKSA-N 1 3 320.525 2.807 20 30 DFEDHO CN1CCC(N2CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)C2)CC1 ZINC000373038236 428515335 /nfs/dbraw/zinc/51/53/35/428515335.db2.gz ZWQSVDXUXAIJSE-SFHVURJKSA-N 1 3 320.525 2.807 20 30 DFEDHO CN1CCC(N2CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C2)CC1 ZINC000373038236 428515338 /nfs/dbraw/zinc/51/53/38/428515338.db2.gz ZWQSVDXUXAIJSE-SFHVURJKSA-N 1 3 320.525 2.807 20 30 DFEDHO C=CCOCCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000348060896 428636735 /nfs/dbraw/zinc/63/67/35/428636735.db2.gz SEVYJJWTQDIRJY-ROUUACIJSA-N 1 3 324.509 2.790 20 30 DFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000276584480 274354861 /nfs/dbraw/zinc/35/48/61/274354861.db2.gz CHAOJYRFBRWUPH-UZLBHIALSA-N 1 3 322.456 2.897 20 30 DFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000276584480 274354863 /nfs/dbraw/zinc/35/48/63/274354863.db2.gz CHAOJYRFBRWUPH-UZLBHIALSA-N 1 3 322.456 2.897 20 30 DFEDHO C[NH+](C)C1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000422010066 429047099 /nfs/dbraw/zinc/04/70/99/429047099.db2.gz SMAANRRHVURDOE-WWDZGPRUSA-N 1 3 313.445 2.748 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000453348707 429148513 /nfs/dbraw/zinc/14/85/13/429148513.db2.gz IAJJYHNJGRWMCJ-WAPOTWQKSA-N 1 3 312.457 2.830 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000453348707 429148516 /nfs/dbraw/zinc/14/85/16/429148516.db2.gz IAJJYHNJGRWMCJ-WAPOTWQKSA-N 1 3 312.457 2.830 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000453348707 429148521 /nfs/dbraw/zinc/14/85/21/429148521.db2.gz IAJJYHNJGRWMCJ-WAPOTWQKSA-N 1 3 312.457 2.830 20 30 DFEDHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000443969576 429259092 /nfs/dbraw/zinc/25/90/92/429259092.db2.gz PXUFOVLUOAEWCH-CALCHBBNSA-N 1 3 315.461 2.846 20 30 DFEDHO CN(C)[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000365401330 429313385 /nfs/dbraw/zinc/31/33/85/429313385.db2.gz DDTBZNBAOFOLEK-KRWDZBQOSA-N 1 3 301.434 2.743 20 30 DFEDHO CN(C)[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000365401330 429313389 /nfs/dbraw/zinc/31/33/89/429313389.db2.gz DDTBZNBAOFOLEK-KRWDZBQOSA-N 1 3 301.434 2.743 20 30 DFEDHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000458237379 429607485 /nfs/dbraw/zinc/60/74/85/429607485.db2.gz ZABTVSVYOOBXKJ-ZWKOTPCHSA-N 1 3 313.445 2.607 20 30 DFEDHO C[N@H+]1CCC[C@@H](CCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000458237379 429607489 /nfs/dbraw/zinc/60/74/89/429607489.db2.gz ZABTVSVYOOBXKJ-ZWKOTPCHSA-N 1 3 313.445 2.607 20 30 DFEDHO CCc1nnc(NC[C@@H]2CCCCN2C2CC2)c(C#N)c1CC ZINC000562437492 430130700 /nfs/dbraw/zinc/13/07/00/430130700.db2.gz SKWAEFLGPOPWHO-AWEZNQCLSA-N 1 3 313.449 2.902 20 30 DFEDHO C=CCCCN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000571342908 430622009 /nfs/dbraw/zinc/62/20/09/430622009.db2.gz NINHZTNKMURHLN-UHFFFAOYSA-N 1 3 321.509 2.607 20 30 DFEDHO C=CCOCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000648509856 430809068 /nfs/dbraw/zinc/80/90/68/430809068.db2.gz GSIQKPZWWUGNID-QGZVFWFLSA-N 1 3 302.462 2.874 20 30 DFEDHO C=CC[C@@]1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CCC[NH2+]1 ZINC000662794263 431196210 /nfs/dbraw/zinc/19/62/10/431196210.db2.gz CUAAPSXIFHSURX-SFHVURJKSA-N 1 3 301.434 2.693 20 30 DFEDHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000067452641 288160161 /nfs/dbraw/zinc/16/01/61/288160161.db2.gz XDUXVCJCJOROMU-HZPDHXFCSA-N 1 3 301.434 2.537 20 30 DFEDHO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000565844292 302244874 /nfs/dbraw/zinc/24/48/74/302244874.db2.gz XTPZABZHHSTXAD-SOEBMCCKSA-N 1 3 314.433 2.503 20 30 DFEDHO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298108316 331635494 /nfs/dbraw/zinc/63/54/94/331635494.db2.gz NZDOAYFYXPPYDC-MAUKXSAKSA-N 1 3 301.434 2.621 20 30 DFEDHO CC(C)CNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000104180759 332244620 /nfs/dbraw/zinc/24/46/20/332244620.db2.gz JQYAZPNNKHZREE-AWEZNQCLSA-N 1 3 308.495 2.520 20 30 DFEDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000343545643 335171117 /nfs/dbraw/zinc/17/11/17/335171117.db2.gz YYZHZYDHYSMBIB-IBGZPJMESA-N 1 3 315.461 2.685 20 30 DFEDHO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414684272 334068487 /nfs/dbraw/zinc/06/84/87/334068487.db2.gz CYRLGOGFRWGYIE-GOEBONIOSA-N 1 3 303.406 2.971 20 30 DFEDHO C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N1CCC(C)CC1 ZINC000288729449 334162039 /nfs/dbraw/zinc/16/20/39/334162039.db2.gz NHEVSFJUJKPBSQ-GFCCVEGCSA-N 1 3 310.392 2.812 20 30 DFEDHO C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000126963611 334873515 /nfs/dbraw/zinc/87/35/15/334873515.db2.gz BMZKYGKPIBASQY-ZWKOTPCHSA-N 1 3 318.509 2.747 20 30 DFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345819645 335353315 /nfs/dbraw/zinc/35/33/15/335353315.db2.gz SBLCBHIJFBAIKT-XHSDSOJGSA-N 1 3 313.445 2.940 20 30 DFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345819645 335353317 /nfs/dbraw/zinc/35/33/17/335353317.db2.gz SBLCBHIJFBAIKT-XHSDSOJGSA-N 1 3 313.445 2.940 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331387310 336134643 /nfs/dbraw/zinc/13/46/43/336134643.db2.gz LAYOGWSWHUBPLY-OKZBNKHCSA-N 1 3 311.429 2.502 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331387310 336134645 /nfs/dbraw/zinc/13/46/45/336134645.db2.gz LAYOGWSWHUBPLY-OKZBNKHCSA-N 1 3 311.429 2.502 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000352331391 336212851 /nfs/dbraw/zinc/21/28/51/336212851.db2.gz POXYHDFUSYUCDB-APWZRJJASA-N 1 3 311.429 2.661 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000352331391 336212852 /nfs/dbraw/zinc/21/28/52/336212852.db2.gz POXYHDFUSYUCDB-APWZRJJASA-N 1 3 311.429 2.661 20 30 DFEDHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1 ZINC000376166050 337028796 /nfs/dbraw/zinc/02/87/96/337028796.db2.gz KRWYLEWXYLGLMV-MKXGPGLRSA-N 1 3 319.493 2.938 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123272250 337041802 /nfs/dbraw/zinc/04/18/02/337041802.db2.gz OBSMFGMEEZTMPN-QGZVFWFLSA-N 1 3 323.525 2.853 20 30 DFEDHO C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+]1CCCC1 ZINC000433315386 338191735 /nfs/dbraw/zinc/19/17/35/338191735.db2.gz YDSSIKPHTIFSLS-WMZOPIPTSA-N 1 3 313.445 2.607 20 30 DFEDHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365421 338193832 /nfs/dbraw/zinc/19/38/32/338193832.db2.gz PVUIPZOINLMGQV-ROUUACIJSA-N 1 3 313.445 2.559 20 30 DFEDHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365421 338193833 /nfs/dbraw/zinc/19/38/33/338193833.db2.gz PVUIPZOINLMGQV-ROUUACIJSA-N 1 3 313.445 2.559 20 30 DFEDHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433472755 338195449 /nfs/dbraw/zinc/19/54/49/338195449.db2.gz VBXJNTIVNNZBHN-KBAYOESNSA-N 1 3 313.445 2.558 20 30 DFEDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433472755 338195450 /nfs/dbraw/zinc/19/54/50/338195450.db2.gz VBXJNTIVNNZBHN-KBAYOESNSA-N 1 3 313.445 2.558 20 30 DFEDHO CCCCNC(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000081984158 398378009 /nfs/dbraw/zinc/37/80/09/398378009.db2.gz GWFBXZPNIPXLLM-HIFRSBDPSA-N 1 3 308.495 2.835 20 30 DFEDHO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038797 185279368 /nfs/dbraw/zinc/27/93/68/185279368.db2.gz ZXCWFUOWPVLYDO-CVEARBPZSA-N 1 3 317.477 2.668 20 30 DFEDHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000181774989 199351265 /nfs/dbraw/zinc/35/12/65/199351265.db2.gz JAZITIKUSUIVOL-DOTOQJQBSA-N 1 3 313.445 2.710 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786140 398674121 /nfs/dbraw/zinc/67/41/21/398674121.db2.gz BXYPZJZTNGMFGF-QGZVFWFLSA-N 1 3 323.525 2.852 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786140 398674126 /nfs/dbraw/zinc/67/41/26/398674126.db2.gz BXYPZJZTNGMFGF-QGZVFWFLSA-N 1 3 323.525 2.852 20 30 DFEDHO N#Cc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173950530 198272051 /nfs/dbraw/zinc/27/20/51/198272051.db2.gz ADVPCGQRHZDOFJ-UHFFFAOYSA-N 1 3 313.445 2.635 20 30 DFEDHO N#Cc1ccccc1N1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000372206051 283216406 /nfs/dbraw/zinc/21/64/06/283216406.db2.gz YQKAISDGUWPQFZ-GBESFXJTSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccccc1N1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000372206051 283216407 /nfs/dbraw/zinc/21/64/07/283216407.db2.gz YQKAISDGUWPQFZ-GBESFXJTSA-N 1 3 324.472 2.743 20 30 DFEDHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598716200 398860450 /nfs/dbraw/zinc/86/04/50/398860450.db2.gz ZYCYYOVFQSPTQW-SFHVURJKSA-N 1 3 317.477 2.919 20 30 DFEDHO N#Cc1ccc(CNCC2CC[NH+](CC3CC3)CC2)cc1F ZINC000595000363 398889362 /nfs/dbraw/zinc/88/93/62/398889362.db2.gz GJGHUSLQNCJTTM-UHFFFAOYSA-N 1 3 301.409 2.909 20 30 DFEDHO C#CCSCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000181096697 199252057 /nfs/dbraw/zinc/25/20/57/199252057.db2.gz KNHLIBGCBQGKBU-HNNXBMFYSA-N 1 3 306.475 2.644 20 30 DFEDHO Cc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1C#N ZINC000600711102 399120661 /nfs/dbraw/zinc/12/06/61/399120661.db2.gz QZLJLFRNQHWPDH-OALUTQOASA-N 1 3 313.445 2.585 20 30 DFEDHO Cc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1C#N ZINC000600711104 399120717 /nfs/dbraw/zinc/12/07/17/399120717.db2.gz QZLJLFRNQHWPDH-RBUKOAKNSA-N 1 3 313.445 2.585 20 30 DFEDHO N#CCc1cccc2c1CCN(Cc1cccc3c1CC[NH2+]C3)C2 ZINC000600748976 399133700 /nfs/dbraw/zinc/13/37/00/399133700.db2.gz GEYBZPYOVGNEHW-UHFFFAOYSA-N 1 3 317.436 2.957 20 30 DFEDHO C=CCC[C@@H](O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285469642 335026512 /nfs/dbraw/zinc/02/65/12/335026512.db2.gz HKGFKKIXWUKMEJ-WOJBJXKFSA-N 1 3 314.473 2.912 20 30 DFEDHO C=CCC[C@@H](O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285469642 335026513 /nfs/dbraw/zinc/02/65/13/335026513.db2.gz HKGFKKIXWUKMEJ-WOJBJXKFSA-N 1 3 314.473 2.912 20 30 DFEDHO CC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(C#N)cc1 ZINC000602021215 399385929 /nfs/dbraw/zinc/38/59/29/399385929.db2.gz OWOQTNJPDFRVPE-SFHVURJKSA-N 1 3 321.428 2.926 20 30 DFEDHO CC(C)[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602508444 399463167 /nfs/dbraw/zinc/46/31/67/399463167.db2.gz CCBHMARSVYUIBS-IRXDYDNUSA-N 1 3 307.482 2.795 20 30 DFEDHO CN(C)CCOc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602516089 399465643 /nfs/dbraw/zinc/46/56/43/399465643.db2.gz GMHPVYBIAPWPHW-UHFFFAOYSA-N 1 3 301.434 2.799 20 30 DFEDHO C=CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccco1 ZINC000287396320 335045688 /nfs/dbraw/zinc/04/56/88/335045688.db2.gz IWPXNJVRKVZQOU-MRXNPFEDSA-N 1 3 305.466 2.903 20 30 DFEDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544003 399471836 /nfs/dbraw/zinc/47/18/36/399471836.db2.gz GRKVKEFCCCTQEI-IRXDYDNUSA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544003 399471840 /nfs/dbraw/zinc/47/18/40/399471840.db2.gz GRKVKEFCCCTQEI-IRXDYDNUSA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544003 399471842 /nfs/dbraw/zinc/47/18/42/399471842.db2.gz GRKVKEFCCCTQEI-IRXDYDNUSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)C[NH+]1CCCC1 ZINC000602629872 399496179 /nfs/dbraw/zinc/49/61/79/399496179.db2.gz KLHUNQHQGMLJNM-MRXNPFEDSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000602629872 399496182 /nfs/dbraw/zinc/49/61/82/399496182.db2.gz KLHUNQHQGMLJNM-MRXNPFEDSA-N 1 3 307.482 2.797 20 30 DFEDHO CC#CCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000155487527 197059480 /nfs/dbraw/zinc/05/94/80/197059480.db2.gz HXLKOVYWMPMYPP-FQEVSTJZSA-N 1 3 314.473 2.777 20 30 DFEDHO CC#CCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000155487527 197059481 /nfs/dbraw/zinc/05/94/81/197059481.db2.gz HXLKOVYWMPMYPP-FQEVSTJZSA-N 1 3 314.473 2.777 20 30 DFEDHO COc1cc(C#N)ccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000120688886 195216634 /nfs/dbraw/zinc/21/66/34/195216634.db2.gz HWHVSFMSOUHIPK-UHFFFAOYSA-N 1 3 301.434 2.731 20 30 DFEDHO CN1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372421790 150170631 /nfs/dbraw/zinc/17/06/31/150170631.db2.gz XNVHLMMCOWSBEW-GOSISDBHSA-N 1 3 312.461 2.555 20 30 DFEDHO CN1CCC[C@@H]1CC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372421790 150170634 /nfs/dbraw/zinc/17/06/34/150170634.db2.gz XNVHLMMCOWSBEW-GOSISDBHSA-N 1 3 312.461 2.555 20 30 DFEDHO CN1CCC[C@H]1CC[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372421791 150170769 /nfs/dbraw/zinc/17/07/69/150170769.db2.gz XNVHLMMCOWSBEW-SFHVURJKSA-N 1 3 312.461 2.555 20 30 DFEDHO CN1CCC[C@H]1CC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372421791 150170771 /nfs/dbraw/zinc/17/07/71/150170771.db2.gz XNVHLMMCOWSBEW-SFHVURJKSA-N 1 3 312.461 2.555 20 30 DFEDHO C#CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290643698 335074230 /nfs/dbraw/zinc/07/42/30/335074230.db2.gz YPWMDUNDEINIGA-LPHOPBHVSA-N 1 3 300.446 2.861 20 30 DFEDHO C#CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290643698 335074231 /nfs/dbraw/zinc/07/42/31/335074231.db2.gz YPWMDUNDEINIGA-LPHOPBHVSA-N 1 3 300.446 2.861 20 30 DFEDHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000349661586 266115430 /nfs/dbraw/zinc/11/54/30/266115430.db2.gz GMVJDTGDPADRPJ-AWEZNQCLSA-N 1 3 307.413 2.706 20 30 DFEDHO CCNC(NC[C@@H]1CCCN(Cc2cccs2)C1)=[NH+]CC ZINC000161528255 426028322 /nfs/dbraw/zinc/02/83/22/426028322.db2.gz YDDMPBCEGTVVLI-AWEZNQCLSA-N 1 3 308.495 2.535 20 30 DFEDHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000290363384 426750001 /nfs/dbraw/zinc/75/00/01/426750001.db2.gz GXRFIWSVSRZXKR-QGZVFWFLSA-N 1 3 313.445 2.731 20 30 DFEDHO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276578391 427104982 /nfs/dbraw/zinc/10/49/82/427104982.db2.gz AQLNQALWJYKAJS-QFBILLFUSA-N 1 3 322.456 2.897 20 30 DFEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000276584468 427107049 /nfs/dbraw/zinc/10/70/49/427107049.db2.gz CHAOJYRFBRWUPH-JXFKEZNVSA-N 1 3 322.456 2.897 20 30 DFEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000276584468 427107058 /nfs/dbraw/zinc/10/70/58/427107058.db2.gz CHAOJYRFBRWUPH-JXFKEZNVSA-N 1 3 322.456 2.897 20 30 DFEDHO CC[NH+]=C(NCc1ccsc1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261959904 427347701 /nfs/dbraw/zinc/34/77/01/427347701.db2.gz JXHILACDXXRCLL-DZGCQCFKSA-N 1 3 308.495 2.532 20 30 DFEDHO C=C(C)CNC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262424945 427357876 /nfs/dbraw/zinc/35/78/76/427357876.db2.gz RANMHYCRUJTLJR-UKRRQHHQSA-N 1 3 306.479 2.611 20 30 DFEDHO CC(C)(C)NC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000264090747 427655812 /nfs/dbraw/zinc/65/58/12/427655812.db2.gz KXVDAPGOGNHTRP-CYBMUJFWSA-N 1 3 308.495 2.663 20 30 DFEDHO COCCN(C)CCCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000264124905 427662565 /nfs/dbraw/zinc/66/25/65/427662565.db2.gz VYZCUPIQYWSIGC-UHFFFAOYSA-N 1 3 306.454 2.505 20 30 DFEDHO C=CCCC[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000353322505 428485817 /nfs/dbraw/zinc/48/58/17/428485817.db2.gz CFIZZEOZSSHZDZ-HTUJPFKRSA-N 1 3 305.510 2.974 20 30 DFEDHO C=CCCC[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000353322505 428485822 /nfs/dbraw/zinc/48/58/22/428485822.db2.gz CFIZZEOZSSHZDZ-HTUJPFKRSA-N 1 3 305.510 2.974 20 30 DFEDHO CN(CCCCC(C)(C)C#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373038235 428513875 /nfs/dbraw/zinc/51/38/75/428513875.db2.gz ZWQSVDXUXAIJSE-GOSISDBHSA-N 1 3 320.525 2.807 20 30 DFEDHO CN(CCCCC(C)(C)C#N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373038235 428513881 /nfs/dbraw/zinc/51/38/81/428513881.db2.gz ZWQSVDXUXAIJSE-GOSISDBHSA-N 1 3 320.525 2.807 20 30 DFEDHO CN1CCC(N2CC[C@@H]([N@H+](C)CCCCC(C)(C)C#N)C2)CC1 ZINC000373038235 428513890 /nfs/dbraw/zinc/51/38/90/428513890.db2.gz ZWQSVDXUXAIJSE-GOSISDBHSA-N 1 3 320.525 2.807 20 30 DFEDHO CN1CCC(N2CC[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C2)CC1 ZINC000373038235 428513900 /nfs/dbraw/zinc/51/39/00/428513900.db2.gz ZWQSVDXUXAIJSE-GOSISDBHSA-N 1 3 320.525 2.807 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361711677 428589747 /nfs/dbraw/zinc/58/97/47/428589747.db2.gz LOCOPYDQRAIPPS-KBAYOESNSA-N 1 3 311.429 2.659 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361711677 428589749 /nfs/dbraw/zinc/58/97/49/428589749.db2.gz LOCOPYDQRAIPPS-KBAYOESNSA-N 1 3 311.429 2.659 20 30 DFEDHO C=CCOCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348315276 428705590 /nfs/dbraw/zinc/70/55/90/428705590.db2.gz ILLAVGPMOLPEFB-KDURUIRLSA-N 1 3 300.446 2.643 20 30 DFEDHO C=CCOCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348315276 428705592 /nfs/dbraw/zinc/70/55/92/428705592.db2.gz ILLAVGPMOLPEFB-KDURUIRLSA-N 1 3 300.446 2.643 20 30 DFEDHO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H]1CCCNC1 ZINC000423212613 429054819 /nfs/dbraw/zinc/05/48/19/429054819.db2.gz IQBKWGLNJDOBPX-RDJZCZTQSA-N 1 3 312.461 2.505 20 30 DFEDHO CN(C)CCOc1cnccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449327026 429387751 /nfs/dbraw/zinc/38/77/51/429387751.db2.gz BCPSPSMHCNSNEQ-UHFFFAOYSA-N 1 3 316.449 2.584 20 30 DFEDHO COc1cc(C#N)ccc1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366867253 429529679 /nfs/dbraw/zinc/52/96/79/429529679.db2.gz UWSBQFRVBCDIFZ-UHFFFAOYSA-N 1 3 313.445 2.875 20 30 DFEDHO C[N@H+](CCCSCC#N)CC1CCN(c2ccncc2)CC1 ZINC000367885378 429736334 /nfs/dbraw/zinc/73/63/34/429736334.db2.gz LDIKUDFBBWNRDS-UHFFFAOYSA-N 1 3 318.490 2.877 20 30 DFEDHO C[N@@H+](CCCSCC#N)CC1CCN(c2ccncc2)CC1 ZINC000367885378 429736339 /nfs/dbraw/zinc/73/63/39/429736339.db2.gz LDIKUDFBBWNRDS-UHFFFAOYSA-N 1 3 318.490 2.877 20 30 DFEDHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274209246 334057151 /nfs/dbraw/zinc/05/71/51/334057151.db2.gz NGIIQVDQGNZTBC-MSOLQXFVSA-N 1 3 315.461 2.841 20 30 DFEDHO CN(CC#Cc1ccccc1Cl)CCCN(C)CC[NH+](C)C ZINC000344027000 335210107 /nfs/dbraw/zinc/21/01/07/335210107.db2.gz KKZJYZSOQSWNDS-UHFFFAOYSA-N 1 3 321.896 2.507 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863444 335242889 /nfs/dbraw/zinc/24/28/89/335242889.db2.gz GQGAOCJCQFXJCN-QGZVFWFLSA-N 1 3 321.509 2.607 20 30 DFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345819643 335353342 /nfs/dbraw/zinc/35/33/42/335353342.db2.gz SBLCBHIJFBAIKT-OWCLPIDISA-N 1 3 313.445 2.940 20 30 DFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345819643 335353344 /nfs/dbraw/zinc/35/33/44/335353344.db2.gz SBLCBHIJFBAIKT-OWCLPIDISA-N 1 3 313.445 2.940 20 30 DFEDHO CSC[C@@H]1CCCN1CC#CC[N@@H+]1CCC[C@H]1CSC ZINC000351225971 336025331 /nfs/dbraw/zinc/02/53/31/336025331.db2.gz MCFXVWRNMGRRPO-HOTGVXAUSA-N 1 3 312.548 2.645 20 30 DFEDHO CSC[C@@H]1CCCN1CC#CC[N@H+]1CCC[C@H]1CSC ZINC000351225971 336025333 /nfs/dbraw/zinc/02/53/33/336025333.db2.gz MCFXVWRNMGRRPO-HOTGVXAUSA-N 1 3 312.548 2.645 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000352331394 336212845 /nfs/dbraw/zinc/21/28/45/336212845.db2.gz POXYHDFUSYUCDB-VQIMIIECSA-N 1 3 311.429 2.661 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000352331394 336212846 /nfs/dbraw/zinc/21/28/46/336212846.db2.gz POXYHDFUSYUCDB-VQIMIIECSA-N 1 3 311.429 2.661 20 30 DFEDHO CCN(CC)C(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304772141 337002955 /nfs/dbraw/zinc/00/29/55/337002955.db2.gz AMFDXUJTUUWIHY-UKRRQHHQSA-N 1 3 308.495 2.788 20 30 DFEDHO CCN1CCN(c2ccccc2C[NH2+]CC(C)(C)CC#N)CC1 ZINC000459659992 339041294 /nfs/dbraw/zinc/04/12/94/339041294.db2.gz APAIXMMIRVZLFQ-UHFFFAOYSA-N 1 3 314.477 2.858 20 30 DFEDHO C=CC(C)(C)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000581141030 398388388 /nfs/dbraw/zinc/38/83/88/398388388.db2.gz QPQZUOVSJBXYSF-UHFFFAOYSA-N 1 3 321.509 2.511 20 30 DFEDHO CN(C)CCC[N@H+](C)CCNc1cccc(C(F)F)c1C#N ZINC000596424256 398409206 /nfs/dbraw/zinc/40/92/06/398409206.db2.gz FAGFOBNNBRDRDV-UHFFFAOYSA-N 1 3 310.392 2.791 20 30 DFEDHO CN(C)CCC[N@@H+](C)CCNc1cccc(C(F)F)c1C#N ZINC000596424256 398409209 /nfs/dbraw/zinc/40/92/09/398409209.db2.gz FAGFOBNNBRDRDV-UHFFFAOYSA-N 1 3 310.392 2.791 20 30 DFEDHO Cc1c[nH+]ccc1NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593515354 398649922 /nfs/dbraw/zinc/64/99/22/398649922.db2.gz NBNKIKKQUFGDNL-UHFFFAOYSA-N 1 3 306.413 2.760 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)NCC12CCC[NH+]1CCC2 ZINC000597588594 398665337 /nfs/dbraw/zinc/66/53/37/398665337.db2.gz MHESCTQWANTZTK-QGZVFWFLSA-N 1 3 311.429 2.504 20 30 DFEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786301 398674312 /nfs/dbraw/zinc/67/43/12/398674312.db2.gz OEUVBHCDHGJKMZ-QGZVFWFLSA-N 1 3 321.509 2.628 20 30 DFEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786301 398674313 /nfs/dbraw/zinc/67/43/13/398674313.db2.gz OEUVBHCDHGJKMZ-QGZVFWFLSA-N 1 3 321.509 2.628 20 30 DFEDHO CC(C)C[N@H+](C)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000593754905 398682037 /nfs/dbraw/zinc/68/20/37/398682037.db2.gz SBQHHUQSNVFMAX-SFHVURJKSA-N 1 3 315.461 2.853 20 30 DFEDHO CC(C)C[N@@H+](C)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000593754905 398682041 /nfs/dbraw/zinc/68/20/41/398682041.db2.gz SBQHHUQSNVFMAX-SFHVURJKSA-N 1 3 315.461 2.853 20 30 DFEDHO COc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1C#N ZINC000174256775 198311345 /nfs/dbraw/zinc/31/13/45/198311345.db2.gz SFNFUCNTTJGOAX-UHFFFAOYSA-N 1 3 309.413 2.918 20 30 DFEDHO CCC[N@H+](C)CC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000598464838 398817051 /nfs/dbraw/zinc/81/70/51/398817051.db2.gz JGHSNPKSTGWXQH-QGZVFWFLSA-N 1 3 315.461 2.996 20 30 DFEDHO CCC[N@@H+](C)CC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000598464838 398817054 /nfs/dbraw/zinc/81/70/54/398817054.db2.gz JGHSNPKSTGWXQH-QGZVFWFLSA-N 1 3 315.461 2.996 20 30 DFEDHO N#Cc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000594953843 398880192 /nfs/dbraw/zinc/88/01/92/398880192.db2.gz IVVUCYMRYBNGDV-UHFFFAOYSA-N 1 3 319.474 2.600 20 30 DFEDHO C=CCOc1ccc(CNCC2=CC[N@H+](C)CC2)cc1OC ZINC000271932031 209334263 /nfs/dbraw/zinc/33/42/63/209334263.db2.gz WVGWUVRRRPDCLQ-UHFFFAOYSA-N 1 3 302.418 2.612 20 30 DFEDHO C=CCOc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271932031 209334264 /nfs/dbraw/zinc/33/42/64/209334264.db2.gz WVGWUVRRRPDCLQ-UHFFFAOYSA-N 1 3 302.418 2.612 20 30 DFEDHO Cc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1C#N ZINC000600711099 399120769 /nfs/dbraw/zinc/12/07/69/399120769.db2.gz QZLJLFRNQHWPDH-MOPGFXCFSA-N 1 3 313.445 2.585 20 30 DFEDHO C[C@H](CCNC[C@@H](O)CC1(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000600726690 399126853 /nfs/dbraw/zinc/12/68/53/399126853.db2.gz GSKONVXZGJCVSD-AEFFLSMTSA-N 1 3 315.461 2.541 20 30 DFEDHO C[C@H](CCNC[C@@H](O)CC1(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000600726690 399126857 /nfs/dbraw/zinc/12/68/57/399126857.db2.gz GSKONVXZGJCVSD-AEFFLSMTSA-N 1 3 315.461 2.541 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000602502185 399461651 /nfs/dbraw/zinc/46/16/51/399461651.db2.gz JFZLCFWXJGXONA-DLBZAZTESA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[N@H+]1CCCC[C@H]1C ZINC000602502185 399461654 /nfs/dbraw/zinc/46/16/54/399461654.db2.gz JFZLCFWXJGXONA-DLBZAZTESA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCCC[C@H]1C ZINC000602502185 399461656 /nfs/dbraw/zinc/46/16/56/399461656.db2.gz JFZLCFWXJGXONA-DLBZAZTESA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000611438565 399477026 /nfs/dbraw/zinc/47/70/26/399477026.db2.gz AIPTYASBMXSLQD-BEFAXECRSA-N 1 3 313.445 2.852 20 30 DFEDHO CC(C)CC[NH+]1CCC(CNCc2cccc(C#N)n2)CC1 ZINC000602565557 399477858 /nfs/dbraw/zinc/47/78/58/399477858.db2.gz SIDJGQYZOZVCHL-UHFFFAOYSA-N 1 3 300.450 2.801 20 30 DFEDHO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602581276 399482525 /nfs/dbraw/zinc/48/25/25/399482525.db2.gz JENWBGITKWDCAI-IAGOWNOFSA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602581276 399482526 /nfs/dbraw/zinc/48/25/26/399482526.db2.gz JENWBGITKWDCAI-IAGOWNOFSA-N 1 3 307.482 2.795 20 30 DFEDHO Cc1cc(CN2CCCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000602846838 399600544 /nfs/dbraw/zinc/60/05/44/399600544.db2.gz ICGJRMZPUNQHAY-UHFFFAOYSA-N 1 3 306.413 2.974 20 30 DFEDHO CC(C#N)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612357598 399631541 /nfs/dbraw/zinc/63/15/41/399631541.db2.gz ASERZAYOWIWUAZ-LAVFITLUSA-N 1 3 311.429 2.563 20 30 DFEDHO CC(C#N)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612357598 399631546 /nfs/dbraw/zinc/63/15/46/399631546.db2.gz ASERZAYOWIWUAZ-LAVFITLUSA-N 1 3 311.429 2.563 20 30 DFEDHO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290643700 335073999 /nfs/dbraw/zinc/07/39/99/335073999.db2.gz YPWMDUNDEINIGA-QFBILLFUSA-N 1 3 300.446 2.861 20 30 DFEDHO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290643700 335074000 /nfs/dbraw/zinc/07/40/00/335074000.db2.gz YPWMDUNDEINIGA-QFBILLFUSA-N 1 3 300.446 2.861 20 30 DFEDHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000067452786 425910618 /nfs/dbraw/zinc/91/06/18/425910618.db2.gz MXCWTLSECAJTKO-IYBDPMFKSA-N 1 3 301.434 2.537 20 30 DFEDHO C[C@]1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCNC1 ZINC000423335661 267902842 /nfs/dbraw/zinc/90/28/42/267902842.db2.gz JFIBSXMOSLGOEB-IBGZPJMESA-N 1 3 312.461 2.506 20 30 DFEDHO C=C(C)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105915668 425968720 /nfs/dbraw/zinc/96/87/20/425968720.db2.gz VWAIOPXQCQBDLC-IBGZPJMESA-N 1 3 302.462 2.940 20 30 DFEDHO C=C(C)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105915668 425968723 /nfs/dbraw/zinc/96/87/23/425968723.db2.gz VWAIOPXQCQBDLC-IBGZPJMESA-N 1 3 302.462 2.940 20 30 DFEDHO CN(C)C(=[NH+]C[C@]1(C)CCCN1Cc1ccccc1)N(C)C ZINC000162457049 426065489 /nfs/dbraw/zinc/06/54/89/426065489.db2.gz FAUNBENZVGMPCP-SFHVURJKSA-N 1 3 302.466 2.520 20 30 DFEDHO CN1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000178444479 426630847 /nfs/dbraw/zinc/63/08/47/426630847.db2.gz NCSPNNFRTZXBAB-GOSISDBHSA-N 1 3 312.461 2.555 20 30 DFEDHO CN1CCC[C@@H]1CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000178444479 426630851 /nfs/dbraw/zinc/63/08/51/426630851.db2.gz NCSPNNFRTZXBAB-GOSISDBHSA-N 1 3 312.461 2.555 20 30 DFEDHO CN(C(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1)C1CC1 ZINC000181481331 426953504 /nfs/dbraw/zinc/95/35/04/426953504.db2.gz DUTKUKRSBZWQNR-IUODEOHRSA-N 1 3 306.479 2.540 20 30 DFEDHO CN(C(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)C1CC1 ZINC000248372930 426993286 /nfs/dbraw/zinc/99/32/86/426993286.db2.gz DUTKUKRSBZWQNR-WFASDCNBSA-N 1 3 306.479 2.540 20 30 DFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000276584476 427106528 /nfs/dbraw/zinc/10/65/28/427106528.db2.gz CHAOJYRFBRWUPH-OXQOHEQNSA-N 1 3 322.456 2.897 20 30 DFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000276584476 427106533 /nfs/dbraw/zinc/10/65/33/427106533.db2.gz CHAOJYRFBRWUPH-OXQOHEQNSA-N 1 3 322.456 2.897 20 30 DFEDHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000269470448 427205925 /nfs/dbraw/zinc/20/59/25/427205925.db2.gz ZVNWGDUQEDXJJU-HUUCEWRRSA-N 1 3 319.424 2.676 20 30 DFEDHO C=CCC[C@@H](CC)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000271511662 427565903 /nfs/dbraw/zinc/56/59/03/427565903.db2.gz OUJPEGMHAPTTSL-GOSISDBHSA-N 1 3 317.477 2.812 20 30 DFEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000264108430 427657328 /nfs/dbraw/zinc/65/73/28/427657328.db2.gz QAEJEJSJJXMUPJ-CQSZACIVSA-N 1 3 304.438 2.542 20 30 DFEDHO C[N@@H+]1CCC[C@]2(CCN(CCCC3(C#N)CCOCC3)C2)C1 ZINC000339440553 427776306 /nfs/dbraw/zinc/77/63/06/427776306.db2.gz LKHJKMFBBKFWPT-SFHVURJKSA-N 1 3 305.466 2.505 20 30 DFEDHO C[N@H+]1CCC[C@]2(CCN(CCCC3(C#N)CCOCC3)C2)C1 ZINC000339440553 427776307 /nfs/dbraw/zinc/77/63/07/427776307.db2.gz LKHJKMFBBKFWPT-SFHVURJKSA-N 1 3 305.466 2.505 20 30 DFEDHO N#C[C@H]1CC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000349820676 427870611 /nfs/dbraw/zinc/87/06/11/427870611.db2.gz GQTFNIQYFRRLGM-ZWKOTPCHSA-N 1 3 313.445 2.943 20 30 DFEDHO N#C[C@@H]1CC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000349820673 427871620 /nfs/dbraw/zinc/87/16/20/427871620.db2.gz GQTFNIQYFRRLGM-QZTJIDSGSA-N 1 3 313.445 2.943 20 30 DFEDHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000349822717 427873592 /nfs/dbraw/zinc/87/35/92/427873592.db2.gz QPWGNDWPUWYLEJ-DLBZAZTESA-N 1 3 301.434 2.799 20 30 DFEDHO Cn1cc(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cc1C#N ZINC000365238489 429283941 /nfs/dbraw/zinc/28/39/41/429283941.db2.gz AABBOKMZMMTYRQ-MRXNPFEDSA-N 1 3 312.461 2.593 20 30 DFEDHO Cn1cc(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc1C#N ZINC000365238489 429283943 /nfs/dbraw/zinc/28/39/43/429283943.db2.gz AABBOKMZMMTYRQ-MRXNPFEDSA-N 1 3 312.461 2.593 20 30 DFEDHO Cn1cc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1C#N ZINC000365235273 429284165 /nfs/dbraw/zinc/28/41/65/429284165.db2.gz SSVDCHXVYOXSRD-UHFFFAOYSA-N 1 3 323.444 2.640 20 30 DFEDHO Cn1cc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1C#N ZINC000365235273 429284168 /nfs/dbraw/zinc/28/41/68/429284168.db2.gz SSVDCHXVYOXSRD-UHFFFAOYSA-N 1 3 323.444 2.640 20 30 DFEDHO C[N@H+](CCCCNC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000457176028 429420016 /nfs/dbraw/zinc/42/00/16/429420016.db2.gz YRYRFSDQVARTOC-KRWDZBQOSA-N 1 3 313.445 2.750 20 30 DFEDHO C[N@@H+](CCCCNC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000457176028 429420021 /nfs/dbraw/zinc/42/00/21/429420021.db2.gz YRYRFSDQVARTOC-KRWDZBQOSA-N 1 3 313.445 2.750 20 30 DFEDHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427868568 429475969 /nfs/dbraw/zinc/47/59/69/429475969.db2.gz QWTXVMMJFFRAPD-SJLPKXTDSA-N 1 3 315.461 2.996 20 30 DFEDHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427868568 429475970 /nfs/dbraw/zinc/47/59/70/429475970.db2.gz QWTXVMMJFFRAPD-SJLPKXTDSA-N 1 3 315.461 2.996 20 30 DFEDHO C[N@H+](Cc1ccc(C#N)cc1)C1CCN(C2CCOCC2)CC1 ZINC000368851388 429898756 /nfs/dbraw/zinc/89/87/56/429898756.db2.gz QBIVRQSNTGCDPI-UHFFFAOYSA-N 1 3 313.445 2.633 20 30 DFEDHO C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C2CCOCC2)CC1 ZINC000368851388 429898758 /nfs/dbraw/zinc/89/87/58/429898758.db2.gz QBIVRQSNTGCDPI-UHFFFAOYSA-N 1 3 313.445 2.633 20 30 DFEDHO N#CC1(CCC[N@@H+]2CC[C@H](CN3CCCC3)C2)CCOCC1 ZINC000369202073 429919539 /nfs/dbraw/zinc/91/95/39/429919539.db2.gz GGXMWLRUPZESCE-QGZVFWFLSA-N 1 3 305.466 2.505 20 30 DFEDHO N#CC1(CCC[N@H+]2CC[C@H](CN3CCCC3)C2)CCOCC1 ZINC000369202073 429919540 /nfs/dbraw/zinc/91/95/40/429919540.db2.gz GGXMWLRUPZESCE-QGZVFWFLSA-N 1 3 305.466 2.505 20 30 DFEDHO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658143461 430823978 /nfs/dbraw/zinc/82/39/78/430823978.db2.gz YKXMOGJBAUNWEL-BXWFABGCSA-N 1 3 302.462 2.944 20 30 DFEDHO C=CCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000661760717 430833423 /nfs/dbraw/zinc/83/34/23/430833423.db2.gz XTCKORDBJZREEK-QGZVFWFLSA-N 1 3 317.477 2.692 20 30 DFEDHO C=CCOCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000648509851 430809785 /nfs/dbraw/zinc/80/97/85/430809785.db2.gz GSIQKPZWWUGNID-KRWDZBQOSA-N 1 3 302.462 2.874 20 30 DFEDHO C=C(C)[C@H](CO)[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000649406908 431091240 /nfs/dbraw/zinc/09/12/40/431091240.db2.gz DLYBVGXWACJGSX-SFHVURJKSA-N 1 3 303.450 2.557 20 30 DFEDHO C=C(C)[C@H](CO)[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000649406908 431091243 /nfs/dbraw/zinc/09/12/43/431091243.db2.gz DLYBVGXWACJGSX-SFHVURJKSA-N 1 3 303.450 2.557 20 30 DFEDHO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCN1 ZINC000574630264 318029214 /nfs/dbraw/zinc/02/92/14/318029214.db2.gz NVLTXLOLRRXGTK-LTDKPHRXSA-N 1 3 313.445 2.978 20 30 DFEDHO C[C@H]1C[C@@H](N(C)Cc2ccc(N(C)CCC#N)cc2)CC[N@@H+]1C ZINC000093644636 332140970 /nfs/dbraw/zinc/14/09/70/332140970.db2.gz UKIKBNNEZXXEMI-LPHOPBHVSA-N 1 3 314.477 2.951 20 30 DFEDHO C[C@H]1C[C@@H](N(C)Cc2ccc(N(C)CCC#N)cc2)CC[N@H+]1C ZINC000093644636 332140971 /nfs/dbraw/zinc/14/09/71/332140971.db2.gz UKIKBNNEZXXEMI-LPHOPBHVSA-N 1 3 314.477 2.951 20 30 DFEDHO C=CCN1CC[C@H](N2CCC(CCC[NH+](CC)CC)CC2)C1=O ZINC000337203832 333442560 /nfs/dbraw/zinc/44/25/60/333442560.db2.gz ICJLVKLZFRRQRC-SFHVURJKSA-N 1 3 321.509 2.607 20 30 DFEDHO C[NH+]=C(NCc1sccc1C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262428579 333858504 /nfs/dbraw/zinc/85/85/04/333858504.db2.gz DIWLNENXQSXDPA-OAHLLOKOSA-N 1 3 320.506 2.692 20 30 DFEDHO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CN(C)C ZINC000291799330 334181950 /nfs/dbraw/zinc/18/19/50/334181950.db2.gz AOEDKJYJPDFJKE-SNVBAGLBSA-N 1 3 318.343 2.510 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863443 335242998 /nfs/dbraw/zinc/24/29/98/335242998.db2.gz GQGAOCJCQFXJCN-KRWDZBQOSA-N 1 3 321.509 2.607 20 30 DFEDHO CN(C)CCOCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000354188662 336462902 /nfs/dbraw/zinc/46/29/02/336462902.db2.gz MZYFQGPUVUEGKE-UHFFFAOYSA-N 1 3 315.461 2.558 20 30 DFEDHO C#Cc1ccc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000377650716 337057495 /nfs/dbraw/zinc/05/74/95/337057495.db2.gz NTNWHCTXHDRLSI-NSISKUIASA-N 1 3 312.457 2.647 20 30 DFEDHO C#Cc1ccc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000377650716 337057496 /nfs/dbraw/zinc/05/74/96/337057496.db2.gz NTNWHCTXHDRLSI-NSISKUIASA-N 1 3 312.457 2.647 20 30 DFEDHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185802517 337250437 /nfs/dbraw/zinc/25/04/37/337250437.db2.gz VEWOEJZBTDJJMP-NVXWUHKLSA-N 1 3 301.434 2.799 20 30 DFEDHO CN1CCC(C[NH2+][C@H]2CCC[C@@H](C#N)C2)(N2CCCCC2)CC1 ZINC000185845637 337251945 /nfs/dbraw/zinc/25/19/45/337251945.db2.gz BZCPLKCIAYRMSE-MSOLQXFVSA-N 1 3 318.509 2.609 20 30 DFEDHO C[NH+](C)CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000597175083 398582620 /nfs/dbraw/zinc/58/26/20/398582620.db2.gz VTJSYQSXBBKARJ-MRXNPFEDSA-N 1 3 301.434 2.753 20 30 DFEDHO N#Cc1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000590956468 398707998 /nfs/dbraw/zinc/70/79/98/398707998.db2.gz XXSFHXMIJGNPMY-UHFFFAOYSA-N 1 3 310.376 2.851 20 30 DFEDHO CC[NH+](CC)CCOC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000075007551 398780062 /nfs/dbraw/zinc/78/00/62/398780062.db2.gz JXCZRLCFPVAQRW-UHFFFAOYSA-N 1 3 315.461 2.881 20 30 DFEDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598716136 398860416 /nfs/dbraw/zinc/86/04/16/398860416.db2.gz XYXPKTJZIMMHIR-SFHVURJKSA-N 1 3 317.477 2.917 20 30 DFEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598716136 398860418 /nfs/dbraw/zinc/86/04/18/398860418.db2.gz XYXPKTJZIMMHIR-SFHVURJKSA-N 1 3 317.477 2.917 20 30 DFEDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594933049 398875130 /nfs/dbraw/zinc/87/51/30/398875130.db2.gz YOTXUGVUNZTOTE-SFHVURJKSA-N 1 3 315.461 2.688 20 30 DFEDHO N#Cc1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000595001625 398889342 /nfs/dbraw/zinc/88/93/42/398889342.db2.gz YSOLJHVFVMEAAE-UHFFFAOYSA-N 1 3 301.409 2.909 20 30 DFEDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599307887 398952513 /nfs/dbraw/zinc/95/25/13/398952513.db2.gz NTENRYRVWGSNKK-LJQANCHMSA-N 1 3 315.461 2.799 20 30 DFEDHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C#N ZINC000600707590 399120653 /nfs/dbraw/zinc/12/06/53/399120653.db2.gz BWSJDUYSHBZEOJ-IPMKNSEASA-N 1 3 313.445 2.728 20 30 DFEDHO C=C(C)CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285636721 335023865 /nfs/dbraw/zinc/02/38/65/335023865.db2.gz DATRNYIRZGTRMO-FQEVSTJZSA-N 1 3 313.489 2.845 20 30 DFEDHO C=C(C)CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285636721 335023867 /nfs/dbraw/zinc/02/38/67/335023867.db2.gz DATRNYIRZGTRMO-FQEVSTJZSA-N 1 3 313.489 2.845 20 30 DFEDHO C=C(C)CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285636723 335024065 /nfs/dbraw/zinc/02/40/65/335024065.db2.gz DATRNYIRZGTRMO-HXUWFJFHSA-N 1 3 313.489 2.845 20 30 DFEDHO C=C(C)CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285636723 335024066 /nfs/dbraw/zinc/02/40/66/335024066.db2.gz DATRNYIRZGTRMO-HXUWFJFHSA-N 1 3 313.489 2.845 20 30 DFEDHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000619720731 399382265 /nfs/dbraw/zinc/38/22/65/399382265.db2.gz RAHBYQPNPSOHLM-QGZVFWFLSA-N 1 3 314.477 2.625 20 30 DFEDHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(C#N)cc1 ZINC000602020098 399386249 /nfs/dbraw/zinc/38/62/49/399386249.db2.gz HYSVFHFOZPEQFG-CQSZACIVSA-N 1 3 307.401 2.536 20 30 DFEDHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(C#N)c1 ZINC000602023449 399386774 /nfs/dbraw/zinc/38/67/74/399386774.db2.gz XEKUYIAVIXMFKI-CQSZACIVSA-N 1 3 307.401 2.536 20 30 DFEDHO C[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000602516229 399465387 /nfs/dbraw/zinc/46/53/87/399465387.db2.gz WKDCOXZJKMQAFZ-IXDOHACOSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000602516229 399465389 /nfs/dbraw/zinc/46/53/89/399465389.db2.gz WKDCOXZJKMQAFZ-IXDOHACOSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000602516352 399466649 /nfs/dbraw/zinc/46/66/49/399466649.db2.gz ZMSNHZGROLQUAB-IXDOHACOSA-N 1 3 307.482 2.938 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000602516352 399466651 /nfs/dbraw/zinc/46/66/51/399466651.db2.gz ZMSNHZGROLQUAB-IXDOHACOSA-N 1 3 307.482 2.938 20 30 DFEDHO CN1CCC(C[NH2+]C2CCC(C#N)CC2)(N2CCCCC2)CC1 ZINC000602558016 399475008 /nfs/dbraw/zinc/47/50/08/399475008.db2.gz NMTRFZMCDLGOFT-UHFFFAOYSA-N 1 3 318.509 2.609 20 30 DFEDHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113991 196020615 /nfs/dbraw/zinc/02/06/15/196020615.db2.gz QIJPNKVLDVVOMH-MJGOQNOKSA-N 1 3 313.445 2.743 20 30 DFEDHO C[N@H+]1CCC[C@@H]2CN(CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113991 196020616 /nfs/dbraw/zinc/02/06/16/196020616.db2.gz QIJPNKVLDVVOMH-MJGOQNOKSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113991 196020617 /nfs/dbraw/zinc/02/06/17/196020617.db2.gz QIJPNKVLDVVOMH-MJGOQNOKSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113991 196020618 /nfs/dbraw/zinc/02/06/18/196020618.db2.gz QIJPNKVLDVVOMH-MJGOQNOKSA-N 1 3 313.445 2.743 20 30 DFEDHO C#Cc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000290407665 335073292 /nfs/dbraw/zinc/07/32/92/335073292.db2.gz PZBGEGKNQIJTPD-PMACEKPBSA-N 1 3 312.457 2.525 20 30 DFEDHO COCC#CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000677819582 544547220 /nfs/dbraw/zinc/54/72/20/544547220.db2.gz BIUUBSSQJQALRU-UHFFFAOYSA-N 1 3 312.457 2.624 20 30 DFEDHO COCC#CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000677819582 544547222 /nfs/dbraw/zinc/54/72/22/544547222.db2.gz BIUUBSSQJQALRU-UHFFFAOYSA-N 1 3 312.457 2.624 20 30 DFEDHO C=C(C)COc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1OC ZINC000291785590 335085652 /nfs/dbraw/zinc/08/56/52/335085652.db2.gz VKGOYBJTWFKAAR-OAHLLOKOSA-N 1 3 306.450 2.937 20 30 DFEDHO CN1CCC[C@H]1CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528779572 267338251 /nfs/dbraw/zinc/33/82/51/267338251.db2.gz VVKBGMLKUAHCBC-SFHVURJKSA-N 1 3 313.445 2.638 20 30 DFEDHO C[NH+](C)CCCC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000123208563 426419388 /nfs/dbraw/zinc/41/93/88/426419388.db2.gz XPLDCXHXYXQITO-UHFFFAOYSA-N 1 3 315.461 2.991 20 30 DFEDHO Cn1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1C#N ZINC000190948599 427211942 /nfs/dbraw/zinc/21/19/42/427211942.db2.gz WQETZEPKFGDQLG-GOSISDBHSA-N 1 3 322.456 2.551 20 30 DFEDHO COc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1C#N ZINC000269714885 427258527 /nfs/dbraw/zinc/25/85/27/427258527.db2.gz RKCFZTHRCCDLHZ-UHFFFAOYSA-N 1 3 301.434 2.871 20 30 DFEDHO COc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1C#N ZINC000269714885 427258533 /nfs/dbraw/zinc/25/85/33/427258533.db2.gz RKCFZTHRCCDLHZ-UHFFFAOYSA-N 1 3 301.434 2.871 20 30 DFEDHO C=CCN(CC=C)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)C(C)C ZINC000270964979 427367395 /nfs/dbraw/zinc/36/73/95/427367395.db2.gz HVUSAPYSUIDHCD-SFHVURJKSA-N 1 3 321.509 2.581 20 30 DFEDHO CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000264114757 427660344 /nfs/dbraw/zinc/66/03/44/427660344.db2.gz SBEWWCKSOPRCFH-ZIAGYGMSSA-N 1 3 308.495 2.663 20 30 DFEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000356835852 428331627 /nfs/dbraw/zinc/33/16/27/428331627.db2.gz CRCXMGXBZYZUIB-ZGXWSNOMSA-N 1 3 314.473 2.671 20 30 DFEDHO CC(C#N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000357819604 428566091 /nfs/dbraw/zinc/56/60/91/428566091.db2.gz DWTGRIMOHVSMQI-BZUAXINKSA-N 1 3 313.445 2.940 20 30 DFEDHO CCNC(NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1)=[NH+]CC ZINC000363588679 428948196 /nfs/dbraw/zinc/94/81/96/428948196.db2.gz PAKBYVARXDIQTL-GOEBONIOSA-N 1 3 322.884 2.908 20 30 DFEDHO N#CCCC[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000424132945 429095698 /nfs/dbraw/zinc/09/56/98/429095698.db2.gz LJBKMBXJUWKYPM-QGZVFWFLSA-N 1 3 314.433 2.632 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000424293854 429121506 /nfs/dbraw/zinc/12/15/06/429121506.db2.gz JQLKXIDSCDJCER-AYBZRNKSSA-N 1 3 318.461 2.869 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000424298913 429122962 /nfs/dbraw/zinc/12/29/62/429122962.db2.gz UMEDNCDJPRIRSW-AYBZRNKSSA-N 1 3 318.461 2.869 20 30 DFEDHO C=CCOc1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442927610 429241413 /nfs/dbraw/zinc/24/14/13/429241413.db2.gz OHRWDRSZONHSBT-OAHLLOKOSA-N 1 3 304.434 2.821 20 30 DFEDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000369344065 429926005 /nfs/dbraw/zinc/92/60/05/429926005.db2.gz PETZALZWNAWRGJ-ATZDWAIDSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000369344065 429926008 /nfs/dbraw/zinc/92/60/08/429926008.db2.gz PETZALZWNAWRGJ-ATZDWAIDSA-N 1 3 313.445 2.537 20 30 DFEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCCC(C)(C)C#N ZINC000369350894 429927653 /nfs/dbraw/zinc/92/76/53/429927653.db2.gz XSEHAJOVHKZSBQ-IKGGRYGDSA-N 1 3 307.482 2.890 20 30 DFEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCCC(C)(C)C#N ZINC000369350895 429927735 /nfs/dbraw/zinc/92/77/35/429927735.db2.gz XSEHAJOVHKZSBQ-IXDOHACOSA-N 1 3 307.482 2.890 20 30 DFEDHO C=C(C)[C@H](CO)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603520 431191091 /nfs/dbraw/zinc/19/10/91/431191091.db2.gz RDBHAUDNTPUACO-WBVHZDCISA-N 1 3 308.491 2.747 20 30 DFEDHO C=C(C)[C@H](CO)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603520 431191097 /nfs/dbraw/zinc/19/10/97/431191097.db2.gz RDBHAUDNTPUACO-WBVHZDCISA-N 1 3 308.491 2.747 20 30 DFEDHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000282154220 280187807 /nfs/dbraw/zinc/18/78/07/280187807.db2.gz CXEBKUFWVDZEQQ-GOSISDBHSA-N 1 3 314.477 2.625 20 30 DFEDHO N#Cc1ccc(N2CCC[C@H](N[C@H]3CCC[C@H]([NH3+])C3)C2)c(F)c1 ZINC000564667474 302149221 /nfs/dbraw/zinc/14/92/21/302149221.db2.gz LEZBXQHXOBLDBB-JYJNAYRXSA-N 1 3 316.424 2.526 20 30 DFEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H](N)C3)C2)c(F)c1 ZINC000564667474 302149224 /nfs/dbraw/zinc/14/92/24/302149224.db2.gz LEZBXQHXOBLDBB-JYJNAYRXSA-N 1 3 316.424 2.526 20 30 DFEDHO C=CCOCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000378539992 333039712 /nfs/dbraw/zinc/03/97/12/333039712.db2.gz BKMSUURPTAEBIX-GUDVDZBRSA-N 1 3 300.446 2.689 20 30 DFEDHO C=CCOCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000378539992 333039714 /nfs/dbraw/zinc/03/97/14/333039714.db2.gz BKMSUURPTAEBIX-GUDVDZBRSA-N 1 3 300.446 2.689 20 30 DFEDHO C=CCOCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000378539992 333039715 /nfs/dbraw/zinc/03/97/15/333039715.db2.gz BKMSUURPTAEBIX-GUDVDZBRSA-N 1 3 300.446 2.689 20 30 DFEDHO C[NH+](C)CCOc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185784487 333214160 /nfs/dbraw/zinc/21/41/60/333214160.db2.gz LMYIDXFMDMJILD-RDJZCZTQSA-N 1 3 301.434 2.799 20 30 DFEDHO CC(CCN[C@@H]1CCC[C@@H]1C#N)CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000411726120 333703670 /nfs/dbraw/zinc/70/36/70/333703670.db2.gz XMHRUDWXIYOTOC-BRSBDYLESA-N 1 3 302.466 2.966 20 30 DFEDHO Cc1ccc(NC(=[NH2+])NCCCN2CCCO[C@H](C)C2)cc1C ZINC000277277986 334087535 /nfs/dbraw/zinc/08/75/35/334087535.db2.gz JWSVRLSSBMCTAC-MRXNPFEDSA-N 1 3 318.465 2.531 20 30 DFEDHO C=CCOc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414796307 334099642 /nfs/dbraw/zinc/09/96/42/334099642.db2.gz HLQWYWUJMZAISU-HOTGVXAUSA-N 1 3 304.434 2.867 20 30 DFEDHO C[C@H](CCC#N)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351272629 336025147 /nfs/dbraw/zinc/02/51/47/336025147.db2.gz VKXWCSNJJSNQJP-ZACQAIPSSA-N 1 3 307.482 2.890 20 30 DFEDHO C[C@@H]1CN(CCC2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000177507582 337156357 /nfs/dbraw/zinc/15/63/57/337156357.db2.gz LZBPKFCNAYGLLP-CALCHBBNSA-N 1 3 307.482 2.892 20 30 DFEDHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000278645772 214300053 /nfs/dbraw/zinc/30/00/53/214300053.db2.gz SMHVLGDYAJQXHL-HZPDHXFCSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000278645772 214300055 /nfs/dbraw/zinc/30/00/55/214300055.db2.gz SMHVLGDYAJQXHL-HZPDHXFCSA-N 1 3 301.434 2.710 20 30 DFEDHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181493096 199305792 /nfs/dbraw/zinc/30/57/92/199305792.db2.gz HWMISXZBUQCLSI-QGZVFWFLSA-N 1 3 314.477 2.627 20 30 DFEDHO COc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC000592433633 398425638 /nfs/dbraw/zinc/42/56/38/398425638.db2.gz MQKXXHCIRAUAFF-QZTJIDSGSA-N 1 3 313.445 2.778 20 30 DFEDHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000181774969 199350632 /nfs/dbraw/zinc/35/06/32/199350632.db2.gz JAZITIKUSUIVOL-WBVHZDCISA-N 1 3 313.445 2.710 20 30 DFEDHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000181775308 199350642 /nfs/dbraw/zinc/35/06/42/199350642.db2.gz DKNACXOQAXRCPK-WBVHZDCISA-N 1 3 313.445 2.710 20 30 DFEDHO C=CCc1cc(C[N@H+](C)CC2CCN(C)CC2)cc(OC)c1O ZINC000093088863 193201772 /nfs/dbraw/zinc/20/17/72/193201772.db2.gz AGBXDTRZLDHAFZ-UHFFFAOYSA-N 1 3 318.461 2.903 20 30 DFEDHO C=CCc1cc(C[N@@H+](C)CC2CCN(C)CC2)cc(OC)c1O ZINC000093088863 193201774 /nfs/dbraw/zinc/20/17/74/193201774.db2.gz AGBXDTRZLDHAFZ-UHFFFAOYSA-N 1 3 318.461 2.903 20 30 DFEDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600717962 399123332 /nfs/dbraw/zinc/12/33/32/399123332.db2.gz UJGGSZHFDFFJGS-SFHVURJKSA-N 1 3 315.461 2.671 20 30 DFEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600717962 399123333 /nfs/dbraw/zinc/12/33/33/399123333.db2.gz UJGGSZHFDFFJGS-SFHVURJKSA-N 1 3 315.461 2.671 20 30 DFEDHO C=CCC[C@@H](O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285469638 335026473 /nfs/dbraw/zinc/02/64/73/335026473.db2.gz HKGFKKIXWUKMEJ-UXHICEINSA-N 1 3 314.473 2.912 20 30 DFEDHO C=CCC[C@@H](O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285469638 335026475 /nfs/dbraw/zinc/02/64/75/335026475.db2.gz HKGFKKIXWUKMEJ-UXHICEINSA-N 1 3 314.473 2.912 20 30 DFEDHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCN(CC#N)CC3)CC2)C1 ZINC000610814024 399409508 /nfs/dbraw/zinc/40/95/08/399409508.db2.gz YYPNLNZQEJLBFP-LPHOPBHVSA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@H]1CCC[C@H]([NH+]2CCC(NC3CCN(CC#N)CC3)CC2)C1 ZINC000610814024 399409511 /nfs/dbraw/zinc/40/95/11/399409511.db2.gz YYPNLNZQEJLBFP-LPHOPBHVSA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000602516228 399465848 /nfs/dbraw/zinc/46/58/48/399465848.db2.gz WKDCOXZJKMQAFZ-IKGGRYGDSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000602516228 399465849 /nfs/dbraw/zinc/46/58/49/399465849.db2.gz WKDCOXZJKMQAFZ-IKGGRYGDSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000602606466 399488451 /nfs/dbraw/zinc/48/84/51/399488451.db2.gz FCEOCBJKTAWJIH-IAGOWNOFSA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000602606466 399488454 /nfs/dbraw/zinc/48/84/54/399488454.db2.gz FCEOCBJKTAWJIH-IAGOWNOFSA-N 1 3 307.482 2.939 20 30 DFEDHO CC(C#N)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612357597 399632015 /nfs/dbraw/zinc/63/20/15/399632015.db2.gz ASERZAYOWIWUAZ-BZZMCLGOSA-N 1 3 311.429 2.563 20 30 DFEDHO CC(C#N)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612357597 399632021 /nfs/dbraw/zinc/63/20/21/399632021.db2.gz ASERZAYOWIWUAZ-BZZMCLGOSA-N 1 3 311.429 2.563 20 30 DFEDHO C=CCC[C@H](O)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000289391020 335063148 /nfs/dbraw/zinc/06/31/48/335063148.db2.gz QYWWRRDBEBSGFR-INIZCTEOSA-N 1 3 311.429 2.684 20 30 DFEDHO CCCN1CCC([N@H+](C)Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442808098 267017414 /nfs/dbraw/zinc/01/74/14/267017414.db2.gz GLAUBCIIXIOKQP-UHFFFAOYSA-N 1 3 301.434 2.873 20 30 DFEDHO CCCN1CCC([N@@H+](C)Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442808098 267017416 /nfs/dbraw/zinc/01/74/16/267017416.db2.gz GLAUBCIIXIOKQP-UHFFFAOYSA-N 1 3 301.434 2.873 20 30 DFEDHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)CN1CCCC1 ZINC000171141908 426172271 /nfs/dbraw/zinc/17/22/71/426172271.db2.gz CHTSEAJWLRMTHL-HOTGVXAUSA-N 1 3 301.434 2.971 20 30 DFEDHO [NH2+]=C(NC[C@H]1CCN(Cc2ccccc2)C1)NC1CCCCC1 ZINC000195290873 426511877 /nfs/dbraw/zinc/51/18/77/426511877.db2.gz OWQOVIAXMMAPQU-QGZVFWFLSA-N 1 3 314.477 2.746 20 30 DFEDHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000282154226 426841765 /nfs/dbraw/zinc/84/17/65/426841765.db2.gz CXEBKUFWVDZEQQ-SFHVURJKSA-N 1 3 314.477 2.625 20 30 DFEDHO CN(C(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1)C1CC1 ZINC000181481347 426954030 /nfs/dbraw/zinc/95/40/30/426954030.db2.gz DUTKUKRSBZWQNR-SWLSCSKDSA-N 1 3 306.479 2.540 20 30 DFEDHO [NH2+]=C(NC[C@H]1CCCN(Cc2cccs2)C1)NC1CCCC1 ZINC000261890497 427343298 /nfs/dbraw/zinc/34/32/98/427343298.db2.gz SZAHIXLXPAWLGN-CQSZACIVSA-N 1 3 320.506 2.807 20 30 DFEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCOCCC#N)CC1 ZINC000339026175 427633461 /nfs/dbraw/zinc/63/34/61/427633461.db2.gz WMIVUHTZWRQARG-QGZVFWFLSA-N 1 3 307.482 2.893 20 30 DFEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCOCCC#N)CC1 ZINC000339026175 427633467 /nfs/dbraw/zinc/63/34/67/427633467.db2.gz WMIVUHTZWRQARG-QGZVFWFLSA-N 1 3 307.482 2.893 20 30 DFEDHO [NH2+]=C(NCC1CCN(Cc2cccs2)CC1)N1CCCCC1 ZINC000303886678 427907228 /nfs/dbraw/zinc/90/72/28/427907228.db2.gz NVXXTBSEEVTRGO-UHFFFAOYSA-N 1 3 320.506 2.761 20 30 DFEDHO C=CCc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1O ZINC000346848872 428345023 /nfs/dbraw/zinc/34/50/23/428345023.db2.gz OODQDXDCXRIROC-GVDBMIGSSA-N 1 3 316.445 2.689 20 30 DFEDHO N#Cc1ccccc1N1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000372206054 428422837 /nfs/dbraw/zinc/42/28/37/428422837.db2.gz YQKAISDGUWPQFZ-QYZOEREBSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccccc1N1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000372206054 428422844 /nfs/dbraw/zinc/42/28/44/428422844.db2.gz YQKAISDGUWPQFZ-QYZOEREBSA-N 1 3 324.472 2.743 20 30 DFEDHO C=C(C)CNC(=[NH2+])NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000361805400 428597907 /nfs/dbraw/zinc/59/79/07/428597907.db2.gz ZSHXJYVGBPEQTF-QGZVFWFLSA-N 1 3 300.450 2.589 20 30 DFEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)C1 ZINC000362032973 428610767 /nfs/dbraw/zinc/61/07/67/428610767.db2.gz RFZVCBOXKLEPRD-SPOLIRPYSA-N 1 3 319.493 2.936 20 30 DFEDHO C=CCNC(=O)[C@H](C)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358743066 428653849 /nfs/dbraw/zinc/65/38/49/428653849.db2.gz KAMBQAOWYFMGRO-KRWDZBQOSA-N 1 3 323.525 2.757 20 30 DFEDHO C=CCNC(=O)[C@H](C)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358743066 428653854 /nfs/dbraw/zinc/65/38/54/428653854.db2.gz KAMBQAOWYFMGRO-KRWDZBQOSA-N 1 3 323.525 2.757 20 30 DFEDHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCCC1(C#N)CCOCC1 ZINC000374155799 428665575 /nfs/dbraw/zinc/66/55/75/428665575.db2.gz CWEAKLUCQPALTO-SJORKVTESA-N 1 3 305.466 2.646 20 30 DFEDHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCCC1(C#N)CCOCC1 ZINC000374155799 428665578 /nfs/dbraw/zinc/66/55/78/428665578.db2.gz CWEAKLUCQPALTO-SJORKVTESA-N 1 3 305.466 2.646 20 30 DFEDHO C[C@H](N)C[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422984702 429054232 /nfs/dbraw/zinc/05/42/32/429054232.db2.gz BHCDJFOXWZJASI-JCAIJIATSA-N 1 3 301.434 2.964 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000423268905 429055628 /nfs/dbraw/zinc/05/56/28/429055628.db2.gz FFEBWNRDLUACQW-QFBILLFUSA-N 1 3 312.461 2.634 20 30 DFEDHO CC(C)(C[NH+]1CCCC1)NC(=O)C(C#N)CCc1ccccc1 ZINC000457057199 429388456 /nfs/dbraw/zinc/38/84/56/429388456.db2.gz UWKAZFLMTRTTGW-KRWDZBQOSA-N 1 3 313.445 2.750 20 30 DFEDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000369344066 429925880 /nfs/dbraw/zinc/92/58/80/429925880.db2.gz PETZALZWNAWRGJ-AYOQOUSVSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000369344066 429925881 /nfs/dbraw/zinc/92/58/81/429925881.db2.gz PETZALZWNAWRGJ-AYOQOUSVSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCN1 ZINC000574630256 318029336 /nfs/dbraw/zinc/02/93/36/318029336.db2.gz NVLTXLOLRRXGTK-KUQKPQIMSA-N 1 3 313.445 2.978 20 30 DFEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000175007738 333093593 /nfs/dbraw/zinc/09/35/93/333093593.db2.gz SORWFPAGJHFMLB-MJGOQNOKSA-N 1 3 314.477 2.999 20 30 DFEDHO C=CCC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000305092839 337013213 /nfs/dbraw/zinc/01/32/13/337013213.db2.gz QODDWJWLUIDSIG-LMMKCTJWSA-N 1 3 324.509 2.525 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000433154596 338183412 /nfs/dbraw/zinc/18/34/12/338183412.db2.gz BEOVPXWQNUDAOM-SFHVURJKSA-N 1 3 313.445 2.751 20 30 DFEDHO COc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC000592433634 398425756 /nfs/dbraw/zinc/42/57/56/398425756.db2.gz MQKXXHCIRAUAFF-ROUUACIJSA-N 1 3 313.445 2.778 20 30 DFEDHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000181775326 199350842 /nfs/dbraw/zinc/35/08/42/199350842.db2.gz DKNACXOQAXRCPK-DOTOQJQBSA-N 1 3 313.445 2.710 20 30 DFEDHO C=CCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370356647 398654111 /nfs/dbraw/zinc/65/41/11/398654111.db2.gz CTYFROHINQNBMH-YQQQUEKLSA-N 1 3 300.446 2.974 20 30 DFEDHO C=CCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370356647 398654113 /nfs/dbraw/zinc/65/41/13/398654113.db2.gz CTYFROHINQNBMH-YQQQUEKLSA-N 1 3 300.446 2.974 20 30 DFEDHO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000598612412 398841488 /nfs/dbraw/zinc/84/14/88/398841488.db2.gz OZCUCSPCBYDGDX-YQQAZPJKSA-N 1 3 307.482 2.530 20 30 DFEDHO C[C@H](NC[C@H](O)CC(C)(C)C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000598612412 398841490 /nfs/dbraw/zinc/84/14/90/398841490.db2.gz OZCUCSPCBYDGDX-YQQAZPJKSA-N 1 3 307.482 2.530 20 30 DFEDHO C[C@H](NC[C@H](O)CC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000598612412 398841491 /nfs/dbraw/zinc/84/14/91/398841491.db2.gz OZCUCSPCBYDGDX-YQQAZPJKSA-N 1 3 307.482 2.530 20 30 DFEDHO C#CCSCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000181096715 199252031 /nfs/dbraw/zinc/25/20/31/199252031.db2.gz KNHLIBGCBQGKBU-OAHLLOKOSA-N 1 3 306.475 2.644 20 30 DFEDHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000305818977 299289248 /nfs/dbraw/zinc/28/92/48/299289248.db2.gz NSVKPZRQHAXOPL-GOEBONIOSA-N 1 3 319.424 2.585 20 30 DFEDHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000305818977 299289244 /nfs/dbraw/zinc/28/92/44/299289244.db2.gz NSVKPZRQHAXOPL-GOEBONIOSA-N 1 3 319.424 2.585 20 30 DFEDHO C#CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000283354632 335003862 /nfs/dbraw/zinc/00/38/62/335003862.db2.gz RGRVUEJZJOFGLX-FQEVSTJZSA-N 1 3 313.489 2.757 20 30 DFEDHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1C#N ZINC000600707589 399119936 /nfs/dbraw/zinc/11/99/36/399119936.db2.gz BWSJDUYSHBZEOJ-GUDVDZBRSA-N 1 3 313.445 2.728 20 30 DFEDHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C#N ZINC000600711065 399120794 /nfs/dbraw/zinc/12/07/94/399120794.db2.gz QRRRKFNYUQZBGR-WDSOQIARSA-N 1 3 313.445 2.585 20 30 DFEDHO C=CCC[C@H](O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285469640 335026397 /nfs/dbraw/zinc/02/63/97/335026397.db2.gz HKGFKKIXWUKMEJ-VQTJNVASSA-N 1 3 314.473 2.912 20 30 DFEDHO C=CCC[C@H](O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285469640 335026399 /nfs/dbraw/zinc/02/63/99/335026399.db2.gz HKGFKKIXWUKMEJ-VQTJNVASSA-N 1 3 314.473 2.912 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000602516350 399465545 /nfs/dbraw/zinc/46/55/45/399465545.db2.gz ZMSNHZGROLQUAB-BRWVUGGUSA-N 1 3 307.482 2.938 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000602516350 399465548 /nfs/dbraw/zinc/46/55/48/399465548.db2.gz ZMSNHZGROLQUAB-BRWVUGGUSA-N 1 3 307.482 2.938 20 30 DFEDHO CC(C)(O)CN1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000602579595 399481599 /nfs/dbraw/zinc/48/15/99/399481599.db2.gz BLAONTIGXMZLHR-GOSISDBHSA-N 1 3 315.461 2.856 20 30 DFEDHO C[NH+](C)CCOc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000611623148 399500108 /nfs/dbraw/zinc/50/01/08/399500108.db2.gz XEYZPFKKIZRAMT-UHFFFAOYSA-N 1 3 301.434 2.753 20 30 DFEDHO C#C[C@@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000289316202 335061588 /nfs/dbraw/zinc/06/15/88/335061588.db2.gz FHIAXOWFVSPXMZ-LJQANCHMSA-N 1 3 313.489 2.964 20 30 DFEDHO N#CCC[C@@H](C#N)CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000604436842 399846815 /nfs/dbraw/zinc/84/68/15/399846815.db2.gz FJCUYARCGOUIFM-IBGZPJMESA-N 1 3 310.445 2.932 20 30 DFEDHO C=CCN(CC=C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000339072250 543140186 /nfs/dbraw/zinc/14/01/86/543140186.db2.gz VICIPBXDMHKHIE-GBESFXJTSA-N 1 3 305.510 2.901 20 30 DFEDHO C=CCN(CC=C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000339072250 543140189 /nfs/dbraw/zinc/14/01/89/543140189.db2.gz VICIPBXDMHKHIE-GBESFXJTSA-N 1 3 305.510 2.901 20 30 DFEDHO C#CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290643696 335074263 /nfs/dbraw/zinc/07/42/63/335074263.db2.gz YPWMDUNDEINIGA-APWZRJJASA-N 1 3 300.446 2.861 20 30 DFEDHO C#CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290643696 335074264 /nfs/dbraw/zinc/07/42/64/335074264.db2.gz YPWMDUNDEINIGA-APWZRJJASA-N 1 3 300.446 2.861 20 30 DFEDHO CN1CC[C@H](C[N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000120984479 426317376 /nfs/dbraw/zinc/31/73/76/426317376.db2.gz HQWLXCJITMPQOH-KRWDZBQOSA-N 1 3 301.434 2.753 20 30 DFEDHO CN1CC[C@H](C[N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000120984479 426317380 /nfs/dbraw/zinc/31/73/80/426317380.db2.gz HQWLXCJITMPQOH-KRWDZBQOSA-N 1 3 301.434 2.753 20 30 DFEDHO COc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000290663708 426814807 /nfs/dbraw/zinc/81/48/07/426814807.db2.gz ZVNXORUTKXXVRH-SFHVURJKSA-N 1 3 313.445 2.731 20 30 DFEDHO CN(C)[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000277323650 427163863 /nfs/dbraw/zinc/16/38/63/427163863.db2.gz VDYRQESVHCISDA-KRWDZBQOSA-N 1 3 301.434 2.743 20 30 DFEDHO CN(C)[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000277323650 427163870 /nfs/dbraw/zinc/16/38/70/427163870.db2.gz VDYRQESVHCISDA-KRWDZBQOSA-N 1 3 301.434 2.743 20 30 DFEDHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cc(C#N)n(C)c2)C1 ZINC000190773517 427177446 /nfs/dbraw/zinc/17/74/46/427177446.db2.gz WYTMNYHGQIBOMW-HOTGVXAUSA-N 1 3 302.466 2.744 20 30 DFEDHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(C#N)cc1 ZINC000278735776 427448432 /nfs/dbraw/zinc/44/84/32/427448432.db2.gz NCBBEXMREXOJDR-LJQANCHMSA-N 1 3 314.477 2.627 20 30 DFEDHO N#C[C@@H]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000349820672 427871788 /nfs/dbraw/zinc/87/17/88/427871788.db2.gz GQTFNIQYFRRLGM-MSOLQXFVSA-N 1 3 313.445 2.943 20 30 DFEDHO C=CCOc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000346692510 428276143 /nfs/dbraw/zinc/27/61/43/428276143.db2.gz ZOZVTKMCPPTOJV-UHFFFAOYSA-N 1 3 304.434 2.581 20 30 DFEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000356835850 428331065 /nfs/dbraw/zinc/33/10/65/428331065.db2.gz CRCXMGXBZYZUIB-VNTMZGSJSA-N 1 3 314.473 2.671 20 30 DFEDHO COc1cc(CN(CCC[NH3+])CC2CCCC2)ccc1C#N ZINC000414792903 428412921 /nfs/dbraw/zinc/41/29/21/428412921.db2.gz RXDSXGAYVRAOAZ-UHFFFAOYSA-N 1 3 301.434 2.908 20 30 DFEDHO C=CCNC(=O)[C@H](C)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357091271 428383005 /nfs/dbraw/zinc/38/30/05/428383005.db2.gz WYEYRGYGVUWDGT-INIZCTEOSA-N 1 3 321.509 2.511 20 30 DFEDHO C=CCNC(=O)[C@H](C)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357091271 428383009 /nfs/dbraw/zinc/38/30/09/428383009.db2.gz WYEYRGYGVUWDGT-INIZCTEOSA-N 1 3 321.509 2.511 20 30 DFEDHO C=CCOc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353522399 428576761 /nfs/dbraw/zinc/57/67/61/428576761.db2.gz ULHMXFRKDCMHEE-UHFFFAOYSA-N 1 3 318.461 2.794 20 30 DFEDHO N#CC1(CCCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CCOCC1 ZINC000374161201 428665480 /nfs/dbraw/zinc/66/54/80/428665480.db2.gz LUGJEWNHNCHIBS-KZNAEPCWSA-N 1 3 317.477 2.503 20 30 DFEDHO N#CC1(CCCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CCOCC1 ZINC000374161201 428665485 /nfs/dbraw/zinc/66/54/85/428665485.db2.gz LUGJEWNHNCHIBS-KZNAEPCWSA-N 1 3 317.477 2.503 20 30 DFEDHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)C1 ZINC000362232474 428669694 /nfs/dbraw/zinc/66/96/94/428669694.db2.gz BWUDUNJRTOERBS-ICUGJSFKSA-N 1 3 305.466 2.548 20 30 DFEDHO C=CC[C@H]1N(CC(=O)NC2CC[NH+](CC)CC2)CCCC1(C)C ZINC000444790244 429277403 /nfs/dbraw/zinc/27/74/03/429277403.db2.gz HSNYOSBFLVWQIO-QGZVFWFLSA-N 1 3 321.509 2.654 20 30 DFEDHO C#CC[N@@H+](CCCN1CCN(C(C)C)CC1)C1CCCCC1 ZINC000491147470 429327796 /nfs/dbraw/zinc/32/77/96/429327796.db2.gz RUSBUUOQRDDZIY-UHFFFAOYSA-N 1 3 305.510 2.670 20 30 DFEDHO C#CC[N@H+](CCCN1CCN(C(C)C)CC1)C1CCCCC1 ZINC000491147470 429327801 /nfs/dbraw/zinc/32/78/01/429327801.db2.gz RUSBUUOQRDDZIY-UHFFFAOYSA-N 1 3 305.510 2.670 20 30 DFEDHO COc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)ccc1C#N ZINC000459559968 429700025 /nfs/dbraw/zinc/70/00/25/429700025.db2.gz IWSSCVKWKSNBGC-UHFFFAOYSA-N 1 3 322.412 2.720 20 30 DFEDHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000432420514 429821852 /nfs/dbraw/zinc/82/18/52/429821852.db2.gz KPHWULIENOEQDU-HOTGVXAUSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000432420514 429821854 /nfs/dbraw/zinc/82/18/54/429821854.db2.gz KPHWULIENOEQDU-HOTGVXAUSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000432420413 429822508 /nfs/dbraw/zinc/82/25/08/429822508.db2.gz KPHWULIENOEQDU-CVEARBPZSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000432420413 429822512 /nfs/dbraw/zinc/82/25/12/429822512.db2.gz KPHWULIENOEQDU-CVEARBPZSA-N 1 3 301.434 2.710 20 30 DFEDHO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658143464 430823484 /nfs/dbraw/zinc/82/34/84/430823484.db2.gz YKXMOGJBAUNWEL-TXPKVOOTSA-N 1 3 302.462 2.944 20 30 DFEDHO C=CC[C@@]1(C(=O)Nc2cc(CN(C)C)ccc2C)CCC[NH2+]1 ZINC000662747539 431183607 /nfs/dbraw/zinc/18/36/07/431183607.db2.gz XJWUYVOLJQEVFU-SFHVURJKSA-N 1 3 301.434 2.693 20 30 DFEDHO C=CCc1cc(CNCc2ccc(C[NH3+])cc2)cc(OC)c1O ZINC000647552985 431630372 /nfs/dbraw/zinc/63/03/72/431630372.db2.gz JCJPDCYYGNGQOF-UHFFFAOYSA-N 1 3 312.413 2.878 20 30 DFEDHO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000518960832 300438268 /nfs/dbraw/zinc/43/82/68/300438268.db2.gz XAZSZPZFNJLRQP-AOCRQIFASA-N 1 3 313.445 2.980 20 30 DFEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000175007720 333093580 /nfs/dbraw/zinc/09/35/80/333093580.db2.gz SORWFPAGJHFMLB-IEBWSBKVSA-N 1 3 314.477 2.999 20 30 DFEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000294949876 335129165 /nfs/dbraw/zinc/12/91/65/335129165.db2.gz INGLHPGLNRKPQS-AZUAARDMSA-N 1 3 313.489 2.584 20 30 DFEDHO CN1CCN(CC2(C)CC[NH+](CCCC(C)(C)C#N)CC2)CC1 ZINC000364633741 333325604 /nfs/dbraw/zinc/32/56/04/333325604.db2.gz AQPUGZUYSKQBDX-UHFFFAOYSA-N 1 3 320.525 2.666 20 30 DFEDHO C=CCNC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000267403666 333983109 /nfs/dbraw/zinc/98/31/09/333983109.db2.gz GLCUBZNBTQTRJY-UHFFFAOYSA-N 1 3 320.868 2.642 20 30 DFEDHO C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)CN(C)C ZINC000291899365 334182827 /nfs/dbraw/zinc/18/28/27/334182827.db2.gz KQVJTAWFHZQNMR-JTQLQIEISA-N 1 3 318.343 2.510 20 30 DFEDHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000342810062 334578958 /nfs/dbraw/zinc/57/89/58/334578958.db2.gz OAOIBWMZNWYXBQ-IAGOWNOFSA-N 1 3 313.445 2.941 20 30 DFEDHO N#CC1(CCC[N@@H+]2CC[C@H](CN3CCCCC3)C2)CCOCC1 ZINC000366849914 335203280 /nfs/dbraw/zinc/20/32/80/335203280.db2.gz JNMMJTPZPWLYNI-GOSISDBHSA-N 1 3 319.493 2.895 20 30 DFEDHO N#CC1(CCC[N@H+]2CC[C@H](CN3CCCCC3)C2)CCOCC1 ZINC000366849914 335203282 /nfs/dbraw/zinc/20/32/82/335203282.db2.gz JNMMJTPZPWLYNI-GOSISDBHSA-N 1 3 319.493 2.895 20 30 DFEDHO CC(C#N)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000345819641 335353251 /nfs/dbraw/zinc/35/32/51/335353251.db2.gz SBLCBHIJFBAIKT-OAGGEKHMSA-N 1 3 313.445 2.940 20 30 DFEDHO C=CCNC(=O)[C@@H](C)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000182738040 337189688 /nfs/dbraw/zinc/18/96/88/337189688.db2.gz FUCHZNLUQGYNIC-MRXNPFEDSA-N 1 3 309.498 2.511 20 30 DFEDHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365419 338193915 /nfs/dbraw/zinc/19/39/15/338193915.db2.gz PVUIPZOINLMGQV-MSOLQXFVSA-N 1 3 313.445 2.559 20 30 DFEDHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365419 338193916 /nfs/dbraw/zinc/19/39/16/338193916.db2.gz PVUIPZOINLMGQV-MSOLQXFVSA-N 1 3 313.445 2.559 20 30 DFEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000449324226 338613057 /nfs/dbraw/zinc/61/30/57/338613057.db2.gz DIXIZCAIOXBYEU-RCCFBDPRSA-N 1 3 321.509 2.709 20 30 DFEDHO COc1cc(CNCCCCC[NH+]2CCCC2)ccc1C#N ZINC000292938389 533873774 /nfs/dbraw/zinc/87/37/74/533873774.db2.gz HPYPVXXDWKQAOO-UHFFFAOYSA-N 1 3 301.434 2.923 20 30 DFEDHO C=CCC[C@@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821504 185343973 /nfs/dbraw/zinc/34/39/73/185343973.db2.gz IZIJMNWRGSWZQE-LJQANCHMSA-N 1 3 317.477 2.947 20 30 DFEDHO C=CCC[C@@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821504 185343974 /nfs/dbraw/zinc/34/39/74/185343974.db2.gz IZIJMNWRGSWZQE-LJQANCHMSA-N 1 3 317.477 2.947 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC000591582714 398773776 /nfs/dbraw/zinc/77/37/76/398773776.db2.gz VFPFRDSTOVSKME-SFHVURJKSA-N 1 3 324.472 2.791 20 30 DFEDHO COc1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1C#N ZINC000594735633 398852224 /nfs/dbraw/zinc/85/22/24/398852224.db2.gz LVUQOPNWJJWISD-SFHVURJKSA-N 1 3 313.445 2.778 20 30 DFEDHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1C#N ZINC000594736775 398852520 /nfs/dbraw/zinc/85/25/20/398852520.db2.gz URDOBEPNKUUNMN-SFHVURJKSA-N 1 3 313.445 2.778 20 30 DFEDHO CC[NH+](CC)Cc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598715221 398860012 /nfs/dbraw/zinc/86/00/12/398860012.db2.gz NEKWJKCKFZLGDF-SFHVURJKSA-N 1 3 317.477 2.919 20 30 DFEDHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000595058396 398899160 /nfs/dbraw/zinc/89/91/60/398899160.db2.gz BBMXKNDWKLNPPF-GJZGRUSLSA-N 1 3 320.456 2.620 20 30 DFEDHO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C#N)c(F)c1 ZINC000595102793 398906144 /nfs/dbraw/zinc/90/61/44/398906144.db2.gz MAEXVDAASNTFRY-CXAGYDPISA-N 1 3 317.408 2.601 20 30 DFEDHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCC1(C#N)CCOCC1)C2 ZINC000595505580 398952152 /nfs/dbraw/zinc/95/21/52/398952152.db2.gz WKMVWMCTKBHXFV-GOSISDBHSA-N 1 3 305.466 2.505 20 30 DFEDHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCC1(C#N)CCOCC1)C2 ZINC000595505580 398952155 /nfs/dbraw/zinc/95/21/55/398952155.db2.gz WKMVWMCTKBHXFV-GOSISDBHSA-N 1 3 305.466 2.505 20 30 DFEDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC000614402319 399226340 /nfs/dbraw/zinc/22/63/40/399226340.db2.gz SNKMQXGBFLWAID-IBGZPJMESA-N 1 3 315.461 2.799 20 30 DFEDHO CC(C)[N@H+](C)CC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000609133441 399304655 /nfs/dbraw/zinc/30/46/55/399304655.db2.gz FPQBPQZILWACEO-UHFFFAOYSA-N 1 3 315.461 2.989 20 30 DFEDHO CC(C)[N@@H+](C)CC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000609133441 399304659 /nfs/dbraw/zinc/30/46/59/399304659.db2.gz FPQBPQZILWACEO-UHFFFAOYSA-N 1 3 315.461 2.989 20 30 DFEDHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2CCN(CC#N)CC2)CC1 ZINC000610813301 399409255 /nfs/dbraw/zinc/40/92/55/399409255.db2.gz CCPVWGVIGNSNIQ-QFBILLFUSA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000610813301 399409258 /nfs/dbraw/zinc/40/92/58/399409258.db2.gz CCPVWGVIGNSNIQ-QFBILLFUSA-N 1 3 318.509 2.607 20 30 DFEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544001 399471531 /nfs/dbraw/zinc/47/15/31/399471531.db2.gz GRKVKEFCCCTQEI-DLBZAZTESA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544001 399471532 /nfs/dbraw/zinc/47/15/32/399471532.db2.gz GRKVKEFCCCTQEI-DLBZAZTESA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544001 399471534 /nfs/dbraw/zinc/47/15/34/399471534.db2.gz GRKVKEFCCCTQEI-DLBZAZTESA-N 1 3 307.482 2.795 20 30 DFEDHO CN1CCC[C@H]1CC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602897757 399618519 /nfs/dbraw/zinc/61/85/19/399618519.db2.gz ZBJPWPYUCWQKTK-SFHVURJKSA-N 1 3 312.461 2.919 20 30 DFEDHO C=CCC[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CC1 ZINC000271563465 209015275 /nfs/dbraw/zinc/01/52/75/209015275.db2.gz UTBHJLRRUTVUAQ-QGZVFWFLSA-N 1 3 303.450 2.856 20 30 DFEDHO CCC([NH3+])(CC)CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423287511 270000830 /nfs/dbraw/zinc/00/08/30/270000830.db2.gz MRVHYYUUTCOSKU-UHFFFAOYSA-N 1 3 314.477 2.630 20 30 DFEDHO CCC(N)(CC)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423287511 270000831 /nfs/dbraw/zinc/00/08/31/270000831.db2.gz MRVHYYUUTCOSKU-UHFFFAOYSA-N 1 3 314.477 2.630 20 30 DFEDHO C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C[NH3+])cc1)C(C)C ZINC000165199288 426120348 /nfs/dbraw/zinc/12/03/48/426120348.db2.gz JNXCNGWZFXLQRU-GOSISDBHSA-N 1 3 315.461 2.574 20 30 DFEDHO C[NH+](C)CCCC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000123115712 426414549 /nfs/dbraw/zinc/41/45/49/426414549.db2.gz PCXYEUMUXHSGTA-UHFFFAOYSA-N 1 3 315.461 2.991 20 30 DFEDHO CN1CCC[C@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1cccs1 ZINC000247016633 426891594 /nfs/dbraw/zinc/89/15/94/426891594.db2.gz LPVSHYVDRQOUQG-ZBFHGGJFSA-N 1 3 320.506 2.932 20 30 DFEDHO C#CCCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000271059607 427391197 /nfs/dbraw/zinc/39/11/97/427391197.db2.gz SEFPKLFJVCMWJQ-FQEVSTJZSA-N 1 3 314.473 2.777 20 30 DFEDHO C#CCCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000271059607 427391203 /nfs/dbraw/zinc/39/12/03/427391203.db2.gz SEFPKLFJVCMWJQ-FQEVSTJZSA-N 1 3 314.473 2.777 20 30 DFEDHO CCCCNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000264067197 427650242 /nfs/dbraw/zinc/65/02/42/427650242.db2.gz BSNZAQLFZFKZGA-AWEZNQCLSA-N 1 3 308.495 2.665 20 30 DFEDHO CC(C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342988651 428499960 /nfs/dbraw/zinc/49/99/60/428499960.db2.gz OEOXNERFJMWNQC-INIZCTEOSA-N 1 3 311.429 2.661 20 30 DFEDHO CC(C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342988651 428499962 /nfs/dbraw/zinc/49/99/62/428499962.db2.gz OEOXNERFJMWNQC-INIZCTEOSA-N 1 3 311.429 2.661 20 30 DFEDHO C[C@H]1CC[NH2+]CC[C@H]1NCCSCc1ccccc1C#N ZINC000422985929 429054257 /nfs/dbraw/zinc/05/42/57/429054257.db2.gz FXQXMEXVBLOXGS-WMLDXEAASA-N 1 3 303.475 2.769 20 30 DFEDHO C[C@H]1CCNCC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422985929 429054261 /nfs/dbraw/zinc/05/42/61/429054261.db2.gz FXQXMEXVBLOXGS-WMLDXEAASA-N 1 3 303.475 2.769 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453348705 429148751 /nfs/dbraw/zinc/14/87/51/429148751.db2.gz IAJJYHNJGRWMCJ-UTBUEMAESA-N 1 3 312.457 2.830 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000453348705 429148763 /nfs/dbraw/zinc/14/87/63/429148763.db2.gz IAJJYHNJGRWMCJ-UTBUEMAESA-N 1 3 312.457 2.830 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453348705 429148768 /nfs/dbraw/zinc/14/87/68/429148768.db2.gz IAJJYHNJGRWMCJ-UTBUEMAESA-N 1 3 312.457 2.830 20 30 DFEDHO C=CCN1CCC(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424164242 429103376 /nfs/dbraw/zinc/10/33/76/429103376.db2.gz YUHOTCBIJLRKNZ-KRWDZBQOSA-N 1 3 321.509 2.831 20 30 DFEDHO C=CCc1cc(CN2CCC[C@@H](CC[NH3+])C2)cc(OC)c1O ZINC000442918066 429241352 /nfs/dbraw/zinc/24/13/52/429241352.db2.gz BVBKNPRTRIDLRM-AWEZNQCLSA-N 1 3 304.434 2.690 20 30 DFEDHO C[N@H+](CCCCNC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000457176029 429420945 /nfs/dbraw/zinc/42/09/45/429420945.db2.gz YRYRFSDQVARTOC-QGZVFWFLSA-N 1 3 313.445 2.750 20 30 DFEDHO C[N@@H+](CCCCNC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000457176029 429420952 /nfs/dbraw/zinc/42/09/52/429420952.db2.gz YRYRFSDQVARTOC-QGZVFWFLSA-N 1 3 313.445 2.750 20 30 DFEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC000292048151 335087796 /nfs/dbraw/zinc/08/77/96/335087796.db2.gz YIDDLDPRMWGJSW-SFHVURJKSA-N 1 3 321.509 2.533 20 30 DFEDHO C=CCOc1ccccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638616052 430390158 /nfs/dbraw/zinc/39/01/58/430390158.db2.gz HTHTUAYDUAUAQQ-UHFFFAOYSA-N 1 3 318.461 2.576 20 30 DFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000657881865 430759619 /nfs/dbraw/zinc/75/96/19/430759619.db2.gz ZCORYLYHDRHJPH-ZHALLVOQSA-N 1 3 305.510 2.879 20 30 DFEDHO CCN(CC)C(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264101453 333952067 /nfs/dbraw/zinc/95/20/67/333952067.db2.gz ODIMGLQKARKNOU-UHFFFAOYSA-N 1 3 308.495 2.617 20 30 DFEDHO Cc1cc(C)cc(NC(=[NH2+])NCCCN2CCCO[C@H](C)C2)c1 ZINC000277231726 334087356 /nfs/dbraw/zinc/08/73/56/334087356.db2.gz GSTSPQVKVIXRAD-MRXNPFEDSA-N 1 3 318.465 2.531 20 30 DFEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000343578424 335178877 /nfs/dbraw/zinc/17/88/77/335178877.db2.gz KBBQUXANCBTFQL-QGZVFWFLSA-N 1 3 321.509 2.629 20 30 DFEDHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000342810064 334578929 /nfs/dbraw/zinc/57/89/29/334578929.db2.gz OAOIBWMZNWYXBQ-SJORKVTESA-N 1 3 313.445 2.941 20 30 DFEDHO CCN1CCN(c2ccccc2C[NH2+]CCCCC#N)CC1 ZINC000344288966 335236984 /nfs/dbraw/zinc/23/69/84/335236984.db2.gz YAOHJTSOIVUGDR-UHFFFAOYSA-N 1 3 300.450 2.612 20 30 DFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C(C)C ZINC000346121169 335376156 /nfs/dbraw/zinc/37/61/56/335376156.db2.gz FCBILZLWEBGPHM-KSZLIROESA-N 1 3 321.509 2.674 20 30 DFEDHO C[C@@H](CCC#N)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351272628 336025198 /nfs/dbraw/zinc/02/51/98/336025198.db2.gz VKXWCSNJJSNQJP-YESZJQIVSA-N 1 3 307.482 2.890 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331387309 336134653 /nfs/dbraw/zinc/13/46/53/336134653.db2.gz LAYOGWSWHUBPLY-KSZLIROESA-N 1 3 311.429 2.502 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331387309 336134654 /nfs/dbraw/zinc/13/46/54/336134654.db2.gz LAYOGWSWHUBPLY-KSZLIROESA-N 1 3 311.429 2.502 20 30 DFEDHO C=CCOc1cccc(CN2CCC(OCC[NH+](C)C)CC2)c1 ZINC000353535530 336423183 /nfs/dbraw/zinc/42/31/83/336423183.db2.gz WHZWJYHFXUYKJU-UHFFFAOYSA-N 1 3 318.461 2.794 20 30 DFEDHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365309 338193936 /nfs/dbraw/zinc/19/39/36/338193936.db2.gz PENAVPTYMATETI-OKZBNKHCSA-N 1 3 313.445 2.748 20 30 DFEDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433472756 338195412 /nfs/dbraw/zinc/19/54/12/338195412.db2.gz VBXJNTIVNNZBHN-NJAFHUGGSA-N 1 3 313.445 2.558 20 30 DFEDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433472756 338195413 /nfs/dbraw/zinc/19/54/13/338195413.db2.gz VBXJNTIVNNZBHN-NJAFHUGGSA-N 1 3 313.445 2.558 20 30 DFEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684767976 546276865 /nfs/dbraw/zinc/27/68/65/546276865.db2.gz WPYJYRDBMYMZQI-HKUYNNGSSA-N 1 3 318.461 2.698 20 30 DFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc(Cl)cc1C#N ZINC000596365308 398395381 /nfs/dbraw/zinc/39/53/81/398395381.db2.gz YPVDFHMFWSLWBS-ZDUSSCGKSA-N 1 3 308.857 2.896 20 30 DFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc(Cl)cc1C#N ZINC000596365308 398395382 /nfs/dbraw/zinc/39/53/82/398395382.db2.gz YPVDFHMFWSLWBS-ZDUSSCGKSA-N 1 3 308.857 2.896 20 30 DFEDHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000597175082 398582409 /nfs/dbraw/zinc/58/24/09/398582409.db2.gz VTJSYQSXBBKARJ-INIZCTEOSA-N 1 3 301.434 2.753 20 30 DFEDHO CC[NH+](CC)CC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000047978666 398766968 /nfs/dbraw/zinc/76/69/68/398766968.db2.gz ZCQZUEOZVMFHAB-UHFFFAOYSA-N 1 3 315.461 2.991 20 30 DFEDHO CC(C)(C#N)C[C@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000598719309 398861121 /nfs/dbraw/zinc/86/11/21/398861121.db2.gz JCRGVWVUOULMDL-KRWDZBQOSA-N 1 3 307.482 2.674 20 30 DFEDHO CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000598719309 398861123 /nfs/dbraw/zinc/86/11/23/398861123.db2.gz JCRGVWVUOULMDL-KRWDZBQOSA-N 1 3 307.482 2.674 20 30 DFEDHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000595336420 398923664 /nfs/dbraw/zinc/92/36/64/398923664.db2.gz GBDKZXKMWNNZHD-LJQANCHMSA-N 1 3 315.461 2.533 20 30 DFEDHO Cc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1C#N ZINC000600711108 399120867 /nfs/dbraw/zinc/12/08/67/399120867.db2.gz QZLJLFRNQHWPDH-RTBURBONSA-N 1 3 313.445 2.585 20 30 DFEDHO N#Cc1ccc2c(c1)[C@@H](NCc1cccc3c1CC[NH2+]C3)CC2 ZINC000602021550 399386295 /nfs/dbraw/zinc/38/62/95/399386295.db2.gz PNACTWDPKIJEPB-FQEVSTJZSA-N 1 3 303.409 2.981 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000602502193 399461709 /nfs/dbraw/zinc/46/17/09/399461709.db2.gz JFZLCFWXJGXONA-SJORKVTESA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000602502193 399461710 /nfs/dbraw/zinc/46/17/10/399461710.db2.gz JFZLCFWXJGXONA-SJORKVTESA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000602502193 399461712 /nfs/dbraw/zinc/46/17/12/399461712.db2.gz JFZLCFWXJGXONA-SJORKVTESA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)C[NH+]1CCCCC1 ZINC000602518243 399466378 /nfs/dbraw/zinc/46/63/78/399466378.db2.gz OGWZLQTXOBQWIE-SJORKVTESA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)CN1CCCCC1 ZINC000602518243 399466381 /nfs/dbraw/zinc/46/63/81/399466381.db2.gz OGWZLQTXOBQWIE-SJORKVTESA-N 1 3 307.482 2.797 20 30 DFEDHO CN(C)CCOc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602517330 399466492 /nfs/dbraw/zinc/46/64/92/399466492.db2.gz YSPVTZHTTTWXPJ-UHFFFAOYSA-N 1 3 301.434 2.799 20 30 DFEDHO C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000611438562 399476802 /nfs/dbraw/zinc/47/68/02/399476802.db2.gz AIDJJTWBCNVSAU-DNVCBOLYSA-N 1 3 313.445 2.852 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000602606467 399488439 /nfs/dbraw/zinc/48/84/39/399488439.db2.gz FCEOCBJKTAWJIH-IRXDYDNUSA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000602606467 399488443 /nfs/dbraw/zinc/48/84/43/399488443.db2.gz FCEOCBJKTAWJIH-IRXDYDNUSA-N 1 3 307.482 2.939 20 30 DFEDHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)CC1 ZINC000270185432 208249025 /nfs/dbraw/zinc/24/90/25/208249025.db2.gz CAWGBUREKRLLOO-INIZCTEOSA-N 1 3 301.409 2.861 20 30 DFEDHO C=C(C)COc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1OC ZINC000291785589 335085624 /nfs/dbraw/zinc/08/56/24/335085624.db2.gz VKGOYBJTWFKAAR-HNNXBMFYSA-N 1 3 306.450 2.937 20 30 DFEDHO Cc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000443969580 267996386 /nfs/dbraw/zinc/99/63/86/267996386.db2.gz PXUFOVLUOAEWCH-IRXDYDNUSA-N 1 3 315.461 2.846 20 30 DFEDHO N#Cc1ccc(OCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047972863 425872383 /nfs/dbraw/zinc/87/23/83/425872383.db2.gz SNBXISWMFIMXQH-UHFFFAOYSA-N 1 3 313.445 2.745 20 30 DFEDHO Cc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000274320829 426742092 /nfs/dbraw/zinc/74/20/92/426742092.db2.gz CUKBGYOIKGSTJP-UHFFFAOYSA-N 1 3 306.413 2.974 20 30 DFEDHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000264404639 271274097 /nfs/dbraw/zinc/27/40/97/271274097.db2.gz XMSIJUNWFRQUOG-UHFFFAOYSA-N 1 3 323.440 2.831 20 30 DFEDHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000269470443 427205482 /nfs/dbraw/zinc/20/54/82/427205482.db2.gz ZVNWGDUQEDXJJU-GASCZTMLSA-N 1 3 319.424 2.676 20 30 DFEDHO CN1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@H]1c1cccs1 ZINC000262513792 427361830 /nfs/dbraw/zinc/36/18/30/427361830.db2.gz FIRHPWKVODDJIN-JSGCOSHPSA-N 1 3 308.495 2.834 20 30 DFEDHO CN1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000271304055 427486569 /nfs/dbraw/zinc/48/65/69/427486569.db2.gz POBQOKMYIUDFDF-QGZVFWFLSA-N 1 3 313.445 2.886 20 30 DFEDHO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000264114750 427660984 /nfs/dbraw/zinc/66/09/84/427660984.db2.gz SBEWWCKSOPRCFH-KGLIPLIRSA-N 1 3 308.495 2.663 20 30 DFEDHO CCCN(C)C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337170006 427808630 /nfs/dbraw/zinc/80/86/30/427808630.db2.gz DVOVVRYRVNTLOC-QGZVFWFLSA-N 1 3 307.482 2.751 20 30 DFEDHO CCCN(C)C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337170006 427808631 /nfs/dbraw/zinc/80/86/31/427808631.db2.gz DVOVVRYRVNTLOC-QGZVFWFLSA-N 1 3 307.482 2.751 20 30 DFEDHO CSC1(CNCc2ccc(C#N)cc2F)CC[NH+](C)CC1 ZINC000353234766 428443632 /nfs/dbraw/zinc/44/36/32/428443632.db2.gz YLPMOAFKBQIKLS-UHFFFAOYSA-N 1 3 307.438 2.614 20 30 DFEDHO C=CCc1cc(CN2CCC([C@H](C)[NH3+])CC2)cc(OC)c1O ZINC000347128312 428459008 /nfs/dbraw/zinc/45/90/08/428459008.db2.gz PFZQQZXDOUJKHM-ZDUSSCGKSA-N 1 3 304.434 2.689 20 30 DFEDHO C=CCN1CCC(NC(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000415951421 428636111 /nfs/dbraw/zinc/63/61/11/428636111.db2.gz IJWAAIRNHLYPKI-UHFFFAOYSA-N 1 3 316.449 2.568 20 30 DFEDHO CCN1CCC[C@H]1C[N@H+](CCN(C)C)CC(C)(C)CCC#N ZINC000349064137 428911851 /nfs/dbraw/zinc/91/18/51/428911851.db2.gz UCOHIVXPIRFIBA-KRWDZBQOSA-N 1 3 308.514 2.664 20 30 DFEDHO CCN1CCC[C@H]1C[N@@H+](CCN(C)C)CC(C)(C)CCC#N ZINC000349064137 428911857 /nfs/dbraw/zinc/91/18/57/428911857.db2.gz UCOHIVXPIRFIBA-KRWDZBQOSA-N 1 3 308.514 2.664 20 30 DFEDHO C[C@H]1CC[NH2+]CC[C@@H]1NCCSCc1ccccc1C#N ZINC000422985930 429053919 /nfs/dbraw/zinc/05/39/19/429053919.db2.gz FXQXMEXVBLOXGS-YOEHRIQHSA-N 1 3 303.475 2.769 20 30 DFEDHO C[C@H]1CCNCC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422985930 429053922 /nfs/dbraw/zinc/05/39/22/429053922.db2.gz FXQXMEXVBLOXGS-YOEHRIQHSA-N 1 3 303.475 2.769 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000424298915 429123517 /nfs/dbraw/zinc/12/35/17/429123517.db2.gz UMEDNCDJPRIRSW-IEZWGBDMSA-N 1 3 318.461 2.869 20 30 DFEDHO N#Cc1ccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000436472288 429200198 /nfs/dbraw/zinc/20/01/98/429200198.db2.gz ZIYAVUWWYSLBHC-UHFFFAOYSA-N 1 3 322.412 2.591 20 30 DFEDHO Cc1cc[nH+]c(NNC2=CC(=O)N(C(=O)OC(C)(C)C)C2C)c1 ZINC000496006937 429302394 /nfs/dbraw/zinc/30/23/94/429302394.db2.gz ORUHJKSUPNONAE-NSHDSACASA-N 1 3 318.377 2.714 20 30 DFEDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000369344068 429926130 /nfs/dbraw/zinc/92/61/30/429926130.db2.gz PETZALZWNAWRGJ-MNEFBYGVSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000369344068 429926132 /nfs/dbraw/zinc/92/61/32/429926132.db2.gz PETZALZWNAWRGJ-MNEFBYGVSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1cccc(C#N)c1 ZINC000369343477 429926331 /nfs/dbraw/zinc/92/63/31/429926331.db2.gz NOROFNKFSNJGNM-AYOQOUSVSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1cccc(C#N)c1 ZINC000369343477 429926336 /nfs/dbraw/zinc/92/63/36/429926336.db2.gz NOROFNKFSNJGNM-AYOQOUSVSA-N 1 3 313.445 2.537 20 30 DFEDHO CCc1nnc(NC[C@H]2CCCCN2C2CC2)c(C#N)c1CC ZINC000562437493 430130815 /nfs/dbraw/zinc/13/08/15/430130815.db2.gz SKWAEFLGPOPWHO-CQSZACIVSA-N 1 3 313.449 2.902 20 30 DFEDHO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000651755244 430867631 /nfs/dbraw/zinc/86/76/31/430867631.db2.gz FPEMHTUXTFBYGZ-NVXWUHKLSA-N 1 3 303.450 2.856 20 30 DFEDHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(C#N)cc1 ZINC000278295840 280184816 /nfs/dbraw/zinc/18/48/16/280184816.db2.gz RJDMGEFHKLTXAK-LJQANCHMSA-N 1 3 314.477 2.625 20 30 DFEDHO C=CCCCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000426999192 332165172 /nfs/dbraw/zinc/16/51/72/332165172.db2.gz VPSKKRINYKNDII-UHFFFAOYSA-N 1 3 317.477 2.715 20 30 DFEDHO COc1ccc(NC(=[NH2+])NCC(C)(C)N2CCC[C@@H](C)C2)cc1 ZINC000104178917 332244437 /nfs/dbraw/zinc/24/44/37/332244437.db2.gz MAXRYCOFKKOIBR-CQSZACIVSA-N 1 3 318.465 2.932 20 30 DFEDHO [NH2+]=C(NCC1CCN(Cc2ccccc2Cl)CC1)NC1CC1 ZINC000107035266 332262894 /nfs/dbraw/zinc/26/28/94/332262894.db2.gz LPTCGPKNZUPSDS-UHFFFAOYSA-N 1 3 320.868 2.619 20 30 DFEDHO C=CCOCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000293742824 335113100 /nfs/dbraw/zinc/11/31/00/335113100.db2.gz HVPSHXYEJQXIEY-UHFFFAOYSA-N 1 3 303.450 2.823 20 30 DFEDHO C=CCOCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000293742824 335113101 /nfs/dbraw/zinc/11/31/01/335113101.db2.gz HVPSHXYEJQXIEY-UHFFFAOYSA-N 1 3 303.450 2.823 20 30 DFEDHO C=C(C)CN1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000294262099 335120464 /nfs/dbraw/zinc/12/04/64/335120464.db2.gz RAEDKFSTNNKQKW-UHFFFAOYSA-N 1 3 314.477 2.681 20 30 DFEDHO CC(CCN1CCC(C#N)CC1)CC[NH+]1CCC(C#N)CC1 ZINC000411216401 333644293 /nfs/dbraw/zinc/64/42/93/333644293.db2.gz FIWDXHAICVPAAP-UHFFFAOYSA-N 1 3 302.466 2.874 20 30 DFEDHO CC(C)CCNC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264079746 333951207 /nfs/dbraw/zinc/95/12/07/333951207.db2.gz GWIBBHOHLZSKBL-UHFFFAOYSA-N 1 3 322.522 2.911 20 30 DFEDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000343545644 335171063 /nfs/dbraw/zinc/17/10/63/335171063.db2.gz YYZHZYDHYSMBIB-LJQANCHMSA-N 1 3 315.461 2.685 20 30 DFEDHO CN(C)[C@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000277319174 334087773 /nfs/dbraw/zinc/08/77/73/334087773.db2.gz BZVAZJCFRZQFLI-SFHVURJKSA-N 1 3 314.477 2.953 20 30 DFEDHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000277319174 334087774 /nfs/dbraw/zinc/08/77/74/334087774.db2.gz BZVAZJCFRZQFLI-SFHVURJKSA-N 1 3 314.477 2.953 20 30 DFEDHO C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N1CCC[C@H](C)C1 ZINC000288628556 334161442 /nfs/dbraw/zinc/16/14/42/334161442.db2.gz AQNMQRFLWOPJCD-NWDGAFQWSA-N 1 3 310.392 2.812 20 30 DFEDHO C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N1CCC[C@@H](C)C1 ZINC000288628552 334161451 /nfs/dbraw/zinc/16/14/51/334161451.db2.gz AQNMQRFLWOPJCD-NEPJUHHUSA-N 1 3 310.392 2.812 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000352331393 336212810 /nfs/dbraw/zinc/21/28/10/336212810.db2.gz POXYHDFUSYUCDB-QFBILLFUSA-N 1 3 311.429 2.661 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000352331393 336212811 /nfs/dbraw/zinc/21/28/11/336212811.db2.gz POXYHDFUSYUCDB-QFBILLFUSA-N 1 3 311.429 2.661 20 30 DFEDHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)CN1CCCCC1 ZINC000362032654 336782641 /nfs/dbraw/zinc/78/26/41/336782641.db2.gz OWXNSFYPAOVDMI-SPOLIRPYSA-N 1 3 319.493 2.938 20 30 DFEDHO C=CCC[C@H](O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375486659 337011967 /nfs/dbraw/zinc/01/19/67/337011967.db2.gz NYCXPRGRMRFJIZ-CEXWTWQISA-N 1 3 302.462 2.986 20 30 DFEDHO C=CCC[C@H](O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375486659 337011968 /nfs/dbraw/zinc/01/19/68/337011968.db2.gz NYCXPRGRMRFJIZ-CEXWTWQISA-N 1 3 302.462 2.986 20 30 DFEDHO CCO[C@@H](CC[NH+](C)C)CNC1CC(C#N)(c2ccccc2)C1 ZINC000127599544 337421600 /nfs/dbraw/zinc/42/16/00/337421600.db2.gz PKKXSPZOQNLGFR-XBMUEBEBSA-N 1 3 315.461 2.557 20 30 DFEDHO C=CCc1cc(CN2CCC(CC[NH3+])CC2)cc(OC)c1O ZINC000580896820 398386293 /nfs/dbraw/zinc/38/62/93/398386293.db2.gz QDIITMUEZKHKSN-UHFFFAOYSA-N 1 3 304.434 2.690 20 30 DFEDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594497175 398810379 /nfs/dbraw/zinc/81/03/79/398810379.db2.gz DIJNTQLUYDYQLD-SFHVURJKSA-N 1 3 317.477 2.934 20 30 DFEDHO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000598612414 398841545 /nfs/dbraw/zinc/84/15/45/398841545.db2.gz OZCUCSPCBYDGDX-ZOBUZTSGSA-N 1 3 307.482 2.530 20 30 DFEDHO C[C@H](NC[C@@H](O)CC(C)(C)C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000598612414 398841546 /nfs/dbraw/zinc/84/15/46/398841546.db2.gz OZCUCSPCBYDGDX-ZOBUZTSGSA-N 1 3 307.482 2.530 20 30 DFEDHO C[C@H](NC[C@@H](O)CC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000598612414 398841548 /nfs/dbraw/zinc/84/15/48/398841548.db2.gz OZCUCSPCBYDGDX-ZOBUZTSGSA-N 1 3 307.482 2.530 20 30 DFEDHO CCN(CC)Cc1ccccc1CNC(=[NH2+])NC1CCCC1 ZINC000077754273 398922659 /nfs/dbraw/zinc/92/26/59/398922659.db2.gz UEYFAGAUNVBGKU-UHFFFAOYSA-N 1 3 302.466 2.875 20 30 DFEDHO N#CCSCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000595510028 398954011 /nfs/dbraw/zinc/95/40/11/398954011.db2.gz JFFMDZUNRJUVQT-UHFFFAOYSA-N 1 3 303.475 2.887 20 30 DFEDHO C[N@@H+]1CCCC[C@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600313133 399031321 /nfs/dbraw/zinc/03/13/21/399031321.db2.gz IBKDKMUWXRJBAG-QZTJIDSGSA-N 1 3 313.445 2.607 20 30 DFEDHO C[N@H+]1CCCC[C@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600313133 399031326 /nfs/dbraw/zinc/03/13/26/399031326.db2.gz IBKDKMUWXRJBAG-QZTJIDSGSA-N 1 3 313.445 2.607 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000602502191 399461962 /nfs/dbraw/zinc/46/19/62/399461962.db2.gz JFZLCFWXJGXONA-IAGOWNOFSA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[N@H+]1CCCC[C@H]1C ZINC000602502191 399461968 /nfs/dbraw/zinc/46/19/68/399461968.db2.gz JFZLCFWXJGXONA-IAGOWNOFSA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCCC[C@H]1C ZINC000602502191 399461971 /nfs/dbraw/zinc/46/19/71/399461971.db2.gz JFZLCFWXJGXONA-IAGOWNOFSA-N 1 3 307.482 2.939 20 30 DFEDHO CC(C)CN1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602512978 399465116 /nfs/dbraw/zinc/46/51/16/399465116.db2.gz XXWVMTAZLCRHGY-INIZCTEOSA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)C[NH+]1CCC(N[C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602512978 399465119 /nfs/dbraw/zinc/46/51/19/399465119.db2.gz XXWVMTAZLCRHGY-INIZCTEOSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000602516226 399465726 /nfs/dbraw/zinc/46/57/26/399465726.db2.gz WKDCOXZJKMQAFZ-BRWVUGGUSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000602516226 399465730 /nfs/dbraw/zinc/46/57/30/399465730.db2.gz WKDCOXZJKMQAFZ-BRWVUGGUSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000611438566 399476967 /nfs/dbraw/zinc/47/69/67/399476967.db2.gz AIPTYASBMXSLQD-DNVCBOLYSA-N 1 3 313.445 2.852 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000602606468 399488727 /nfs/dbraw/zinc/48/87/27/399488727.db2.gz FCEOCBJKTAWJIH-SJORKVTESA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000602606468 399488732 /nfs/dbraw/zinc/48/87/32/399488732.db2.gz FCEOCBJKTAWJIH-SJORKVTESA-N 1 3 307.482 2.939 20 30 DFEDHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000602659099 399506195 /nfs/dbraw/zinc/50/61/95/399506195.db2.gz NDWRLFVAJOVGIK-UHFFFAOYSA-N 1 3 321.852 2.537 20 30 DFEDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358589137 158391349 /nfs/dbraw/zinc/39/13/49/158391349.db2.gz MHKGCJKCXRDLCR-ZFWWWQNUSA-N 1 3 307.413 2.705 20 30 DFEDHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114456 196020600 /nfs/dbraw/zinc/02/06/00/196020600.db2.gz PREPRRHQQQCTPF-MJGOQNOKSA-N 1 3 313.445 2.743 20 30 DFEDHO C[N@H+]1CCC[C@@H]2CN(CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114456 196020602 /nfs/dbraw/zinc/02/06/02/196020602.db2.gz PREPRRHQQQCTPF-MJGOQNOKSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114456 196020604 /nfs/dbraw/zinc/02/06/04/196020604.db2.gz PREPRRHQQQCTPF-MJGOQNOKSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114456 196020607 /nfs/dbraw/zinc/02/06/07/196020607.db2.gz PREPRRHQQQCTPF-MJGOQNOKSA-N 1 3 313.445 2.743 20 30 DFEDHO CN(C)C(=[NH+]C[C@@]1(C)CCCN1Cc1ccccc1)N(C)C ZINC000162456946 426064844 /nfs/dbraw/zinc/06/48/44/426064844.db2.gz FAUNBENZVGMPCP-GOSISDBHSA-N 1 3 302.466 2.520 20 30 DFEDHO CN1CC[C@@H](C[N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000120984607 426317703 /nfs/dbraw/zinc/31/77/03/426317703.db2.gz HQWLXCJITMPQOH-QGZVFWFLSA-N 1 3 301.434 2.753 20 30 DFEDHO CN1CC[C@@H](C[N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000120984607 426317706 /nfs/dbraw/zinc/31/77/06/426317706.db2.gz HQWLXCJITMPQOH-QGZVFWFLSA-N 1 3 301.434 2.753 20 30 DFEDHO C[NH+](C)CCCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000123559974 426440423 /nfs/dbraw/zinc/44/04/23/426440423.db2.gz MCKSHZHAQYWABT-UHFFFAOYSA-N 1 3 315.461 2.991 20 30 DFEDHO COc1ccc(NC(=[NH2+])NC[C@@H](CC(C)C)N2CCCC2)cc1 ZINC000264153373 426506225 /nfs/dbraw/zinc/50/62/25/426506225.db2.gz ZXPFCOPAUGGDJP-MRXNPFEDSA-N 1 3 318.465 2.932 20 30 DFEDHO C[C@]1(CNC(=[NH2+])Nc2ccccn2)CCCN1Cc1ccccc1 ZINC000186876100 426603284 /nfs/dbraw/zinc/60/32/84/426603284.db2.gz WDMUQRYVLHMYOO-LJQANCHMSA-N 1 3 323.444 2.863 20 30 DFEDHO CN(C(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1)C1CC1 ZINC000248372929 426992170 /nfs/dbraw/zinc/99/21/70/426992170.db2.gz DUTKUKRSBZWQNR-DOMZBBRYSA-N 1 3 306.479 2.540 20 30 DFEDHO Cc1c[nH+]ccc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000191977712 427457177 /nfs/dbraw/zinc/45/71/77/427457177.db2.gz SXHVFKQJNZLMJY-UHFFFAOYSA-N 1 3 306.413 2.974 20 30 DFEDHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271946363 427599440 /nfs/dbraw/zinc/59/94/40/427599440.db2.gz NMBSZZIZLBFDBE-CJNGLKHVSA-N 1 3 307.413 2.705 20 30 DFEDHO C#CCOc1ccccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298554016 427647566 /nfs/dbraw/zinc/64/75/66/427647566.db2.gz VCYADXNKIHPRNX-UHFFFAOYSA-N 1 3 321.424 2.852 20 30 DFEDHO CCNC(NCC1CCN(Cc2cccs2)CC1)=[NH+]CC ZINC000264106137 427657076 /nfs/dbraw/zinc/65/70/76/427657076.db2.gz PMYKNQXCIBSLIR-UHFFFAOYSA-N 1 3 308.495 2.535 20 30 DFEDHO C[NH+](C)C1(CNC(=O)C(C#N)CCc2ccccc2)CCCC1 ZINC000343074074 428514204 /nfs/dbraw/zinc/51/42/04/428514204.db2.gz UYBOPMGSJXCIFS-KRWDZBQOSA-N 1 3 313.445 2.750 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361711678 428590486 /nfs/dbraw/zinc/59/04/86/428590486.db2.gz LOCOPYDQRAIPPS-NJAFHUGGSA-N 1 3 311.429 2.659 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361711678 428590489 /nfs/dbraw/zinc/59/04/89/428590489.db2.gz LOCOPYDQRAIPPS-NJAFHUGGSA-N 1 3 311.429 2.659 20 30 DFEDHO CC(C#N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000357819605 428563977 /nfs/dbraw/zinc/56/39/77/428563977.db2.gz DWTGRIMOHVSMQI-OAGGEKHMSA-N 1 3 313.445 2.940 20 30 DFEDHO CN1CCCC[C@H]1CC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116817 428624937 /nfs/dbraw/zinc/62/49/37/428624937.db2.gz NWXVYKWZFRJQPA-IBGZPJMESA-N 1 3 315.461 2.881 20 30 DFEDHO CN1CCCC[C@H]1CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116817 428624944 /nfs/dbraw/zinc/62/49/44/428624944.db2.gz NWXVYKWZFRJQPA-IBGZPJMESA-N 1 3 315.461 2.881 20 30 DFEDHO C[C@@H]1C[N@H+](CCCN[C@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670890 428649651 /nfs/dbraw/zinc/64/96/51/428649651.db2.gz WARIDSRYCLLGHK-BEFAXECRSA-N 1 3 313.445 2.636 20 30 DFEDHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670890 428649655 /nfs/dbraw/zinc/64/96/55/428649655.db2.gz WARIDSRYCLLGHK-BEFAXECRSA-N 1 3 313.445 2.636 20 30 DFEDHO N#Cc1ccc(N2CCC[N@H+](CCCN3CCCC3)CC2)cc1 ZINC000362447527 428748566 /nfs/dbraw/zinc/74/85/66/428748566.db2.gz HDSWXMURZZHYBO-UHFFFAOYSA-N 1 3 312.461 2.556 20 30 DFEDHO N#Cc1ccc(N2CCC[N@@H+](CCCN3CCCC3)CC2)cc1 ZINC000362447527 428748572 /nfs/dbraw/zinc/74/85/72/428748572.db2.gz HDSWXMURZZHYBO-UHFFFAOYSA-N 1 3 312.461 2.556 20 30 DFEDHO CN(CCN(C)C1CC[NH+](C)CC1)CCC1(C#N)CCCCC1 ZINC000411411813 428794250 /nfs/dbraw/zinc/79/42/50/428794250.db2.gz WACMDTOLFNHVEH-UHFFFAOYSA-N 1 3 320.525 2.808 20 30 DFEDHO C=CCN(CC[C@@H]1CCC[NH2+]C1)Cc1cccc([N+](=O)[O-])c1 ZINC000420298507 428954163 /nfs/dbraw/zinc/95/41/63/428954163.db2.gz HKCAWXGYIDRNNN-HNNXBMFYSA-N 1 3 303.406 2.973 20 30 DFEDHO C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453371756 429146665 /nfs/dbraw/zinc/14/66/65/429146665.db2.gz UVPWPKPACQGKDM-MTQWCTHYSA-N 1 3 314.473 2.814 20 30 DFEDHO C[NH+](C)CCCC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000456174212 429252934 /nfs/dbraw/zinc/25/29/34/429252934.db2.gz RYRMKLQMIXJSOU-QGZVFWFLSA-N 1 3 315.461 2.996 20 30 DFEDHO C=CCN1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449849145 429524597 /nfs/dbraw/zinc/52/45/97/429524597.db2.gz MLHQHFNCJLYUMQ-GOSISDBHSA-N 1 3 319.493 2.550 20 30 DFEDHO C=CCN1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449849145 429524600 /nfs/dbraw/zinc/52/46/00/429524600.db2.gz MLHQHFNCJLYUMQ-GOSISDBHSA-N 1 3 319.493 2.550 20 30 DFEDHO COc1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1C#N ZINC000366950280 429545108 /nfs/dbraw/zinc/54/51/08/429545108.db2.gz FPZOGDPUAKUVEF-UHFFFAOYSA-N 1 3 313.445 2.875 20 30 DFEDHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000569660855 430473090 /nfs/dbraw/zinc/47/30/90/430473090.db2.gz DEVOXGRACCFSCU-IBGZPJMESA-N 1 3 314.477 2.627 20 30 DFEDHO CN(C)C(=[NH+]CC1CCN(Cc2ccccc2F)CC1)N(C)C ZINC000364209329 333273143 /nfs/dbraw/zinc/27/31/43/333273143.db2.gz VHPGYUPCBJCIIH-UHFFFAOYSA-N 1 3 320.456 2.517 20 30 DFEDHO C#CCOc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297299456 335152828 /nfs/dbraw/zinc/15/28/28/335152828.db2.gz BDVOHHRLTJYGCS-UHFFFAOYSA-N 1 3 321.424 2.852 20 30 DFEDHO CN(c1ccccc1CNCCCC#N)C1CC[NH+](C)CC1 ZINC000273076514 334042909 /nfs/dbraw/zinc/04/29/09/334042909.db2.gz PQSYHRDSFQGNKQ-UHFFFAOYSA-N 1 3 300.450 2.610 20 30 DFEDHO C=CCOCCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368364882 336843204 /nfs/dbraw/zinc/84/32/04/336843204.db2.gz NXYSJVUUFBIPRP-QGZVFWFLSA-N 1 3 316.445 2.767 20 30 DFEDHO CCN(CC)C(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000304772143 337003028 /nfs/dbraw/zinc/00/30/28/337003028.db2.gz AMFDXUJTUUWIHY-ZFWWWQNUSA-N 1 3 308.495 2.788 20 30 DFEDHO CN1CCC(C[NH2+][C@H]2CCC[C@H](C#N)C2)(N2CCCCC2)CC1 ZINC000185845600 337251985 /nfs/dbraw/zinc/25/19/85/337251985.db2.gz BZCPLKCIAYRMSE-ROUUACIJSA-N 1 3 318.509 2.609 20 30 DFEDHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@@H](C)O1 ZINC000429682695 338087251 /nfs/dbraw/zinc/08/72/51/338087251.db2.gz OBYVQLRZBXIMAE-ZAWLATJESA-N 1 3 319.493 2.890 20 30 DFEDHO C[N@H+](CCNC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000433345096 338193554 /nfs/dbraw/zinc/19/35/54/338193554.db2.gz VOGNCIYUHVKRBR-QGZVFWFLSA-N 1 3 313.445 2.750 20 30 DFEDHO C[N@@H+](CCNC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000433345096 338193555 /nfs/dbraw/zinc/19/35/55/338193555.db2.gz VOGNCIYUHVKRBR-QGZVFWFLSA-N 1 3 313.445 2.750 20 30 DFEDHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365307 338193941 /nfs/dbraw/zinc/19/39/41/338193941.db2.gz PENAVPTYMATETI-FGTMMUONSA-N 1 3 313.445 2.748 20 30 DFEDHO CC[NH+](CC)[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375283 338194150 /nfs/dbraw/zinc/19/41/50/338194150.db2.gz HGYLAODYUVQSFN-MSOLQXFVSA-N 1 3 313.445 2.702 20 30 DFEDHO Cc1ccc(NNC2=CC(=O)N(C(=O)OC(C)(C)C)C2C)[nH+]c1 ZINC000496192439 340000222 /nfs/dbraw/zinc/00/02/22/340000222.db2.gz DKLCWBBJQSUEQE-NSHDSACASA-N 1 3 318.377 2.714 20 30 DFEDHO N#Cc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173959133 198272597 /nfs/dbraw/zinc/27/25/97/198272597.db2.gz LIBKFMDEJNUWBR-UHFFFAOYSA-N 1 3 313.445 2.635 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC000591582709 398773742 /nfs/dbraw/zinc/77/37/42/398773742.db2.gz VFPFRDSTOVSKME-GOSISDBHSA-N 1 3 324.472 2.791 20 30 DFEDHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199633 283211064 /nfs/dbraw/zinc/21/10/64/283211064.db2.gz INUNXMOJVUGVRB-PBHICJAKSA-N 1 3 301.434 2.729 20 30 DFEDHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199633 283211066 /nfs/dbraw/zinc/21/10/66/283211066.db2.gz INUNXMOJVUGVRB-PBHICJAKSA-N 1 3 301.434 2.729 20 30 DFEDHO CC(C)(C#N)C[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000598588815 398837162 /nfs/dbraw/zinc/83/71/62/398837162.db2.gz LHPQOKDHWLUPHX-SFHVURJKSA-N 1 3 321.509 2.875 20 30 DFEDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599307886 398952387 /nfs/dbraw/zinc/95/23/87/398952387.db2.gz NTENRYRVWGSNKK-IBGZPJMESA-N 1 3 315.461 2.799 20 30 DFEDHO C[C@H](CCNC[C@H](O)CC1(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000600726696 399126086 /nfs/dbraw/zinc/12/60/86/399126086.db2.gz GSKONVXZGJCVSD-SJLPKXTDSA-N 1 3 315.461 2.541 20 30 DFEDHO C[C@H](CCNC[C@H](O)CC1(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000600726696 399126093 /nfs/dbraw/zinc/12/60/93/399126093.db2.gz GSKONVXZGJCVSD-SJLPKXTDSA-N 1 3 315.461 2.541 20 30 DFEDHO CC(C)[N@H+](C)CC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000609133468 399304787 /nfs/dbraw/zinc/30/47/87/399304787.db2.gz LOFNMZQJLXDHOP-UHFFFAOYSA-N 1 3 315.461 2.989 20 30 DFEDHO CC(C)[N@@H+](C)CC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000609133468 399304790 /nfs/dbraw/zinc/30/47/90/399304790.db2.gz LOFNMZQJLXDHOP-UHFFFAOYSA-N 1 3 315.461 2.989 20 30 DFEDHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(CC#N)CC3)CC2)C1 ZINC000610814026 399409238 /nfs/dbraw/zinc/40/92/38/399409238.db2.gz YYPNLNZQEJLBFP-VQIMIIECSA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC3CCN(CC#N)CC3)CC2)C1 ZINC000610814026 399409242 /nfs/dbraw/zinc/40/92/42/399409242.db2.gz YYPNLNZQEJLBFP-VQIMIIECSA-N 1 3 318.509 2.607 20 30 DFEDHO N#Cc1cccc(CNCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000602520088 399467124 /nfs/dbraw/zinc/46/71/24/399467124.db2.gz DBKPXOQNAQPUDG-UHFFFAOYSA-N 1 3 320.440 2.955 20 30 DFEDHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)CC1 ZINC000270185435 208248458 /nfs/dbraw/zinc/24/84/58/208248458.db2.gz CAWGBUREKRLLOO-MRXNPFEDSA-N 1 3 301.409 2.861 20 30 DFEDHO C[C@@H]1CCSCCN1CC#CC[N@@H+]1CCSCC[C@H]1C ZINC000625368549 399536455 /nfs/dbraw/zinc/53/64/55/399536455.db2.gz BJCMZTPIBOKVML-HZPDHXFCSA-N 1 3 312.548 2.645 20 30 DFEDHO C[C@@H]1CCSCCN1CC#CC[N@H+]1CCSCC[C@H]1C ZINC000625368549 399536458 /nfs/dbraw/zinc/53/64/58/399536458.db2.gz BJCMZTPIBOKVML-HZPDHXFCSA-N 1 3 312.548 2.645 20 30 DFEDHO C=CCC[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CC1 ZINC000271563464 209015262 /nfs/dbraw/zinc/01/52/62/209015262.db2.gz UTBHJLRRUTVUAQ-KRWDZBQOSA-N 1 3 303.450 2.856 20 30 DFEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000339072248 543139765 /nfs/dbraw/zinc/13/97/65/543139765.db2.gz VICIPBXDMHKHIE-CEXWTWQISA-N 1 3 305.510 2.901 20 30 DFEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000339072248 543139767 /nfs/dbraw/zinc/13/97/67/543139767.db2.gz VICIPBXDMHKHIE-CEXWTWQISA-N 1 3 305.510 2.901 20 30 DFEDHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358589129 158391628 /nfs/dbraw/zinc/39/16/28/158391628.db2.gz MHKGCJKCXRDLCR-UKRRQHHQSA-N 1 3 307.413 2.705 20 30 DFEDHO N#Cc1ccc2c(c1)[C@H](NCCC[NH2+]Cc1cccnc1)CC2 ZINC000423190251 270000793 /nfs/dbraw/zinc/00/07/93/270000793.db2.gz QTDUXEVLHWKMIJ-LJQANCHMSA-N 1 3 306.413 2.710 20 30 DFEDHO CN1CCC[C@H]1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000162941387 426084088 /nfs/dbraw/zinc/08/40/88/426084088.db2.gz FZOMGSRRVVAOPK-KRWDZBQOSA-N 1 3 313.445 2.886 20 30 DFEDHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000177691915 426506298 /nfs/dbraw/zinc/50/62/98/426506298.db2.gz RZOVTMDGMBPNMW-OKILXGFUSA-N 1 3 307.463 2.599 20 30 DFEDHO CC1CCN(C(=[NH2+])NC[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000195164947 426505410 /nfs/dbraw/zinc/50/54/10/426505410.db2.gz MTABEBPBSNUARE-GOSISDBHSA-N 1 3 314.477 2.555 20 30 DFEDHO C[C@@]1(CNC(=[NH2+])Nc2ccccn2)CCCN1Cc1ccccc1 ZINC000186876119 426602427 /nfs/dbraw/zinc/60/24/27/426602427.db2.gz WDMUQRYVLHMYOO-IBGZPJMESA-N 1 3 323.444 2.863 20 30 DFEDHO C#CCCOc1ccc(CNC[C@H](CC[NH+](C)C)OCC)cc1 ZINC000267842825 426886713 /nfs/dbraw/zinc/88/67/13/426886713.db2.gz BXSGVVZVAVNYGL-IBGZPJMESA-N 1 3 318.461 2.535 20 30 DFEDHO C[N@@H+]1CCC[C@H]2CN(CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030946 426975801 /nfs/dbraw/zinc/97/58/01/426975801.db2.gz QIJPNKVLDVVOMH-PKOBYXMFSA-N 1 3 313.445 2.743 20 30 DFEDHO C[N@H+]1CCC[C@H]2CN(CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030946 426975807 /nfs/dbraw/zinc/97/58/07/426975807.db2.gz QIJPNKVLDVVOMH-PKOBYXMFSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030946 426975814 /nfs/dbraw/zinc/97/58/14/426975814.db2.gz QIJPNKVLDVVOMH-PKOBYXMFSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030946 426975818 /nfs/dbraw/zinc/97/58/18/426975818.db2.gz QIJPNKVLDVVOMH-PKOBYXMFSA-N 1 3 313.445 2.743 20 30 DFEDHO Cn1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1C#N ZINC000190703916 427166199 /nfs/dbraw/zinc/16/61/99/427166199.db2.gz SPWVZZCJPQNBLH-UHFFFAOYSA-N 1 3 308.429 2.782 20 30 DFEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cc(C#N)n(C)c2)C1 ZINC000190773498 427178830 /nfs/dbraw/zinc/17/88/30/427178830.db2.gz WYTMNYHGQIBOMW-IYBDPMFKSA-N 1 3 302.466 2.744 20 30 DFEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cc(C#N)n(C)c2)C1 ZINC000190773498 427178838 /nfs/dbraw/zinc/17/88/38/427178838.db2.gz WYTMNYHGQIBOMW-IYBDPMFKSA-N 1 3 302.466 2.744 20 30 DFEDHO CCC1(CNC(=O)C(C)C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000338269127 427228944 /nfs/dbraw/zinc/22/89/44/427228944.db2.gz FUZKAVYWNYTKOI-MRXNPFEDSA-N 1 3 313.445 2.955 20 30 DFEDHO CC[NH+]=C(NCc1ccsc1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000261959905 427347478 /nfs/dbraw/zinc/34/74/78/427347478.db2.gz JXHILACDXXRCLL-HIFRSBDPSA-N 1 3 308.495 2.532 20 30 DFEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000271072572 427394991 /nfs/dbraw/zinc/39/49/91/427394991.db2.gz WBJYYUULFOIFPK-QGZVFWFLSA-N 1 3 321.509 2.629 20 30 DFEDHO CN(C)C(=[NH+]C[C@H]1CCCN(C)[C@H]1c1cccs1)N(C)C ZINC000262529619 427361090 /nfs/dbraw/zinc/36/10/90/427361090.db2.gz MTZLVQJLDPITHN-UKRRQHHQSA-N 1 3 308.495 2.610 20 30 DFEDHO CN1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)[C@H]1c1cccs1 ZINC000262513794 427361358 /nfs/dbraw/zinc/36/13/58/427361358.db2.gz FIRHPWKVODDJIN-OCCSQVGLSA-N 1 3 308.495 2.834 20 30 DFEDHO CN1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1cccs1 ZINC000262513790 427362275 /nfs/dbraw/zinc/36/22/75/427362275.db2.gz FIRHPWKVODDJIN-GXTWGEPZSA-N 1 3 308.495 2.834 20 30 DFEDHO CN1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000271304053 427488678 /nfs/dbraw/zinc/48/86/78/427488678.db2.gz POBQOKMYIUDFDF-KRWDZBQOSA-N 1 3 313.445 2.886 20 30 DFEDHO C[N@@H+]1CCC[C@@]2(CCN(CCCC3(C#N)CCOCC3)C2)C1 ZINC000339440548 427776145 /nfs/dbraw/zinc/77/61/45/427776145.db2.gz LKHJKMFBBKFWPT-GOSISDBHSA-N 1 3 305.466 2.505 20 30 DFEDHO C[N@H+]1CCC[C@@]2(CCN(CCCC3(C#N)CCOCC3)C2)C1 ZINC000339440548 427776146 /nfs/dbraw/zinc/77/61/46/427776146.db2.gz LKHJKMFBBKFWPT-GOSISDBHSA-N 1 3 305.466 2.505 20 30 DFEDHO C=CCC[C@@H](CCC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205216 428232659 /nfs/dbraw/zinc/23/26/59/428232659.db2.gz XCMAKZIIEHXMST-GOSISDBHSA-N 1 3 323.525 2.508 20 30 DFEDHO C[C@H]1C[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)CN1Cc1ccccc1 ZINC000373609106 428618673 /nfs/dbraw/zinc/61/86/73/428618673.db2.gz GBJIBJSGIDJURF-WMZOPIPTSA-N 1 3 322.456 2.897 20 30 DFEDHO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000422973558 429053013 /nfs/dbraw/zinc/05/30/13/429053013.db2.gz CCFROXCEIYLJLW-AWEZNQCLSA-N 1 3 302.466 2.540 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453379493 429146644 /nfs/dbraw/zinc/14/66/44/429146644.db2.gz ZLRRXHQDECEGAH-OLMNPRSZSA-N 1 3 304.434 2.621 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453348704 429147280 /nfs/dbraw/zinc/14/72/80/429147280.db2.gz IAJJYHNJGRWMCJ-OMZCGLGVSA-N 1 3 312.457 2.830 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000453348704 429147284 /nfs/dbraw/zinc/14/72/84/429147284.db2.gz IAJJYHNJGRWMCJ-OMZCGLGVSA-N 1 3 312.457 2.830 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453348704 429147290 /nfs/dbraw/zinc/14/72/90/429147290.db2.gz IAJJYHNJGRWMCJ-OMZCGLGVSA-N 1 3 312.457 2.830 20 30 DFEDHO CC(C)(C[NH+]1CCCC1)NC(=O)C(C#N)CCc1ccccc1 ZINC000457057202 429388531 /nfs/dbraw/zinc/38/85/31/429388531.db2.gz UWKAZFLMTRTTGW-QGZVFWFLSA-N 1 3 313.445 2.750 20 30 DFEDHO C[N@@H+]1CCC[C@H](CCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000458237376 429607132 /nfs/dbraw/zinc/60/71/32/429607132.db2.gz ZABTVSVYOOBXKJ-QZTJIDSGSA-N 1 3 313.445 2.607 20 30 DFEDHO C[N@H+]1CCC[C@H](CCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000458237376 429607136 /nfs/dbraw/zinc/60/71/36/429607136.db2.gz ZABTVSVYOOBXKJ-QZTJIDSGSA-N 1 3 313.445 2.607 20 30 DFEDHO CN(C[C@H](C#N)CCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886904 429736645 /nfs/dbraw/zinc/73/66/45/429736645.db2.gz RNCYUJWQFHKEFU-KRWDZBQOSA-N 1 3 311.433 2.673 20 30 DFEDHO C=CCN(CC=C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC000292048149 335087752 /nfs/dbraw/zinc/08/77/52/335087752.db2.gz YIDDLDPRMWGJSW-GOSISDBHSA-N 1 3 321.509 2.533 20 30 DFEDHO N#CCc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000583935478 430442845 /nfs/dbraw/zinc/44/28/45/430442845.db2.gz SCOPMLOLMIHKDO-UHFFFAOYSA-N 1 3 306.413 2.906 20 30 DFEDHO N#CCC[C@@H](C#N)CNCC1CC[NH+](Cc2cccs2)CC1 ZINC000554487766 430638118 /nfs/dbraw/zinc/63/81/18/430638118.db2.gz JPVWIIUJMDKSLU-INIZCTEOSA-N 1 3 316.474 2.993 20 30 DFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658143463 430823526 /nfs/dbraw/zinc/82/35/26/430823526.db2.gz YKXMOGJBAUNWEL-FRQCXROJSA-N 1 3 302.462 2.944 20 30 DFEDHO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000651755245 430867562 /nfs/dbraw/zinc/86/75/62/430867562.db2.gz FPEMHTUXTFBYGZ-RDJZCZTQSA-N 1 3 303.450 2.856 20 30 DFEDHO CN(Cc1ccc(N(C)CCC#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253757 332123155 /nfs/dbraw/zinc/12/31/55/332123155.db2.gz NGQYIPIHWWVSDT-SFHVURJKSA-N 1 3 314.477 2.810 20 30 DFEDHO CN(Cc1ccc(N(C)CCC#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253757 332123156 /nfs/dbraw/zinc/12/31/56/332123156.db2.gz NGQYIPIHWWVSDT-SFHVURJKSA-N 1 3 314.477 2.810 20 30 DFEDHO C=CCC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccco1 ZINC000560515969 332348951 /nfs/dbraw/zinc/34/89/51/332348951.db2.gz DTQNVZBSMXENSE-QGZVFWFLSA-N 1 3 305.466 2.904 20 30 DFEDHO C[NH+](C)CCOc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185784523 333214071 /nfs/dbraw/zinc/21/40/71/333214071.db2.gz LMYIDXFMDMJILD-WBVHZDCISA-N 1 3 301.434 2.799 20 30 DFEDHO C=C(C)CNC(=[NH2+])NCC1CCN(Cc2ccccc2F)CC1 ZINC000364209801 333272436 /nfs/dbraw/zinc/27/24/36/333272436.db2.gz XCCOYMSPTNGKFC-UHFFFAOYSA-N 1 3 318.440 2.728 20 30 DFEDHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000274209249 334057143 /nfs/dbraw/zinc/05/71/43/334057143.db2.gz NGIIQVDQGNZTBC-ZWKOTPCHSA-N 1 3 315.461 2.841 20 30 DFEDHO C=CCOc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414796309 334099635 /nfs/dbraw/zinc/09/96/35/334099635.db2.gz HLQWYWUJMZAISU-JKSUJKDBSA-N 1 3 304.434 2.867 20 30 DFEDHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1OCCCC#N ZINC000291801709 334182008 /nfs/dbraw/zinc/18/20/08/334182008.db2.gz XHRGEJQZFRDWJY-HNNXBMFYSA-N 1 3 319.449 2.665 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331387305 336134668 /nfs/dbraw/zinc/13/46/68/336134668.db2.gz LAYOGWSWHUBPLY-BZSNNMDCSA-N 1 3 311.429 2.502 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331387305 336134669 /nfs/dbraw/zinc/13/46/69/336134669.db2.gz LAYOGWSWHUBPLY-BZSNNMDCSA-N 1 3 311.429 2.502 20 30 DFEDHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1 ZINC000376166048 337028746 /nfs/dbraw/zinc/02/87/46/337028746.db2.gz KRWYLEWXYLGLMV-HCXYKTFWSA-N 1 3 319.493 2.938 20 30 DFEDHO C#Cc1ccc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000377645894 337057365 /nfs/dbraw/zinc/05/73/65/337057365.db2.gz IHUQCFSKNULNPH-UHFFFAOYSA-N 1 3 312.457 2.743 20 30 DFEDHO C#Cc1ccc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000377645894 337057366 /nfs/dbraw/zinc/05/73/66/337057366.db2.gz IHUQCFSKNULNPH-UHFFFAOYSA-N 1 3 312.457 2.743 20 30 DFEDHO CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CCC[C@H](C#N)C2)[C@H](C)C1 ZINC000185826059 337250501 /nfs/dbraw/zinc/25/05/01/337250501.db2.gz YDLRNJNJAJRCKV-XMTFNYHQSA-N 1 3 307.482 2.795 20 30 DFEDHO CCOCCC[N@H+]1CC[C@@H](N[C@@H]2CCC[C@H](C#N)C2)[C@H](C)C1 ZINC000185826059 337250502 /nfs/dbraw/zinc/25/05/02/337250502.db2.gz YDLRNJNJAJRCKV-XMTFNYHQSA-N 1 3 307.482 2.795 20 30 DFEDHO CC1(C)CC[C@@H]1NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000263172261 337625006 /nfs/dbraw/zinc/62/50/06/337625006.db2.gz RZLKIPHREVQVBD-KRWDZBQOSA-N 1 3 314.477 2.744 20 30 DFEDHO CCC[N@H+](CC)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000428510750 338055073 /nfs/dbraw/zinc/05/50/73/338055073.db2.gz QWTXVMMJFFRAPD-WMZOPIPTSA-N 1 3 315.461 2.996 20 30 DFEDHO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000428510750 338055074 /nfs/dbraw/zinc/05/50/74/338055074.db2.gz QWTXVMMJFFRAPD-WMZOPIPTSA-N 1 3 315.461 2.996 20 30 DFEDHO CC[NH+](CC)[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375285 338194232 /nfs/dbraw/zinc/19/42/32/338194232.db2.gz HGYLAODYUVQSFN-ROUUACIJSA-N 1 3 313.445 2.702 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439843175 338379361 /nfs/dbraw/zinc/37/93/61/338379361.db2.gz QHHGUDDQMYRVHR-SFHVURJKSA-N 1 3 319.493 2.550 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439843175 338379362 /nfs/dbraw/zinc/37/93/62/338379362.db2.gz QHHGUDDQMYRVHR-SFHVURJKSA-N 1 3 319.493 2.550 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453379494 338834858 /nfs/dbraw/zinc/83/48/58/338834858.db2.gz ZLRRXHQDECEGAH-QGTPRVQTSA-N 1 3 304.434 2.621 20 30 DFEDHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000278645764 214299990 /nfs/dbraw/zinc/29/99/90/214299990.db2.gz SMHVLGDYAJQXHL-HOTGVXAUSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000278645764 214299992 /nfs/dbraw/zinc/29/99/92/214299992.db2.gz SMHVLGDYAJQXHL-HOTGVXAUSA-N 1 3 301.434 2.710 20 30 DFEDHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCC1(C#N)CCOCC1)C2 ZINC000595505581 398952456 /nfs/dbraw/zinc/95/24/56/398952456.db2.gz WKMVWMCTKBHXFV-SFHVURJKSA-N 1 3 305.466 2.505 20 30 DFEDHO C[N@H+]1CC[C@]2(C1)CCCN(CCCC1(C#N)CCOCC1)C2 ZINC000595505581 398952459 /nfs/dbraw/zinc/95/24/59/398952459.db2.gz WKMVWMCTKBHXFV-SFHVURJKSA-N 1 3 305.466 2.505 20 30 DFEDHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000305818975 296121956 /nfs/dbraw/zinc/12/19/56/296121956.db2.gz NSVKPZRQHAXOPL-GDBMZVCRSA-N 1 3 319.424 2.585 20 30 DFEDHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000305818975 296121957 /nfs/dbraw/zinc/12/19/57/296121957.db2.gz NSVKPZRQHAXOPL-GDBMZVCRSA-N 1 3 319.424 2.585 20 30 DFEDHO C=CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccco1 ZINC000285874907 335027277 /nfs/dbraw/zinc/02/72/77/335027277.db2.gz ZEICXEUMSFBBEC-QGZVFWFLSA-N 1 3 305.466 2.904 20 30 DFEDHO N#Cc1cccc(OCCN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000051907949 425883549 /nfs/dbraw/zinc/88/35/49/425883549.db2.gz FIMZNKHLJWNJSN-UHFFFAOYSA-N 1 3 313.445 2.745 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000602517260 399466527 /nfs/dbraw/zinc/46/65/27/399466527.db2.gz DMYGCWLEHILQFG-OAHLLOKOSA-N 1 3 305.466 2.549 20 30 DFEDHO CC(C)(O)CN1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000602579596 399481408 /nfs/dbraw/zinc/48/14/08/399481408.db2.gz BLAONTIGXMZLHR-SFHVURJKSA-N 1 3 315.461 2.856 20 30 DFEDHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027930 158156741 /nfs/dbraw/zinc/15/67/41/158156741.db2.gz PREPRRHQQQCTPF-IEBWSBKVSA-N 1 3 313.445 2.743 20 30 DFEDHO C[N@H+]1CCC[C@@H]2CN(CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027930 158156743 /nfs/dbraw/zinc/15/67/43/158156743.db2.gz PREPRRHQQQCTPF-IEBWSBKVSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027930 158156745 /nfs/dbraw/zinc/15/67/45/158156745.db2.gz PREPRRHQQQCTPF-IEBWSBKVSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027930 158156746 /nfs/dbraw/zinc/15/67/46/158156746.db2.gz PREPRRHQQQCTPF-IEBWSBKVSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@@H]1CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528779564 267336677 /nfs/dbraw/zinc/33/66/77/267336677.db2.gz VVKBGMLKUAHCBC-GOSISDBHSA-N 1 3 313.445 2.638 20 30 DFEDHO COc1ccc(NC(=[NH2+])NC[C@H]2CCCN2CC(C)C)cc1 ZINC000130829968 426162537 /nfs/dbraw/zinc/16/25/37/426162537.db2.gz OMPHWRRBBQLHHL-OAHLLOKOSA-N 1 3 304.438 2.542 20 30 DFEDHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccc(OCC#N)cc1 ZINC000171141916 426172104 /nfs/dbraw/zinc/17/21/04/426172104.db2.gz CHTSEAJWLRMTHL-JKSUJKDBSA-N 1 3 301.434 2.971 20 30 DFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000247296074 426924047 /nfs/dbraw/zinc/92/40/47/426924047.db2.gz UNWVOXKHDMNLQF-LPHOPBHVSA-N 1 3 315.461 2.785 20 30 DFEDHO C[C@H](c1cccc(C#N)c1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000189976908 426991992 /nfs/dbraw/zinc/99/19/92/426991992.db2.gz RDSCGYZILKFRKX-MRXNPFEDSA-N 1 3 314.477 2.577 20 30 DFEDHO C[C@H](c1cccc(C#N)c1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000189976908 426991997 /nfs/dbraw/zinc/99/19/97/426991997.db2.gz RDSCGYZILKFRKX-MRXNPFEDSA-N 1 3 314.477 2.577 20 30 DFEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000276584473 427107267 /nfs/dbraw/zinc/10/72/67/427107267.db2.gz CHAOJYRFBRWUPH-OXJNMPFZSA-N 1 3 322.456 2.897 20 30 DFEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000276584473 427107272 /nfs/dbraw/zinc/10/72/72/427107272.db2.gz CHAOJYRFBRWUPH-OXJNMPFZSA-N 1 3 322.456 2.897 20 30 DFEDHO CC(C)(C)NC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264077170 427652045 /nfs/dbraw/zinc/65/20/45/427652045.db2.gz GCTFJLNUQUEYIM-UHFFFAOYSA-N 1 3 308.495 2.663 20 30 DFEDHO CC(C)N(CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C(C)C ZINC000304464169 427938500 /nfs/dbraw/zinc/93/85/00/427938500.db2.gz AIWJHHDLFQTZSJ-MRXNPFEDSA-N 1 3 318.465 2.533 20 30 DFEDHO C[C@@H]1CN(CCCC[NH2+]C2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000449103604 429333031 /nfs/dbraw/zinc/33/30/31/429333031.db2.gz RANFZXYNQVBILS-OQSMONGASA-N 1 3 307.482 2.938 20 30 DFEDHO CN(Cc1ccc(C#N)o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368813978 429895824 /nfs/dbraw/zinc/89/58/24/429895824.db2.gz MZXAFVUHWADIHB-UHFFFAOYSA-N 1 3 310.401 2.895 20 30 DFEDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1cccc(C#N)c1 ZINC000369343476 429926086 /nfs/dbraw/zinc/92/60/86/429926086.db2.gz NOROFNKFSNJGNM-ATZDWAIDSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1cccc(C#N)c1 ZINC000369343476 429926090 /nfs/dbraw/zinc/92/60/90/429926090.db2.gz NOROFNKFSNJGNM-ATZDWAIDSA-N 1 3 313.445 2.537 20 30 DFEDHO C=CC[C@]1(C(=O)Nc2cc(CN(C)C)ccc2C)CCC[NH2+]1 ZINC000662747538 431185311 /nfs/dbraw/zinc/18/53/11/431185311.db2.gz XJWUYVOLJQEVFU-GOSISDBHSA-N 1 3 301.434 2.693 20 30 DFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(C)oc2ccccc21 ZINC000184824468 335090101 /nfs/dbraw/zinc/09/01/01/335090101.db2.gz LKCCQMQSIWYWFZ-AWEZNQCLSA-N 1 3 314.433 2.630 20 30 DFEDHO C=CCCCCCN(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000150892023 332197939 /nfs/dbraw/zinc/19/79/39/332197939.db2.gz AAONBVRFMDJDOX-UHFFFAOYSA-N 1 3 309.498 2.654 20 30 DFEDHO C[C@@H](CCNC(=[NH2+])Nc1ccccn1)N(C)Cc1ccccc1 ZINC000176968761 333123009 /nfs/dbraw/zinc/12/30/09/333123009.db2.gz OYVUXBASYHMBNM-HNNXBMFYSA-N 1 3 311.433 2.719 20 30 DFEDHO CC(C)(CCC#N)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000180996520 333166584 /nfs/dbraw/zinc/16/65/84/333166584.db2.gz ZIYRDENRZUVVPK-GOSISDBHSA-N 1 3 315.461 2.673 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415914273 334628175 /nfs/dbraw/zinc/62/81/75/334628175.db2.gz VRKGMDPJPIEJQI-UHFFFAOYSA-N 1 3 316.449 2.568 20 30 DFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)C(C)C ZINC000346121172 335376199 /nfs/dbraw/zinc/37/61/99/335376199.db2.gz FCBILZLWEBGPHM-OKZBNKHCSA-N 1 3 321.509 2.674 20 30 DFEDHO C#Cc1ccc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000377650714 337057464 /nfs/dbraw/zinc/05/74/64/337057464.db2.gz NTNWHCTXHDRLSI-LSTHTHJFSA-N 1 3 312.457 2.647 20 30 DFEDHO C#Cc1ccc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000377650714 337057465 /nfs/dbraw/zinc/05/74/65/337057465.db2.gz NTNWHCTXHDRLSI-LSTHTHJFSA-N 1 3 312.457 2.647 20 30 DFEDHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185802479 337250412 /nfs/dbraw/zinc/25/04/12/337250412.db2.gz VEWOEJZBTDJJMP-DOTOQJQBSA-N 1 3 301.434 2.799 20 30 DFEDHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@@H](C)O1 ZINC000429682693 338087204 /nfs/dbraw/zinc/08/72/04/338087204.db2.gz OBYVQLRZBXIMAE-PSBWJHGTSA-N 1 3 319.493 2.890 20 30 DFEDHO C[C@@H](NCC1(CC#N)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000430751615 338113734 /nfs/dbraw/zinc/11/37/34/338113734.db2.gz XWKGTWNFKLVLOX-OAHLLOKOSA-N 1 3 301.434 2.971 20 30 DFEDHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433472754 338195442 /nfs/dbraw/zinc/19/54/42/338195442.db2.gz VBXJNTIVNNZBHN-BPQIPLTHSA-N 1 3 313.445 2.558 20 30 DFEDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433472754 338195443 /nfs/dbraw/zinc/19/54/43/338195443.db2.gz VBXJNTIVNNZBHN-BPQIPLTHSA-N 1 3 313.445 2.558 20 30 DFEDHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(C#N)cc1 ZINC000278341070 214100219 /nfs/dbraw/zinc/10/02/19/214100219.db2.gz XKPWFIIMVMAGTQ-LJQANCHMSA-N 1 3 314.477 2.627 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](n2ccnc2C)C1 ZINC000591906703 398350136 /nfs/dbraw/zinc/35/01/36/398350136.db2.gz REHVONVJUXXMQI-WBVHZDCISA-N 1 3 318.465 2.642 20 30 DFEDHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000181775287 199350569 /nfs/dbraw/zinc/35/05/69/199350569.db2.gz DKNACXOQAXRCPK-RDJZCZTQSA-N 1 3 313.445 2.710 20 30 DFEDHO C[C@@H](CCNC[C@H](O)CC(C)(C)C#N)[N@H+](C)Cc1ccccc1 ZINC000598722232 398861498 /nfs/dbraw/zinc/86/14/98/398861498.db2.gz ZIKOHCJJEIZKTM-FUHWJXTLSA-N 1 3 317.477 2.787 20 30 DFEDHO C[C@@H](CCNC[C@H](O)CC(C)(C)C#N)[N@@H+](C)Cc1ccccc1 ZINC000598722232 398861500 /nfs/dbraw/zinc/86/15/00/398861500.db2.gz ZIKOHCJJEIZKTM-FUHWJXTLSA-N 1 3 317.477 2.787 20 30 DFEDHO C[C@H](CCNC[C@H](O)CC(C)(C)C#N)[N@H+](C)Cc1ccccc1 ZINC000598722234 398861737 /nfs/dbraw/zinc/86/17/37/398861737.db2.gz ZIKOHCJJEIZKTM-SJLPKXTDSA-N 1 3 317.477 2.787 20 30 DFEDHO C[C@H](CCNC[C@H](O)CC(C)(C)C#N)[N@@H+](C)Cc1ccccc1 ZINC000598722234 398861738 /nfs/dbraw/zinc/86/17/38/398861738.db2.gz ZIKOHCJJEIZKTM-SJLPKXTDSA-N 1 3 317.477 2.787 20 30 DFEDHO N#CC1(C[C@@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000599268046 398945990 /nfs/dbraw/zinc/94/59/90/398945990.db2.gz WWQXFCWKRCVHBI-GOSISDBHSA-N 1 3 319.493 2.629 20 30 DFEDHO C[N@@H+]1CCCC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600313135 399031047 /nfs/dbraw/zinc/03/10/47/399031047.db2.gz IBKDKMUWXRJBAG-ZWKOTPCHSA-N 1 3 313.445 2.607 20 30 DFEDHO C[N@H+]1CCCC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600313135 399031052 /nfs/dbraw/zinc/03/10/52/399031052.db2.gz IBKDKMUWXRJBAG-ZWKOTPCHSA-N 1 3 313.445 2.607 20 30 DFEDHO CCCN1CCC([N@H+](C)CCOc2cccc(C#N)c2)CC1 ZINC000109786139 194284292 /nfs/dbraw/zinc/28/42/92/194284292.db2.gz YELNNLOLIAITTL-UHFFFAOYSA-N 1 3 301.434 2.743 20 30 DFEDHO CCCN1CCC([N@@H+](C)CCOc2cccc(C#N)c2)CC1 ZINC000109786139 194284294 /nfs/dbraw/zinc/28/42/94/194284294.db2.gz YELNNLOLIAITTL-UHFFFAOYSA-N 1 3 301.434 2.743 20 30 DFEDHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2CCN(CC#N)CC2)CC1 ZINC000610813302 399409037 /nfs/dbraw/zinc/40/90/37/399409037.db2.gz CCPVWGVIGNSNIQ-VQIMIIECSA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000610813302 399409041 /nfs/dbraw/zinc/40/90/41/399409041.db2.gz CCPVWGVIGNSNIQ-VQIMIIECSA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000602499744 399461145 /nfs/dbraw/zinc/46/11/45/399461145.db2.gz LMVZFVXRMRIQMD-INIZCTEOSA-N 1 3 315.461 2.673 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[NH+]1CCC(C)CC1 ZINC000602503536 399462714 /nfs/dbraw/zinc/46/27/14/399462714.db2.gz QAJMTNRNIQUPTL-QGZVFWFLSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCC(C)CC1 ZINC000602503536 399462718 /nfs/dbraw/zinc/46/27/18/399462718.db2.gz QAJMTNRNIQUPTL-QGZVFWFLSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cccc(C#N)n2)C1 ZINC000602515474 399465490 /nfs/dbraw/zinc/46/54/90/399465490.db2.gz WBAICLLVCLKQCS-IYBDPMFKSA-N 1 3 300.450 2.801 20 30 DFEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cccc(C#N)n2)C1 ZINC000602515474 399465494 /nfs/dbraw/zinc/46/54/94/399465494.db2.gz WBAICLLVCLKQCS-IYBDPMFKSA-N 1 3 300.450 2.801 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000602715909 399535619 /nfs/dbraw/zinc/53/56/19/399535619.db2.gz PVGZMACMUCKONQ-FUHWJXTLSA-N 1 3 319.493 2.797 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000602715909 399535622 /nfs/dbraw/zinc/53/56/22/399535622.db2.gz PVGZMACMUCKONQ-FUHWJXTLSA-N 1 3 319.493 2.797 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000602715909 399535630 /nfs/dbraw/zinc/53/56/30/399535630.db2.gz PVGZMACMUCKONQ-FUHWJXTLSA-N 1 3 319.493 2.797 20 30 DFEDHO C#Cc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000290407668 335073339 /nfs/dbraw/zinc/07/33/39/335073339.db2.gz PZBGEGKNQIJTPD-WOJBJXKFSA-N 1 3 312.457 2.525 20 30 DFEDHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000062252943 425899906 /nfs/dbraw/zinc/89/99/06/425899906.db2.gz MXCWTLSECAJTKO-HOTGVXAUSA-N 1 3 301.434 2.537 20 30 DFEDHO N#Cc1ccccc1CSCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422997619 269974756 /nfs/dbraw/zinc/97/47/56/269974756.db2.gz VAKLWDZDXQTORB-WBVHZDCISA-N 1 3 303.475 2.899 20 30 DFEDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488440664 267059227 /nfs/dbraw/zinc/05/92/27/267059227.db2.gz BSTNECCSRDSRJW-IBGZPJMESA-N 1 3 315.461 2.799 20 30 DFEDHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)CN1CCCC1 ZINC000171141912 426172406 /nfs/dbraw/zinc/17/24/06/426172406.db2.gz CHTSEAJWLRMTHL-CVEARBPZSA-N 1 3 301.434 2.971 20 30 DFEDHO CC[NH+]=C(NCc1ccsc1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000261959907 427348107 /nfs/dbraw/zinc/34/81/07/427348107.db2.gz JXHILACDXXRCLL-ZFWWWQNUSA-N 1 3 308.495 2.532 20 30 DFEDHO C=CCC[C@H](CC)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000271511663 427567586 /nfs/dbraw/zinc/56/75/86/427567586.db2.gz OUJPEGMHAPTTSL-SFHVURJKSA-N 1 3 317.477 2.812 20 30 DFEDHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271946366 427600275 /nfs/dbraw/zinc/60/02/75/427600275.db2.gz NMBSZZIZLBFDBE-CZUORRHYSA-N 1 3 307.413 2.705 20 30 DFEDHO N#C[C@H]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000349820674 427871380 /nfs/dbraw/zinc/87/13/80/427871380.db2.gz GQTFNIQYFRRLGM-ROUUACIJSA-N 1 3 313.445 2.943 20 30 DFEDHO C[NH+](C)CCCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000349822719 427873784 /nfs/dbraw/zinc/87/37/84/427873784.db2.gz QPWGNDWPUWYLEJ-IRXDYDNUSA-N 1 3 301.434 2.799 20 30 DFEDHO C=CCC[C@H](CCC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205217 428232928 /nfs/dbraw/zinc/23/29/28/428232928.db2.gz XCMAKZIIEHXMST-SFHVURJKSA-N 1 3 323.525 2.508 20 30 DFEDHO C=CCOc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346850787 428345683 /nfs/dbraw/zinc/34/56/83/428345683.db2.gz IBNQAINRRZGESZ-BBWFWOEESA-N 1 3 316.445 2.819 20 30 DFEDHO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC000362809845 428806941 /nfs/dbraw/zinc/80/69/41/428806941.db2.gz VRQFMXYAUZVZCQ-UHFFFAOYSA-N 1 3 315.461 2.519 20 30 DFEDHO CCCC[C@@H](C[NH3+])NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423300854 429060309 /nfs/dbraw/zinc/06/03/09/429060309.db2.gz SGMFRZJPAIESBJ-IBGZPJMESA-N 1 3 314.477 2.630 20 30 DFEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C(C)C ZINC000449324225 429387407 /nfs/dbraw/zinc/38/74/07/429387407.db2.gz DIXIZCAIOXBYEU-OKZBNKHCSA-N 1 3 321.509 2.709 20 30 DFEDHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427482964 429453496 /nfs/dbraw/zinc/45/34/96/429453496.db2.gz ABMIJVVSXSPRDP-WBVHZDCISA-N 1 3 301.434 2.604 20 30 DFEDHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427482964 429453498 /nfs/dbraw/zinc/45/34/98/429453498.db2.gz ABMIJVVSXSPRDP-WBVHZDCISA-N 1 3 301.434 2.604 20 30 DFEDHO N#Cc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000518514620 429424942 /nfs/dbraw/zinc/42/49/42/429424942.db2.gz BFTISHLLTLIGEJ-GUDVDZBRSA-N 1 3 313.445 2.837 20 30 DFEDHO CC#CC[C@@H](CO)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000641767272 430467548 /nfs/dbraw/zinc/46/75/48/430467548.db2.gz ICEFQUIVZXVHEY-SFHVURJKSA-N 1 3 302.462 2.509 20 30 DFEDHO CC#CC[C@@H](CO)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000641767272 430467551 /nfs/dbraw/zinc/46/75/51/430467551.db2.gz ICEFQUIVZXVHEY-SFHVURJKSA-N 1 3 302.462 2.509 20 30 DFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000657881864 430759765 /nfs/dbraw/zinc/75/97/65/430759765.db2.gz ZCORYLYHDRHJPH-LMMKCTJWSA-N 1 3 305.510 2.879 20 30 DFEDHO C=C(C)[C@@H](CO)[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000649406907 431091750 /nfs/dbraw/zinc/09/17/50/431091750.db2.gz DLYBVGXWACJGSX-GOSISDBHSA-N 1 3 303.450 2.557 20 30 DFEDHO C=C(C)[C@@H](CO)[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000649406907 431091753 /nfs/dbraw/zinc/09/17/53/431091753.db2.gz DLYBVGXWACJGSX-GOSISDBHSA-N 1 3 303.450 2.557 20 30 DFEDHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185784374 333213928 /nfs/dbraw/zinc/21/39/28/333213928.db2.gz DZVNFSXAVISSCN-DLBZAZTESA-N 1 3 301.434 2.799 20 30 DFEDHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185784417 333214174 /nfs/dbraw/zinc/21/41/74/333214174.db2.gz DZVNFSXAVISSCN-IAGOWNOFSA-N 1 3 301.434 2.799 20 30 DFEDHO C=CCCCC[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414200529 333913401 /nfs/dbraw/zinc/91/34/01/333913401.db2.gz RYPYYGDXQPQEQM-GOSISDBHSA-N 1 3 323.525 2.508 20 30 DFEDHO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684270 334068408 /nfs/dbraw/zinc/06/84/08/334068408.db2.gz CYRLGOGFRWGYIE-GDBMZVCRSA-N 1 3 303.406 2.971 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000343576269 335178938 /nfs/dbraw/zinc/17/89/38/335178938.db2.gz GJXLCRYMXUPPEY-QGZVFWFLSA-N 1 3 323.525 2.853 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000343576268 335178951 /nfs/dbraw/zinc/17/89/51/335178951.db2.gz GJXLCRYMXUPPEY-KRWDZBQOSA-N 1 3 323.525 2.853 20 30 DFEDHO CCC[N@H+](CCCC(C)(C)C#N)CCN1CCN(CC)CC1 ZINC000344160127 335226147 /nfs/dbraw/zinc/22/61/47/335226147.db2.gz XMXWJVOITZSENG-UHFFFAOYSA-N 1 3 308.514 2.666 20 30 DFEDHO CCC[N@@H+](CCCC(C)(C)C#N)CCN1CCN(CC)CC1 ZINC000344160127 335226149 /nfs/dbraw/zinc/22/61/49/335226149.db2.gz XMXWJVOITZSENG-UHFFFAOYSA-N 1 3 308.514 2.666 20 30 DFEDHO CC(C#N)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000345819169 335353135 /nfs/dbraw/zinc/35/31/35/335353135.db2.gz SBLCBHIJFBAIKT-BZUAXINKSA-N 1 3 313.445 2.940 20 30 DFEDHO CCCN1CCN(C2CC[NH+](CCCC(C)(C)C#N)CC2)CC1 ZINC000377930046 337064180 /nfs/dbraw/zinc/06/41/80/337064180.db2.gz BTSLDWAPUKBKQI-UHFFFAOYSA-N 1 3 320.525 2.808 20 30 DFEDHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185802531 337250389 /nfs/dbraw/zinc/25/03/89/337250389.db2.gz VEWOEJZBTDJJMP-WBVHZDCISA-N 1 3 301.434 2.799 20 30 DFEDHO CCO[C@H](CC[NH+](C)C)CNC1CC(C#N)(c2ccccc2)C1 ZINC000127599766 337421527 /nfs/dbraw/zinc/42/15/27/337421527.db2.gz PKKXSPZOQNLGFR-JLAWEPINSA-N 1 3 315.461 2.557 20 30 DFEDHO C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+]1CCCC1 ZINC000433315384 338191714 /nfs/dbraw/zinc/19/17/14/338191714.db2.gz YDSSIKPHTIFSLS-FUHWJXTLSA-N 1 3 313.445 2.607 20 30 DFEDHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365422 338193815 /nfs/dbraw/zinc/19/38/15/338193815.db2.gz PVUIPZOINLMGQV-ZWKOTPCHSA-N 1 3 313.445 2.559 20 30 DFEDHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365422 338193816 /nfs/dbraw/zinc/19/38/16/338193816.db2.gz PVUIPZOINLMGQV-ZWKOTPCHSA-N 1 3 313.445 2.559 20 30 DFEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786300 398673595 /nfs/dbraw/zinc/67/35/95/398673595.db2.gz OEUVBHCDHGJKMZ-KRWDZBQOSA-N 1 3 321.509 2.628 20 30 DFEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786300 398673598 /nfs/dbraw/zinc/67/35/98/398673598.db2.gz OEUVBHCDHGJKMZ-KRWDZBQOSA-N 1 3 321.509 2.628 20 30 DFEDHO CC[NH+](CC)CC1CCN(CCOc2ccccc2C#N)CC1 ZINC000052441503 398840126 /nfs/dbraw/zinc/84/01/26/398840126.db2.gz KDCKPWUBUFLJPO-UHFFFAOYSA-N 1 3 315.461 2.991 20 30 DFEDHO COc1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1C#N ZINC000594735632 398851640 /nfs/dbraw/zinc/85/16/40/398851640.db2.gz LVUQOPNWJJWISD-GOSISDBHSA-N 1 3 313.445 2.778 20 30 DFEDHO CC[NH+](CC)Cc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598715220 398859881 /nfs/dbraw/zinc/85/98/81/398859881.db2.gz NEKWJKCKFZLGDF-GOSISDBHSA-N 1 3 317.477 2.919 20 30 DFEDHO C[C@@H](CCNC[C@@H](O)CC(C)(C)C#N)[N@H+](C)Cc1ccccc1 ZINC000598722236 398861640 /nfs/dbraw/zinc/86/16/40/398861640.db2.gz ZIKOHCJJEIZKTM-WMZOPIPTSA-N 1 3 317.477 2.787 20 30 DFEDHO C[C@@H](CCNC[C@@H](O)CC(C)(C)C#N)[N@@H+](C)Cc1ccccc1 ZINC000598722236 398861642 /nfs/dbraw/zinc/86/16/42/398861642.db2.gz ZIKOHCJJEIZKTM-WMZOPIPTSA-N 1 3 317.477 2.787 20 30 DFEDHO N#Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000594969070 398884028 /nfs/dbraw/zinc/88/40/28/398884028.db2.gz MBYSWTNRANXMMW-UHFFFAOYSA-N 1 3 320.440 2.955 20 30 DFEDHO CN1CCC[C@@H]1CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595764151 399075873 /nfs/dbraw/zinc/07/58/73/399075873.db2.gz FFVULDPQWHTBER-GOSISDBHSA-N 1 3 313.445 2.638 20 30 DFEDHO C#CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000283354637 335003851 /nfs/dbraw/zinc/00/38/51/335003851.db2.gz RGRVUEJZJOFGLX-HXUWFJFHSA-N 1 3 313.489 2.757 20 30 DFEDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600717942 399123173 /nfs/dbraw/zinc/12/31/73/399123173.db2.gz UJGGSZHFDFFJGS-GOSISDBHSA-N 1 3 315.461 2.671 20 30 DFEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600717942 399123175 /nfs/dbraw/zinc/12/31/75/399123175.db2.gz UJGGSZHFDFFJGS-GOSISDBHSA-N 1 3 315.461 2.671 20 30 DFEDHO C=CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccco1 ZINC000285874903 335027322 /nfs/dbraw/zinc/02/73/22/335027322.db2.gz ZEICXEUMSFBBEC-KRWDZBQOSA-N 1 3 305.466 2.904 20 30 DFEDHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000619720730 399382083 /nfs/dbraw/zinc/38/20/83/399382083.db2.gz RAHBYQPNPSOHLM-KRWDZBQOSA-N 1 3 314.477 2.625 20 30 DFEDHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cccc(C#N)n2)C1 ZINC000602515472 399465886 /nfs/dbraw/zinc/46/58/86/399465886.db2.gz WBAICLLVCLKQCS-HOTGVXAUSA-N 1 3 300.450 2.801 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NCc1cccc(C[NH+](C)C)c1 ZINC000602589960 399485263 /nfs/dbraw/zinc/48/52/63/399485263.db2.gz ACPOIANOMQWKAT-MRXNPFEDSA-N 1 3 315.461 2.937 20 30 DFEDHO CN(CCC#N)c1ccc(C[NH2+]CCCN2CCCC2)cc1 ZINC000066236713 542457543 /nfs/dbraw/zinc/45/75/43/542457543.db2.gz GMMIDESFZMDMNV-UHFFFAOYSA-N 1 3 300.450 2.612 20 30 DFEDHO C=CCN(CC(=O)NC1CC[NH+](CC)CC1)CC1CCCCC1 ZINC000070015977 425966593 /nfs/dbraw/zinc/96/65/93/425966593.db2.gz PDMXWECSYLITQR-UHFFFAOYSA-N 1 3 321.509 2.655 20 30 DFEDHO CN1CCC[C@@H]1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000162941286 426084263 /nfs/dbraw/zinc/08/42/63/426084263.db2.gz FZOMGSRRVVAOPK-QGZVFWFLSA-N 1 3 313.445 2.886 20 30 DFEDHO C=CCC[C@@H](O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000130097301 426146612 /nfs/dbraw/zinc/14/66/12/426146612.db2.gz DDKROTYOFIZECG-GOSISDBHSA-N 1 3 303.450 2.557 20 30 DFEDHO C=CCC[C@@H](O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000130097301 426146615 /nfs/dbraw/zinc/14/66/15/426146615.db2.gz DDKROTYOFIZECG-GOSISDBHSA-N 1 3 303.450 2.557 20 30 DFEDHO CC(C)CNC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262422116 427358794 /nfs/dbraw/zinc/35/87/94/427358794.db2.gz RCHLRYIDMUYIJQ-UKRRQHHQSA-N 1 3 308.495 2.691 20 30 DFEDHO CC(C)(C)NC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000264090751 427654332 /nfs/dbraw/zinc/65/43/32/427654332.db2.gz KXVDAPGOGNHTRP-ZDUSSCGKSA-N 1 3 308.495 2.663 20 30 DFEDHO CCCN(C)C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337170004 427808577 /nfs/dbraw/zinc/80/85/77/427808577.db2.gz DVOVVRYRVNTLOC-KRWDZBQOSA-N 1 3 307.482 2.751 20 30 DFEDHO CCCN(C)C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337170004 427808578 /nfs/dbraw/zinc/80/85/78/427808578.db2.gz DVOVVRYRVNTLOC-KRWDZBQOSA-N 1 3 307.482 2.751 20 30 DFEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000356835848 428332735 /nfs/dbraw/zinc/33/27/35/428332735.db2.gz CRCXMGXBZYZUIB-LWYYNNOASA-N 1 3 314.473 2.671 20 30 DFEDHO C=CCOc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346850790 428345360 /nfs/dbraw/zinc/34/53/60/428345360.db2.gz IBNQAINRRZGESZ-YESZJQIVSA-N 1 3 316.445 2.819 20 30 DFEDHO C[NH+](C)C1(CNC(=O)C(C#N)CCc2ccccc2)CCCC1 ZINC000343074078 428514529 /nfs/dbraw/zinc/51/45/29/428514529.db2.gz UYBOPMGSJXCIFS-QGZVFWFLSA-N 1 3 313.445 2.750 20 30 DFEDHO C=CCN1CCC(NC(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000415909905 428624998 /nfs/dbraw/zinc/62/49/98/428624998.db2.gz URYCUROAVPNREL-UHFFFAOYSA-N 1 3 316.449 2.568 20 30 DFEDHO C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000424325502 429126160 /nfs/dbraw/zinc/12/61/60/429126160.db2.gz LERAGYBVEGRLHE-HLLBOEOZSA-N 1 3 301.434 2.970 20 30 DFEDHO C[NH+]1CCC2(CCCN(Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000376670332 429157067 /nfs/dbraw/zinc/15/70/67/429157067.db2.gz GWSWPSFQRPSZNQ-UHFFFAOYSA-N 1 3 323.444 2.514 20 30 DFEDHO C=CC[C@@H]1N(CC(=O)NC2CC[NH+](CC)CC2)CCCC1(C)C ZINC000444790243 429277831 /nfs/dbraw/zinc/27/78/31/429277831.db2.gz HSNYOSBFLVWQIO-KRWDZBQOSA-N 1 3 321.509 2.654 20 30 DFEDHO COc1ccc(C#N)cc1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866020 429529253 /nfs/dbraw/zinc/52/92/53/429529253.db2.gz QITVNASNUWDOJQ-UHFFFAOYSA-N 1 3 313.445 2.875 20 30 DFEDHO N#CC1(CCC[N@@H+]2CC[C@@H](CN3CCCC3)C2)CCOCC1 ZINC000369202072 429919449 /nfs/dbraw/zinc/91/94/49/429919449.db2.gz GGXMWLRUPZESCE-KRWDZBQOSA-N 1 3 305.466 2.505 20 30 DFEDHO N#CC1(CCC[N@H+]2CC[C@@H](CN3CCCC3)C2)CCOCC1 ZINC000369202072 429919450 /nfs/dbraw/zinc/91/94/50/429919450.db2.gz GGXMWLRUPZESCE-KRWDZBQOSA-N 1 3 305.466 2.505 20 30 DFEDHO COCC#CCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000645007705 430888919 /nfs/dbraw/zinc/88/89/19/430888919.db2.gz NTDNZEDSBQTMMF-UHFFFAOYSA-N 1 3 312.457 2.624 20 30 DFEDHO C=CC[C@@]1(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000662413216 431076521 /nfs/dbraw/zinc/07/65/21/431076521.db2.gz NNUMHRMANLCEOC-HKUYNNGSSA-N 1 3 315.461 2.624 20 30 DFEDHO COc1ccc(C#N)cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000156299654 295334320 /nfs/dbraw/zinc/33/43/20/295334320.db2.gz ZKZJTNVEGUBLOX-UHFFFAOYSA-N 1 3 301.434 2.731 20 30 DFEDHO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCN1 ZINC000576146948 318106892 /nfs/dbraw/zinc/10/68/92/318106892.db2.gz NVLTXLOLRRXGTK-IWCVFHTOSA-N 1 3 313.445 2.978 20 30 DFEDHO C=CCOCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000378539991 333039846 /nfs/dbraw/zinc/03/98/46/333039846.db2.gz BKMSUURPTAEBIX-GBESFXJTSA-N 1 3 300.446 2.689 20 30 DFEDHO C=CCOCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000378539991 333039847 /nfs/dbraw/zinc/03/98/47/333039847.db2.gz BKMSUURPTAEBIX-GBESFXJTSA-N 1 3 300.446 2.689 20 30 DFEDHO C=CCOCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000378539991 333039848 /nfs/dbraw/zinc/03/98/48/333039848.db2.gz BKMSUURPTAEBIX-GBESFXJTSA-N 1 3 300.446 2.689 20 30 DFEDHO C=CCOc1ccccc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000353547365 336423970 /nfs/dbraw/zinc/42/39/70/336423970.db2.gz YQSDSTNVECTVNM-UHFFFAOYSA-N 1 3 318.461 2.794 20 30 DFEDHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1 ZINC000376166049 337028726 /nfs/dbraw/zinc/02/87/26/337028726.db2.gz KRWYLEWXYLGLMV-MANSERQUSA-N 1 3 319.493 2.938 20 30 DFEDHO CN1CCC(C[NH2+][C@@H]2CCC[C@H](C#N)C2)(N2CCCCC2)CC1 ZINC000185845581 337251887 /nfs/dbraw/zinc/25/18/87/337251887.db2.gz BZCPLKCIAYRMSE-ZWKOTPCHSA-N 1 3 318.509 2.609 20 30 DFEDHO C[C@H](NCC1(CC#N)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000430722650 338112433 /nfs/dbraw/zinc/11/24/33/338112433.db2.gz FPHRHUWUYFECHZ-HNNXBMFYSA-N 1 3 301.434 2.971 20 30 DFEDHO Cc1ccc[nH+]c1NNC1=CC(=O)N(C(=O)OC(C)(C)C)C1C ZINC000496285303 340002220 /nfs/dbraw/zinc/00/22/20/340002220.db2.gz RHFDGFFRGYCNJI-LLVKDONJSA-N 1 3 318.377 2.714 20 30 DFEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038795 185279252 /nfs/dbraw/zinc/27/92/52/185279252.db2.gz ZXCWFUOWPVLYDO-HZPDHXFCSA-N 1 3 317.477 2.668 20 30 DFEDHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199656 283211228 /nfs/dbraw/zinc/21/12/28/283211228.db2.gz INUNXMOJVUGVRB-RHSMWYFYSA-N 1 3 301.434 2.729 20 30 DFEDHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199656 283211231 /nfs/dbraw/zinc/21/12/31/283211231.db2.gz INUNXMOJVUGVRB-RHSMWYFYSA-N 1 3 301.434 2.729 20 30 DFEDHO C=CCc1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc(OC)c1O ZINC000092253565 193180579 /nfs/dbraw/zinc/18/05/79/193180579.db2.gz BPOFJBYTMWLMRN-OAHLLOKOSA-N 1 3 318.461 2.903 20 30 DFEDHO C=CCc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc(OC)c1O ZINC000092253565 193180581 /nfs/dbraw/zinc/18/05/81/193180581.db2.gz BPOFJBYTMWLMRN-OAHLLOKOSA-N 1 3 318.461 2.903 20 30 DFEDHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(C#N)c1 ZINC000602023447 399386552 /nfs/dbraw/zinc/38/65/52/399386552.db2.gz XEKUYIAVIXMFKI-AWEZNQCLSA-N 1 3 307.401 2.536 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(C[NH+](C)C)c1 ZINC000602589958 399485193 /nfs/dbraw/zinc/48/51/93/399485193.db2.gz ACPOIANOMQWKAT-INIZCTEOSA-N 1 3 315.461 2.937 20 30 DFEDHO C[C@H](CCC#N)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000602706877 399531754 /nfs/dbraw/zinc/53/17/54/399531754.db2.gz HUESMFQIFGIOCA-MRXNPFEDSA-N 1 3 300.450 2.823 20 30 DFEDHO CC(C#N)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612357602 399631193 /nfs/dbraw/zinc/63/11/93/399631193.db2.gz ASERZAYOWIWUAZ-VDHUWJSZSA-N 1 3 311.429 2.563 20 30 DFEDHO CC(C#N)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612357602 399631194 /nfs/dbraw/zinc/63/11/94/399631194.db2.gz ASERZAYOWIWUAZ-VDHUWJSZSA-N 1 3 311.429 2.563 20 30 DFEDHO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000678050274 544589130 /nfs/dbraw/zinc/58/91/30/544589130.db2.gz WVVKWTNRQQBLDN-UFYCRDLUSA-N 1 3 314.473 2.910 20 30 DFEDHO C=C(C)[C@H](CO)[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000678050274 544589134 /nfs/dbraw/zinc/58/91/34/544589134.db2.gz WVVKWTNRQQBLDN-UFYCRDLUSA-N 1 3 314.473 2.910 20 30 DFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000115628338 426169975 /nfs/dbraw/zinc/16/99/75/426169975.db2.gz UNWVOXKHDMNLQF-VQIMIIECSA-N 1 3 315.461 2.785 20 30 DFEDHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516158 426841566 /nfs/dbraw/zinc/84/15/66/426841566.db2.gz INUNXMOJVUGVRB-WMLDXEAASA-N 1 3 301.434 2.729 20 30 DFEDHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516158 426841569 /nfs/dbraw/zinc/84/15/69/426841569.db2.gz INUNXMOJVUGVRB-WMLDXEAASA-N 1 3 301.434 2.729 20 30 DFEDHO CN1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1cccs1 ZINC000247016608 426891876 /nfs/dbraw/zinc/89/18/76/426891876.db2.gz LPVSHYVDRQOUQG-HOCLYGCPSA-N 1 3 320.506 2.932 20 30 DFEDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)[C@H](C)C1 ZINC000248934784 427063905 /nfs/dbraw/zinc/06/39/05/427063905.db2.gz YDLRNJNJAJRCKV-TVFCKZIOSA-N 1 3 307.482 2.795 20 30 DFEDHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)[C@H](C)C1 ZINC000248934784 427063911 /nfs/dbraw/zinc/06/39/11/427063911.db2.gz YDLRNJNJAJRCKV-TVFCKZIOSA-N 1 3 307.482 2.795 20 30 DFEDHO CN(CCCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285499516 427253268 /nfs/dbraw/zinc/25/32/68/427253268.db2.gz MPBKLZUGIAZVPR-JWTNVVGKSA-N 1 3 313.445 2.884 20 30 DFEDHO CN(CCCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285499516 427253274 /nfs/dbraw/zinc/25/32/74/427253274.db2.gz MPBKLZUGIAZVPR-JWTNVVGKSA-N 1 3 313.445 2.884 20 30 DFEDHO CN(C)C(=[NH+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)N(C)C ZINC000262529614 427362670 /nfs/dbraw/zinc/36/26/70/427362670.db2.gz MTZLVQJLDPITHN-HIFRSBDPSA-N 1 3 308.495 2.610 20 30 DFEDHO C=CCCOCCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271520613 427570444 /nfs/dbraw/zinc/57/04/44/427570444.db2.gz OITSMAIJQRVGRS-INIZCTEOSA-N 1 3 306.450 2.870 20 30 DFEDHO COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)N2CCCC2)cc1 ZINC000264064724 427650590 /nfs/dbraw/zinc/65/05/90/427650590.db2.gz DQDXHLYKVYUPTI-MRXNPFEDSA-N 1 3 304.438 2.542 20 30 DFEDHO CN(CCCN(C)Cc1ccc(C#N)cc1Cl)CC[NH+](C)C ZINC000344032199 428612000 /nfs/dbraw/zinc/61/20/00/428612000.db2.gz PRKYHLWCSGTMAB-UHFFFAOYSA-N 1 3 322.884 2.527 20 30 DFEDHO C=C(C)CN1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422979432 429052764 /nfs/dbraw/zinc/05/27/64/429052764.db2.gz MSPZOUHHZYKWMW-LPHOPBHVSA-N 1 3 301.478 2.575 20 30 DFEDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCSCc1ccccc1C#N ZINC000422985927 429053869 /nfs/dbraw/zinc/05/38/69/429053869.db2.gz FXQXMEXVBLOXGS-PBHICJAKSA-N 1 3 303.475 2.769 20 30 DFEDHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422985927 429053872 /nfs/dbraw/zinc/05/38/72/429053872.db2.gz FXQXMEXVBLOXGS-PBHICJAKSA-N 1 3 303.475 2.769 20 30 DFEDHO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H]1CCCNC1 ZINC000423212614 429054744 /nfs/dbraw/zinc/05/47/44/429054744.db2.gz IQBKWGLNJDOBPX-WBVHZDCISA-N 1 3 312.461 2.505 20 30 DFEDHO C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453371763 429148273 /nfs/dbraw/zinc/14/82/73/429148273.db2.gz UVPWPKPACQGKDM-ZGXWSNOMSA-N 1 3 314.473 2.814 20 30 DFEDHO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OCCN(C)C)cc1 ZINC000424315749 429125286 /nfs/dbraw/zinc/12/52/86/429125286.db2.gz AKTRWDVODYXPCC-HLLBOEOZSA-N 1 3 301.434 2.970 20 30 DFEDHO C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000424315749 429125296 /nfs/dbraw/zinc/12/52/96/429125296.db2.gz AKTRWDVODYXPCC-HLLBOEOZSA-N 1 3 301.434 2.970 20 30 DFEDHO C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000424325503 429126699 /nfs/dbraw/zinc/12/66/99/429126699.db2.gz LERAGYBVEGRLHE-YQQAZPJKSA-N 1 3 301.434 2.970 20 30 DFEDHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427868566 429476127 /nfs/dbraw/zinc/47/61/27/429476127.db2.gz QWTXVMMJFFRAPD-AEFFLSMTSA-N 1 3 315.461 2.996 20 30 DFEDHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427868566 429476132 /nfs/dbraw/zinc/47/61/32/429476132.db2.gz QWTXVMMJFFRAPD-AEFFLSMTSA-N 1 3 315.461 2.996 20 30 DFEDHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(C#N)cc1 ZINC000278735773 288040337 /nfs/dbraw/zinc/04/03/37/288040337.db2.gz NCBBEXMREXOJDR-IBGZPJMESA-N 1 3 314.477 2.627 20 30 DFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000657881862 430758636 /nfs/dbraw/zinc/75/86/36/430758636.db2.gz ZCORYLYHDRHJPH-AOIWGVFYSA-N 1 3 305.510 2.879 20 30 DFEDHO C=CC[C@]1(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000662413219 431076191 /nfs/dbraw/zinc/07/61/91/431076191.db2.gz NNUMHRMANLCEOC-PKOBYXMFSA-N 1 3 315.461 2.624 20 30 DFEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)C(C)C ZINC000427315756 332196788 /nfs/dbraw/zinc/19/67/88/332196788.db2.gz WBSAQZSHUOYASI-ZWKOTPCHSA-N 1 3 321.509 2.581 20 30 DFEDHO C#CC[N@H+](C)CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000294539668 335124634 /nfs/dbraw/zinc/12/46/34/335124634.db2.gz AOMXJJUBJKWMGT-QGZVFWFLSA-N 1 3 301.390 2.517 20 30 DFEDHO C#CC[N@@H+](C)CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000294539668 335124635 /nfs/dbraw/zinc/12/46/35/335124635.db2.gz AOMXJJUBJKWMGT-QGZVFWFLSA-N 1 3 301.390 2.517 20 30 DFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(F)F)cc1 ZINC000184879704 333202318 /nfs/dbraw/zinc/20/23/18/333202318.db2.gz RXCQUZOTLLVUTE-CQSZACIVSA-N 1 3 310.392 2.513 20 30 DFEDHO COc1ccc(NC(=[NH2+])NCC2(CN(C)C)CCCC2)cc1 ZINC000273435869 334046996 /nfs/dbraw/zinc/04/69/96/334046996.db2.gz BUCKRAYFOUYNST-UHFFFAOYSA-N 1 3 304.438 2.544 20 30 DFEDHO C=CCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414775175 334091805 /nfs/dbraw/zinc/09/18/05/334091805.db2.gz BNONCCNTEBFECM-MOPGFXCFSA-N 1 3 316.445 2.580 20 30 DFEDHO C=CCc1cc(CN2CCC(C[NH2+]CC)CC2)cc(OC)c1O ZINC000347208563 335480045 /nfs/dbraw/zinc/48/00/45/335480045.db2.gz NPENORYRUBUMQZ-UHFFFAOYSA-N 1 3 318.461 2.951 20 30 DFEDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H](C#N)C2)[C@H](C)C1 ZINC000185826038 337250600 /nfs/dbraw/zinc/25/06/00/337250600.db2.gz YDLRNJNJAJRCKV-XDNAFOTISA-N 1 3 307.482 2.795 20 30 DFEDHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H](C#N)C2)[C@H](C)C1 ZINC000185826038 337250601 /nfs/dbraw/zinc/25/06/01/337250601.db2.gz YDLRNJNJAJRCKV-XDNAFOTISA-N 1 3 307.482 2.795 20 30 DFEDHO [NH2+]=C(NCC1CCN(Cc2cccs2)CC1)NC1CCCC1 ZINC000261867880 337611877 /nfs/dbraw/zinc/61/18/77/337611877.db2.gz ODLRQZCSFVODQP-UHFFFAOYSA-N 1 3 320.506 2.807 20 30 DFEDHO C=CCSCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422948556 337694375 /nfs/dbraw/zinc/69/43/75/337694375.db2.gz SKPFYHLTFZIFHN-NVXWUHKLSA-N 1 3 304.459 2.751 20 30 DFEDHO C[C@@H](NCC1(CC#N)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000430722651 338112427 /nfs/dbraw/zinc/11/24/27/338112427.db2.gz FPHRHUWUYFECHZ-OAHLLOKOSA-N 1 3 301.434 2.971 20 30 DFEDHO C[C@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+]1CCCC1 ZINC000433315385 338191863 /nfs/dbraw/zinc/19/18/63/338191863.db2.gz YDSSIKPHTIFSLS-SJLPKXTDSA-N 1 3 313.445 2.607 20 30 DFEDHO Cn1cc(CNC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000365159225 527215853 /nfs/dbraw/zinc/21/58/53/527215853.db2.gz YGTGVMKXYQMLQE-YOEHRIQHSA-N 1 3 314.458 2.741 20 30 DFEDHO Cn1cc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000365159225 527215859 /nfs/dbraw/zinc/21/58/59/527215859.db2.gz YGTGVMKXYQMLQE-YOEHRIQHSA-N 1 3 314.458 2.741 20 30 DFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038794 185279324 /nfs/dbraw/zinc/27/93/24/185279324.db2.gz ZXCWFUOWPVLYDO-JKSUJKDBSA-N 1 3 317.477 2.668 20 30 DFEDHO C[NH+](C)CCOc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000592371119 398417142 /nfs/dbraw/zinc/41/71/42/398417142.db2.gz MVQHETTZOYXFEZ-UHFFFAOYSA-N 1 3 323.440 2.983 20 30 DFEDHO CC(C)(CCC#N)C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000594975326 398884960 /nfs/dbraw/zinc/88/49/60/398884960.db2.gz QVSQWTZWIJZNNN-SFHVURJKSA-N 1 3 315.461 2.673 20 30 DFEDHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(C#N)cc1 ZINC000602020097 399386167 /nfs/dbraw/zinc/38/61/67/399386167.db2.gz HYSVFHFOZPEQFG-AWEZNQCLSA-N 1 3 307.401 2.536 20 30 DFEDHO C[C@H](CCC#N)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000602499745 399461312 /nfs/dbraw/zinc/46/13/12/399461312.db2.gz LMVZFVXRMRIQMD-MRXNPFEDSA-N 1 3 315.461 2.673 20 30 DFEDHO C=CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccco1 ZINC000287396315 335045544 /nfs/dbraw/zinc/04/55/44/335045544.db2.gz IWPXNJVRKVZQOU-INIZCTEOSA-N 1 3 305.466 2.903 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H](C)C[NH+]1CCCCC1 ZINC000602518240 399466584 /nfs/dbraw/zinc/46/65/84/399466584.db2.gz OGWZLQTXOBQWIE-DLBZAZTESA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000602518240 399466586 /nfs/dbraw/zinc/46/65/86/399466586.db2.gz OGWZLQTXOBQWIE-DLBZAZTESA-N 1 3 307.482 2.797 20 30 DFEDHO N#Cc1ccccc1OCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846460 399600765 /nfs/dbraw/zinc/60/07/65/399600765.db2.gz QEUVWCKQGJCDNG-UHFFFAOYSA-N 1 3 322.412 2.544 20 30 DFEDHO C#Cc1ccc(CNC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000289968016 335067593 /nfs/dbraw/zinc/06/75/93/335067593.db2.gz BPXIVFHAZSVPSJ-UHFFFAOYSA-N 1 3 300.446 2.647 20 30 DFEDHO CCCN1CCC([N@H+](C)Cc2ccc(OC)c(C#N)c2)CC1 ZINC000135122398 426206197 /nfs/dbraw/zinc/20/61/97/426206197.db2.gz BOEXCQPDLBQUKP-UHFFFAOYSA-N 1 3 301.434 2.873 20 30 DFEDHO CCCN1CCC([N@@H+](C)Cc2ccc(OC)c(C#N)c2)CC1 ZINC000135122398 426206199 /nfs/dbraw/zinc/20/61/99/426206199.db2.gz BOEXCQPDLBQUKP-UHFFFAOYSA-N 1 3 301.434 2.873 20 30 DFEDHO [NH2+]=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NC1CCCCC1 ZINC000195290882 426511637 /nfs/dbraw/zinc/51/16/37/426511637.db2.gz OWQOVIAXMMAPQU-KRWDZBQOSA-N 1 3 314.477 2.746 20 30 DFEDHO CN1CCC[C@H]1CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000178444488 426631511 /nfs/dbraw/zinc/63/15/11/426631511.db2.gz NCSPNNFRTZXBAB-SFHVURJKSA-N 1 3 312.461 2.555 20 30 DFEDHO CN1CCC[C@H]1CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000178444488 426631515 /nfs/dbraw/zinc/63/15/15/426631515.db2.gz NCSPNNFRTZXBAB-SFHVURJKSA-N 1 3 312.461 2.555 20 30 DFEDHO COc1cc(C[N@H+](C)C2CCN(C(C)C)CC2)ccc1C#N ZINC000282392036 426898451 /nfs/dbraw/zinc/89/84/51/426898451.db2.gz REDSYRITFBIWPA-UHFFFAOYSA-N 1 3 301.434 2.871 20 30 DFEDHO COc1cc(C[N@@H+](C)C2CCN(C(C)C)CC2)ccc1C#N ZINC000282392036 426898458 /nfs/dbraw/zinc/89/84/58/426898458.db2.gz REDSYRITFBIWPA-UHFFFAOYSA-N 1 3 301.434 2.871 20 30 DFEDHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000283267799 426986606 /nfs/dbraw/zinc/98/66/06/426986606.db2.gz KZPWJYFYHWCROL-QGZVFWFLSA-N 1 3 314.477 2.625 20 30 DFEDHO C=CCC[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccco1 ZINC000276484151 427082346 /nfs/dbraw/zinc/08/23/46/427082346.db2.gz SLBPVEVDWLNNSX-KRWDZBQOSA-N 1 3 305.466 2.903 20 30 DFEDHO CN(C)C(=[NH+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)N(C)C ZINC000262529612 427362693 /nfs/dbraw/zinc/36/26/93/427362693.db2.gz MTZLVQJLDPITHN-DZGCQCFKSA-N 1 3 308.495 2.610 20 30 DFEDHO CN(C)CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000342733404 428441424 /nfs/dbraw/zinc/44/14/24/428441424.db2.gz UAYOKJWMQCTWDB-MRXNPFEDSA-N 1 3 313.449 2.662 20 30 DFEDHO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000361805399 428597237 /nfs/dbraw/zinc/59/72/37/428597237.db2.gz ZSHXJYVGBPEQTF-KRWDZBQOSA-N 1 3 300.450 2.589 20 30 DFEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)C1 ZINC000362032974 428611135 /nfs/dbraw/zinc/61/11/35/428611135.db2.gz RFZVCBOXKLEPRD-ZRSRNVLSSA-N 1 3 319.493 2.936 20 30 DFEDHO N#Cc1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000375889410 429008814 /nfs/dbraw/zinc/00/88/14/429008814.db2.gz OPSVWIFEGFBUPY-UYAOXDASSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000375889410 429008818 /nfs/dbraw/zinc/00/88/18/429008818.db2.gz OPSVWIFEGFBUPY-UYAOXDASSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000375889410 429008820 /nfs/dbraw/zinc/00/88/20/429008820.db2.gz OPSVWIFEGFBUPY-UYAOXDASSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422997617 429053413 /nfs/dbraw/zinc/05/34/13/429053413.db2.gz VAKLWDZDXQTORB-NVXWUHKLSA-N 1 3 303.475 2.899 20 30 DFEDHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422984703 429054170 /nfs/dbraw/zinc/05/41/70/429054170.db2.gz BHCDJFOXWZJASI-QBBMROGASA-N 1 3 301.434 2.964 20 30 DFEDHO C[C@@H](N)C[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422984704 429054249 /nfs/dbraw/zinc/05/42/49/429054249.db2.gz BHCDJFOXWZJASI-VBJONLRCSA-N 1 3 301.434 2.964 20 30 DFEDHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424187708 429106614 /nfs/dbraw/zinc/10/66/14/429106614.db2.gz BEQWCZIEAPEPOV-FUHWJXTLSA-N 1 3 312.461 2.610 20 30 DFEDHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000458237378 429606509 /nfs/dbraw/zinc/60/65/09/429606509.db2.gz ZABTVSVYOOBXKJ-ROUUACIJSA-N 1 3 313.445 2.607 20 30 DFEDHO C[N@H+]1CCC[C@@H](CCNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000458237378 429606513 /nfs/dbraw/zinc/60/65/13/429606513.db2.gz ZABTVSVYOOBXKJ-ROUUACIJSA-N 1 3 313.445 2.607 20 30 DFEDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000369344067 429926666 /nfs/dbraw/zinc/92/66/66/429926666.db2.gz PETZALZWNAWRGJ-LZQZEXGQSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000369344067 429926671 /nfs/dbraw/zinc/92/66/71/429926671.db2.gz PETZALZWNAWRGJ-LZQZEXGQSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@H](NCCSCc1ccccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000581006003 430168771 /nfs/dbraw/zinc/16/87/71/430168771.db2.gz OKJUSMRXYRQNPL-GOEBONIOSA-N 1 3 303.475 2.769 20 30 DFEDHO C[C@H]([NH2+]CCSCc1ccccc1C#N)[C@@H]1CCCNC1 ZINC000581006003 430168775 /nfs/dbraw/zinc/16/87/75/430168775.db2.gz OKJUSMRXYRQNPL-GOEBONIOSA-N 1 3 303.475 2.769 20 30 DFEDHO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000651693625 430850587 /nfs/dbraw/zinc/85/05/87/430850587.db2.gz XWPTZVPNNHXQPR-AEFFLSMTSA-N 1 3 305.510 2.879 20 30 DFEDHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426790462 332153934 /nfs/dbraw/zinc/15/39/34/332153934.db2.gz ABMIJVVSXSPRDP-RDJZCZTQSA-N 1 3 301.434 2.604 20 30 DFEDHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426790462 332153935 /nfs/dbraw/zinc/15/39/35/332153935.db2.gz ABMIJVVSXSPRDP-RDJZCZTQSA-N 1 3 301.434 2.604 20 30 DFEDHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185784438 333213983 /nfs/dbraw/zinc/21/39/83/333213983.db2.gz DZVNFSXAVISSCN-SJORKVTESA-N 1 3 301.434 2.799 20 30 DFEDHO C#CCN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000294949880 335129096 /nfs/dbraw/zinc/12/90/96/335129096.db2.gz INGLHPGLNRKPQS-ICSRJNTNSA-N 1 3 313.489 2.584 20 30 DFEDHO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414684274 334068476 /nfs/dbraw/zinc/06/84/76/334068476.db2.gz CYRLGOGFRWGYIE-HOCLYGCPSA-N 1 3 303.406 2.971 20 30 DFEDHO C=CCc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1O ZINC000414808303 334104767 /nfs/dbraw/zinc/10/47/67/334104767.db2.gz SDPXIAXYYOPDPP-CVEARBPZSA-N 1 3 304.434 2.736 20 30 DFEDHO C=CCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000344631735 335265276 /nfs/dbraw/zinc/26/52/76/335265276.db2.gz QMRIRLPBVYGYSV-UHFFFAOYSA-N 1 3 318.461 2.576 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331387311 336134574 /nfs/dbraw/zinc/13/45/74/336134574.db2.gz LAYOGWSWHUBPLY-RCCFBDPRSA-N 1 3 311.429 2.502 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331387311 336134576 /nfs/dbraw/zinc/13/45/76/336134576.db2.gz LAYOGWSWHUBPLY-RCCFBDPRSA-N 1 3 311.429 2.502 20 30 DFEDHO C#CCOc1ccccc1CNCC1CC[NH+](CCC)CC1 ZINC000105446562 336387710 /nfs/dbraw/zinc/38/77/10/336387710.db2.gz MSZPCYMWQJDVAW-UHFFFAOYSA-N 1 3 300.446 2.910 20 30 DFEDHO CCC[NH+]1CCC(N2CCN(CCCC(C)(C)C#N)CC2)CC1 ZINC000371843079 336914421 /nfs/dbraw/zinc/91/44/21/336914421.db2.gz QMSMRBPISWPUJK-UHFFFAOYSA-N 1 3 320.525 2.808 20 30 DFEDHO CCC[N@H+](CC)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000428510749 338055104 /nfs/dbraw/zinc/05/51/04/338055104.db2.gz QWTXVMMJFFRAPD-FUHWJXTLSA-N 1 3 315.461 2.996 20 30 DFEDHO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000428510749 338055105 /nfs/dbraw/zinc/05/51/05/338055105.db2.gz QWTXVMMJFFRAPD-FUHWJXTLSA-N 1 3 315.461 2.996 20 30 DFEDHO C[C@H](NCC1(CC#N)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000430751614 338113631 /nfs/dbraw/zinc/11/36/31/338113631.db2.gz XWKGTWNFKLVLOX-HNNXBMFYSA-N 1 3 301.434 2.971 20 30 DFEDHO C[N@H+](CCNC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000433345095 338193478 /nfs/dbraw/zinc/19/34/78/338193478.db2.gz VOGNCIYUHVKRBR-KRWDZBQOSA-N 1 3 313.445 2.750 20 30 DFEDHO C[N@@H+](CCNC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000433345095 338193479 /nfs/dbraw/zinc/19/34/79/338193479.db2.gz VOGNCIYUHVKRBR-KRWDZBQOSA-N 1 3 313.445 2.750 20 30 DFEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000449324224 338613070 /nfs/dbraw/zinc/61/30/70/338613070.db2.gz DIXIZCAIOXBYEU-KZNAEPCWSA-N 1 3 321.509 2.709 20 30 DFEDHO Cn1cc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000365159224 527216349 /nfs/dbraw/zinc/21/63/49/527216349.db2.gz YGTGVMKXYQMLQE-WMLDXEAASA-N 1 3 314.458 2.741 20 30 DFEDHO Cn1cc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000365159224 527216353 /nfs/dbraw/zinc/21/63/53/527216353.db2.gz YGTGVMKXYQMLQE-WMLDXEAASA-N 1 3 314.458 2.741 20 30 DFEDHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000278645782 214299843 /nfs/dbraw/zinc/29/98/43/214299843.db2.gz SMHVLGDYAJQXHL-JKSUJKDBSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000278645782 214299844 /nfs/dbraw/zinc/29/98/44/214299844.db2.gz SMHVLGDYAJQXHL-JKSUJKDBSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc(Cl)ccc1C#N ZINC000596361015 398394685 /nfs/dbraw/zinc/39/46/85/398394685.db2.gz ORXHNYHCDJRETH-ZDUSSCGKSA-N 1 3 308.857 2.896 20 30 DFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc(Cl)ccc1C#N ZINC000596361015 398394687 /nfs/dbraw/zinc/39/46/87/398394687.db2.gz ORXHNYHCDJRETH-ZDUSSCGKSA-N 1 3 308.857 2.896 20 30 DFEDHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000181775345 199350785 /nfs/dbraw/zinc/35/07/85/199350785.db2.gz DKNACXOQAXRCPK-NVXWUHKLSA-N 1 3 313.445 2.710 20 30 DFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000236863021 202041907 /nfs/dbraw/zinc/04/19/07/202041907.db2.gz RJAYHGKNCQFYPV-QFBILLFUSA-N 1 3 315.461 2.785 20 30 DFEDHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594440486 398803064 /nfs/dbraw/zinc/80/30/64/398803064.db2.gz DJJVKZSZOKGYCZ-KRWDZBQOSA-N 1 3 316.449 2.878 20 30 DFEDHO CC(C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598398323 398806340 /nfs/dbraw/zinc/80/63/40/398806340.db2.gz ZKBAQAWTQBTMFG-NVXWUHKLSA-N 1 3 311.429 2.565 20 30 DFEDHO CC(C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598398323 398806341 /nfs/dbraw/zinc/80/63/41/398806341.db2.gz ZKBAQAWTQBTMFG-NVXWUHKLSA-N 1 3 311.429 2.565 20 30 DFEDHO N#Cc1csc(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000594954401 398880173 /nfs/dbraw/zinc/88/01/73/398880173.db2.gz LEMIXFCXOGREFQ-UHFFFAOYSA-N 1 3 319.474 2.600 20 30 DFEDHO C=CCC[C@H](O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285469636 335026300 /nfs/dbraw/zinc/02/63/00/335026300.db2.gz HKGFKKIXWUKMEJ-PMACEKPBSA-N 1 3 314.473 2.912 20 30 DFEDHO C=CCC[C@H](O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285469636 335026301 /nfs/dbraw/zinc/02/63/01/335026301.db2.gz HKGFKKIXWUKMEJ-PMACEKPBSA-N 1 3 314.473 2.912 20 30 DFEDHO N#Cc1ccc2c(c1)[C@H](NCc1cccc3c1CC[NH2+]C3)CC2 ZINC000602021557 399386309 /nfs/dbraw/zinc/38/63/09/399386309.db2.gz PNACTWDPKIJEPB-HXUWFJFHSA-N 1 3 303.409 2.981 20 30 DFEDHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544002 399471414 /nfs/dbraw/zinc/47/14/14/399471414.db2.gz GRKVKEFCCCTQEI-IAGOWNOFSA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544002 399471416 /nfs/dbraw/zinc/47/14/16/399471416.db2.gz GRKVKEFCCCTQEI-IAGOWNOFSA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544002 399471417 /nfs/dbraw/zinc/47/14/17/399471417.db2.gz GRKVKEFCCCTQEI-IAGOWNOFSA-N 1 3 307.482 2.795 20 30 DFEDHO COCC[N@H+](C)CCCC1CCN(CC2(CC#N)CC2)CC1 ZINC000602796625 399578531 /nfs/dbraw/zinc/57/85/31/399578531.db2.gz DNZPXAHYUMHKSW-UHFFFAOYSA-N 1 3 307.482 2.751 20 30 DFEDHO COCC[N@@H+](C)CCCC1CCN(CC2(CC#N)CC2)CC1 ZINC000602796625 399578534 /nfs/dbraw/zinc/57/85/34/399578534.db2.gz DNZPXAHYUMHKSW-UHFFFAOYSA-N 1 3 307.482 2.751 20 30 DFEDHO N#Cc1cccc(OCCN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602844356 399598487 /nfs/dbraw/zinc/59/84/87/399598487.db2.gz BUUHMKIYJZHPHT-UHFFFAOYSA-N 1 3 322.412 2.544 20 30 DFEDHO CN1CCC[C@@H]1CC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602897756 399618420 /nfs/dbraw/zinc/61/84/20/399618420.db2.gz ZBJPWPYUCWQKTK-GOSISDBHSA-N 1 3 312.461 2.919 20 30 DFEDHO N#CCC[C@H](C#N)CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000604436843 399846863 /nfs/dbraw/zinc/84/68/63/399846863.db2.gz FJCUYARCGOUIFM-LJQANCHMSA-N 1 3 310.445 2.932 20 30 DFEDHO C[N@@H+]1CCC[C@H]2CN(CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027934 158156655 /nfs/dbraw/zinc/15/66/55/158156655.db2.gz PREPRRHQQQCTPF-PKOBYXMFSA-N 1 3 313.445 2.743 20 30 DFEDHO C[N@H+]1CCC[C@H]2CN(CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027934 158156657 /nfs/dbraw/zinc/15/66/57/158156657.db2.gz PREPRRHQQQCTPF-PKOBYXMFSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027934 158156659 /nfs/dbraw/zinc/15/66/59/158156659.db2.gz PREPRRHQQQCTPF-PKOBYXMFSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027934 158156660 /nfs/dbraw/zinc/15/66/60/158156660.db2.gz PREPRRHQQQCTPF-PKOBYXMFSA-N 1 3 313.445 2.743 20 30 DFEDHO N#Cc1ccc2c(c1)[C@@H](NCCC[NH2+]Cc1cccnc1)CC2 ZINC000423190250 270000763 /nfs/dbraw/zinc/00/07/63/270000763.db2.gz QTDUXEVLHWKMIJ-IBGZPJMESA-N 1 3 306.413 2.710 20 30 DFEDHO C=C(C)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915673 425969579 /nfs/dbraw/zinc/96/95/79/425969579.db2.gz VWAIOPXQCQBDLC-LJQANCHMSA-N 1 3 302.462 2.940 20 30 DFEDHO C=C(C)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915673 425969582 /nfs/dbraw/zinc/96/95/82/425969582.db2.gz VWAIOPXQCQBDLC-LJQANCHMSA-N 1 3 302.462 2.940 20 30 DFEDHO C=CCC[C@H](O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000130097491 426147053 /nfs/dbraw/zinc/14/70/53/426147053.db2.gz DDKROTYOFIZECG-SFHVURJKSA-N 1 3 303.450 2.557 20 30 DFEDHO C=CCC[C@H](O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000130097491 426147055 /nfs/dbraw/zinc/14/70/55/426147055.db2.gz DDKROTYOFIZECG-SFHVURJKSA-N 1 3 303.450 2.557 20 30 DFEDHO CC(C)(C)N1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000181156139 426922408 /nfs/dbraw/zinc/92/24/08/426922408.db2.gz IFWYQBNQLLBOSS-UHFFFAOYSA-N 1 3 301.434 2.790 20 30 DFEDHO C[C@@H](c1ccc(C#N)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180962779 426901015 /nfs/dbraw/zinc/90/10/15/426901015.db2.gz YENLYHXISIXQSF-INIZCTEOSA-N 1 3 314.477 2.577 20 30 DFEDHO C[C@@H](c1ccc(C#N)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180962779 426901019 /nfs/dbraw/zinc/90/10/19/426901019.db2.gz YENLYHXISIXQSF-INIZCTEOSA-N 1 3 314.477 2.577 20 30 DFEDHO C=CCC[C@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247657441 426956940 /nfs/dbraw/zinc/95/69/40/426956940.db2.gz XENQGRIOJQJMQK-OALUTQOASA-N 1 3 302.462 2.767 20 30 DFEDHO C=CCC[C@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247657441 426956945 /nfs/dbraw/zinc/95/69/45/426956945.db2.gz XENQGRIOJQJMQK-OALUTQOASA-N 1 3 302.462 2.767 20 30 DFEDHO CC(C)CNC(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000262422117 427358654 /nfs/dbraw/zinc/35/86/54/427358654.db2.gz RCHLRYIDMUYIJQ-ZFWWWQNUSA-N 1 3 308.495 2.691 20 30 DFEDHO CCCCNC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000264067201 427649622 /nfs/dbraw/zinc/64/96/22/427649622.db2.gz BSNZAQLFZFKZGA-CQSZACIVSA-N 1 3 308.495 2.665 20 30 DFEDHO CCN(CC)C(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000264101622 427656964 /nfs/dbraw/zinc/65/69/64/427656964.db2.gz OGXSFWARCLGMLG-CQSZACIVSA-N 1 3 308.495 2.617 20 30 DFEDHO CC(C)CNC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264113612 427661649 /nfs/dbraw/zinc/66/16/49/427661649.db2.gz RVQLNYGHDIGJGC-UHFFFAOYSA-N 1 3 308.495 2.520 20 30 DFEDHO C=CCOCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200866 427726950 /nfs/dbraw/zinc/72/69/50/427726950.db2.gz JMMBGWOZYZKZCI-RBUKOAKNSA-N 1 3 300.446 2.643 20 30 DFEDHO C=CCOCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200866 427726954 /nfs/dbraw/zinc/72/69/54/427726954.db2.gz JMMBGWOZYZKZCI-RBUKOAKNSA-N 1 3 300.446 2.643 20 30 DFEDHO C[NH+](C)CCCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000349822720 427873808 /nfs/dbraw/zinc/87/38/08/427873808.db2.gz QPWGNDWPUWYLEJ-SJORKVTESA-N 1 3 301.434 2.799 20 30 DFEDHO CCCCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304599979 427939061 /nfs/dbraw/zinc/93/90/61/427939061.db2.gz GWFBXZPNIPXLLM-DZGCQCFKSA-N 1 3 308.495 2.835 20 30 DFEDHO C=CCOc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000347014324 428408976 /nfs/dbraw/zinc/40/89/76/428408976.db2.gz IOGYONNIJZIDCM-AWEZNQCLSA-N 1 3 304.434 2.819 20 30 DFEDHO C=CCN(CCC1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000359214192 428868652 /nfs/dbraw/zinc/86/86/52/428868652.db2.gz IFPUGNQPFYMKMN-UHFFFAOYSA-N 1 3 303.406 2.973 20 30 DFEDHO C#C[C@@H](CCC)NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000491381001 429355004 /nfs/dbraw/zinc/35/50/04/429355004.db2.gz CCQUOZBAGZVMJE-KRWDZBQOSA-N 1 3 312.461 2.567 20 30 DFEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C(C)C ZINC000449324223 429387552 /nfs/dbraw/zinc/38/75/52/429387552.db2.gz DIXIZCAIOXBYEU-FGTMMUONSA-N 1 3 321.509 2.709 20 30 DFEDHO C=CC[C@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000662772160 431190806 /nfs/dbraw/zinc/19/08/06/431190806.db2.gz CSECJUBQMAGQFL-AZUAARDMSA-N 1 3 323.440 2.654 20 30 DFEDHO C[C@H]1CN(CCCC[NH2+]Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000177691928 315984997 /nfs/dbraw/zinc/98/49/97/315984997.db2.gz RZOVTMDGMBPNMW-KBPBESRZSA-N 1 3 307.463 2.599 20 30 DFEDHO C=CCOCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000378539990 333039796 /nfs/dbraw/zinc/03/97/96/333039796.db2.gz BKMSUURPTAEBIX-CEXWTWQISA-N 1 3 300.446 2.689 20 30 DFEDHO C=CCOCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000378539990 333039798 /nfs/dbraw/zinc/03/97/98/333039798.db2.gz BKMSUURPTAEBIX-CEXWTWQISA-N 1 3 300.446 2.689 20 30 DFEDHO C=CCOCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000378539990 333039800 /nfs/dbraw/zinc/03/98/00/333039800.db2.gz BKMSUURPTAEBIX-CEXWTWQISA-N 1 3 300.446 2.689 20 30 DFEDHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181557711 333170205 /nfs/dbraw/zinc/17/02/05/333170205.db2.gz QIODEZZQAXPTDR-HOTGVXAUSA-N 1 3 301.434 2.971 20 30 DFEDHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185784393 333214022 /nfs/dbraw/zinc/21/40/22/333214022.db2.gz DZVNFSXAVISSCN-IRXDYDNUSA-N 1 3 301.434 2.799 20 30 DFEDHO CC(C)[NH+]1CCC(N2CCN(CCCC(C)(C)C#N)CC2)CC1 ZINC000336871145 333431080 /nfs/dbraw/zinc/43/10/80/333431080.db2.gz LLPIEEGOGNNRQO-UHFFFAOYSA-N 1 3 320.525 2.807 20 30 DFEDHO C=CCc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1O ZINC000414808309 334104834 /nfs/dbraw/zinc/10/48/34/334104834.db2.gz SDPXIAXYYOPDPP-HZPDHXFCSA-N 1 3 304.434 2.736 20 30 DFEDHO CN(CCC#N)c1ccc(C[N@H+](C)CCCN2CCCC2)cc1 ZINC000281201764 334123772 /nfs/dbraw/zinc/12/37/72/334123772.db2.gz JEITWXGHDZTDCX-UHFFFAOYSA-N 1 3 314.477 2.954 20 30 DFEDHO CN(CCC#N)c1ccc(C[N@@H+](C)CCCN2CCCC2)cc1 ZINC000281201764 334123774 /nfs/dbraw/zinc/12/37/74/334123774.db2.gz JEITWXGHDZTDCX-UHFFFAOYSA-N 1 3 314.477 2.954 20 30 DFEDHO CN(CC#Cc1ccc(Cl)cc1)CCCN(C)CC[NH+](C)C ZINC000344026411 335210145 /nfs/dbraw/zinc/21/01/45/335210145.db2.gz JNRMWNODTVLKNM-UHFFFAOYSA-N 1 3 321.896 2.507 20 30 DFEDHO C=C(C)CCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000351867045 336074297 /nfs/dbraw/zinc/07/42/97/336074297.db2.gz YFNATBBIRCXTRH-UHFFFAOYSA-N 1 3 317.477 2.715 20 30 DFEDHO CN1CCC(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)(N2CCCCC2)CC1 ZINC000185845617 337251973 /nfs/dbraw/zinc/25/19/73/337251973.db2.gz BZCPLKCIAYRMSE-QZTJIDSGSA-N 1 3 318.509 2.609 20 30 DFEDHO N#CC1CCC(CNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425893215 338018474 /nfs/dbraw/zinc/01/84/74/338018474.db2.gz BVFTZGSKHJKIGZ-UHFFFAOYSA-N 1 3 302.422 2.561 20 30 DFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684767978 546277014 /nfs/dbraw/zinc/27/70/14/546277014.db2.gz WPYJYRDBMYMZQI-MJGOQNOKSA-N 1 3 318.461 2.698 20 30 DFEDHO COc1ccc([C@H](CCC#N)[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000581170942 398388061 /nfs/dbraw/zinc/38/80/61/398388061.db2.gz BYYNWJYOIRLWJT-QAPCUYQASA-N 1 3 301.434 2.971 20 30 DFEDHO COc1ccc([C@H](CCC#N)[NH2+]C[C@@H]2CCCN(C)C2)cc1 ZINC000581170945 398388480 /nfs/dbraw/zinc/38/84/80/398388480.db2.gz BYYNWJYOIRLWJT-YJBOKZPZSA-N 1 3 301.434 2.971 20 30 DFEDHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181493362 199305715 /nfs/dbraw/zinc/30/57/15/199305715.db2.gz NMGDKZNWOLFGHB-QGZVFWFLSA-N 1 3 314.477 2.627 20 30 DFEDHO N#Cc1ccc(OCC[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000090107788 398481012 /nfs/dbraw/zinc/48/10/12/398481012.db2.gz NWBLLAZBNNEMQX-UHFFFAOYSA-N 1 3 313.445 2.934 20 30 DFEDHO C=CCCOCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000090883927 398495569 /nfs/dbraw/zinc/49/55/69/398495569.db2.gz JGXSLSAYGMTSTR-UHFFFAOYSA-N 1 3 302.462 2.876 20 30 DFEDHO CC(C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598398324 398806221 /nfs/dbraw/zinc/80/62/21/398806221.db2.gz ZKBAQAWTQBTMFG-RDJZCZTQSA-N 1 3 311.429 2.565 20 30 DFEDHO CC(C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598398324 398806222 /nfs/dbraw/zinc/80/62/22/398806222.db2.gz ZKBAQAWTQBTMFG-RDJZCZTQSA-N 1 3 311.429 2.565 20 30 DFEDHO CC(C)(C#N)C[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000598588808 398837058 /nfs/dbraw/zinc/83/70/58/398837058.db2.gz LHPQOKDHWLUPHX-GOSISDBHSA-N 1 3 321.509 2.875 20 30 DFEDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594933048 398875100 /nfs/dbraw/zinc/87/51/00/398875100.db2.gz YOTXUGVUNZTOTE-GOSISDBHSA-N 1 3 315.461 2.688 20 30 DFEDHO C[N@@H+]1CCCC[C@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600313132 399031409 /nfs/dbraw/zinc/03/14/09/399031409.db2.gz IBKDKMUWXRJBAG-MSOLQXFVSA-N 1 3 313.445 2.607 20 30 DFEDHO C[N@H+]1CCCC[C@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600313132 399031412 /nfs/dbraw/zinc/03/14/12/399031412.db2.gz IBKDKMUWXRJBAG-MSOLQXFVSA-N 1 3 313.445 2.607 20 30 DFEDHO CC(C)[N@H+](C)CC1CCN(CCOc2ccccc2C#N)CC1 ZINC000609133592 399304824 /nfs/dbraw/zinc/30/48/24/399304824.db2.gz YCXSAJBXDCCQLJ-UHFFFAOYSA-N 1 3 315.461 2.989 20 30 DFEDHO CC(C)[N@@H+](C)CC1CCN(CCOc2ccccc2C#N)CC1 ZINC000609133592 399304826 /nfs/dbraw/zinc/30/48/26/399304826.db2.gz YCXSAJBXDCCQLJ-UHFFFAOYSA-N 1 3 315.461 2.989 20 30 DFEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cccc(C#N)n2)C1 ZINC000602515473 399465322 /nfs/dbraw/zinc/46/53/22/399465322.db2.gz WBAICLLVCLKQCS-HZPDHXFCSA-N 1 3 300.450 2.801 20 30 DFEDHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000611438564 399476975 /nfs/dbraw/zinc/47/69/75/399476975.db2.gz AIDJJTWBCNVSAU-KXBFYZLASA-N 1 3 313.445 2.852 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NCC1(C[NH+](C)C)CCCC1 ZINC000602616160 399491139 /nfs/dbraw/zinc/49/11/39/399491139.db2.gz LFDXMBULOJMGAZ-INIZCTEOSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@H]1CCSCCN1CC#CC[N@@H+]1CCSCC[C@@H]1C ZINC000625368548 399536255 /nfs/dbraw/zinc/53/62/55/399536255.db2.gz BJCMZTPIBOKVML-HOTGVXAUSA-N 1 3 312.548 2.645 20 30 DFEDHO C[C@H]1CCSCCN1CC#CC[N@H+]1CCSCC[C@@H]1C ZINC000625368548 399536259 /nfs/dbraw/zinc/53/62/59/399536259.db2.gz BJCMZTPIBOKVML-HOTGVXAUSA-N 1 3 312.548 2.645 20 30 DFEDHO N#Cc1ccc(CC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000602851060 399602291 /nfs/dbraw/zinc/60/22/91/399602291.db2.gz YGGMJAQYCSTTIZ-UHFFFAOYSA-N 1 3 306.413 2.708 20 30 DFEDHO N#Cc1ccc(CC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000602851060 399602296 /nfs/dbraw/zinc/60/22/96/399602296.db2.gz YGGMJAQYCSTTIZ-UHFFFAOYSA-N 1 3 306.413 2.708 20 30 DFEDHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358589113 158391603 /nfs/dbraw/zinc/39/16/03/158391603.db2.gz MHKGCJKCXRDLCR-DZGCQCFKSA-N 1 3 307.413 2.705 20 30 DFEDHO C[NH+](C)CCC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000056522526 425895464 /nfs/dbraw/zinc/89/54/64/425895464.db2.gz AVTDSYAMFMMAGH-UHFFFAOYSA-N 1 3 301.434 2.601 20 30 DFEDHO CCC[NH+]1CCC(N2CCN(CC(C)(C)CCC#N)CC2)CC1 ZINC000124497382 425923458 /nfs/dbraw/zinc/92/34/58/425923458.db2.gz XWGIJMCEXFBIOW-UHFFFAOYSA-N 1 3 320.525 2.808 20 30 DFEDHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000349661590 266116459 /nfs/dbraw/zinc/11/64/59/266116459.db2.gz GMVJDTGDPADRPJ-CQSZACIVSA-N 1 3 307.413 2.706 20 30 DFEDHO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276578396 427104875 /nfs/dbraw/zinc/10/48/75/427104875.db2.gz AQLNQALWJYKAJS-VQIMIIECSA-N 1 3 322.456 2.897 20 30 DFEDHO C=CCN1CC[C@@H](N2CCC(CCC[NH+](CC)CC)CC2)C1=O ZINC000337203831 427815628 /nfs/dbraw/zinc/81/56/28/427815628.db2.gz ICJLVKLZFRRQRC-GOSISDBHSA-N 1 3 321.509 2.607 20 30 DFEDHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670891 428649536 /nfs/dbraw/zinc/64/95/36/428649536.db2.gz WARIDSRYCLLGHK-DNVCBOLYSA-N 1 3 313.445 2.636 20 30 DFEDHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670891 428649544 /nfs/dbraw/zinc/64/95/44/428649544.db2.gz WARIDSRYCLLGHK-DNVCBOLYSA-N 1 3 313.445 2.636 20 30 DFEDHO N#CC1(CCCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CCOCC1 ZINC000374160979 428665885 /nfs/dbraw/zinc/66/58/85/428665885.db2.gz LUGJEWNHNCHIBS-FGTMMUONSA-N 1 3 317.477 2.503 20 30 DFEDHO N#CC1(CCCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CCOCC1 ZINC000374160979 428665888 /nfs/dbraw/zinc/66/58/88/428665888.db2.gz LUGJEWNHNCHIBS-FGTMMUONSA-N 1 3 317.477 2.503 20 30 DFEDHO C=C[C@@H]1OCCC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158683 429054681 /nfs/dbraw/zinc/05/46/81/429054681.db2.gz WYQWBGDFAKNZPE-DFEOGRTESA-N 1 3 314.429 2.566 20 30 DFEDHO C[NH+](C)CCCC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000456174202 429253303 /nfs/dbraw/zinc/25/33/03/429253303.db2.gz RYRMKLQMIXJSOU-KRWDZBQOSA-N 1 3 315.461 2.996 20 30 DFEDHO C=CC[C@@]1(C(=O)NCC(C)(C)N2CCC[C@H](CC)C2)CCC[NH2+]1 ZINC000662728704 431175629 /nfs/dbraw/zinc/17/56/29/431175629.db2.gz AYTHFKRUXVRTSJ-LPHOPBHVSA-N 1 3 321.509 2.702 20 30 DFEDHO C=CC[C@]1(C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662680279 431158608 /nfs/dbraw/zinc/15/86/08/431158608.db2.gz UMJNOWURICDOGC-IEBWSBKVSA-N 1 3 321.509 2.557 20 30 DFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)oc2ccccc21 ZINC000184824446 335090125 /nfs/dbraw/zinc/09/01/25/335090125.db2.gz LKCCQMQSIWYWFZ-CQSZACIVSA-N 1 3 314.433 2.630 20 30 DFEDHO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]([NH3+])C3)C2)c(F)c1 ZINC000564667480 302148951 /nfs/dbraw/zinc/14/89/51/302148951.db2.gz LEZBXQHXOBLDBB-OAGGEKHMSA-N 1 3 316.424 2.526 20 30 DFEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H](N)C3)C2)c(F)c1 ZINC000564667480 302148952 /nfs/dbraw/zinc/14/89/52/302148952.db2.gz LEZBXQHXOBLDBB-OAGGEKHMSA-N 1 3 316.424 2.526 20 30 DFEDHO C=CCCCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000580215102 333014562 /nfs/dbraw/zinc/01/45/62/333014562.db2.gz OVNCGDLQJVUFCJ-UHFFFAOYSA-N 1 3 321.509 2.655 20 30 DFEDHO C=CCOc1cccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414787365 334096796 /nfs/dbraw/zinc/09/67/96/334096796.db2.gz LSSFEPCFLLGQGN-MOPGFXCFSA-N 1 3 316.445 2.580 20 30 DFEDHO N#CCCOCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000293539362 334198916 /nfs/dbraw/zinc/19/89/16/334198916.db2.gz KBVWSPNPVZJZLX-IBGZPJMESA-N 1 3 313.445 2.515 20 30 DFEDHO N#CCCOCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000293539362 334198918 /nfs/dbraw/zinc/19/89/18/334198918.db2.gz KBVWSPNPVZJZLX-IBGZPJMESA-N 1 3 313.445 2.515 20 30 DFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)C(C)C ZINC000346121170 335376147 /nfs/dbraw/zinc/37/61/47/335376147.db2.gz FCBILZLWEBGPHM-KZNAEPCWSA-N 1 3 321.509 2.674 20 30 DFEDHO C[C@@H]1CN(CCC2CC[NH+](CCCCC#N)CC2)C[C@@H](C)O1 ZINC000177507617 337156351 /nfs/dbraw/zinc/15/63/51/337156351.db2.gz LZBPKFCNAYGLLP-IAGOWNOFSA-N 1 3 307.482 2.892 20 30 DFEDHO C=CCN(CC=C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)C(C)C ZINC000192657090 337306087 /nfs/dbraw/zinc/30/60/87/337306087.db2.gz OTIASSZCOHJDNB-XVLXNVKGSA-N 1 3 305.510 2.900 20 30 DFEDHO C=CCN1CCC(NC(N[C@@H]2C[C@H]2C2CCCCC2)=[NH+]C)CC1 ZINC000262416224 337617478 /nfs/dbraw/zinc/61/74/78/337617478.db2.gz QENJJUOWBSHGBJ-ZWKOTPCHSA-N 1 3 318.509 2.771 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426362023 338028857 /nfs/dbraw/zinc/02/88/57/338028857.db2.gz OTPXHNHJQYUYLZ-UHFFFAOYSA-N 1 3 321.509 2.655 20 30 DFEDHO C=CCOc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430930037 338119084 /nfs/dbraw/zinc/11/90/84/338119084.db2.gz RGAKHLLYHQUJRF-UHFFFAOYSA-N 1 3 316.445 2.836 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000453372812 338833667 /nfs/dbraw/zinc/83/36/67/338833667.db2.gz VUKZTQUKTDOZIK-QGTPRVQTSA-N 1 3 304.434 2.621 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)NCC12CCC[NH+]1CCC2 ZINC000597588593 398665126 /nfs/dbraw/zinc/66/51/26/398665126.db2.gz MHESCTQWANTZTK-KRWDZBQOSA-N 1 3 311.429 2.504 20 30 DFEDHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000595058348 398899004 /nfs/dbraw/zinc/89/90/04/398899004.db2.gz ACXONGCISZZBDT-GJZGRUSLSA-N 1 3 320.456 2.620 20 30 DFEDHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C#N ZINC000600711066 399120846 /nfs/dbraw/zinc/12/08/46/399120846.db2.gz QRRRKFNYUQZBGR-YTQUADARSA-N 1 3 313.445 2.585 20 30 DFEDHO N#CCC1(CNCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000619530058 399357956 /nfs/dbraw/zinc/35/79/56/399357956.db2.gz UUZNZNASLBJMLF-UHFFFAOYSA-N 1 3 313.445 2.945 20 30 DFEDHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCN(CC#N)CC3)CC2)C1 ZINC000610814023 399409325 /nfs/dbraw/zinc/40/93/25/399409325.db2.gz YYPNLNZQEJLBFP-APWZRJJASA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC3CCN(CC#N)CC3)CC2)C1 ZINC000610814023 399409327 /nfs/dbraw/zinc/40/93/27/399409327.db2.gz YYPNLNZQEJLBFP-APWZRJJASA-N 1 3 318.509 2.607 20 30 DFEDHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000611438568 399476883 /nfs/dbraw/zinc/47/68/83/399476883.db2.gz AIPTYASBMXSLQD-KXBFYZLASA-N 1 3 313.445 2.852 20 30 DFEDHO C=CCN(CC=C)[C@@H](CNC(=O)CCCCCC[NH3+])C(C)C ZINC000269244202 207376779 /nfs/dbraw/zinc/37/67/79/207376779.db2.gz SUWZQBBGRHHZAO-KRWDZBQOSA-N 1 3 309.498 2.710 20 30 DFEDHO CC[NH+](CC)CCOCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000612574246 399680183 /nfs/dbraw/zinc/68/01/83/399680183.db2.gz XFLMUWZMSMWMIO-IBGZPJMESA-N 1 3 315.461 2.884 20 30 DFEDHO C#Cc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000289991307 335067743 /nfs/dbraw/zinc/06/77/43/335067743.db2.gz KJWOJQLCTDXYRX-UHFFFAOYSA-N 1 3 312.457 2.745 20 30 DFEDHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358589121 158391642 /nfs/dbraw/zinc/39/16/42/158391642.db2.gz MHKGCJKCXRDLCR-HIFRSBDPSA-N 1 3 307.413 2.705 20 30 DFEDHO C[N@@H+]1CCC[C@H]2CN(CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113760 196019901 /nfs/dbraw/zinc/01/99/01/196019901.db2.gz QIJPNKVLDVVOMH-HKUYNNGSSA-N 1 3 313.445 2.743 20 30 DFEDHO C[N@H+]1CCC[C@H]2CN(CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113760 196019903 /nfs/dbraw/zinc/01/99/03/196019903.db2.gz QIJPNKVLDVVOMH-HKUYNNGSSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113760 196019904 /nfs/dbraw/zinc/01/99/04/196019904.db2.gz QIJPNKVLDVVOMH-HKUYNNGSSA-N 1 3 313.445 2.743 20 30 DFEDHO CN1CCC[C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113760 196019906 /nfs/dbraw/zinc/01/99/06/196019906.db2.gz QIJPNKVLDVVOMH-HKUYNNGSSA-N 1 3 313.445 2.743 20 30 DFEDHO C#Cc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000290407666 335073317 /nfs/dbraw/zinc/07/33/17/335073317.db2.gz PZBGEGKNQIJTPD-UXHICEINSA-N 1 3 312.457 2.525 20 30 DFEDHO CC[N@@H+]1CCC[C@H]1CNCc1ccc(N(C)CCC#N)cc1 ZINC000072670034 426018473 /nfs/dbraw/zinc/01/84/73/426018473.db2.gz JDNWTAHBQPLDGM-SFHVURJKSA-N 1 3 300.450 2.610 20 30 DFEDHO CC[N@H+]1CCC[C@H]1CNCc1ccc(N(C)CCC#N)cc1 ZINC000072670034 426018475 /nfs/dbraw/zinc/01/84/75/426018475.db2.gz JDNWTAHBQPLDGM-SFHVURJKSA-N 1 3 300.450 2.610 20 30 DFEDHO CC(C)N(C)CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285726335 427319498 /nfs/dbraw/zinc/31/94/98/427319498.db2.gz QKOAGMWRGYAUBW-UHFFFAOYSA-N 1 3 314.477 2.847 20 30 DFEDHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271946369 427600113 /nfs/dbraw/zinc/60/01/13/427600113.db2.gz NMBSZZIZLBFDBE-XJKSGUPXSA-N 1 3 307.413 2.705 20 30 DFEDHO CCCCNC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264099872 427659113 /nfs/dbraw/zinc/65/91/13/427659113.db2.gz NTFAURGNXAQCOL-UHFFFAOYSA-N 1 3 308.495 2.665 20 30 DFEDHO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000264114744 427660198 /nfs/dbraw/zinc/66/01/98/427660198.db2.gz SBEWWCKSOPRCFH-KBPBESRZSA-N 1 3 308.495 2.663 20 30 DFEDHO C=CCOCCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200867 427728374 /nfs/dbraw/zinc/72/83/74/427728374.db2.gz JMMBGWOZYZKZCI-RTBURBONSA-N 1 3 300.446 2.643 20 30 DFEDHO C=CCOCCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200867 427728377 /nfs/dbraw/zinc/72/83/77/427728377.db2.gz JMMBGWOZYZKZCI-RTBURBONSA-N 1 3 300.446 2.643 20 30 DFEDHO CC(C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000336658667 427745607 /nfs/dbraw/zinc/74/56/07/427745607.db2.gz SAKRJIVMLFCDOI-INIZCTEOSA-N 1 3 311.429 2.661 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361711676 428590265 /nfs/dbraw/zinc/59/02/65/428590265.db2.gz LOCOPYDQRAIPPS-BPQIPLTHSA-N 1 3 311.429 2.659 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361711676 428590272 /nfs/dbraw/zinc/59/02/72/428590272.db2.gz LOCOPYDQRAIPPS-BPQIPLTHSA-N 1 3 311.429 2.659 20 30 DFEDHO N#Cc1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000375889358 429007939 /nfs/dbraw/zinc/00/79/39/429007939.db2.gz OPSVWIFEGFBUPY-ICSRJNTNSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000375889358 429007941 /nfs/dbraw/zinc/00/79/41/429007941.db2.gz OPSVWIFEGFBUPY-ICSRJNTNSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000375889358 429007947 /nfs/dbraw/zinc/00/79/47/429007947.db2.gz OPSVWIFEGFBUPY-ICSRJNTNSA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422997616 429054178 /nfs/dbraw/zinc/05/41/78/429054178.db2.gz VAKLWDZDXQTORB-DOTOQJQBSA-N 1 3 303.475 2.899 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000423268903 429055433 /nfs/dbraw/zinc/05/54/33/429055433.db2.gz FFEBWNRDLUACQW-LPHOPBHVSA-N 1 3 312.461 2.634 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000423268898 429055712 /nfs/dbraw/zinc/05/57/12/429055712.db2.gz FFEBWNRDLUACQW-APWZRJJASA-N 1 3 312.461 2.634 20 30 DFEDHO C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000453371758 429146407 /nfs/dbraw/zinc/14/64/07/429146407.db2.gz UVPWPKPACQGKDM-UAFMIMERSA-N 1 3 314.473 2.814 20 30 DFEDHO N#Cc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000518514618 429425133 /nfs/dbraw/zinc/42/51/33/429425133.db2.gz BFTISHLLTLIGEJ-CEXWTWQISA-N 1 3 313.445 2.837 20 30 DFEDHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000569660856 430473940 /nfs/dbraw/zinc/47/39/40/430473940.db2.gz DEVOXGRACCFSCU-LJQANCHMSA-N 1 3 314.477 2.627 20 30 DFEDHO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000651693628 430851682 /nfs/dbraw/zinc/85/16/82/430851682.db2.gz XWPTZVPNNHXQPR-WMZOPIPTSA-N 1 3 305.510 2.879 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648744966 430878544 /nfs/dbraw/zinc/87/85/44/430878544.db2.gz WVALAFLXRFWDHC-MOPGFXCFSA-N 1 3 316.445 2.594 20 30 DFEDHO C=C(CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655702068 431088977 /nfs/dbraw/zinc/08/89/77/431088977.db2.gz PIZSPXIEMADBPH-IBGZPJMESA-N 1 3 300.446 2.933 20 30 DFEDHO C=C(CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655702069 431089211 /nfs/dbraw/zinc/08/92/11/431089211.db2.gz PIZSPXIEMADBPH-LJQANCHMSA-N 1 3 300.446 2.933 20 30 DFEDHO C=CC[C@]1(C(=O)NCC(C)(C)N2CCC[C@H](CC)C2)CCC[NH2+]1 ZINC000662728705 431175257 /nfs/dbraw/zinc/17/52/57/431175257.db2.gz AYTHFKRUXVRTSJ-QFBILLFUSA-N 1 3 321.509 2.702 20 30 DFEDHO C=CC[C@@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000662772162 431190172 /nfs/dbraw/zinc/19/01/72/431190172.db2.gz CSECJUBQMAGQFL-ICSRJNTNSA-N 1 3 323.440 2.654 20 30 DFEDHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000067452638 288159951 /nfs/dbraw/zinc/15/99/51/288159951.db2.gz XDUXVCJCJOROMU-IYBDPMFKSA-N 1 3 301.434 2.537 20 30 DFEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000427315754 332196644 /nfs/dbraw/zinc/19/66/44/332196644.db2.gz WBSAQZSHUOYASI-QZTJIDSGSA-N 1 3 321.509 2.581 20 30 DFEDHO N#CCCNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000574868839 332441118 /nfs/dbraw/zinc/44/11/18/332441118.db2.gz ACASICZCELHCRO-UHFFFAOYSA-N 1 3 301.434 2.561 20 30 DFEDHO CCN(CC)Cc1ccccc1CNC(=[NH2+])Nc1ccccn1 ZINC000170908823 333042303 /nfs/dbraw/zinc/04/23/03/333042303.db2.gz JOGMOTOHHDXQSD-UHFFFAOYSA-N 1 3 311.433 2.850 20 30 DFEDHO C[C@H](CCNC(=[NH2+])Nc1ccccn1)N(C)Cc1ccccc1 ZINC000176968778 333123051 /nfs/dbraw/zinc/12/30/51/333123051.db2.gz OYVUXBASYHMBNM-OAHLLOKOSA-N 1 3 311.433 2.719 20 30 DFEDHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185784507 333214123 /nfs/dbraw/zinc/21/41/23/333214123.db2.gz LMYIDXFMDMJILD-NVXWUHKLSA-N 1 3 301.434 2.799 20 30 DFEDHO CN(C)CCOc1ccccc1CNC(=[NH2+])Nc1ccccc1 ZINC000264092729 333951825 /nfs/dbraw/zinc/95/18/25/333951825.db2.gz LIYYDLGSPCIYEZ-UHFFFAOYSA-N 1 3 312.417 2.554 20 30 DFEDHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1 ZINC000376166151 337028757 /nfs/dbraw/zinc/02/87/57/337028757.db2.gz KRWYLEWXYLGLMV-OKYOBFRVSA-N 1 3 319.493 2.938 20 30 DFEDHO C=CCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000193450877 337326599 /nfs/dbraw/zinc/32/65/99/337326599.db2.gz ZAXKAINENOKJQL-DFNIBXOVSA-N 1 3 305.510 2.976 20 30 DFEDHO C=CCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193450877 337326600 /nfs/dbraw/zinc/32/66/00/337326600.db2.gz ZAXKAINENOKJQL-DFNIBXOVSA-N 1 3 305.510 2.976 20 30 DFEDHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433365311 338193809 /nfs/dbraw/zinc/19/38/09/338193809.db2.gz PENAVPTYMATETI-RCCFBDPRSA-N 1 3 313.445 2.748 20 30 DFEDHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000278645755 214299682 /nfs/dbraw/zinc/29/96/82/214299682.db2.gz SMHVLGDYAJQXHL-CVEARBPZSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000278645755 214299684 /nfs/dbraw/zinc/29/96/84/214299684.db2.gz SMHVLGDYAJQXHL-CVEARBPZSA-N 1 3 301.434 2.710 20 30 DFEDHO C=CC[C@@H](CC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000516660657 398358612 /nfs/dbraw/zinc/35/86/12/398358612.db2.gz ATUMCIYTMXUVCI-QGZVFWFLSA-N 1 3 321.509 2.654 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786139 398673695 /nfs/dbraw/zinc/67/36/95/398673695.db2.gz BXYPZJZTNGMFGF-KRWDZBQOSA-N 1 3 323.525 2.852 20 30 DFEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786139 398673699 /nfs/dbraw/zinc/67/36/99/398673699.db2.gz BXYPZJZTNGMFGF-KRWDZBQOSA-N 1 3 323.525 2.852 20 30 DFEDHO CN(C)CCOc1ccc(C[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC000594955055 398881374 /nfs/dbraw/zinc/88/13/74/398881374.db2.gz MEJUPCDDCQDGDR-UHFFFAOYSA-N 1 3 323.440 2.831 20 30 DFEDHO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000595064813 398900977 /nfs/dbraw/zinc/90/09/77/398900977.db2.gz BNCSPEBEVDCXBW-RBUKOAKNSA-N 1 3 312.461 2.966 20 30 DFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000595064814 398901065 /nfs/dbraw/zinc/90/10/65/398901065.db2.gz BNCSPEBEVDCXBW-RTBURBONSA-N 1 3 312.461 2.966 20 30 DFEDHO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000595064806 398901155 /nfs/dbraw/zinc/90/11/55/398901155.db2.gz BNCSPEBEVDCXBW-MOPGFXCFSA-N 1 3 312.461 2.966 20 30 DFEDHO N#CC1(C[C@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000599268047 398945735 /nfs/dbraw/zinc/94/57/35/398945735.db2.gz WWQXFCWKRCVHBI-SFHVURJKSA-N 1 3 319.493 2.629 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602168141 399404243 /nfs/dbraw/zinc/40/42/43/399404243.db2.gz UAXLLEBAQRZMLB-KURKYZTESA-N 1 3 311.429 2.502 20 30 DFEDHO CN(C)CCOc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602524632 399467805 /nfs/dbraw/zinc/46/78/05/399467805.db2.gz NQTYUPFSAUGYOW-UHFFFAOYSA-N 1 3 301.434 2.799 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000602715912 399535483 /nfs/dbraw/zinc/53/54/83/399535483.db2.gz PVGZMACMUCKONQ-WMZOPIPTSA-N 1 3 319.493 2.797 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000602715912 399535486 /nfs/dbraw/zinc/53/54/86/399535486.db2.gz PVGZMACMUCKONQ-WMZOPIPTSA-N 1 3 319.493 2.797 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000602715912 399535487 /nfs/dbraw/zinc/53/54/87/399535487.db2.gz PVGZMACMUCKONQ-WMZOPIPTSA-N 1 3 319.493 2.797 20 30 DFEDHO CN(CCCOc1cccc(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000156499122 197117865 /nfs/dbraw/zinc/11/78/65/197117865.db2.gz PODUJSCRIHYVEO-QGZVFWFLSA-N 1 3 301.434 2.601 20 30 DFEDHO CN(CCCOc1cccc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000156499122 197117866 /nfs/dbraw/zinc/11/78/66/197117866.db2.gz PODUJSCRIHYVEO-QGZVFWFLSA-N 1 3 301.434 2.601 20 30 DFEDHO Cc1ccc(CN2CCCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000602846815 399599946 /nfs/dbraw/zinc/59/99/46/399599946.db2.gz HOWKPALEURRKMX-UHFFFAOYSA-N 1 3 306.413 2.974 20 30 DFEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)C(C)C ZINC000165199413 426121224 /nfs/dbraw/zinc/12/12/24/426121224.db2.gz JNXCNGWZFXLQRU-SFHVURJKSA-N 1 3 315.461 2.574 20 30 DFEDHO COc1ccc(NC(=[NH2+])NC[C@H](CC(C)C)N2CCCC2)cc1 ZINC000264153372 426507475 /nfs/dbraw/zinc/50/74/75/426507475.db2.gz ZXPFCOPAUGGDJP-INIZCTEOSA-N 1 3 318.465 2.932 20 30 DFEDHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000177691940 426505831 /nfs/dbraw/zinc/50/58/31/426505831.db2.gz RZOVTMDGMBPNMW-ZIAGYGMSSA-N 1 3 307.463 2.599 20 30 DFEDHO CCCNC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000267385170 426880535 /nfs/dbraw/zinc/88/05/35/426880535.db2.gz BLVQFCZFASHZMO-UHFFFAOYSA-N 1 3 322.884 2.866 20 30 DFEDHO C=CCOc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268440071 427018087 /nfs/dbraw/zinc/01/80/87/427018087.db2.gz RAVRTEVSWWRISD-UHFFFAOYSA-N 1 3 318.461 2.576 20 30 DFEDHO N#Cc1ccc(N2CCC([NH2+]CCCN3CCCC3)CC2)cc1 ZINC000285728627 427323576 /nfs/dbraw/zinc/32/35/76/427323576.db2.gz QNMBPZQIXJVORS-UHFFFAOYSA-N 1 3 312.461 2.603 20 30 DFEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000271072571 427394636 /nfs/dbraw/zinc/39/46/36/427394636.db2.gz WBJYYUULFOIFPK-KRWDZBQOSA-N 1 3 321.509 2.629 20 30 DFEDHO CN(C)C(=[NH+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)N(C)C ZINC000262529620 427361555 /nfs/dbraw/zinc/36/15/55/427361555.db2.gz MTZLVQJLDPITHN-ZFWWWQNUSA-N 1 3 308.495 2.610 20 30 DFEDHO CN(CCCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377408161 428124858 /nfs/dbraw/zinc/12/48/58/428124858.db2.gz DYAFVCUNGJPTRS-JWTNVVGKSA-N 1 3 313.445 2.884 20 30 DFEDHO CN(CCCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377408161 428124861 /nfs/dbraw/zinc/12/48/61/428124861.db2.gz DYAFVCUNGJPTRS-JWTNVVGKSA-N 1 3 313.445 2.884 20 30 DFEDHO COCC[N@H+](C)CCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360833327 428455859 /nfs/dbraw/zinc/45/58/59/428455859.db2.gz HDYPNCUVEZVYRB-LJQANCHMSA-N 1 3 315.461 2.884 20 30 DFEDHO COCC[N@@H+](C)CCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360833327 428455863 /nfs/dbraw/zinc/45/58/63/428455863.db2.gz HDYPNCUVEZVYRB-LJQANCHMSA-N 1 3 315.461 2.884 20 30 DFEDHO CCNC(NCC1CCN(Cc2ccccc2F)CC1)=[NH+]CC ZINC000361804668 428597942 /nfs/dbraw/zinc/59/79/42/428597942.db2.gz SYQKUSRLLFUKGO-UHFFFAOYSA-N 1 3 320.456 2.613 20 30 DFEDHO CCN1CCC[C@@H]1C[N@H+](CCN(C)C)CC(C)(C)CCC#N ZINC000349064142 428911311 /nfs/dbraw/zinc/91/13/11/428911311.db2.gz UCOHIVXPIRFIBA-QGZVFWFLSA-N 1 3 308.514 2.664 20 30 DFEDHO CCN1CCC[C@@H]1C[N@@H+](CCN(C)C)CC(C)(C)CCC#N ZINC000349064142 428911315 /nfs/dbraw/zinc/91/13/15/428911315.db2.gz UCOHIVXPIRFIBA-QGZVFWFLSA-N 1 3 308.514 2.664 20 30 DFEDHO C=CCN1CCC(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424164243 429102012 /nfs/dbraw/zinc/10/20/12/429102012.db2.gz YUHOTCBIJLRKNZ-QGZVFWFLSA-N 1 3 321.509 2.831 20 30 DFEDHO CN1CC[C@]2(CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535210 429471384 /nfs/dbraw/zinc/47/13/84/429471384.db2.gz NJIRNUIFLLPPFF-IBGZPJMESA-N 1 3 313.445 2.897 20 30 DFEDHO CN1CC[C@]2(CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535210 429471389 /nfs/dbraw/zinc/47/13/89/429471389.db2.gz NJIRNUIFLLPPFF-IBGZPJMESA-N 1 3 313.445 2.897 20 30 DFEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000651693627 430851913 /nfs/dbraw/zinc/85/19/13/430851913.db2.gz XWPTZVPNNHXQPR-SJLPKXTDSA-N 1 3 305.510 2.879 20 30 DFEDHO C=CC[C@@]1(C(=O)NCC(C)(C)N2CCC[C@@H](CC)C2)CCC[NH2+]1 ZINC000662728702 431175215 /nfs/dbraw/zinc/17/52/15/431175215.db2.gz AYTHFKRUXVRTSJ-APWZRJJASA-N 1 3 321.509 2.702 20 30 DFEDHO C=CCC1([NH2+]Cc2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000657632869 431830473 /nfs/dbraw/zinc/83/04/73/431830473.db2.gz ABBBJGPYVYQRNU-UHFFFAOYSA-N 1 3 318.461 2.842 20 30 DFEDHO COc1ccc(NC(=[NH2+])NCC(C)(C)N2CCC[C@H](C)C2)cc1 ZINC000104178921 332244364 /nfs/dbraw/zinc/24/43/64/332244364.db2.gz MAXRYCOFKKOIBR-AWEZNQCLSA-N 1 3 318.465 2.932 20 30 DFEDHO CCN1CC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236902327 332244385 /nfs/dbraw/zinc/24/43/85/332244385.db2.gz PTRXDQDFBVJDDP-KRWDZBQOSA-N 1 3 301.434 2.801 20 30 DFEDHO C#CC[N@H+](C)CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000294539660 335124617 /nfs/dbraw/zinc/12/46/17/335124617.db2.gz AOMXJJUBJKWMGT-KRWDZBQOSA-N 1 3 301.390 2.517 20 30 DFEDHO C#CC[N@@H+](C)CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000294539660 335124619 /nfs/dbraw/zinc/12/46/19/335124619.db2.gz AOMXJJUBJKWMGT-KRWDZBQOSA-N 1 3 301.390 2.517 20 30 DFEDHO [NH2+]=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1 ZINC000179712641 333154786 /nfs/dbraw/zinc/15/47/86/333154786.db2.gz HWIJLYHHWPOOGA-UHFFFAOYSA-N 1 3 309.417 2.725 20 30 DFEDHO [NH2+]=C(NCC1CCN(c2ccncc2)CC1)NC1CCCCC1 ZINC000179738484 333154969 /nfs/dbraw/zinc/15/49/69/333154969.db2.gz MPPVIUABZOBPCD-UHFFFAOYSA-N 1 3 315.465 2.535 20 30 DFEDHO C#CCN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000294949883 335129228 /nfs/dbraw/zinc/12/92/28/335129228.db2.gz INGLHPGLNRKPQS-QUCCMNQESA-N 1 3 313.489 2.584 20 30 DFEDHO CN(C)C(=[NH+]C[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1)N(C)C ZINC000364205597 333272283 /nfs/dbraw/zinc/27/22/83/333272283.db2.gz HJSZKPNAQDAPCT-GDBMZVCRSA-N 1 3 322.884 2.812 20 30 DFEDHO C=CCCCC[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414200530 333913381 /nfs/dbraw/zinc/91/33/81/333913381.db2.gz RYPYYGDXQPQEQM-SFHVURJKSA-N 1 3 323.525 2.508 20 30 DFEDHO CN(C)CCOc1ccc(CNC(=[NH2+])Nc2ccccc2)cc1 ZINC000264118416 333952739 /nfs/dbraw/zinc/95/27/39/333952739.db2.gz QKQWSGSKWLFBPO-UHFFFAOYSA-N 1 3 312.417 2.554 20 30 DFEDHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000277319170 334087730 /nfs/dbraw/zinc/08/77/30/334087730.db2.gz BZVAZJCFRZQFLI-GOSISDBHSA-N 1 3 314.477 2.953 20 30 DFEDHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000277319170 334087731 /nfs/dbraw/zinc/08/77/31/334087731.db2.gz BZVAZJCFRZQFLI-GOSISDBHSA-N 1 3 314.477 2.953 20 30 DFEDHO C[N@@H+](Cc1ccccc1)CC1CCN(CCOCCC#N)CC1 ZINC000293256514 334196544 /nfs/dbraw/zinc/19/65/44/334196544.db2.gz XFVAQPAHRITXMC-UHFFFAOYSA-N 1 3 315.461 2.761 20 30 DFEDHO C[N@H+](Cc1ccccc1)CC1CCN(CCOCCC#N)CC1 ZINC000293256514 334196545 /nfs/dbraw/zinc/19/65/45/334196545.db2.gz XFVAQPAHRITXMC-UHFFFAOYSA-N 1 3 315.461 2.761 20 30 DFEDHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)CN1CCCC1 ZINC000378459307 337073364 /nfs/dbraw/zinc/07/33/64/337073364.db2.gz ZBWXLAPKKYSONA-ZKXLYKBJSA-N 1 3 305.466 2.548 20 30 DFEDHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)CN1CCCC1 ZINC000378459302 337073419 /nfs/dbraw/zinc/07/34/19/337073419.db2.gz ZBWXLAPKKYSONA-ILOCAZANSA-N 1 3 305.466 2.548 20 30 DFEDHO CN1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1cccs1 ZINC000178583744 337165271 /nfs/dbraw/zinc/16/52/71/337165271.db2.gz LPVSHYVDRQOUQG-GOEBONIOSA-N 1 3 320.506 2.932 20 30 DFEDHO C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158685 337702052 /nfs/dbraw/zinc/70/20/52/337702052.db2.gz WYQWBGDFAKNZPE-VXIBKDFQSA-N 1 3 314.429 2.566 20 30 DFEDHO CC(C)[NH+]1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433175556 338184015 /nfs/dbraw/zinc/18/40/15/338184015.db2.gz QBLLWDVIFQXPGY-QGZVFWFLSA-N 1 3 313.445 2.748 20 30 DFEDHO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038796 185279242 /nfs/dbraw/zinc/27/92/42/185279242.db2.gz ZXCWFUOWPVLYDO-HOTGVXAUSA-N 1 3 317.477 2.668 20 30 DFEDHO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000598621246 398842481 /nfs/dbraw/zinc/84/24/81/398842481.db2.gz SXCWTFUXCQCQGP-GOSISDBHSA-N 1 3 315.461 2.541 20 30 DFEDHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C#N ZINC000600711060 399120512 /nfs/dbraw/zinc/12/05/12/399120512.db2.gz QRRRKFNYUQZBGR-QXAKKESOSA-N 1 3 313.445 2.585 20 30 DFEDHO N#Cc1ccc(CC[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000595895931 399127036 /nfs/dbraw/zinc/12/70/36/399127036.db2.gz WMUVYOMSAHNCRU-UXHICEINSA-N 1 3 305.425 2.775 20 30 DFEDHO N#Cc1ccc(CC[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000595895931 399127038 /nfs/dbraw/zinc/12/70/38/399127038.db2.gz WMUVYOMSAHNCRU-UXHICEINSA-N 1 3 305.425 2.775 20 30 DFEDHO N#Cc1ccc(CCN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000595895931 399127042 /nfs/dbraw/zinc/12/70/42/399127042.db2.gz WMUVYOMSAHNCRU-UXHICEINSA-N 1 3 305.425 2.775 20 30 DFEDHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1C#N ZINC000282471566 217019517 /nfs/dbraw/zinc/01/95/17/217019517.db2.gz WIDOPOABOFDBNC-UHFFFAOYSA-N 1 3 301.434 2.731 20 30 DFEDHO C=CCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286231496 335030674 /nfs/dbraw/zinc/03/06/74/335030674.db2.gz ZDZCXJZCHMMJEJ-FQEVSTJZSA-N 1 3 313.489 2.845 20 30 DFEDHO C=CCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286231496 335030675 /nfs/dbraw/zinc/03/06/75/335030675.db2.gz ZDZCXJZCHMMJEJ-FQEVSTJZSA-N 1 3 313.489 2.845 20 30 DFEDHO C=CCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286231504 335030901 /nfs/dbraw/zinc/03/09/01/335030901.db2.gz ZDZCXJZCHMMJEJ-HXUWFJFHSA-N 1 3 313.489 2.845 20 30 DFEDHO C=CCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286231504 335030902 /nfs/dbraw/zinc/03/09/02/335030902.db2.gz ZDZCXJZCHMMJEJ-HXUWFJFHSA-N 1 3 313.489 2.845 20 30 DFEDHO N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602168142 399404432 /nfs/dbraw/zinc/40/44/32/399404432.db2.gz UAXLLEBAQRZMLB-OKZBNKHCSA-N 1 3 311.429 2.502 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000602502192 399461801 /nfs/dbraw/zinc/46/18/01/399461801.db2.gz JFZLCFWXJGXONA-IRXDYDNUSA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000602502192 399461804 /nfs/dbraw/zinc/46/18/04/399461804.db2.gz JFZLCFWXJGXONA-IRXDYDNUSA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000602502192 399461805 /nfs/dbraw/zinc/46/18/05/399461805.db2.gz JFZLCFWXJGXONA-IRXDYDNUSA-N 1 3 307.482 2.939 20 30 DFEDHO C[C@@H](CN[C@@H](C)CC1(C#N)CCOCC1)C[NH+]1CCCCC1 ZINC000602518242 399466351 /nfs/dbraw/zinc/46/63/51/399466351.db2.gz OGWZLQTXOBQWIE-IRXDYDNUSA-N 1 3 307.482 2.797 20 30 DFEDHO C[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)CN1CCCCC1 ZINC000602518242 399466354 /nfs/dbraw/zinc/46/63/54/399466354.db2.gz OGWZLQTXOBQWIE-IRXDYDNUSA-N 1 3 307.482 2.797 20 30 DFEDHO C=CCC[C@@H](O)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000289391021 335062853 /nfs/dbraw/zinc/06/28/53/335062853.db2.gz QYWWRRDBEBSGFR-MRXNPFEDSA-N 1 3 311.429 2.684 20 30 DFEDHO C[NH+](C)Cc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123186182 195553837 /nfs/dbraw/zinc/55/38/37/195553837.db2.gz ROQUVHAPGFEDKM-UHFFFAOYSA-N 1 3 319.412 2.557 20 30 DFEDHO C=CCc1cc(C[N@H+](CC)CCCN(C)C)cc(OC)c1O ZINC000289511903 335064169 /nfs/dbraw/zinc/06/41/69/335064169.db2.gz URVPRWMVZYNEQD-UHFFFAOYSA-N 1 3 306.450 2.903 20 30 DFEDHO C=CCc1cc(C[N@@H+](CC)CCCN(C)C)cc(OC)c1O ZINC000289511903 335064171 /nfs/dbraw/zinc/06/41/71/335064171.db2.gz URVPRWMVZYNEQD-UHFFFAOYSA-N 1 3 306.450 2.903 20 30 DFEDHO N#Cc1ccccc1OCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000052441470 425884508 /nfs/dbraw/zinc/88/45/08/425884508.db2.gz PDOMYUINKHMQEA-UHFFFAOYSA-N 1 3 313.445 2.745 20 30 DFEDHO N#Cc1ccccc1N1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166555852 426128403 /nfs/dbraw/zinc/12/84/03/426128403.db2.gz YQKAISDGUWPQFZ-CEXWTWQISA-N 1 3 324.472 2.743 20 30 DFEDHO N#Cc1ccccc1N1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166555852 426128405 /nfs/dbraw/zinc/12/84/05/426128405.db2.gz YQKAISDGUWPQFZ-CEXWTWQISA-N 1 3 324.472 2.743 20 30 DFEDHO CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289400903 426647823 /nfs/dbraw/zinc/64/78/23/426647823.db2.gz GMVUFSKJUKIDFZ-UHFFFAOYSA-N 1 3 310.445 2.980 20 30 DFEDHO C#CCCOc1ccc(CNC[C@@H](CC[NH+](C)C)OCC)cc1 ZINC000267842826 426885538 /nfs/dbraw/zinc/88/55/38/426885538.db2.gz BXSGVVZVAVNYGL-LJQANCHMSA-N 1 3 318.461 2.535 20 30 DFEDHO C[N@H+](CCCOc1cccc(C#N)c1)CCCN1CCCC1 ZINC000337285024 427831972 /nfs/dbraw/zinc/83/19/72/427831972.db2.gz ZNQGTPNWUSCKNL-UHFFFAOYSA-N 1 3 301.434 2.745 20 30 DFEDHO C[N@@H+](CCCOc1cccc(C#N)c1)CCCN1CCCC1 ZINC000337285024 427831974 /nfs/dbraw/zinc/83/19/74/427831974.db2.gz ZNQGTPNWUSCKNL-UHFFFAOYSA-N 1 3 301.434 2.745 20 30 DFEDHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349822718 427872606 /nfs/dbraw/zinc/87/26/06/427872606.db2.gz QPWGNDWPUWYLEJ-IAGOWNOFSA-N 1 3 301.434 2.799 20 30 DFEDHO CC(C)N(CCNC(=[NH2+])N[C@H]1CCOc2ccccc21)C(C)C ZINC000304464167 427939131 /nfs/dbraw/zinc/93/91/31/427939131.db2.gz AIWJHHDLFQTZSJ-INIZCTEOSA-N 1 3 318.465 2.533 20 30 DFEDHO C=CCc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(OC)c1O ZINC000346848873 428346064 /nfs/dbraw/zinc/34/60/64/428346064.db2.gz OODQDXDCXRIROC-ULQDDVLXSA-N 1 3 316.445 2.689 20 30 DFEDHO COc1cc(CNCc2ccc(C[NH+](C)C)cc2)ccc1C#N ZINC000353247646 428450261 /nfs/dbraw/zinc/45/02/61/428450261.db2.gz JYVIACOMTXYXAR-UHFFFAOYSA-N 1 3 309.413 2.918 20 30 DFEDHO C=CCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000373202631 428523412 /nfs/dbraw/zinc/52/34/12/428523412.db2.gz CTYFROHINQNBMH-LDLYASANSA-N 1 3 300.446 2.974 20 30 DFEDHO C=CCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000373202631 428523417 /nfs/dbraw/zinc/52/34/17/428523417.db2.gz CTYFROHINQNBMH-LDLYASANSA-N 1 3 300.446 2.974 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361711679 428590516 /nfs/dbraw/zinc/59/05/16/428590516.db2.gz LOCOPYDQRAIPPS-NXHRZFHOSA-N 1 3 311.429 2.659 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361711679 428590523 /nfs/dbraw/zinc/59/05/23/428590523.db2.gz LOCOPYDQRAIPPS-NXHRZFHOSA-N 1 3 311.429 2.659 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000453348702 429148048 /nfs/dbraw/zinc/14/80/48/429148048.db2.gz IAJJYHNJGRWMCJ-IVDHNXQLSA-N 1 3 312.457 2.830 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000453348702 429148054 /nfs/dbraw/zinc/14/80/54/429148054.db2.gz IAJJYHNJGRWMCJ-IVDHNXQLSA-N 1 3 312.457 2.830 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000453348702 429148058 /nfs/dbraw/zinc/14/80/58/429148058.db2.gz IAJJYHNJGRWMCJ-IVDHNXQLSA-N 1 3 312.457 2.830 20 30 DFEDHO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OCCN(C)C)cc1 ZINC000424316080 429125386 /nfs/dbraw/zinc/12/53/86/429125386.db2.gz AKTRWDVODYXPCC-YQQAZPJKSA-N 1 3 301.434 2.970 20 30 DFEDHO C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000424316080 429125388 /nfs/dbraw/zinc/12/53/88/429125388.db2.gz AKTRWDVODYXPCC-YQQAZPJKSA-N 1 3 301.434 2.970 20 30 DFEDHO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000521423827 429550685 /nfs/dbraw/zinc/55/06/85/429550685.db2.gz XEOXKNBUVFWSME-IWCVFHTOSA-N 1 3 313.445 2.965 20 30 DFEDHO C=CCOCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000368474662 429853298 /nfs/dbraw/zinc/85/32/98/429853298.db2.gz MPDRXLYHSRUWJO-UHFFFAOYSA-N 1 3 317.477 2.509 20 30 DFEDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000369343479 429925280 /nfs/dbraw/zinc/92/52/80/429925280.db2.gz NOROFNKFSNJGNM-MNEFBYGVSA-N 1 3 313.445 2.537 20 30 DFEDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000369343479 429925283 /nfs/dbraw/zinc/92/52/83/429925283.db2.gz NOROFNKFSNJGNM-MNEFBYGVSA-N 1 3 313.445 2.537 20 30 DFEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCCC(C)(C)C#N ZINC000369350893 429927897 /nfs/dbraw/zinc/92/78/97/429927897.db2.gz XSEHAJOVHKZSBQ-BRWVUGGUSA-N 1 3 307.482 2.890 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000574097292 430010183 /nfs/dbraw/zinc/01/01/83/430010183.db2.gz JPAKIQJJMSIPOK-UHFFFAOYSA-N 1 3 321.509 2.798 20 30 DFEDHO C=C(C)CN1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000574097292 430010185 /nfs/dbraw/zinc/01/01/85/430010185.db2.gz JPAKIQJJMSIPOK-UHFFFAOYSA-N 1 3 321.509 2.798 20 30 DFEDHO C=CC[C@@]1(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662680278 431159196 /nfs/dbraw/zinc/15/91/96/431159196.db2.gz UMJNOWURICDOGC-HKUYNNGSSA-N 1 3 321.509 2.557 20 30 DFEDHO C=CC[C@@]1(C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662680281 431159948 /nfs/dbraw/zinc/15/99/48/431159948.db2.gz UMJNOWURICDOGC-MJGOQNOKSA-N 1 3 321.509 2.557 20 30 DFEDHO C[C@H](c1ccc(C#N)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180962797 290217655 /nfs/dbraw/zinc/21/76/55/290217655.db2.gz YENLYHXISIXQSF-MRXNPFEDSA-N 1 3 314.477 2.577 20 30 DFEDHO C[C@H](c1ccc(C#N)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180962797 290217663 /nfs/dbraw/zinc/21/76/63/290217663.db2.gz YENLYHXISIXQSF-MRXNPFEDSA-N 1 3 314.477 2.577 20 30 DFEDHO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000521423826 300526414 /nfs/dbraw/zinc/52/64/14/300526414.db2.gz XEOXKNBUVFWSME-AGERRDQYSA-N 1 3 313.445 2.965 20 30 DFEDHO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000565844291 302244744 /nfs/dbraw/zinc/24/47/44/302244744.db2.gz XTPZABZHHSTXAD-ORBLRFAASA-N 1 3 314.433 2.503 20 30 DFEDHO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000237823094 332392744 /nfs/dbraw/zinc/39/27/44/332392744.db2.gz XVHAQOMNDNGPDI-QGZVFWFLSA-N 1 3 313.445 2.943 20 30 DFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000175007685 333093600 /nfs/dbraw/zinc/09/36/00/333093600.db2.gz SORWFPAGJHFMLB-PKOBYXMFSA-N 1 3 314.477 2.999 20 30 DFEDHO C[NH+]=C(NCc1sccc1C)N1CC[C@H](N2CCCCC2)C1 ZINC000262428578 333858473 /nfs/dbraw/zinc/85/84/73/333858473.db2.gz DIWLNENXQSXDPA-HNNXBMFYSA-N 1 3 320.506 2.692 20 30 DFEDHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000290450239 334172863 /nfs/dbraw/zinc/17/28/63/334172863.db2.gz VYISETBBYGEEAC-WBVHZDCISA-N 1 3 316.449 2.584 20 30 DFEDHO N#CC1(CCC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CCOCC1 ZINC000366849915 335203209 /nfs/dbraw/zinc/20/32/09/335203209.db2.gz JNMMJTPZPWLYNI-SFHVURJKSA-N 1 3 319.493 2.895 20 30 DFEDHO N#CC1(CCC[N@H+]2CC[C@@H](CN3CCCCC3)C2)CCOCC1 ZINC000366849915 335203211 /nfs/dbraw/zinc/20/32/11/335203211.db2.gz JNMMJTPZPWLYNI-SFHVURJKSA-N 1 3 319.493 2.895 20 30 DFEDHO C=CCC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000305092842 337013189 /nfs/dbraw/zinc/01/31/89/337013189.db2.gz QODDWJWLUIDSIG-SCTDSRPQSA-N 1 3 324.509 2.525 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000453372811 338833677 /nfs/dbraw/zinc/83/36/77/338833677.db2.gz VUKZTQUKTDOZIK-OLMNPRSZSA-N 1 3 304.434 2.621 20 30 DFEDHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(C#N)cc1 ZINC000278295833 214072813 /nfs/dbraw/zinc/07/28/13/214072813.db2.gz RJDMGEFHKLTXAK-IBGZPJMESA-N 1 3 314.477 2.625 20 30 DFEDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594497174 398810115 /nfs/dbraw/zinc/81/01/15/398810115.db2.gz DIJNTQLUYDYQLD-GOSISDBHSA-N 1 3 317.477 2.934 20 30 DFEDHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1C#N ZINC000594736774 398852307 /nfs/dbraw/zinc/85/23/07/398852307.db2.gz URDOBEPNKUUNMN-GOSISDBHSA-N 1 3 313.445 2.778 20 30 DFEDHO CN1CCC[C@H]1CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595764152 399075640 /nfs/dbraw/zinc/07/56/40/399075640.db2.gz FFVULDPQWHTBER-SFHVURJKSA-N 1 3 313.445 2.638 20 30 DFEDHO Cc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1C#N ZINC000600712106 399120471 /nfs/dbraw/zinc/12/04/71/399120471.db2.gz WGEJOANRKXOFKF-RTBURBONSA-N 1 3 313.445 2.585 20 30 DFEDHO C[C@@H](CCNC[C@@H](O)CC1(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000600726697 399126828 /nfs/dbraw/zinc/12/68/28/399126828.db2.gz GSKONVXZGJCVSD-WMZOPIPTSA-N 1 3 315.461 2.541 20 30 DFEDHO C[C@@H](CCNC[C@@H](O)CC1(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000600726697 399126834 /nfs/dbraw/zinc/12/68/34/399126834.db2.gz GSKONVXZGJCVSD-WMZOPIPTSA-N 1 3 315.461 2.541 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000602516231 399465702 /nfs/dbraw/zinc/46/57/02/399465702.db2.gz WKDCOXZJKMQAFZ-ZACQAIPSSA-N 1 3 307.482 2.795 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000602516231 399465705 /nfs/dbraw/zinc/46/57/05/399465705.db2.gz WKDCOXZJKMQAFZ-ZACQAIPSSA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602581275 399482245 /nfs/dbraw/zinc/48/22/45/399482245.db2.gz JENWBGITKWDCAI-DLBZAZTESA-N 1 3 307.482 2.795 20 30 DFEDHO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602581275 399482248 /nfs/dbraw/zinc/48/22/48/399482248.db2.gz JENWBGITKWDCAI-DLBZAZTESA-N 1 3 307.482 2.795 20 30 DFEDHO N#CC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000602707522 399531123 /nfs/dbraw/zinc/53/11/23/399531123.db2.gz KGDJOIRPMMAODN-UHFFFAOYSA-N 1 3 312.461 2.966 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000602715908 399534902 /nfs/dbraw/zinc/53/49/02/399534902.db2.gz PVGZMACMUCKONQ-AEFFLSMTSA-N 1 3 319.493 2.797 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000602715908 399534910 /nfs/dbraw/zinc/53/49/10/399534910.db2.gz PVGZMACMUCKONQ-AEFFLSMTSA-N 1 3 319.493 2.797 20 30 DFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000602715908 399534916 /nfs/dbraw/zinc/53/49/16/399534916.db2.gz PVGZMACMUCKONQ-AEFFLSMTSA-N 1 3 319.493 2.797 20 30 DFEDHO Cc1cc(C#N)ccc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847082 399600491 /nfs/dbraw/zinc/60/04/91/399600491.db2.gz SKLVMCRSKSWQRL-UHFFFAOYSA-N 1 3 306.413 2.974 20 30 DFEDHO C=CC[C@H]1CCN(CC2(C[N@@H+]3CC[C@H](CC=C)C3)COC2)C1 ZINC000625700886 399617627 /nfs/dbraw/zinc/61/76/27/399617627.db2.gz FOCYYDNARGTPBM-ROUUACIJSA-N 1 3 304.478 2.799 20 30 DFEDHO C=CC[C@H]1CCN(CC2(C[N@H+]3CC[C@H](CC=C)C3)COC2)C1 ZINC000625700886 399617632 /nfs/dbraw/zinc/61/76/32/399617632.db2.gz FOCYYDNARGTPBM-ROUUACIJSA-N 1 3 304.478 2.799 20 30 DFEDHO C=CCC1([NH2+]CC(=O)NC2CCN(C3CC3)CC2)CCCCC1 ZINC000625936147 399691870 /nfs/dbraw/zinc/69/18/70/399691870.db2.gz BDWQLCWKHSHMHT-UHFFFAOYSA-N 1 3 319.493 2.598 20 30 DFEDHO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCCC1 ZINC000617503638 399720745 /nfs/dbraw/zinc/72/07/45/399720745.db2.gz RYJIUUDLFSGLDR-KRWDZBQOSA-N 1 3 323.525 2.901 20 30 DFEDHO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCCC1 ZINC000617503638 399720748 /nfs/dbraw/zinc/72/07/48/399720748.db2.gz RYJIUUDLFSGLDR-KRWDZBQOSA-N 1 3 323.525 2.901 20 30 DFEDHO C=CCN(CC=C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000166130492 542750166 /nfs/dbraw/zinc/75/01/66/542750166.db2.gz VICIPBXDMHKHIE-IPMKNSEASA-N 1 3 305.510 2.901 20 30 DFEDHO C=CCN(CC=C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000166130492 542750167 /nfs/dbraw/zinc/75/01/67/542750167.db2.gz VICIPBXDMHKHIE-IPMKNSEASA-N 1 3 305.510 2.901 20 30 DFEDHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000062252863 425900103 /nfs/dbraw/zinc/90/01/03/425900103.db2.gz XDUXVCJCJOROMU-HOTGVXAUSA-N 1 3 301.434 2.537 20 30 DFEDHO CCC([NH3+])(CC)CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423291430 270000775 /nfs/dbraw/zinc/00/07/75/270000775.db2.gz IGSVYXOEJGBROL-UHFFFAOYSA-N 1 3 300.450 2.634 20 30 DFEDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488440666 267058440 /nfs/dbraw/zinc/05/84/40/267058440.db2.gz BSTNECCSRDSRJW-LJQANCHMSA-N 1 3 315.461 2.799 20 30 DFEDHO C[NH+](C)CCCC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000123294305 426424848 /nfs/dbraw/zinc/42/48/48/426424848.db2.gz CKTFQVFUDWNDQU-LJQANCHMSA-N 1 3 315.461 2.645 20 30 DFEDHO CC1CCN(C(=[NH2+])NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000195164936 426505482 /nfs/dbraw/zinc/50/54/82/426505482.db2.gz MTABEBPBSNUARE-SFHVURJKSA-N 1 3 314.477 2.555 20 30 DFEDHO C[C@@H](c1cccc(C#N)c1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000189976889 426991442 /nfs/dbraw/zinc/99/14/42/426991442.db2.gz RDSCGYZILKFRKX-INIZCTEOSA-N 1 3 314.477 2.577 20 30 DFEDHO C[C@@H](c1cccc(C#N)c1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000189976889 426991452 /nfs/dbraw/zinc/99/14/52/426991452.db2.gz RDSCGYZILKFRKX-INIZCTEOSA-N 1 3 314.477 2.577 20 30 DFEDHO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000276578385 427104424 /nfs/dbraw/zinc/10/44/24/427104424.db2.gz AQLNQALWJYKAJS-APWZRJJASA-N 1 3 322.456 2.897 20 30 DFEDHO CCC1(CNC(=O)C(C)C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000338269118 427227685 /nfs/dbraw/zinc/22/76/85/427227685.db2.gz FUZKAVYWNYTKOI-INIZCTEOSA-N 1 3 313.445 2.955 20 30 DFEDHO CC[NH+]=C(NCc1ccsc1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261959906 427346506 /nfs/dbraw/zinc/34/65/06/427346506.db2.gz JXHILACDXXRCLL-UKRRQHHQSA-N 1 3 308.495 2.532 20 30 DFEDHO CCCC[N@H+](C)CC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191228819 427291739 /nfs/dbraw/zinc/29/17/39/427291739.db2.gz TZTQDPWMORUNPT-UHFFFAOYSA-N 1 3 302.466 2.841 20 30 DFEDHO CCCC[N@@H+](C)CC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191228819 427291744 /nfs/dbraw/zinc/29/17/44/427291744.db2.gz TZTQDPWMORUNPT-UHFFFAOYSA-N 1 3 302.466 2.841 20 30 DFEDHO C=CCCOCCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271520616 427568260 /nfs/dbraw/zinc/56/82/60/427568260.db2.gz OITSMAIJQRVGRS-MRXNPFEDSA-N 1 3 306.450 2.870 20 30 DFEDHO C[N@H+]1CC=C(CNCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352821990 428265232 /nfs/dbraw/zinc/26/52/32/428265232.db2.gz CAXTXMANTPBKDR-UHFFFAOYSA-N 1 3 309.335 2.929 20 30 DFEDHO C[N@@H+]1CC=C(CNCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352821990 428265235 /nfs/dbraw/zinc/26/52/35/428265235.db2.gz CAXTXMANTPBKDR-UHFFFAOYSA-N 1 3 309.335 2.929 20 30 DFEDHO C=CCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000373202632 428524365 /nfs/dbraw/zinc/52/43/65/428524365.db2.gz CTYFROHINQNBMH-REPLKXPHSA-N 1 3 300.446 2.974 20 30 DFEDHO C=CCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000373202632 428524372 /nfs/dbraw/zinc/52/43/72/428524372.db2.gz CTYFROHINQNBMH-REPLKXPHSA-N 1 3 300.446 2.974 20 30 DFEDHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426765766 429414246 /nfs/dbraw/zinc/41/42/46/429414246.db2.gz SAKTYDWERBTZIS-SJLPKXTDSA-N 1 3 315.461 2.996 20 30 DFEDHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000426765766 429414250 /nfs/dbraw/zinc/41/42/50/429414250.db2.gz SAKTYDWERBTZIS-SJLPKXTDSA-N 1 3 315.461 2.996 20 30 DFEDHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000432420516 429822333 /nfs/dbraw/zinc/82/23/33/429822333.db2.gz KPHWULIENOEQDU-JKSUJKDBSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000432420516 429822336 /nfs/dbraw/zinc/82/23/36/429822336.db2.gz KPHWULIENOEQDU-JKSUJKDBSA-N 1 3 301.434 2.710 20 30 DFEDHO C[C@H](NCCSCc1ccccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000581006004 430168935 /nfs/dbraw/zinc/16/89/35/430168935.db2.gz OKJUSMRXYRQNPL-HOCLYGCPSA-N 1 3 303.475 2.769 20 30 DFEDHO C[C@H]([NH2+]CCSCc1ccccc1C#N)[C@H]1CCCNC1 ZINC000581006004 430168936 /nfs/dbraw/zinc/16/89/36/430168936.db2.gz OKJUSMRXYRQNPL-HOCLYGCPSA-N 1 3 303.475 2.769 20 30 DFEDHO C[C@@H](NCCSCc1ccccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000581006002 430169260 /nfs/dbraw/zinc/16/92/60/430169260.db2.gz OKJUSMRXYRQNPL-GDBMZVCRSA-N 1 3 303.475 2.769 20 30 DFEDHO C[C@@H]([NH2+]CCSCc1ccccc1C#N)[C@@H]1CCCNC1 ZINC000581006002 430169266 /nfs/dbraw/zinc/16/92/66/430169266.db2.gz OKJUSMRXYRQNPL-GDBMZVCRSA-N 1 3 303.475 2.769 20 30 DFEDHO C=CCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000661760716 430834870 /nfs/dbraw/zinc/83/48/70/430834870.db2.gz XTCKORDBJZREEK-KRWDZBQOSA-N 1 3 317.477 2.692 20 30 DFEDHO C=CCC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccco1 ZINC000560515968 332348961 /nfs/dbraw/zinc/34/89/61/332348961.db2.gz DTQNVZBSMXENSE-KRWDZBQOSA-N 1 3 305.466 2.904 20 30 DFEDHO C=CCOc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414796306 334099592 /nfs/dbraw/zinc/09/95/92/334099592.db2.gz HLQWYWUJMZAISU-CVEARBPZSA-N 1 3 304.434 2.867 20 30 DFEDHO CN(CC#Cc1cccc(Cl)c1)CCCN(C)CC[NH+](C)C ZINC000344028280 335210440 /nfs/dbraw/zinc/21/04/40/335210440.db2.gz MTNYBOGUYQPLIJ-UHFFFAOYSA-N 1 3 321.896 2.507 20 30 DFEDHO C=CCOc1ccccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000344660497 335269596 /nfs/dbraw/zinc/26/95/96/335269596.db2.gz FLKBTJNLHKJQHZ-UHFFFAOYSA-N 1 3 318.461 2.576 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000352331392 336212815 /nfs/dbraw/zinc/21/28/15/336212815.db2.gz POXYHDFUSYUCDB-LPHOPBHVSA-N 1 3 311.429 2.661 20 30 DFEDHO CC(C#N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000352331392 336212816 /nfs/dbraw/zinc/21/28/16/336212816.db2.gz POXYHDFUSYUCDB-LPHOPBHVSA-N 1 3 311.429 2.661 20 30 DFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)C1 ZINC000362233057 336788889 /nfs/dbraw/zinc/78/88/89/336788889.db2.gz DKSWDYGHIMTXME-ZKZVPCBQSA-N 1 3 305.466 2.689 20 30 DFEDHO CC[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262474619 337618500 /nfs/dbraw/zinc/61/85/00/337618500.db2.gz PUVYQMYYMATZOK-QZTJIDSGSA-N 1 3 318.509 2.868 20 30 DFEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000424293857 337816630 /nfs/dbraw/zinc/81/66/30/337816630.db2.gz JQLKXIDSCDJCER-IEZWGBDMSA-N 1 3 318.461 2.869 20 30 DFEDHO CC(C)[NH+]1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433175555 338184043 /nfs/dbraw/zinc/18/40/43/338184043.db2.gz QBLLWDVIFQXPGY-KRWDZBQOSA-N 1 3 313.445 2.748 20 30 DFEDHO C[C@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+]1CCCC1 ZINC000433315383 338191766 /nfs/dbraw/zinc/19/17/66/338191766.db2.gz YDSSIKPHTIFSLS-AEFFLSMTSA-N 1 3 313.445 2.607 20 30 DFEDHO