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@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[N@H+](C)C1CC1 ZINC000736017591 944732548 /nfs/dbraw/zinc/73/25/48/944732548.db2.gz QSXMYDGXFPIKIK-JTQLQIEISA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)C1CC1 ZINC000736017591 944732559 /nfs/dbraw/zinc/73/25/59/944732559.db2.gz QSXMYDGXFPIKIK-JTQLQIEISA-N 0 3 358.406 0.293 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737211761 944989272 /nfs/dbraw/zinc/98/92/72/944989272.db2.gz FNHJJXBJDWEBRP-SVSAJMPUSA-N 0 3 354.418 0.583 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213745 945006584 /nfs/dbraw/zinc/00/65/84/945006584.db2.gz WRYOQOWDMLIDHZ-FEZXJWFHSA-N 0 3 368.445 0.831 20 50 FCGDHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821255217 945661003 /nfs/dbraw/zinc/66/10/03/945661003.db2.gz WNKRZRIGZMDHRQ-CQSZACIVSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821255217 945661008 /nfs/dbraw/zinc/66/10/08/945661008.db2.gz WNKRZRIGZMDHRQ-CQSZACIVSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821255217 945661015 /nfs/dbraw/zinc/66/10/15/945661015.db2.gz WNKRZRIGZMDHRQ-CQSZACIVSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821255217 945661021 /nfs/dbraw/zinc/66/10/21/945661021.db2.gz WNKRZRIGZMDHRQ-CQSZACIVSA-N 0 3 372.433 0.637 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)CCC[NH+](C)C)cc(-c2nn[n-]n2)n1C ZINC000826236144 608592720 /nfs/dbraw/zinc/59/27/20/608592720.db2.gz ZOYLISHIINZDGU-NTEUORMPSA-N 0 3 356.434 0.831 20 50 FCGDHN CC[N@H+](CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736537858 944841867 /nfs/dbraw/zinc/84/18/67/944841867.db2.gz XILBDTDGQRKZAO-UHFFFAOYSA-N 0 3 358.406 0.295 20 50 FCGDHN CC[N@@H+](CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736537858 944841872 /nfs/dbraw/zinc/84/18/72/944841872.db2.gz XILBDTDGQRKZAO-UHFFFAOYSA-N 0 3 358.406 0.295 20 50 FCGDHN CC[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736570419 944844944 /nfs/dbraw/zinc/84/49/44/944844944.db2.gz MVDKJVICPIIKKN-UHFFFAOYSA-N 0 3 358.406 0.295 20 50 FCGDHN CCN1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1 ZINC000736571035 944846703 /nfs/dbraw/zinc/84/67/03/944846703.db2.gz RJPSQIYXLLHMOE-XNTDXEJSSA-N 0 3 368.445 0.975 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NCC[N@@H+](C)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212342 944991134 /nfs/dbraw/zinc/99/11/34/944991134.db2.gz ICWJQWDIRQDVIU-RIYZIHGNSA-N 0 3 356.434 0.877 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NCC[N@H+](C)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212342 944991141 /nfs/dbraw/zinc/99/11/41/944991141.db2.gz ICWJQWDIRQDVIU-RIYZIHGNSA-N 0 3 356.434 0.877 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213785 945009707 /nfs/dbraw/zinc/00/97/07/945009707.db2.gz XBLNEKFNJQOXKE-QVYJARAXSA-N 0 3 368.445 0.831 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213785 945009716 /nfs/dbraw/zinc/00/97/16/945009716.db2.gz XBLNEKFNJQOXKE-QVYJARAXSA-N 0 3 368.445 0.831 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NCCCC[NH+](C)C)cc(-c2nn[n-]n2)n1C ZINC000737213895 945010172 /nfs/dbraw/zinc/01/01/72/945010172.db2.gz YHTWBCQSUAOCHR-ZROIWOOFSA-N 0 3 356.434 0.879 20 50 FCGDHN CC(C)[N@H+]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000820752951 945551776 /nfs/dbraw/zinc/55/17/76/945551776.db2.gz UTJCZOAAEOBEMS-FZMZJTMJSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@@H+]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000820752951 945551779 /nfs/dbraw/zinc/55/17/79/945551779.db2.gz UTJCZOAAEOBEMS-FZMZJTMJSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000820752951 945551787 /nfs/dbraw/zinc/55/17/87/945551787.db2.gz UTJCZOAAEOBEMS-FZMZJTMJSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@@H+]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000820752951 945551795 /nfs/dbraw/zinc/55/17/95/945551795.db2.gz UTJCZOAAEOBEMS-FZMZJTMJSA-N 0 3 372.433 0.539 20 50 FCGDHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821581351 945723298 /nfs/dbraw/zinc/72/32/98/945723298.db2.gz JGFHEZQHFSXQDM-KGLIPLIRSA-N 0 3 372.433 0.684 20 50 FCGDHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821581351 945723302 /nfs/dbraw/zinc/72/33/02/945723302.db2.gz JGFHEZQHFSXQDM-KGLIPLIRSA-N 0 3 372.433 0.684 20 50 FCGDHN CN(CCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc[nH+]cc1 ZINC000825914437 947366858 /nfs/dbraw/zinc/36/68/58/947366858.db2.gz FGMAPXOAHKCFDY-UHFFFAOYSA-N 0 3 366.385 0.549 20 50 FCGDHN O=C(CCCC[NH+]1CCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737825759 945133328 /nfs/dbraw/zinc/13/33/28/945133328.db2.gz PAQLWNFDMYFPBA-UHFFFAOYSA-N 0 3 357.418 0.894 20 50 FCGDHN O=C(CCCC[NH+]1CCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737825759 945133335 /nfs/dbraw/zinc/13/33/35/945133335.db2.gz PAQLWNFDMYFPBA-UHFFFAOYSA-N 0 3 357.418 0.894 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000738137639 945245762 /nfs/dbraw/zinc/24/57/62/945245762.db2.gz WWERMCSZGDIYIA-AWEZNQCLSA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000738137639 945245768 /nfs/dbraw/zinc/24/57/68/945245768.db2.gz WWERMCSZGDIYIA-AWEZNQCLSA-N 0 3 370.417 0.295 20 50 FCGDHN CCCC[N@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736453514 944826890 /nfs/dbraw/zinc/82/68/90/944826890.db2.gz OVMWGQDPTMHKTO-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCCC[N@@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736453514 944826900 /nfs/dbraw/zinc/82/69/00/944826900.db2.gz OVMWGQDPTMHKTO-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCCC[N@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736453514 944826906 /nfs/dbraw/zinc/82/69/06/944826906.db2.gz OVMWGQDPTMHKTO-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCCC[N@@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736453514 944826918 /nfs/dbraw/zinc/82/69/18/944826918.db2.gz OVMWGQDPTMHKTO-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CC[NH+](CC)CCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736530353 944838361 /nfs/dbraw/zinc/83/83/61/944838361.db2.gz IIBPBJPYJVYUEX-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CC[NH+](CC)CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736530353 944838366 /nfs/dbraw/zinc/83/83/66/944838366.db2.gz IIBPBJPYJVYUEX-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN COCC[N@@H+]1CCC[C@H]1CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000737005503 944931768 /nfs/dbraw/zinc/93/17/68/944931768.db2.gz BJKAVDWBGJHCDZ-AWEZNQCLSA-N 0 3 360.422 0.604 20 50 FCGDHN COCC[N@H+]1CCC[C@H]1CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000737005503 944931776 /nfs/dbraw/zinc/93/17/76/944931776.db2.gz BJKAVDWBGJHCDZ-AWEZNQCLSA-N 0 3 360.422 0.604 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@H]2CC[N@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213364 945000308 /nfs/dbraw/zinc/00/03/08/945000308.db2.gz RRXNQWAPSPQZJH-KXQKXUNCSA-N 0 3 354.418 0.489 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213364 945000320 /nfs/dbraw/zinc/00/03/20/945000320.db2.gz RRXNQWAPSPQZJH-KXQKXUNCSA-N 0 3 354.418 0.489 20 50 FCGDHN C[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C[NH+](C)C ZINC000820374216 945437384 /nfs/dbraw/zinc/43/73/84/945437384.db2.gz NDANMJJMUQTWOB-NSHDSACASA-N 0 3 374.449 0.787 20 50 FCGDHN C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C[NH+](C)C ZINC000820374216 945437388 /nfs/dbraw/zinc/43/73/88/945437388.db2.gz NDANMJJMUQTWOB-NSHDSACASA-N 0 3 374.449 0.787 20 50 FCGDHN C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC000820658639 945514537 /nfs/dbraw/zinc/51/45/37/945514537.db2.gz UKVOLWQGTVPQSJ-MFKMUULPSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC000820658639 945514540 /nfs/dbraw/zinc/51/45/40/945514540.db2.gz UKVOLWQGTVPQSJ-MFKMUULPSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC000820658640 945515158 /nfs/dbraw/zinc/51/51/58/945515158.db2.gz UKVOLWQGTVPQSJ-ZWNOBZJWSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC000820658640 945515160 /nfs/dbraw/zinc/51/51/60/945515160.db2.gz UKVOLWQGTVPQSJ-ZWNOBZJWSA-N 0 3 358.406 0.293 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738136395 945233206 /nfs/dbraw/zinc/23/32/06/945233206.db2.gz LAWGKGHMWSSPHL-ZIAGYGMSSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000738136395 945233213 /nfs/dbraw/zinc/23/32/13/945233213.db2.gz LAWGKGHMWSSPHL-ZIAGYGMSSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738136395 945233219 /nfs/dbraw/zinc/23/32/19/945233219.db2.gz LAWGKGHMWSSPHL-ZIAGYGMSSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000738136395 945233226 /nfs/dbraw/zinc/23/32/26/945233226.db2.gz LAWGKGHMWSSPHL-ZIAGYGMSSA-N 0 3 370.417 0.438 20 50 FCGDHN CC[NH+]1CCC(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736566377 944844800 /nfs/dbraw/zinc/84/48/00/944844800.db2.gz ZNVGNUSMGXNNHH-UHFFFAOYSA-N 0 3 372.433 0.543 20 50 FCGDHN CC[NH+]1CCC(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736566377 944844803 /nfs/dbraw/zinc/84/48/03/944844803.db2.gz ZNVGNUSMGXNNHH-UHFFFAOYSA-N 0 3 372.433 0.543 20 50 FCGDHN CC[N@@H+]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736572261 944846996 /nfs/dbraw/zinc/84/69/96/944846996.db2.gz WQOHKCGJADFPLX-CQSZACIVSA-N 0 3 372.433 0.685 20 50 FCGDHN CC[N@H+]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736572261 944847004 /nfs/dbraw/zinc/84/70/04/944847004.db2.gz WQOHKCGJADFPLX-CQSZACIVSA-N 0 3 372.433 0.685 20 50 FCGDHN C[NH+](C)CCCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736759207 944883502 /nfs/dbraw/zinc/88/35/02/944883502.db2.gz PYDXNFZBMHELTL-UHFFFAOYSA-N 0 3 361.406 0.125 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737211399 944985340 /nfs/dbraw/zinc/98/53/40/944985340.db2.gz BYPQHZVXOLMJRI-UJMHRVFCSA-N 0 3 368.445 0.973 20 50 FCGDHN CC[C@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820901678 945586655 /nfs/dbraw/zinc/58/66/55/945586655.db2.gz DIYROMRAWIRJRJ-CQSZACIVSA-N 0 3 372.433 0.685 20 50 FCGDHN CC[C@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820901678 945586657 /nfs/dbraw/zinc/58/66/57/945586657.db2.gz DIYROMRAWIRJRJ-CQSZACIVSA-N 0 3 372.433 0.685 20 50 FCGDHN CC[N@H+]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000821239808 945656147 /nfs/dbraw/zinc/65/61/47/945656147.db2.gz CZOFHMRBRMSGFL-GWCFXTLKSA-N 0 3 358.406 0.151 20 50 FCGDHN CC[N@@H+]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000821239808 945656152 /nfs/dbraw/zinc/65/61/52/945656152.db2.gz CZOFHMRBRMSGFL-GWCFXTLKSA-N 0 3 358.406 0.151 20 50 FCGDHN CCC[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736479221 944830353 /nfs/dbraw/zinc/83/03/53/944830353.db2.gz DSCXULAUHIIESA-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN CCC[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736479221 944830356 /nfs/dbraw/zinc/83/03/56/944830356.db2.gz DSCXULAUHIIESA-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN CC[N@@H+]1CCC[C@H]1CNC(=S)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736570422 944845963 /nfs/dbraw/zinc/84/59/63/944845963.db2.gz MWKAPIKQUCSREF-ZDUSSCGKSA-N 0 3 374.474 0.460 20 50 FCGDHN CC[N@H+]1CCC[C@H]1CNC(=S)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736570422 944845979 /nfs/dbraw/zinc/84/59/79/944845979.db2.gz MWKAPIKQUCSREF-ZDUSSCGKSA-N 0 3 374.474 0.460 20 50 FCGDHN CN(CC1CC[NH+](C)CC1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736847122 944898281 /nfs/dbraw/zinc/89/82/81/944898281.db2.gz FCBKVSRFDIUNJW-UHFFFAOYSA-N 0 3 372.433 0.495 20 50 FCGDHN CN(CC1CC[NH+](C)CC1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736847122 944898291 /nfs/dbraw/zinc/89/82/91/944898291.db2.gz FCBKVSRFDIUNJW-UHFFFAOYSA-N 0 3 372.433 0.495 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N[C@H](C)CC[NH+](C)C)cc(-c2nn[n-]n2)n1C ZINC000737212534 944993194 /nfs/dbraw/zinc/99/31/94/944993194.db2.gz KRCCJIONIRZZOU-ZEVOCZHWSA-N 0 3 356.434 0.877 20 50 FCGDHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820752271 945548254 /nfs/dbraw/zinc/54/82/54/945548254.db2.gz LMSMIIJFRADKJW-BXUZGUMPSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820752271 945548260 /nfs/dbraw/zinc/54/82/60/945548260.db2.gz LMSMIIJFRADKJW-BXUZGUMPSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820752271 945548264 /nfs/dbraw/zinc/54/82/64/945548264.db2.gz LMSMIIJFRADKJW-BXUZGUMPSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820752271 945548271 /nfs/dbraw/zinc/54/82/71/945548271.db2.gz LMSMIIJFRADKJW-BXUZGUMPSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820752950 945551409 /nfs/dbraw/zinc/55/14/09/945551409.db2.gz UTJCZOAAEOBEMS-BXUZGUMPSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820752950 945551415 /nfs/dbraw/zinc/55/14/15/945551415.db2.gz UTJCZOAAEOBEMS-BXUZGUMPSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820752950 945551427 /nfs/dbraw/zinc/55/14/27/945551427.db2.gz UTJCZOAAEOBEMS-BXUZGUMPSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820752950 945551436 /nfs/dbraw/zinc/55/14/36/945551436.db2.gz UTJCZOAAEOBEMS-BXUZGUMPSA-N 0 3 372.433 0.539 20 50 FCGDHN CC[NH+](CC)CCC(=O)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736534130 944839930 /nfs/dbraw/zinc/83/99/30/944839930.db2.gz MPFQSLBPVOMLDN-UHFFFAOYSA-N 0 3 355.406 0.696 20 50 FCGDHN CC[NH+](CC)CCC(=O)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736534130 944839936 /nfs/dbraw/zinc/83/99/36/944839936.db2.gz MPFQSLBPVOMLDN-UHFFFAOYSA-N 0 3 355.406 0.696 20 50 FCGDHN CC[N@H+](CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736537485 944841157 /nfs/dbraw/zinc/84/11/57/944841157.db2.gz UCOIWOFVPJGNRE-UHFFFAOYSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[N@@H+](CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736537485 944841165 /nfs/dbraw/zinc/84/11/65/944841165.db2.gz UCOIWOFVPJGNRE-UHFFFAOYSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[N@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736537485 944841172 /nfs/dbraw/zinc/84/11/72/944841172.db2.gz UCOIWOFVPJGNRE-UHFFFAOYSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[N@@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736537485 944841178 /nfs/dbraw/zinc/84/11/78/944841178.db2.gz UCOIWOFVPJGNRE-UHFFFAOYSA-N 0 3 360.422 0.541 20 50 FCGDHN COCCC[NH+]1CCC(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736982462 944927645 /nfs/dbraw/zinc/92/76/45/944927645.db2.gz XGZKKHBTJLTXKD-UHFFFAOYSA-N 0 3 374.449 0.994 20 50 FCGDHN COCCC[NH+]1CCC(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736982462 944927649 /nfs/dbraw/zinc/92/76/49/944927649.db2.gz XGZKKHBTJLTXKD-UHFFFAOYSA-N 0 3 374.449 0.994 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213666 945005759 /nfs/dbraw/zinc/00/57/59/945005759.db2.gz VOKRAJORCXDRNX-BJYOIMKBSA-N 0 3 368.445 0.829 20 50 FCGDHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821581482 945722262 /nfs/dbraw/zinc/72/22/62/945722262.db2.gz MLPNBJJKUSDIMW-KBPBESRZSA-N 0 3 372.433 0.684 20 50 FCGDHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821581482 945722267 /nfs/dbraw/zinc/72/22/67/945722267.db2.gz MLPNBJJKUSDIMW-KBPBESRZSA-N 0 3 372.433 0.684 20 50 FCGDHN O=C(CCCC[NH+]1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737825652 945132923 /nfs/dbraw/zinc/13/29/23/945132923.db2.gz NLNAMZVKUAUFEN-UHFFFAOYSA-N 0 3 357.418 0.894 20 50 FCGDHN O=C(CCCC[NH+]1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737825652 945132925 /nfs/dbraw/zinc/13/29/25/945132925.db2.gz NLNAMZVKUAUFEN-UHFFFAOYSA-N 0 3 357.418 0.894 20 50 FCGDHN C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C[NH+]1CCCC1 ZINC000736017586 944733336 /nfs/dbraw/zinc/73/33/36/944733336.db2.gz QRCVSNCDXOZBAQ-LBPRGKRZSA-N 0 3 372.433 0.543 20 50 FCGDHN C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C[NH+]1CCCC1 ZINC000736017586 944733344 /nfs/dbraw/zinc/73/33/44/944733344.db2.gz QRCVSNCDXOZBAQ-LBPRGKRZSA-N 0 3 372.433 0.543 20 50 FCGDHN CC[NH+](CC)C[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736534126 944840985 /nfs/dbraw/zinc/84/09/85/944840985.db2.gz MNCQMAYEMATAOL-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[NH+](CC)C[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736534126 944840988 /nfs/dbraw/zinc/84/09/88/944840988.db2.gz MNCQMAYEMATAOL-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212377 944992565 /nfs/dbraw/zinc/99/25/65/944992565.db2.gz INTNNRUQLGEJNF-XKBFBRDOSA-N 0 3 368.445 0.879 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212377 944992570 /nfs/dbraw/zinc/99/25/70/944992570.db2.gz INTNNRUQLGEJNF-XKBFBRDOSA-N 0 3 368.445 0.879 20 50 FCGDHN C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC[N@@H+]1C ZINC000820657795 945510950 /nfs/dbraw/zinc/51/09/50/945510950.db2.gz MWQOSPQAPPUZJO-ZWNOBZJWSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC[N@H+]1C ZINC000820657795 945510960 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/nfs/dbraw/zinc/73/32/66/944733266.db2.gz MUKVRCLEYVNSSX-GFCCVEGCSA-N 0 3 372.433 0.685 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NCC[N@@H+](C)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212343 944991303 /nfs/dbraw/zinc/99/13/03/944991303.db2.gz ICWJQWDIRQDVIU-ZSOIEALJSA-N 0 3 356.434 0.877 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NCC[N@H+](C)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212343 944991306 /nfs/dbraw/zinc/99/13/06/944991306.db2.gz ICWJQWDIRQDVIU-ZSOIEALJSA-N 0 3 356.434 0.877 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212372 944992596 /nfs/dbraw/zinc/99/25/96/944992596.db2.gz INTNNRUQLGEJNF-BKNIFWKGSA-N 0 3 368.445 0.879 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212372 944992600 /nfs/dbraw/zinc/99/26/00/944992600.db2.gz INTNNRUQLGEJNF-BKNIFWKGSA-N 0 3 368.445 0.879 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NCC2CC[NH+](C)CC2)cc(-c2nn[n-]n2)n1C ZINC000737213715 945005299 /nfs/dbraw/zinc/00/52/99/945005299.db2.gz WBZJBBYSIZTPQK-OVCLIPMQSA-N 0 3 368.445 0.879 20 50 FCGDHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820752953 945550576 /nfs/dbraw/zinc/55/05/76/945550576.db2.gz UTJCZOAAEOBEMS-SMDDNHRTSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820752953 945550579 /nfs/dbraw/zinc/55/05/79/945550579.db2.gz UTJCZOAAEOBEMS-SMDDNHRTSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820752953 945550587 /nfs/dbraw/zinc/55/05/87/945550587.db2.gz UTJCZOAAEOBEMS-SMDDNHRTSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820752953 945550597 /nfs/dbraw/zinc/55/05/97/945550597.db2.gz UTJCZOAAEOBEMS-SMDDNHRTSA-N 0 3 372.433 0.539 20 50 FCGDHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821255216 945661591 /nfs/dbraw/zinc/66/15/91/945661591.db2.gz WNKRZRIGZMDHRQ-AWEZNQCLSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821255216 945661595 /nfs/dbraw/zinc/66/15/95/945661595.db2.gz WNKRZRIGZMDHRQ-AWEZNQCLSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821255216 945661599 /nfs/dbraw/zinc/66/15/99/945661599.db2.gz WNKRZRIGZMDHRQ-AWEZNQCLSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821255216 945661604 /nfs/dbraw/zinc/66/16/04/945661604.db2.gz WNKRZRIGZMDHRQ-AWEZNQCLSA-N 0 3 372.433 0.637 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NCCOCC[NH+](C)C)cc(-c2nn[n-]n2)n1C ZINC000826235971 609297396 /nfs/dbraw/zinc/29/73/96/609297396.db2.gz VVHYHLJQDCREGY-NTEUORMPSA-N 0 3 372.433 0.115 20 50 FCGDHN CC[NH+](CC)[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736534174 944841820 /nfs/dbraw/zinc/84/18/20/944841820.db2.gz NWAGSHWAVGAYIX-NSHDSACASA-N 0 3 360.422 0.541 20 50 FCGDHN CC[NH+](CC)[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736534174 944841828 /nfs/dbraw/zinc/84/18/28/944841828.db2.gz NWAGSHWAVGAYIX-NSHDSACASA-N 0 3 360.422 0.541 20 50 FCGDHN C[NH+](C)[C@]1(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCSC1 ZINC000821581575 945722798 /nfs/dbraw/zinc/72/27/98/945722798.db2.gz PGDKETPBNFAZJQ-HNNXBMFYSA-N 0 3 362.463 0.930 20 50 FCGDHN CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)C(C)C ZINC000825394387 607921623 /nfs/dbraw/zinc/92/16/23/607921623.db2.gz BMCVQYRFNKXQHV-GFCCVEGCSA-N 0 3 359.434 0.994 20 50 FCGDHN CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)C(C)C ZINC000825394387 607921624 /nfs/dbraw/zinc/92/16/24/607921624.db2.gz BMCVQYRFNKXQHV-GFCCVEGCSA-N 0 3 359.434 0.994 20 50 FCGDHN O=C(NNc1ccncc1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826449154 609172954 /nfs/dbraw/zinc/17/29/54/609172954.db2.gz DUDVTZHOHWQXFC-OAHLLOKOSA-N 0 3 350.386 0.796 20 50 FCGDHN O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738050825 945176624 /nfs/dbraw/zinc/17/66/24/945176624.db2.gz WNZUMPRIXSUKSU-LLVKDONJSA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738050825 945176631 /nfs/dbraw/zinc/17/66/31/945176631.db2.gz WNZUMPRIXSUKSU-LLVKDONJSA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738050825 945176642 /nfs/dbraw/zinc/17/66/42/945176642.db2.gz WNZUMPRIXSUKSU-LLVKDONJSA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738050825 945176653 /nfs/dbraw/zinc/17/66/53/945176653.db2.gz WNZUMPRIXSUKSU-LLVKDONJSA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000738137642 945246388 /nfs/dbraw/zinc/24/63/88/945246388.db2.gz WWERMCSZGDIYIA-CQSZACIVSA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000738137642 945246396 /nfs/dbraw/zinc/24/63/96/945246396.db2.gz WWERMCSZGDIYIA-CQSZACIVSA-N 0 3 370.417 0.295 20 50 FCGDHN CC[C@@H](C)[N@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736322993 944802397 /nfs/dbraw/zinc/80/23/97/944802397.db2.gz SPNOUEDLJGZSAV-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736322993 944802402 /nfs/dbraw/zinc/80/24/02/944802402.db2.gz SPNOUEDLJGZSAV-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[C@@H](C)[N@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736322993 944802412 /nfs/dbraw/zinc/80/24/12/944802412.db2.gz SPNOUEDLJGZSAV-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736322993 944802418 /nfs/dbraw/zinc/80/24/18/944802418.db2.gz SPNOUEDLJGZSAV-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[N@@H+]1CC[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736565530 944844379 /nfs/dbraw/zinc/84/43/79/944844379.db2.gz LFWQFFQXUDZPQO-XKBFBRDOSA-N 0 3 368.445 0.879 20 50 FCGDHN CC[N@H+]1CC[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736565530 944844387 /nfs/dbraw/zinc/84/43/87/944844387.db2.gz LFWQFFQXUDZPQO-XKBFBRDOSA-N 0 3 368.445 0.879 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N[C@H]2CCN(C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212861 944996521 /nfs/dbraw/zinc/99/65/21/944996521.db2.gz NDVWISQNKQRBGQ-LVOZBFFPSA-N 0 3 366.429 0.774 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213783 945007790 /nfs/dbraw/zinc/00/77/90/945007790.db2.gz XBLNEKFNJQOXKE-FEZXJWFHSA-N 0 3 368.445 0.831 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213783 945007798 /nfs/dbraw/zinc/00/77/98/945007798.db2.gz XBLNEKFNJQOXKE-FEZXJWFHSA-N 0 3 368.445 0.831 20 50 FCGDHN CC[C@@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820901677 945585917 /nfs/dbraw/zinc/58/59/17/945585917.db2.gz DIYROMRAWIRJRJ-AWEZNQCLSA-N 0 3 372.433 0.685 20 50 FCGDHN CC[C@@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820901677 945585923 /nfs/dbraw/zinc/58/59/23/945585923.db2.gz DIYROMRAWIRJRJ-AWEZNQCLSA-N 0 3 372.433 0.685 20 50 FCGDHN C[NH+](C)[C@@]1(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCSC1 ZINC000821581576 945723754 /nfs/dbraw/zinc/72/37/54/945723754.db2.gz PGDKETPBNFAZJQ-OAHLLOKOSA-N 0 3 362.463 0.930 20 50 FCGDHN COCCN(C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000736991134 944928554 /nfs/dbraw/zinc/92/85/54/944928554.db2.gz YOAYGRDFGKHGSL-ZROIWOOFSA-N 0 3 372.433 0.115 20 50 FCGDHN CCC[N@H+](CC)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821094658 945634362 /nfs/dbraw/zinc/63/43/62/945634362.db2.gz NJWZVJQIQIBQQU-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCC[N@@H+](CC)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821094658 945634367 /nfs/dbraw/zinc/63/43/67/945634367.db2.gz NJWZVJQIQIBQQU-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCC[N@H+](CC)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821094658 945634371 /nfs/dbraw/zinc/63/43/71/945634371.db2.gz NJWZVJQIQIBQQU-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCC[N@@H+](CC)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821094658 945634373 /nfs/dbraw/zinc/63/43/73/945634373.db2.gz NJWZVJQIQIBQQU-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821581352 945723406 /nfs/dbraw/zinc/72/34/06/945723406.db2.gz JGFHEZQHFSXQDM-UONOGXRCSA-N 0 3 372.433 0.684 20 50 FCGDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821581352 945723414 /nfs/dbraw/zinc/72/34/14/945723414.db2.gz JGFHEZQHFSXQDM-UONOGXRCSA-N 0 3 372.433 0.684 20 50 FCGDHN C[NH+](C)CCn1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000825870492 608813454 /nfs/dbraw/zinc/81/34/54/608813454.db2.gz OSVQHKOVNBVQKG-UHFFFAOYSA-N 0 3 356.394 0.773 20 50 FCGDHN O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000738136055 945229767 /nfs/dbraw/zinc/22/97/67/945229767.db2.gz DUPABEWPFWEAMI-AWEZNQCLSA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000738136055 945229773 /nfs/dbraw/zinc/22/97/73/945229773.db2.gz DUPABEWPFWEAMI-AWEZNQCLSA-N 0 3 370.417 0.295 20 50 FCGDHN C[C@H]1CCC[N@H+](CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736267492 944781410 /nfs/dbraw/zinc/78/14/10/944781410.db2.gz SLKAPQSWYAMAAD-LBPRGKRZSA-N 0 3 372.433 0.543 20 50 FCGDHN C[C@H]1CCC[N@@H+](CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736267492 944781417 /nfs/dbraw/zinc/78/14/17/944781417.db2.gz SLKAPQSWYAMAAD-LBPRGKRZSA-N 0 3 372.433 0.543 20 50 FCGDHN CC[N@@H+]1CC[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736565524 944843552 /nfs/dbraw/zinc/84/35/52/944843552.db2.gz LFWQFFQXUDZPQO-BKNIFWKGSA-N 0 3 368.445 0.879 20 50 FCGDHN CC[N@H+]1CC[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736565524 944843558 /nfs/dbraw/zinc/84/35/58/944843558.db2.gz LFWQFFQXUDZPQO-BKNIFWKGSA-N 0 3 368.445 0.879 20 50 FCGDHN CC[N@@H+]1CC[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736565528 944844648 /nfs/dbraw/zinc/84/46/48/944844648.db2.gz LFWQFFQXUDZPQO-QVYJARAXSA-N 0 3 368.445 0.879 20 50 FCGDHN CC[N@H+]1CC[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736565528 944844660 /nfs/dbraw/zinc/84/46/60/944844660.db2.gz LFWQFFQXUDZPQO-QVYJARAXSA-N 0 3 368.445 0.879 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CCC([NH+](C)C)CC2)cc(-c2nnn[n-]2)n1C ZINC000737212881 944997214 /nfs/dbraw/zinc/99/72/14/944997214.db2.gz NHJGVNWJDSMJBI-ZROIWOOFSA-N 0 3 368.445 0.973 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CCC([NH+](C)C)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212881 944997215 /nfs/dbraw/zinc/99/72/15/944997215.db2.gz NHJGVNWJDSMJBI-ZROIWOOFSA-N 0 3 368.445 0.973 20 50 FCGDHN CC[N@H+]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000821239832 945656379 /nfs/dbraw/zinc/65/63/79/945656379.db2.gz DGAAWQJHPSQDGM-GWCFXTLKSA-N 0 3 358.406 0.151 20 50 FCGDHN CC[N@@H+]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000821239832 945656383 /nfs/dbraw/zinc/65/63/83/945656383.db2.gz DGAAWQJHPSQDGM-GWCFXTLKSA-N 0 3 358.406 0.151 20 50 FCGDHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821581350 945723456 /nfs/dbraw/zinc/72/34/56/945723456.db2.gz JGFHEZQHFSXQDM-KBPBESRZSA-N 0 3 372.433 0.684 20 50 FCGDHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821581350 945723465 /nfs/dbraw/zinc/72/34/65/945723465.db2.gz JGFHEZQHFSXQDM-KBPBESRZSA-N 0 3 372.433 0.684 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)[C@H]2CCCN(C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211244 944985304 /nfs/dbraw/zinc/98/53/04/944985304.db2.gz BIHHTQMBXKRTRN-OWTLUSIOSA-N 0 3 368.445 0.973 20 50 FCGDHN C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C[NH+](C)C ZINC000820374880 945439859 /nfs/dbraw/zinc/43/98/59/945439859.db2.gz SDRJCNMXIBASIL-LLVKDONJSA-N 0 3 374.449 0.787 20 50 FCGDHN C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C[NH+](C)C ZINC000820374880 945439866 /nfs/dbraw/zinc/43/98/66/945439866.db2.gz SDRJCNMXIBASIL-LLVKDONJSA-N 0 3 374.449 0.787 20 50 FCGDHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821239817 945656897 /nfs/dbraw/zinc/65/68/97/945656897.db2.gz CZOFHMRBRMSGFL-ZWNOBZJWSA-N 0 3 358.406 0.151 20 50 FCGDHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821239817 945656903 /nfs/dbraw/zinc/65/69/03/945656903.db2.gz CZOFHMRBRMSGFL-ZWNOBZJWSA-N 0 3 358.406 0.151 20 50 FCGDHN CC(C)[NH+]1CCC(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820128597 945358643 /nfs/dbraw/zinc/35/86/43/945358643.db2.gz RCYWZTJBPNMTQR-UHFFFAOYSA-N 0 3 357.418 0.748 20 50 FCGDHN CC(C)[NH+]1CCC(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820128597 945358654 /nfs/dbraw/zinc/35/86/54/945358654.db2.gz RCYWZTJBPNMTQR-UHFFFAOYSA-N 0 3 357.418 0.748 20 50 FCGDHN CC[C@H](C)[N@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736322834 944803031 /nfs/dbraw/zinc/80/30/31/944803031.db2.gz PRUJMZFYKZZPNI-NSHDSACASA-N 0 3 360.422 0.541 20 50 FCGDHN CC[C@H](C)[N@@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736322834 944803036 /nfs/dbraw/zinc/80/30/36/944803036.db2.gz PRUJMZFYKZZPNI-NSHDSACASA-N 0 3 360.422 0.541 20 50 FCGDHN CC[C@H](C)[N@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736322834 944803039 /nfs/dbraw/zinc/80/30/39/944803039.db2.gz PRUJMZFYKZZPNI-NSHDSACASA-N 0 3 360.422 0.541 20 50 FCGDHN CC[C@H](C)[N@@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736322834 944803045 /nfs/dbraw/zinc/80/30/45/944803045.db2.gz PRUJMZFYKZZPNI-NSHDSACASA-N 0 3 360.422 0.541 20 50 FCGDHN CCN1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1 ZINC000736571033 944847324 /nfs/dbraw/zinc/84/73/24/944847324.db2.gz RJPSQIYXLLHMOE-GDNBJRDFSA-N 0 3 368.445 0.975 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)[C@@H]2CCCN(C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211248 944984953 /nfs/dbraw/zinc/98/49/53/944984953.db2.gz BIHHTQMBXKRTRN-UJMHRVFCSA-N 0 3 368.445 0.973 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737211392 944985002 /nfs/dbraw/zinc/98/50/02/944985002.db2.gz BYPQHZVXOLMJRI-NHXNDTTKSA-N 0 3 368.445 0.973 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NCC2CC[NH+](C)CC2)cc(-c2nn[n-]n2)n1C ZINC000737213714 945005173 /nfs/dbraw/zinc/00/51/73/945005173.db2.gz WBZJBBYSIZTPQK-NVNXTCNLSA-N 0 3 368.445 0.879 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213744 945007020 /nfs/dbraw/zinc/00/70/20/945007020.db2.gz WRYOQOWDMLIDHZ-BKNIFWKGSA-N 0 3 368.445 0.831 20 50 FCGDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820752275 945548167 /nfs/dbraw/zinc/54/81/67/945548167.db2.gz LMSMIIJFRADKJW-RISCZKNCSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820752275 945548173 /nfs/dbraw/zinc/54/81/73/945548173.db2.gz LMSMIIJFRADKJW-RISCZKNCSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820752275 945548175 /nfs/dbraw/zinc/54/81/75/945548175.db2.gz LMSMIIJFRADKJW-RISCZKNCSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820752275 945548181 /nfs/dbraw/zinc/54/81/81/945548181.db2.gz LMSMIIJFRADKJW-RISCZKNCSA-N 0 3 372.433 0.539 20 50 FCGDHN CC[NH+](CC)[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821180479 945649710 /nfs/dbraw/zinc/64/97/10/945649710.db2.gz DAVLYTOZUFSOMR-AWEZNQCLSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[NH+](CC)[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821180479 945649717 /nfs/dbraw/zinc/64/97/17/945649717.db2.gz DAVLYTOZUFSOMR-AWEZNQCLSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(C)C ZINC000825394388 607921428 /nfs/dbraw/zinc/92/14/28/607921428.db2.gz BMCVQYRFNKXQHV-LBPRGKRZSA-N 0 3 359.434 0.994 20 50 FCGDHN CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(C)C ZINC000825394388 607921429 /nfs/dbraw/zinc/92/14/29/607921429.db2.gz BMCVQYRFNKXQHV-LBPRGKRZSA-N 0 3 359.434 0.994 20 50 FCGDHN 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CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820752277 945547425 /nfs/dbraw/zinc/54/74/25/945547425.db2.gz LMSMIIJFRADKJW-SMDDNHRTSA-N 0 3 372.433 0.539 20 50 FCGDHN CC[C@@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820901997 945586857 /nfs/dbraw/zinc/58/68/57/945586857.db2.gz HFGFBXGUUUUFAR-AWEZNQCLSA-N 0 3 372.433 0.685 20 50 FCGDHN CC[C@@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820901997 945586862 /nfs/dbraw/zinc/58/68/62/945586862.db2.gz HFGFBXGUUUUFAR-AWEZNQCLSA-N 0 3 372.433 0.685 20 50 FCGDHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735873893 944709149 /nfs/dbraw/zinc/70/91/49/944709149.db2.gz BHRGOFJTEHUURT-LBPRGKRZSA-N 0 3 372.433 0.541 20 50 FCGDHN CC(C)[N@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735873893 944709158 /nfs/dbraw/zinc/70/91/58/944709158.db2.gz BHRGOFJTEHUURT-LBPRGKRZSA-N 0 3 372.433 0.541 20 50 FCGDHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 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FCGDHN Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213668 945006404 /nfs/dbraw/zinc/00/64/04/945006404.db2.gz VOKRAJORCXDRNX-DSTGGHDTSA-N 0 3 368.445 0.829 20 50 FCGDHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821254956 945657969 /nfs/dbraw/zinc/65/79/69/945657969.db2.gz QRFCDDXHXOHKKO-CQSZACIVSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821254956 945657976 /nfs/dbraw/zinc/65/79/76/945657976.db2.gz QRFCDDXHXOHKKO-CQSZACIVSA-N 0 3 372.433 0.637 20 50 FCGDHN CN(CCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc[nH+]cc1 ZINC000825914466 947368511 /nfs/dbraw/zinc/36/85/11/947368511.db2.gz GOCNHPGKROXBAV-UHFFFAOYSA-N 0 3 366.385 0.549 20 50 FCGDHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2cc[nH+]cc2)cc1 ZINC000826395256 609173035 /nfs/dbraw/zinc/17/30/35/609173035.db2.gz UETVTNURUPXTMH-UHFFFAOYSA-N 0 3 362.357 0.208 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000738136240 945230793 /nfs/dbraw/zinc/23/07/93/945230793.db2.gz IGUSXGNWPINWTJ-KBPBESRZSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000738136240 945230801 /nfs/dbraw/zinc/23/08/01/945230801.db2.gz IGUSXGNWPINWTJ-KBPBESRZSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000738136240 945230808 /nfs/dbraw/zinc/23/08/08/945230808.db2.gz IGUSXGNWPINWTJ-KBPBESRZSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000738136240 945230815 /nfs/dbraw/zinc/23/08/15/945230815.db2.gz IGUSXGNWPINWTJ-KBPBESRZSA-N 0 3 370.417 0.438 20 50 FCGDHN C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C[NH+]1CCCC1 ZINC000736017585 944732114 /nfs/dbraw/zinc/73/21/14/944732114.db2.gz QRCVSNCDXOZBAQ-GFCCVEGCSA-N 0 3 372.433 0.543 20 50 FCGDHN C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C[NH+]1CCCC1 ZINC000736017585 944732121 /nfs/dbraw/zinc/73/21/21/944732121.db2.gz QRCVSNCDXOZBAQ-GFCCVEGCSA-N 0 3 372.433 0.543 20 50 FCGDHN C[N@H+](CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000736801025 944893820 /nfs/dbraw/zinc/89/38/20/944893820.db2.gz QCDUAZLQFLKGME-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN C[N@@H+](CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000736801025 944893823 /nfs/dbraw/zinc/89/38/23/944893823.db2.gz QCDUAZLQFLKGME-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN C[N@H+](CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000736801025 944893827 /nfs/dbraw/zinc/89/38/27/944893827.db2.gz QCDUAZLQFLKGME-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN C[N@@H+](CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000736801025 944893835 /nfs/dbraw/zinc/89/38/35/944893835.db2.gz QCDUAZLQFLKGME-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN C[N@@H+]1CCC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736858596 944900906 /nfs/dbraw/zinc/90/09/06/944900906.db2.gz UGBBLLVNZDJHGN-LLVKDONJSA-N 0 3 358.406 0.153 20 50 FCGDHN C[N@H+]1CCC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736858596 944900909 /nfs/dbraw/zinc/90/09/09/944900909.db2.gz UGBBLLVNZDJHGN-LLVKDONJSA-N 0 3 358.406 0.153 20 50 FCGDHN C[N@@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736854199 944901283 /nfs/dbraw/zinc/90/12/83/944901283.db2.gz BJDYXAMFDNRKNT-NSHDSACASA-N 0 3 358.406 0.153 20 50 FCGDHN C[N@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736854199 944901289 /nfs/dbraw/zinc/90/12/89/944901289.db2.gz BJDYXAMFDNRKNT-NSHDSACASA-N 0 3 358.406 0.153 20 50 FCGDHN C[N@@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736854199 944901297 /nfs/dbraw/zinc/90/12/97/944901297.db2.gz BJDYXAMFDNRKNT-NSHDSACASA-N 0 3 358.406 0.153 20 50 FCGDHN C[N@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736854199 944901304 /nfs/dbraw/zinc/90/13/04/944901304.db2.gz BJDYXAMFDNRKNT-NSHDSACASA-N 0 3 358.406 0.153 20 50 FCGDHN C[NH+](C)CCn1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825870397 608813760 /nfs/dbraw/zinc/81/37/60/608813760.db2.gz KOZICCWSHYGQPR-UHFFFAOYSA-N 0 3 356.394 0.773 20 50 FCGDHN CC(C)C[C@H](C[NH+](C)C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735760320 944699861 /nfs/dbraw/zinc/69/98/61/944699861.db2.gz ARVGVWBEJGWLQO-CQSZACIVSA-N 0 3 374.449 0.787 20 50 FCGDHN CCCC[N@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736452167 944825780 /nfs/dbraw/zinc/82/57/80/944825780.db2.gz ASSUBTXNLGFSBI-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCCC[N@@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736452167 944825789 /nfs/dbraw/zinc/82/57/89/944825789.db2.gz ASSUBTXNLGFSBI-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCCC[N@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736452167 944825798 /nfs/dbraw/zinc/82/57/98/944825798.db2.gz ASSUBTXNLGFSBI-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCCC[N@@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736452167 944825805 /nfs/dbraw/zinc/82/58/05/944825805.db2.gz ASSUBTXNLGFSBI-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CC[N@@H+]1CCCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736572259 944847192 /nfs/dbraw/zinc/84/71/92/944847192.db2.gz WQOHKCGJADFPLX-AWEZNQCLSA-N 0 3 372.433 0.685 20 50 FCGDHN CC[N@H+]1CCCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736572259 944847198 /nfs/dbraw/zinc/84/71/98/944847198.db2.gz WQOHKCGJADFPLX-AWEZNQCLSA-N 0 3 372.433 0.685 20 50 FCGDHN C[NH+]1CCC(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736849308 944900846 /nfs/dbraw/zinc/90/08/46/944900846.db2.gz RIZGOGHHYUCUBN-UHFFFAOYSA-N 0 3 372.433 0.543 20 50 FCGDHN C[NH+]1CCC(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736849308 944900852 /nfs/dbraw/zinc/90/08/52/944900852.db2.gz RIZGOGHHYUCUBN-UHFFFAOYSA-N 0 3 372.433 0.543 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)[C@H]2CCCN(C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211238 944985091 /nfs/dbraw/zinc/98/50/91/944985091.db2.gz BIHHTQMBXKRTRN-NHXNDTTKSA-N 0 3 368.445 0.973 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N[C@@H](C)CC[NH+](C)C)cc(-c2nn[n-]n2)n1C ZINC000737212533 944993516 /nfs/dbraw/zinc/99/35/16/944993516.db2.gz KRCCJIONIRZZOU-KYJZABPNSA-N 0 3 356.434 0.877 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213670 945006830 /nfs/dbraw/zinc/00/68/30/945006830.db2.gz VOKRAJORCXDRNX-JGEIXWAWSA-N 0 3 368.445 0.829 20 50 FCGDHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821581483 945723485 /nfs/dbraw/zinc/72/34/85/945723485.db2.gz MLPNBJJKUSDIMW-KGLIPLIRSA-N 0 3 372.433 0.684 20 50 FCGDHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821581483 945723495 /nfs/dbraw/zinc/72/34/95/945723495.db2.gz MLPNBJJKUSDIMW-KGLIPLIRSA-N 0 3 372.433 0.684 20 50 FCGDHN CC(C)C([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000824198991 946616320 /nfs/dbraw/zinc/61/63/20/946616320.db2.gz FTWZYUOGDFBWBZ-UHFFFAOYSA-N 0 3 359.434 0.898 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000738136386 945233057 /nfs/dbraw/zinc/23/30/57/945233057.db2.gz LAWGKGHMWSSPHL-KGLIPLIRSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000738136386 945233063 /nfs/dbraw/zinc/23/30/63/945233063.db2.gz LAWGKGHMWSSPHL-KGLIPLIRSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000738136386 945233071 /nfs/dbraw/zinc/23/30/71/945233071.db2.gz LAWGKGHMWSSPHL-KGLIPLIRSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000738136386 945233077 /nfs/dbraw/zinc/23/30/77/945233077.db2.gz LAWGKGHMWSSPHL-KGLIPLIRSA-N 0 3 370.417 0.438 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213362 945001498 /nfs/dbraw/zinc/00/14/98/945001498.db2.gz RRXNQWAPSPQZJH-JVXNRYDGSA-N 0 3 354.418 0.489 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213362 945001508 /nfs/dbraw/zinc/00/15/08/945001508.db2.gz RRXNQWAPSPQZJH-JVXNRYDGSA-N 0 3 354.418 0.489 20 50 FCGDHN C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C[NH+](C)C ZINC000820374209 945437030 /nfs/dbraw/zinc/43/70/30/945437030.db2.gz NDANMJJMUQTWOB-LLVKDONJSA-N 0 3 374.449 0.787 20 50 FCGDHN C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C[NH+](C)C ZINC000820374209 945437033 /nfs/dbraw/zinc/43/70/33/945437033.db2.gz NDANMJJMUQTWOB-LLVKDONJSA-N 0 3 374.449 0.787 20 50 FCGDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820752952 945551697 /nfs/dbraw/zinc/55/16/97/945551697.db2.gz UTJCZOAAEOBEMS-RISCZKNCSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820752952 945551705 /nfs/dbraw/zinc/55/17/05/945551705.db2.gz UTJCZOAAEOBEMS-RISCZKNCSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820752952 945551710 /nfs/dbraw/zinc/55/17/10/945551710.db2.gz UTJCZOAAEOBEMS-RISCZKNCSA-N 0 3 372.433 0.539 20 50 FCGDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820752952 945551715 /nfs/dbraw/zinc/55/17/15/945551715.db2.gz UTJCZOAAEOBEMS-RISCZKNCSA-N 0 3 372.433 0.539 20 50 FCGDHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821239837 945658500 /nfs/dbraw/zinc/65/85/00/945658500.db2.gz DGAAWQJHPSQDGM-ZWNOBZJWSA-N 0 3 358.406 0.151 20 50 FCGDHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821239837 945658506 /nfs/dbraw/zinc/65/85/06/945658506.db2.gz DGAAWQJHPSQDGM-ZWNOBZJWSA-N 0 3 358.406 0.151 20 50 FCGDHN CC[N@@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821266769 945661035 /nfs/dbraw/zinc/66/10/35/945661035.db2.gz HAXSQZNXHHRGRO-ZDUSSCGKSA-N 0 3 358.406 0.295 20 50 FCGDHN CC[N@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821266769 945661042 /nfs/dbraw/zinc/66/10/42/945661042.db2.gz HAXSQZNXHHRGRO-ZDUSSCGKSA-N 0 3 358.406 0.295 20 50 FCGDHN CC(C)[NH+]1CCC(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820126627 945357532 /nfs/dbraw/zinc/35/75/32/945357532.db2.gz BRAAUSZSWUGCJJ-UHFFFAOYSA-N 0 3 357.418 0.748 20 50 FCGDHN CC(C)[NH+]1CCC(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820126627 945357543 /nfs/dbraw/zinc/35/75/43/945357543.db2.gz BRAAUSZSWUGCJJ-UHFFFAOYSA-N 0 3 357.418 0.748 20 50 FCGDHN CC[C@@H](C)[N@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736322833 944801473 /nfs/dbraw/zinc/80/14/73/944801473.db2.gz PRUJMZFYKZZPNI-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736322833 944801481 /nfs/dbraw/zinc/80/14/81/944801481.db2.gz PRUJMZFYKZZPNI-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[C@@H](C)[N@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736322833 944801485 /nfs/dbraw/zinc/80/14/85/944801485.db2.gz PRUJMZFYKZZPNI-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736322833 944801489 /nfs/dbraw/zinc/80/14/89/944801489.db2.gz PRUJMZFYKZZPNI-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CCC[N@@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736478671 944831190 /nfs/dbraw/zinc/83/11/90/944831190.db2.gz CJGHTLLMCDKUIZ-LBPRGKRZSA-N 0 3 372.433 0.543 20 50 FCGDHN CCC[N@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736478671 944831198 /nfs/dbraw/zinc/83/11/98/944831198.db2.gz CJGHTLLMCDKUIZ-LBPRGKRZSA-N 0 3 372.433 0.543 20 50 FCGDHN CCC[N@@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736478671 944831207 /nfs/dbraw/zinc/83/12/07/944831207.db2.gz CJGHTLLMCDKUIZ-LBPRGKRZSA-N 0 3 372.433 0.543 20 50 FCGDHN CCC[N@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736478671 944831217 /nfs/dbraw/zinc/83/12/17/944831217.db2.gz CJGHTLLMCDKUIZ-LBPRGKRZSA-N 0 3 372.433 0.543 20 50 FCGDHN C[NH+]1CCC(CCNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736849317 944900639 /nfs/dbraw/zinc/90/06/39/944900639.db2.gz ROZYZJTXSKKVGW-UHFFFAOYSA-N 0 3 372.433 0.543 20 50 FCGDHN C[NH+]1CCC(CCNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736849317 944900648 /nfs/dbraw/zinc/90/06/48/944900648.db2.gz ROZYZJTXSKKVGW-UHFFFAOYSA-N 0 3 372.433 0.543 20 50 FCGDHN COCCN(C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000736991131 944928894 /nfs/dbraw/zinc/92/88/94/944928894.db2.gz YOAYGRDFGKHGSL-NTEUORMPSA-N 0 3 372.433 0.115 20 50 FCGDHN CCC[N@H+](CC)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821095167 945634144 /nfs/dbraw/zinc/63/41/44/945634144.db2.gz ZTRFMKYWYBCZJU-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCC[N@@H+](CC)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821095167 945634146 /nfs/dbraw/zinc/63/41/46/945634146.db2.gz ZTRFMKYWYBCZJU-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCC[N@H+](CC)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821095167 945634148 /nfs/dbraw/zinc/63/41/48/945634148.db2.gz ZTRFMKYWYBCZJU-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CCC[N@@H+](CC)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821095167 945634150 /nfs/dbraw/zinc/63/41/50/945634150.db2.gz ZTRFMKYWYBCZJU-UHFFFAOYSA-N 0 3 360.422 0.543 20 50 FCGDHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821239834 945657076 /nfs/dbraw/zinc/65/70/76/945657076.db2.gz DGAAWQJHPSQDGM-GXFFZTMASA-N 0 3 358.406 0.151 20 50 FCGDHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821239834 945657080 /nfs/dbraw/zinc/65/70/80/945657080.db2.gz DGAAWQJHPSQDGM-GXFFZTMASA-N 0 3 358.406 0.151 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NCCOCC[NH+](C)C)cc(-c2nn[n-]n2)n1C ZINC000826235972 609296945 /nfs/dbraw/zinc/29/69/45/609296945.db2.gz VVHYHLJQDCREGY-ZROIWOOFSA-N 0 3 372.433 0.115 20 50 FCGDHN CC(C)C[C@@H](C[NH+](C)C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735760318 944699385 /nfs/dbraw/zinc/69/93/85/944699385.db2.gz ARVGVWBEJGWLQO-AWEZNQCLSA-N 0 3 374.449 0.787 20 50 FCGDHN CC(C)[N@@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735873892 944709431 /nfs/dbraw/zinc/70/94/31/944709431.db2.gz BHRGOFJTEHUURT-GFCCVEGCSA-N 0 3 372.433 0.541 20 50 FCGDHN CC(C)[N@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735873892 944709438 /nfs/dbraw/zinc/70/94/38/944709438.db2.gz BHRGOFJTEHUURT-GFCCVEGCSA-N 0 3 372.433 0.541 20 50 FCGDHN CC(C)[N@@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735873892 944709445 /nfs/dbraw/zinc/70/94/45/944709445.db2.gz BHRGOFJTEHUURT-GFCCVEGCSA-N 0 3 372.433 0.541 20 50 FCGDHN CC(C)[N@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735873892 944709451 /nfs/dbraw/zinc/70/94/51/944709451.db2.gz BHRGOFJTEHUURT-GFCCVEGCSA-N 0 3 372.433 0.541 20 50 FCGDHN C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[NH+]1CCCCC1 ZINC000736017399 944733062 /nfs/dbraw/zinc/73/30/62/944733062.db2.gz MUKVRCLEYVNSSX-LBPRGKRZSA-N 0 3 372.433 0.685 20 50 FCGDHN C[NH+](C)C1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000736757294 944884592 /nfs/dbraw/zinc/88/45/92/944884592.db2.gz QHLISCZWVYWEQY-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN C[NH+](C)C1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000736757294 944884599 /nfs/dbraw/zinc/88/45/99/944884599.db2.gz QHLISCZWVYWEQY-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000737005506 944931596 /nfs/dbraw/zinc/93/15/96/944931596.db2.gz BJKAVDWBGJHCDZ-CQSZACIVSA-N 0 3 360.422 0.604 20 50 FCGDHN COCC[N@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000737005506 944931599 /nfs/dbraw/zinc/93/15/99/944931599.db2.gz BJKAVDWBGJHCDZ-CQSZACIVSA-N 0 3 360.422 0.604 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737211390 944984178 /nfs/dbraw/zinc/98/41/78/944984178.db2.gz BYPQHZVXOLMJRI-CKNOQMABSA-N 0 3 368.445 0.973 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CC[C@H]([NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737211756 944988930 /nfs/dbraw/zinc/98/89/30/944988930.db2.gz FNHJJXBJDWEBRP-GUNGLEHYSA-N 0 3 354.418 0.583 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CC[C@H]([NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737211759 944989521 /nfs/dbraw/zinc/98/95/21/944989521.db2.gz FNHJJXBJDWEBRP-LVOZBFFPSA-N 0 3 354.418 0.583 20 50 FCGDHN C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC000820658638 945513541 /nfs/dbraw/zinc/51/35/41/945513541.db2.gz UKVOLWQGTVPQSJ-GXFFZTMASA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC000820658638 945513553 /nfs/dbraw/zinc/51/35/53/945513553.db2.gz UKVOLWQGTVPQSJ-GXFFZTMASA-N 0 3 358.406 0.293 20 50 FCGDHN CC[C@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820901998 945587150 /nfs/dbraw/zinc/58/71/50/945587150.db2.gz HFGFBXGUUUUFAR-CQSZACIVSA-N 0 3 372.433 0.685 20 50 FCGDHN CC[C@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820901998 945587158 /nfs/dbraw/zinc/58/71/58/945587158.db2.gz HFGFBXGUUUUFAR-CQSZACIVSA-N 0 3 372.433 0.685 20 50 FCGDHN CC[NH+](CC)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821182176 945649114 /nfs/dbraw/zinc/64/91/14/945649114.db2.gz SEBQEAWFFMLJIP-CQSZACIVSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[NH+](CC)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821182176 945649120 /nfs/dbraw/zinc/64/91/20/945649120.db2.gz SEBQEAWFFMLJIP-CQSZACIVSA-N 0 3 372.433 0.637 20 50 FCGDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821581484 945723546 /nfs/dbraw/zinc/72/35/46/945723546.db2.gz MLPNBJJKUSDIMW-UONOGXRCSA-N 0 3 372.433 0.684 20 50 FCGDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821581484 945723554 /nfs/dbraw/zinc/72/35/54/945723554.db2.gz MLPNBJJKUSDIMW-UONOGXRCSA-N 0 3 372.433 0.684 20 50 FCGDHN O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738050826 945176441 /nfs/dbraw/zinc/17/64/41/945176441.db2.gz WNZUMPRIXSUKSU-NSHDSACASA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738050826 945176448 /nfs/dbraw/zinc/17/64/48/945176448.db2.gz WNZUMPRIXSUKSU-NSHDSACASA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738050826 945176462 /nfs/dbraw/zinc/17/64/62/945176462.db2.gz WNZUMPRIXSUKSU-NSHDSACASA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738050826 945176468 /nfs/dbraw/zinc/17/64/68/945176468.db2.gz WNZUMPRIXSUKSU-NSHDSACASA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NCCC[NH+]1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738065877 945180877 /nfs/dbraw/zinc/18/08/77/945180877.db2.gz LROSULJWCVFEDX-UHFFFAOYSA-N 0 3 358.406 0.297 20 50 FCGDHN O=C(NCCC[NH+]1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738065877 945180882 /nfs/dbraw/zinc/18/08/82/945180882.db2.gz LROSULJWCVFEDX-UHFFFAOYSA-N 0 3 358.406 0.297 20 50 FCGDHN CC[N@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736536706 944840647 /nfs/dbraw/zinc/84/06/47/944840647.db2.gz NCOODWLXSYRENR-UHFFFAOYSA-N 0 3 358.406 0.295 20 50 FCGDHN CC[N@@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736536706 944840652 /nfs/dbraw/zinc/84/06/52/944840652.db2.gz NCOODWLXSYRENR-UHFFFAOYSA-N 0 3 358.406 0.295 20 50 FCGDHN C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C[NH+](C)C ZINC000820374881 945439925 /nfs/dbraw/zinc/43/99/25/945439925.db2.gz SDRJCNMXIBASIL-NSHDSACASA-N 0 3 374.449 0.787 20 50 FCGDHN C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C[NH+](C)C ZINC000820374881 945439935 /nfs/dbraw/zinc/43/99/35/945439935.db2.gz SDRJCNMXIBASIL-NSHDSACASA-N 0 3 374.449 0.787 20 50 FCGDHN CC(C)[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735873960 944709679 /nfs/dbraw/zinc/70/96/79/944709679.db2.gz BYCOBQWYVJFCJE-UHFFFAOYSA-N 0 3 372.433 0.684 20 50 FCGDHN CC(C)[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735873960 944709686 /nfs/dbraw/zinc/70/96/86/944709686.db2.gz BYCOBQWYVJFCJE-UHFFFAOYSA-N 0 3 372.433 0.684 20 50 FCGDHN C[C@@H]1CCC[N@H+](CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736267490 944781606 /nfs/dbraw/zinc/78/16/06/944781606.db2.gz SLKAPQSWYAMAAD-GFCCVEGCSA-N 0 3 372.433 0.543 20 50 FCGDHN C[C@@H]1CCC[N@@H+](CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736267490 944781609 /nfs/dbraw/zinc/78/16/09/944781609.db2.gz SLKAPQSWYAMAAD-GFCCVEGCSA-N 0 3 372.433 0.543 20 50 FCGDHN CN(CC1CC[NH+](C)CC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736848761 944898066 /nfs/dbraw/zinc/89/80/66/944898066.db2.gz MWXGNWMCYYWTDW-UHFFFAOYSA-N 0 3 372.433 0.495 20 50 FCGDHN CN(CC1CC[NH+](C)CC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736848761 944898079 /nfs/dbraw/zinc/89/80/79/944898079.db2.gz MWXGNWMCYYWTDW-UHFFFAOYSA-N 0 3 372.433 0.495 20 50 FCGDHN C[N@@H+]1CCC[C@H](CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736854198 944899940 /nfs/dbraw/zinc/89/99/40/944899940.db2.gz BJDYXAMFDNRKNT-LLVKDONJSA-N 0 3 358.406 0.153 20 50 FCGDHN C[N@H+]1CCC[C@H](CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736854198 944899948 /nfs/dbraw/zinc/89/99/48/944899948.db2.gz BJDYXAMFDNRKNT-LLVKDONJSA-N 0 3 358.406 0.153 20 50 FCGDHN C[N@@H+]1CCC[C@H](CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736854198 944899955 /nfs/dbraw/zinc/89/99/55/944899955.db2.gz BJDYXAMFDNRKNT-LLVKDONJSA-N 0 3 358.406 0.153 20 50 FCGDHN C[N@H+]1CCC[C@H](CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736854198 944899961 /nfs/dbraw/zinc/89/99/61/944899961.db2.gz BJDYXAMFDNRKNT-LLVKDONJSA-N 0 3 358.406 0.153 20 50 FCGDHN CC[NH+](CC)[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821182174 945649608 /nfs/dbraw/zinc/64/96/08/945649608.db2.gz SEBQEAWFFMLJIP-AWEZNQCLSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[NH+](CC)[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821182174 945649612 /nfs/dbraw/zinc/64/96/12/945649612.db2.gz SEBQEAWFFMLJIP-AWEZNQCLSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821254955 945658243 /nfs/dbraw/zinc/65/82/43/945658243.db2.gz QRFCDDXHXOHKKO-AWEZNQCLSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821254955 945658250 /nfs/dbraw/zinc/65/82/50/945658250.db2.gz QRFCDDXHXOHKKO-AWEZNQCLSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821239836 945658411 /nfs/dbraw/zinc/65/84/11/945658411.db2.gz DGAAWQJHPSQDGM-MFKMUULPSA-N 0 3 358.406 0.151 20 50 FCGDHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821239836 945658421 /nfs/dbraw/zinc/65/84/21/945658421.db2.gz DGAAWQJHPSQDGM-MFKMUULPSA-N 0 3 358.406 0.151 20 50 FCGDHN C[NH+](C)C1CCN(CCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825856397 607994888 /nfs/dbraw/zinc/99/48/88/607994888.db2.gz VASCFFLTKYVAIX-UHFFFAOYSA-N 0 3 373.465 0.519 20 50 FCGDHN C[NH+](C)C1CCN(CCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825856397 607994889 /nfs/dbraw/zinc/99/48/89/607994889.db2.gz VASCFFLTKYVAIX-UHFFFAOYSA-N 0 3 373.465 0.519 20 50 FCGDHN C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000824564123 608536435 /nfs/dbraw/zinc/53/64/35/608536435.db2.gz RYCRVNUWSAFMPH-LLVKDONJSA-N 0 3 373.417 0.032 20 50 FCGDHN O=C(NCCC[NH+]1CCCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738066656 945180310 /nfs/dbraw/zinc/18/03/10/945180310.db2.gz SVOKDMMCFTZVJX-UHFFFAOYSA-N 0 3 372.433 0.687 20 50 FCGDHN O=C(NCCC[NH+]1CCCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738066656 945180316 /nfs/dbraw/zinc/18/03/16/945180316.db2.gz SVOKDMMCFTZVJX-UHFFFAOYSA-N 0 3 372.433 0.687 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000738136245 945230591 /nfs/dbraw/zinc/23/05/91/945230591.db2.gz IGUSXGNWPINWTJ-UONOGXRCSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000738136245 945230611 /nfs/dbraw/zinc/23/06/11/945230611.db2.gz IGUSXGNWPINWTJ-UONOGXRCSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000738136245 945230628 /nfs/dbraw/zinc/23/06/28/945230628.db2.gz IGUSXGNWPINWTJ-UONOGXRCSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000738136245 945230643 /nfs/dbraw/zinc/23/06/43/945230643.db2.gz IGUSXGNWPINWTJ-UONOGXRCSA-N 0 3 370.417 0.438 20 50 FCGDHN CC(C)[NH+](CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000735860632 944706600 /nfs/dbraw/zinc/70/66/00/944706600.db2.gz KACLDQXICWJBKW-UHFFFAOYSA-N 0 3 374.449 0.930 20 50 FCGDHN CC(C)[NH+](CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000735860632 944706615 /nfs/dbraw/zinc/70/66/15/944706615.db2.gz KACLDQXICWJBKW-UHFFFAOYSA-N 0 3 374.449 0.930 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213671 945005740 /nfs/dbraw/zinc/00/57/40/945005740.db2.gz VOKRAJORCXDRNX-VIIWAURFSA-N 0 3 368.445 0.829 20 50 FCGDHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821581353 945723263 /nfs/dbraw/zinc/72/32/63/945723263.db2.gz JGFHEZQHFSXQDM-ZIAGYGMSSA-N 0 3 372.433 0.684 20 50 FCGDHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821581353 945723273 /nfs/dbraw/zinc/72/32/73/945723273.db2.gz JGFHEZQHFSXQDM-ZIAGYGMSSA-N 0 3 372.433 0.684 20 50 FCGDHN C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000824562375 608536393 /nfs/dbraw/zinc/53/63/93/608536393.db2.gz GNAGBNBSYYDKAY-NSHDSACASA-N 0 3 373.417 0.032 20 50 FCGDHN CC[NH+](CC)C[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736534128 944841885 /nfs/dbraw/zinc/84/18/85/944841885.db2.gz MNCQMAYEMATAOL-NSHDSACASA-N 0 3 360.422 0.541 20 50 FCGDHN CC[NH+](CC)C[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736534128 944841892 /nfs/dbraw/zinc/84/18/92/944841892.db2.gz MNCQMAYEMATAOL-NSHDSACASA-N 0 3 360.422 0.541 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N[C@@H]2CCN(C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212865 944996569 /nfs/dbraw/zinc/99/65/69/944996569.db2.gz NDVWISQNKQRBGQ-WTWVRAIASA-N 0 3 366.429 0.774 20 50 FCGDHN O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000738136057 945229301 /nfs/dbraw/zinc/22/93/01/945229301.db2.gz DUPABEWPFWEAMI-CQSZACIVSA-N 0 3 370.417 0.295 20 50 FCGDHN O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000738136057 945229308 /nfs/dbraw/zinc/22/93/08/945229308.db2.gz DUPABEWPFWEAMI-CQSZACIVSA-N 0 3 370.417 0.295 20 50 FCGDHN C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@H+](C)C1CC1 ZINC000736017923 944734385 /nfs/dbraw/zinc/73/43/85/944734385.db2.gz RUDRMVVZHXXYCI-SNVBAGLBSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@@H+](C)C1CC1 ZINC000736017923 944734396 /nfs/dbraw/zinc/73/43/96/944734396.db2.gz RUDRMVVZHXXYCI-SNVBAGLBSA-N 0 3 358.406 0.293 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737211396 944985025 /nfs/dbraw/zinc/98/50/25/944985025.db2.gz BYPQHZVXOLMJRI-OWTLUSIOSA-N 0 3 368.445 0.973 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213366 945002017 /nfs/dbraw/zinc/00/20/17/945002017.db2.gz RRXNQWAPSPQZJH-VWBIBIBXSA-N 0 3 354.418 0.489 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213366 945002027 /nfs/dbraw/zinc/00/20/27/945002027.db2.gz RRXNQWAPSPQZJH-VWBIBIBXSA-N 0 3 354.418 0.489 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213746 945005646 /nfs/dbraw/zinc/00/56/46/945005646.db2.gz WRYOQOWDMLIDHZ-QVYJARAXSA-N 0 3 368.445 0.831 20 50 FCGDHN C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC000820658637 945515184 /nfs/dbraw/zinc/51/51/84/945515184.db2.gz UKVOLWQGTVPQSJ-GWCFXTLKSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC000820658637 945515191 /nfs/dbraw/zinc/51/51/91/945515191.db2.gz UKVOLWQGTVPQSJ-GWCFXTLKSA-N 0 3 358.406 0.293 20 50 FCGDHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821581485 945723321 /nfs/dbraw/zinc/72/33/21/945723321.db2.gz MLPNBJJKUSDIMW-ZIAGYGMSSA-N 0 3 372.433 0.684 20 50 FCGDHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821581485 945723328 /nfs/dbraw/zinc/72/33/28/945723328.db2.gz MLPNBJJKUSDIMW-ZIAGYGMSSA-N 0 3 372.433 0.684 20 50 FCGDHN C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000824562374 608536375 /nfs/dbraw/zinc/53/63/75/608536375.db2.gz GNAGBNBSYYDKAY-LLVKDONJSA-N 0 3 373.417 0.032 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CCC([NH+](C)C)CC2)cc(-c2nnn[n-]2)n1C ZINC000737212879 944997181 /nfs/dbraw/zinc/99/71/81/944997181.db2.gz NHJGVNWJDSMJBI-NTEUORMPSA-N 0 3 368.445 0.973 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CCC([NH+](C)C)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212879 944997182 /nfs/dbraw/zinc/99/71/82/944997182.db2.gz NHJGVNWJDSMJBI-NTEUORMPSA-N 0 3 368.445 0.973 20 50 FCGDHN C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC[N@@H+]1C ZINC000820657790 945511501 /nfs/dbraw/zinc/51/15/01/945511501.db2.gz MWQOSPQAPPUZJO-GWCFXTLKSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC[N@H+]1C ZINC000820657790 945511506 /nfs/dbraw/zinc/51/15/06/945511506.db2.gz MWQOSPQAPPUZJO-GWCFXTLKSA-N 0 3 358.406 0.293 20 50 FCGDHN CC[N@@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821266767 945660891 /nfs/dbraw/zinc/66/08/91/945660891.db2.gz HAXSQZNXHHRGRO-CYBMUJFWSA-N 0 3 358.406 0.295 20 50 FCGDHN CC[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821266767 945660896 /nfs/dbraw/zinc/66/08/96/945660896.db2.gz HAXSQZNXHHRGRO-CYBMUJFWSA-N 0 3 358.406 0.295 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000738136382 945232883 /nfs/dbraw/zinc/23/28/83/945232883.db2.gz LAWGKGHMWSSPHL-KBPBESRZSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000738136382 945232888 /nfs/dbraw/zinc/23/28/88/945232888.db2.gz LAWGKGHMWSSPHL-KBPBESRZSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000738136382 945232894 /nfs/dbraw/zinc/23/28/94/945232894.db2.gz LAWGKGHMWSSPHL-KBPBESRZSA-N 0 3 370.417 0.438 20 50 FCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000738136382 945232899 /nfs/dbraw/zinc/23/28/99/945232899.db2.gz LAWGKGHMWSSPHL-KBPBESRZSA-N 0 3 370.417 0.438 20 50 FCGDHN CCC[N@@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736478669 944830094 /nfs/dbraw/zinc/83/00/94/944830094.db2.gz CJGHTLLMCDKUIZ-GFCCVEGCSA-N 0 3 372.433 0.543 20 50 FCGDHN CCC[N@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736478669 944830100 /nfs/dbraw/zinc/83/01/00/944830100.db2.gz CJGHTLLMCDKUIZ-GFCCVEGCSA-N 0 3 372.433 0.543 20 50 FCGDHN CCC[N@@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736478669 944830106 /nfs/dbraw/zinc/83/01/06/944830106.db2.gz CJGHTLLMCDKUIZ-GFCCVEGCSA-N 0 3 372.433 0.543 20 50 FCGDHN CCC[N@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736478669 944830112 /nfs/dbraw/zinc/83/01/12/944830112.db2.gz CJGHTLLMCDKUIZ-GFCCVEGCSA-N 0 3 372.433 0.543 20 50 FCGDHN CC[NH+](CC)[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736534173 944841353 /nfs/dbraw/zinc/84/13/53/944841353.db2.gz NWAGSHWAVGAYIX-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[NH+](CC)[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736534173 944841358 /nfs/dbraw/zinc/84/13/58/944841358.db2.gz NWAGSHWAVGAYIX-LLVKDONJSA-N 0 3 360.422 0.541 20 50 FCGDHN CC[N@@H+]1CC[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736565526 944844061 /nfs/dbraw/zinc/84/40/61/944844061.db2.gz LFWQFFQXUDZPQO-FEZXJWFHSA-N 0 3 368.445 0.879 20 50 FCGDHN CC[N@H+]1CC[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736565526 944844064 /nfs/dbraw/zinc/84/40/64/944844064.db2.gz LFWQFFQXUDZPQO-FEZXJWFHSA-N 0 3 368.445 0.879 20 50 FCGDHN CC[N@@H+]1CCC[C@@H]1CNC(=S)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736570421 944846599 /nfs/dbraw/zinc/84/65/99/944846599.db2.gz MWKAPIKQUCSREF-CYBMUJFWSA-N 0 3 374.474 0.460 20 50 FCGDHN CC[N@H+]1CCC[C@@H]1CNC(=S)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736570421 944846605 /nfs/dbraw/zinc/84/66/05/944846605.db2.gz MWKAPIKQUCSREF-CYBMUJFWSA-N 0 3 374.474 0.460 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N[C@H]2CCN(C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212859 944996319 /nfs/dbraw/zinc/99/63/19/944996319.db2.gz NDVWISQNKQRBGQ-GUNGLEHYSA-N 0 3 366.429 0.774 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@H]2CC[N@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213360 945000810 /nfs/dbraw/zinc/00/08/10/945000810.db2.gz RRXNQWAPSPQZJH-CHJAJTDHSA-N 0 3 354.418 0.489 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213360 945000819 /nfs/dbraw/zinc/00/08/19/945000819.db2.gz RRXNQWAPSPQZJH-CHJAJTDHSA-N 0 3 354.418 0.489 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213747 945009629 /nfs/dbraw/zinc/00/96/29/945009629.db2.gz WRYOQOWDMLIDHZ-XKBFBRDOSA-N 0 3 368.445 0.831 20 50 FCGDHN CC[NH+](CC)[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821180480 945649286 /nfs/dbraw/zinc/64/92/86/945649286.db2.gz DAVLYTOZUFSOMR-CQSZACIVSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[NH+](CC)[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821180480 945649291 /nfs/dbraw/zinc/64/92/91/945649291.db2.gz DAVLYTOZUFSOMR-CQSZACIVSA-N 0 3 372.433 0.637 20 50 FCGDHN CC[N@@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821266475 945661920 /nfs/dbraw/zinc/66/19/20/945661920.db2.gz DQBPGOZIZUFAPT-ZDUSSCGKSA-N 0 3 358.406 0.295 20 50 FCGDHN CC[N@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821266475 945661925 /nfs/dbraw/zinc/66/19/25/945661925.db2.gz DQBPGOZIZUFAPT-ZDUSSCGKSA-N 0 3 358.406 0.295 20 50 FCGDHN C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[N@H+](C)C1CC1 ZINC000736017594 944732417 /nfs/dbraw/zinc/73/24/17/944732417.db2.gz QSXMYDGXFPIKIK-SNVBAGLBSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)C1CC1 ZINC000736017594 944732430 /nfs/dbraw/zinc/73/24/30/944732430.db2.gz QSXMYDGXFPIKIK-SNVBAGLBSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@H+](C)C1CC1 ZINC000736017922 944735238 /nfs/dbraw/zinc/73/52/38/944735238.db2.gz RUDRMVVZHXXYCI-JTQLQIEISA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@@H+](C)C1CC1 ZINC000736017922 944735240 /nfs/dbraw/zinc/73/52/40/944735240.db2.gz RUDRMVVZHXXYCI-JTQLQIEISA-N 0 3 358.406 0.293 20 50 FCGDHN C[NH+](C)CCC(=O)NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736758373 944882776 /nfs/dbraw/zinc/88/27/76/944882776.db2.gz GOJUCMDKWHCRIC-UHFFFAOYSA-N 0 3 368.854 0.789 20 50 FCGDHN C[NH+](C)CCC(=O)NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736758373 944882782 /nfs/dbraw/zinc/88/27/82/944882782.db2.gz GOJUCMDKWHCRIC-UHFFFAOYSA-N 0 3 368.854 0.789 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N[C@H](C)CC[NH+](C)C)cc(-c2nn[n-]n2)n1C ZINC000737212529 944993689 /nfs/dbraw/zinc/99/36/89/944993689.db2.gz KRCCJIONIRZZOU-GYBQTFJISA-N 0 3 356.434 0.877 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N[C@@H]2CCN(C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212863 944996604 /nfs/dbraw/zinc/99/66/04/944996604.db2.gz NDVWISQNKQRBGQ-SVSAJMPUSA-N 0 3 366.429 0.774 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NCCCC[NH+](C)C)cc(-c2nn[n-]n2)n1C ZINC000737213894 945010783 /nfs/dbraw/zinc/01/07/83/945010783.db2.gz YHTWBCQSUAOCHR-NTEUORMPSA-N 0 3 356.434 0.879 20 50 FCGDHN C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC[N@@H+]1C ZINC000820657793 945510408 /nfs/dbraw/zinc/51/04/08/945510408.db2.gz MWQOSPQAPPUZJO-MFKMUULPSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC[N@H+]1C ZINC000820657793 945510411 /nfs/dbraw/zinc/51/04/11/945510411.db2.gz MWQOSPQAPPUZJO-MFKMUULPSA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@H](C[NH+]1CCCCC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736001384 944733560 /nfs/dbraw/zinc/73/35/60/944733560.db2.gz LTNGJJKQTFOADI-GFCCVEGCSA-N 0 3 372.433 0.685 20 50 FCGDHN C[C@@H](C[NH+]1CCCCC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736001387 944733722 /nfs/dbraw/zinc/73/37/22/944733722.db2.gz LTNGJJKQTFOADI-LBPRGKRZSA-N 0 3 372.433 0.685 20 50 FCGDHN C[N@H+](CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736801476 944893918 /nfs/dbraw/zinc/89/39/18/944893918.db2.gz WJQDPHADLBQJOQ-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN C[N@@H+](CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736801476 944893926 /nfs/dbraw/zinc/89/39/26/944893926.db2.gz WJQDPHADLBQJOQ-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN C[N@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736801476 944893929 /nfs/dbraw/zinc/89/39/29/944893929.db2.gz WJQDPHADLBQJOQ-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN C[N@@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736801476 944893943 /nfs/dbraw/zinc/89/39/43/944893943.db2.gz WJQDPHADLBQJOQ-UHFFFAOYSA-N 0 3 372.433 0.685 20 50 FCGDHN C[N@@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736858598 944901370 /nfs/dbraw/zinc/90/13/70/944901370.db2.gz UGBBLLVNZDJHGN-NSHDSACASA-N 0 3 358.406 0.153 20 50 FCGDHN C[N@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736858598 944901379 /nfs/dbraw/zinc/90/13/79/944901379.db2.gz UGBBLLVNZDJHGN-NSHDSACASA-N 0 3 358.406 0.153 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)[C@@H]2CCCN(C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211233 944984868 /nfs/dbraw/zinc/98/48/68/944984868.db2.gz BIHHTQMBXKRTRN-CKNOQMABSA-N 0 3 368.445 0.973 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212373 944992380 /nfs/dbraw/zinc/99/23/80/944992380.db2.gz INTNNRUQLGEJNF-FEZXJWFHSA-N 0 3 368.445 0.879 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212373 944992386 /nfs/dbraw/zinc/99/23/86/944992386.db2.gz INTNNRUQLGEJNF-FEZXJWFHSA-N 0 3 368.445 0.879 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213780 945009250 /nfs/dbraw/zinc/00/92/50/945009250.db2.gz XBLNEKFNJQOXKE-BKNIFWKGSA-N 0 3 368.445 0.831 20 50 FCGDHN Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213780 945009261 /nfs/dbraw/zinc/00/92/61/945009261.db2.gz XBLNEKFNJQOXKE-BKNIFWKGSA-N 0 3 368.445 0.831 20 50 FCGDHN C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC[N@@H+]1C ZINC000820657791 945512368 /nfs/dbraw/zinc/51/23/68/945512368.db2.gz MWQOSPQAPPUZJO-GXFFZTMASA-N 0 3 358.406 0.293 20 50 FCGDHN C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC[N@H+]1C ZINC000820657791 945512374 /nfs/dbraw/zinc/51/23/74/945512374.db2.gz MWQOSPQAPPUZJO-GXFFZTMASA-N 0 3 358.406 0.293 20 50 FCGDHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821239816 945655291 /nfs/dbraw/zinc/65/52/91/945655291.db2.gz CZOFHMRBRMSGFL-MFKMUULPSA-N 0 3 358.406 0.151 20 50 FCGDHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821239816 945655294 /nfs/dbraw/zinc/65/52/94/945655294.db2.gz CZOFHMRBRMSGFL-MFKMUULPSA-N 0 3 358.406 0.151 20 50 FCGDHN