smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@@H+](C)CCNc1ccncc1Br ZINC000159841247 519627321 /nfs/dbraw/zinc/62/73/21/519627321.db2.gz KYBVNABPQPIJAL-UHFFFAOYSA-N 1 1 272.190 2.596 20 70 CFIDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1nc(C(C)(C)C)ns1 ZINC000159579462 519804380 /nfs/dbraw/zinc/80/43/80/519804380.db2.gz WSISXZWSYCQCRD-NSHDSACASA-N 1 1 282.457 2.612 20 70 CFIDMO CCOC[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160410979 520170910 /nfs/dbraw/zinc/17/09/10/520170910.db2.gz ACWFKFZXCKRKFC-AWEZNQCLSA-N 1 1 273.380 2.583 20 70 CFIDMO COC(=O)c1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)nc1 ZINC000160583625 522015167 /nfs/dbraw/zinc/01/51/67/522015167.db2.gz VFWSQLHFSXQFTJ-CYBMUJFWSA-N 1 1 276.380 2.736 20 70 CFIDMO CCc1ncnc(NCCC[N@H+]2CCCC[C@H]2C)c1F ZINC000217960597 522609128 /nfs/dbraw/zinc/60/91/28/522609128.db2.gz QDIYNQKAYGYAIL-GFCCVEGCSA-N 1 1 280.391 2.855 20 70 CFIDMO C[N@@H+](CCOc1ccccc1Cl)[C@@H]1CCCC[C@@H]1O ZINC000161079570 522919954 /nfs/dbraw/zinc/91/99/54/522919954.db2.gz CLRCFLGDBSAQDT-KGLIPLIRSA-N 1 1 283.799 2.954 20 70 CFIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000159693542 524341331 /nfs/dbraw/zinc/34/13/31/524341331.db2.gz SLFYVPADPRUXJO-GXSJLCMTSA-N 1 1 284.762 2.565 20 70 CFIDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c2ccccc2n1 ZINC000159397898 524705590 /nfs/dbraw/zinc/70/55/90/524705590.db2.gz FRVRENSSHHKMOF-PXAZEXFGSA-N 1 1 270.376 2.746 20 70 CFIDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C(N)=O)c2)n1 ZINC000159879056 524852196 /nfs/dbraw/zinc/85/21/96/524852196.db2.gz HXGBXHOUZWSKAK-KRWDZBQOSA-N 1 1 295.386 2.826 20 70 CFIDMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOc1ccc(F)cc1F ZINC000160078726 524908263 /nfs/dbraw/zinc/90/82/63/524908263.db2.gz VEUBQSJRVYEBQD-TYNCELHUSA-N 1 1 298.377 2.662 20 70 CFIDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160078726 524908253 /nfs/dbraw/zinc/90/82/53/524908253.db2.gz VEUBQSJRVYEBQD-TYNCELHUSA-N 1 1 298.377 2.662 20 70 CFIDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOc1ccc(F)cc1F ZINC000160078726 524908274 /nfs/dbraw/zinc/90/82/74/524908274.db2.gz VEUBQSJRVYEBQD-TYNCELHUSA-N 1 1 298.377 2.662 20 70 CFIDMO C[C@H](N[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000160071296 525554894 /nfs/dbraw/zinc/55/48/94/525554894.db2.gz LMVMKBVGASMFSA-GOEBONIOSA-N 1 1 290.455 2.868 20 70 CFIDMO C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1)c1cnn(C)c1 ZINC000160071296 525554900 /nfs/dbraw/zinc/55/49/00/525554900.db2.gz LMVMKBVGASMFSA-GOEBONIOSA-N 1 1 290.455 2.868 20 70 CFIDMO C[C@@H](O)C1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000217832912 525746861 /nfs/dbraw/zinc/74/68/61/525746861.db2.gz MOSRTLBVLVOTMQ-CYBMUJFWSA-N 1 1 277.412 2.591 20 70 CFIDMO CCOCCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000159587255 528660037 /nfs/dbraw/zinc/66/00/37/528660037.db2.gz NDVCZSWBHYEXDH-OAHLLOKOSA-N 1 1 267.369 2.687 20 70 CFIDMO Cc1nc2ccccn2c1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000160501768 282091400 /nfs/dbraw/zinc/09/14/00/282091400.db2.gz GGZKXPZOXLXOPQ-QWHCGFSZSA-N 1 1 275.421 2.969 20 70 CFIDMO Cc1cccn2c(=O)cc(C[N@H+]3CC[C@@H]4CCCC[C@@H]43)nc12 ZINC000159632345 348013279 /nfs/dbraw/zinc/01/32/79/348013279.db2.gz SAZFQHIMADAMAM-HOCLYGCPSA-N 1 1 297.402 2.767 20 70 CFIDMO C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000160760364 348020468 /nfs/dbraw/zinc/02/04/68/348020468.db2.gz CFKWJASMCWHDKU-ZFWWWQNUSA-N 1 1 299.418 2.804 20 70 CFIDMO C[C@@H](C1CC1)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160853956 348021568 /nfs/dbraw/zinc/02/15/68/348021568.db2.gz JGVWWDYDIRUWRJ-LBPRGKRZSA-N 1 1 270.380 2.712 20 70 CFIDMO CCC(C)(CC)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000159494763 539825819 /nfs/dbraw/zinc/82/58/19/539825819.db2.gz XQJIEEXZKPVZFY-KGLIPLIRSA-N 1 1 266.429 2.755 20 70 CFIDMO CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000159667718 540661165 /nfs/dbraw/zinc/66/11/65/540661165.db2.gz YUHPCHJAMZBLCL-GJZGRUSLSA-N 1 1 264.413 2.509 20 70 CFIDMO Cc1cccc([C@H]2CCC[N@@H+]2CCCc2cnn(C)c2)n1 ZINC000159819658 541012858 /nfs/dbraw/zinc/01/28/58/541012858.db2.gz MUQKIQGEBIGENZ-QGZVFWFLSA-N 1 1 284.407 2.893 20 70 CFIDMO C[N@@H+](C[C@H](O)C1CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000160762141 541472411 /nfs/dbraw/zinc/47/24/11/541472411.db2.gz QXXASVXDLIPSKO-CVEARBPZSA-N 1 1 263.356 2.906 20 70 CFIDMO C[C@@H]([NH2+]CCC(C)(C)O)c1nc(C2CCCCC2)no1 ZINC000160058588 378745033 /nfs/dbraw/zinc/74/50/33/378745033.db2.gz ISIFEHQJXCUXFV-LLVKDONJSA-N 1 1 281.400 2.929 20 70 CFIDMO Cc1cnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000160223271 378758068 /nfs/dbraw/zinc/75/80/68/378758068.db2.gz QONXQTKAWRRZHA-HOCLYGCPSA-N 1 1 282.391 2.717 20 70 CFIDMO CCc1nnc(C[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)[nH]1 ZINC000159369946 378705786 /nfs/dbraw/zinc/70/57/86/378705786.db2.gz VIUOPMIENGURBF-AWEZNQCLSA-N 1 1 284.407 2.993 20 70 CFIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC000159399521 378706868 /nfs/dbraw/zinc/70/68/68/378706868.db2.gz BWSOHOQKCFZZLB-ZJUUUORDSA-N 1 1 272.186 2.823 20 70 CFIDMO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159430654 378708620 /nfs/dbraw/zinc/70/86/20/378708620.db2.gz RWIKQGSMQWUCNM-QWRGUYRKSA-N 1 1 284.350 2.920 20 70 CFIDMO CC[N@H+](CCc1nccs1)Cc1nccs1 ZINC000159442926 378710673 /nfs/dbraw/zinc/71/06/73/378710673.db2.gz UNUJMDGZIMKSRY-UHFFFAOYSA-N 1 1 253.396 2.664 20 70 CFIDMO CC[N@@H+](CCc1nccs1)Cc1nccs1 ZINC000159442926 378710682 /nfs/dbraw/zinc/71/06/82/378710682.db2.gz UNUJMDGZIMKSRY-UHFFFAOYSA-N 1 1 253.396 2.664 20 70 CFIDMO CC[C@H]([NH2+]CCCn1ccc2ccccc21)C(=O)OC ZINC000159486764 378712731 /nfs/dbraw/zinc/71/27/31/378712731.db2.gz LFNGFEYRHYELKI-AWEZNQCLSA-N 1 1 274.364 2.573 20 70 CFIDMO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159534091 378715465 /nfs/dbraw/zinc/71/54/65/378715465.db2.gz NITTZVMLKRPZSJ-WDEREUQCSA-N 1 1 284.350 2.872 20 70 CFIDMO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159534314 378715732 /nfs/dbraw/zinc/71/57/32/378715732.db2.gz NITTZVMLKRPZSJ-GHMZBOCLSA-N 1 1 284.350 2.872 20 70 CFIDMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159712245 378725743 /nfs/dbraw/zinc/72/57/43/378725743.db2.gz UEPJMGYCZFBVDC-OCCSQVGLSA-N 1 1 285.334 2.881 20 70 CFIDMO CN(C)c1cccc(C[N@@H+](C)Cc2cccnc2)c1 ZINC000159788642 378730184 /nfs/dbraw/zinc/73/01/84/378730184.db2.gz HWFQHLHCYNTQRV-UHFFFAOYSA-N 1 1 255.365 2.780 20 70 CFIDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCn1ccnc1 ZINC000159837758 378733749 /nfs/dbraw/zinc/73/37/49/378733749.db2.gz NPVJFFULTYRVHH-ZFWWWQNUSA-N 1 1 273.355 2.900 20 70 CFIDMO c1ccc2[nH+]c(N[C@@H]3CCO[C@H](C4CC4)C3)[nH]c2c1 ZINC000160397281 378769157 /nfs/dbraw/zinc/76/91/57/378769157.db2.gz WOWSMURIMUPWTA-RISCZKNCSA-N 1 1 257.337 2.932 20 70 CFIDMO COc1ccc(CN(C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000161275530 378836303 /nfs/dbraw/zinc/83/63/03/378836303.db2.gz QYYNBVMIZLRIBY-HNNXBMFYSA-N 1 1 262.397 2.611 20 70 CFIDMO C[C@H](CN[C@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC000160866585 378805997 /nfs/dbraw/zinc/80/59/97/378805997.db2.gz WMGHNYFKUHKADC-HUUCEWRRSA-N 1 1 286.423 2.591 20 70 CFIDMO C[C@H](CN[C@H](C)c1cnn(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000160866585 378806006 /nfs/dbraw/zinc/80/60/06/378806006.db2.gz WMGHNYFKUHKADC-HUUCEWRRSA-N 1 1 286.423 2.591 20 70 CFIDMO CC[N@@H+](Cc1cncs1)C[C@@H]1COc2ccccc2O1 ZINC000160949708 378810993 /nfs/dbraw/zinc/81/09/93/378810993.db2.gz JVZBZSPQDHLRGA-GFCCVEGCSA-N 1 1 290.388 2.805 20 70 CFIDMO CC[N@H+](Cc1cncs1)C[C@@H]1COc2ccccc2O1 ZINC000160949708 378811000 /nfs/dbraw/zinc/81/10/00/378811000.db2.gz JVZBZSPQDHLRGA-GFCCVEGCSA-N 1 1 290.388 2.805 20 70 CFIDMO C[C@@H](CO)[N@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000161017110 378815782 /nfs/dbraw/zinc/81/57/82/378815782.db2.gz CVFSGJRBJZYZFM-VIFPVBQESA-N 1 1 298.358 2.901 20 70 CFIDMO C[C@@H](CO)[N@@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000161017110 378815788 /nfs/dbraw/zinc/81/57/88/378815788.db2.gz CVFSGJRBJZYZFM-VIFPVBQESA-N 1 1 298.358 2.901 20 70 CFIDMO C[NH+]1CCC(N[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000161444082 378847887 /nfs/dbraw/zinc/84/78/87/378847887.db2.gz KIAIWHLRHOPAOC-OAHLLOKOSA-N 1 1 278.371 2.723 20 70 CFIDMO CCCC[N@@H+](C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160758517 322342112 /nfs/dbraw/zinc/34/21/12/322342112.db2.gz UCUOUQZMFDNOCQ-HUUCEWRRSA-N 1 1 285.453 2.632 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(OC)c(OC)c1 ZINC000217383180 382786155 /nfs/dbraw/zinc/78/61/55/382786155.db2.gz SKZSUSZYCAOSBJ-CYBMUJFWSA-N 1 1 280.412 2.524 20 70 CFIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000217383180 382786158 /nfs/dbraw/zinc/78/61/58/382786158.db2.gz SKZSUSZYCAOSBJ-CYBMUJFWSA-N 1 1 280.412 2.524 20 70 CFIDMO CC[C@@H](C)[N@H+](C)CCNCc1cc(C)c(O)c(C)c1 ZINC000217735574 382788031 /nfs/dbraw/zinc/78/80/31/382788031.db2.gz YVQYCRZMYKXFSK-CQSZACIVSA-N 1 1 264.413 2.829 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cc(C)c(O)c(C)c1 ZINC000217735574 382788032 /nfs/dbraw/zinc/78/80/32/382788032.db2.gz YVQYCRZMYKXFSK-CQSZACIVSA-N 1 1 264.413 2.829 20 70 CFIDMO COCCCC[N@@H+](CCc1nccs1)C(C)C ZINC000159942987 533255758 /nfs/dbraw/zinc/25/57/58/533255758.db2.gz ZTLDOFVZCDHQJU-UHFFFAOYSA-N 1 1 256.415 2.823 20 70 CFIDMO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218125374 397620749 /nfs/dbraw/zinc/62/07/49/397620749.db2.gz NMBKRJLHZOPLHP-UAGQMJEPSA-N 1 1 288.435 2.843 20 70 CFIDMO C[C@H]1C[C@H]([NH3+])CCN1Cc1cccc2cccnc21 ZINC000159450721 322322810 /nfs/dbraw/zinc/32/28/10/322322810.db2.gz CAOVVNCVIPSVTL-SWLSCSKDSA-N 1 1 255.365 2.546 20 70 CFIDMO C[N@H+]1CCC[C@H](CNC(=O)CC/C=C/c2ccccc2)C1 ZINC000159506456 322323298 /nfs/dbraw/zinc/32/32/98/322323298.db2.gz APLWBVCANVPUCA-JSNVTFDYSA-N 1 1 286.419 2.938 20 70 CFIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccccc1F ZINC000159613740 322325188 /nfs/dbraw/zinc/32/51/88/322325188.db2.gz LNAQLHLZZCGTPN-BBRMVZONSA-N 1 1 290.382 2.706 20 70 CFIDMO Cc1nc2ccccn2c1C[N@H+]1CCS[C@H](C)C1 ZINC000159796047 322328493 /nfs/dbraw/zinc/32/84/93/322328493.db2.gz XNFYLAJDIIHZDZ-LLVKDONJSA-N 1 1 261.394 2.580 20 70 CFIDMO Cc1cccc([C@H](C)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000159903869 322329997 /nfs/dbraw/zinc/32/99/97/322329997.db2.gz AMWNOSMAEZXXQP-HOTGVXAUSA-N 1 1 288.435 2.947 20 70 CFIDMO C[C@@H]1CCC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159917437 322330651 /nfs/dbraw/zinc/33/06/51/322330651.db2.gz WDKXONIGLIZTKJ-CYBMUJFWSA-N 1 1 266.429 2.755 20 70 CFIDMO CC(C)C[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000160245696 322335283 /nfs/dbraw/zinc/33/52/83/322335283.db2.gz RZSDLGJUTDZXFG-CABCVRRESA-N 1 1 283.460 2.698 20 70 CFIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000160560992 322339385 /nfs/dbraw/zinc/33/93/85/322339385.db2.gz HFWFKTLXRUAPQC-FZMZJTMJSA-N 1 1 294.443 2.732 20 70 CFIDMO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2Cc2ccccc2)n1 ZINC000160654527 322341289 /nfs/dbraw/zinc/34/12/89/322341289.db2.gz WAQZAGSUGANUEJ-INIZCTEOSA-N 1 1 297.402 2.952 20 70 CFIDMO Cn1cnnc1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000160847052 322344026 /nfs/dbraw/zinc/34/40/26/322344026.db2.gz GLDROXQJXJQHAF-UHFFFAOYSA-N 1 1 270.380 2.617 20 70 CFIDMO Cn1cnnc1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000160847052 322344028 /nfs/dbraw/zinc/34/40/28/322344028.db2.gz GLDROXQJXJQHAF-UHFFFAOYSA-N 1 1 270.380 2.617 20 70 CFIDMO Cc1cnc(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)o1 ZINC000160928471 322344664 /nfs/dbraw/zinc/34/46/64/322344664.db2.gz FBJAEEIGPXBVLI-UHFFFAOYSA-N 1 1 287.407 2.983 20 70 CFIDMO CS[C@@H](C)CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000161261397 322349506 /nfs/dbraw/zinc/34/95/06/322349506.db2.gz MCSIVJZNFKXJJJ-LBPRGKRZSA-N 1 1 272.458 2.509 20 70 CFIDMO CC[N@@H+]1CCc2nc(NC(=O)C(F)=C(C)C)sc2C1 ZINC000159746359 521724888 /nfs/dbraw/zinc/72/48/88/521724888.db2.gz ONRYHNHHPHFZFG-UHFFFAOYSA-N 1 1 283.372 2.723 20 70 CFIDMO CC[N@H+]1CCc2nc(NC(=O)C(F)=C(C)C)sc2C1 ZINC000159746359 521724889 /nfs/dbraw/zinc/72/48/89/521724889.db2.gz ONRYHNHHPHFZFG-UHFFFAOYSA-N 1 1 283.372 2.723 20 70 CFIDMO Cc1c(C[N@H+](CCc2nccs2)C(C)C)cnn1C ZINC000159956182 533844878 /nfs/dbraw/zinc/84/48/78/533844878.db2.gz IMWBWCZYJIGIDO-UHFFFAOYSA-N 1 1 278.425 2.638 20 70 CFIDMO CC(C)C[C@H]1COCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160412638 519418144 /nfs/dbraw/zinc/41/81/44/519418144.db2.gz ZLQRNLQITYYQQY-AWEZNQCLSA-N 1 1 273.380 2.581 20 70 CFIDMO CC(C)C[C@H]1COCC[N@H+]1Cc1cnc2ccccn12 ZINC000160412638 519418148 /nfs/dbraw/zinc/41/81/48/519418148.db2.gz ZLQRNLQITYYQQY-AWEZNQCLSA-N 1 1 273.380 2.581 20 70 CFIDMO CC(C)n1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160774719 520001007 /nfs/dbraw/zinc/00/10/07/520001007.db2.gz UARCNRRWUGPZRO-ZBFHGGJFSA-N 1 1 277.412 2.591 20 70 CFIDMO CC(C)n1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160774719 520001017 /nfs/dbraw/zinc/00/10/17/520001017.db2.gz UARCNRRWUGPZRO-ZBFHGGJFSA-N 1 1 277.412 2.591 20 70 CFIDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161074656 520964452 /nfs/dbraw/zinc/96/44/52/520964452.db2.gz GHWDOFKOVXGXIQ-CVEARBPZSA-N 1 1 263.381 2.821 20 70 CFIDMO COC(C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1)OC ZINC000161255322 522533949 /nfs/dbraw/zinc/53/39/49/522533949.db2.gz LCKNAHKVQZQYDN-ZFWWWQNUSA-N 1 1 263.381 2.731 20 70 CFIDMO CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2cnn(C)c2)C1 ZINC000161017401 523089191 /nfs/dbraw/zinc/08/91/91/523089191.db2.gz FCWBPRUTWPYIRH-GJZGRUSLSA-N 1 1 292.471 2.971 20 70 CFIDMO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000161017401 523089198 /nfs/dbraw/zinc/08/91/98/523089198.db2.gz FCWBPRUTWPYIRH-GJZGRUSLSA-N 1 1 292.471 2.971 20 70 CFIDMO CC[C@@H]1C[N@@H+](Cc2c(C)nc3ccccn32)CCS1 ZINC000160883707 523450379 /nfs/dbraw/zinc/45/03/79/523450379.db2.gz GKBAUUOHISBUPC-CYBMUJFWSA-N 1 1 275.421 2.970 20 70 CFIDMO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C1CCOCC1 ZINC000160708474 523545241 /nfs/dbraw/zinc/54/52/41/523545241.db2.gz PXTZLUCHHYNAHJ-UHFFFAOYSA-N 1 1 271.364 2.688 20 70 CFIDMO COCC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161232757 523584529 /nfs/dbraw/zinc/58/45/29/523584529.db2.gz BVEJSKLWJKSOSL-UHFFFAOYSA-N 1 1 273.380 2.588 20 70 CFIDMO 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ZINC000160927654 378809719 /nfs/dbraw/zinc/80/97/19/378809719.db2.gz UJWSQZBKZPAZDE-QGZVFWFLSA-N 1 1 276.424 2.574 20 70 CFIDMO C[C@H](O)C[N@H+](CCCN1CCCCC1)C1CCCCC1 ZINC000160927935 378810071 /nfs/dbraw/zinc/81/00/71/378810071.db2.gz OUMIKXSFZPNESJ-INIZCTEOSA-N 1 1 282.472 2.878 20 70 CFIDMO C[C@H](O)C[N@@H+](CCCN1CCCCC1)C1CCCCC1 ZINC000160927935 378810078 /nfs/dbraw/zinc/81/00/78/378810078.db2.gz OUMIKXSFZPNESJ-INIZCTEOSA-N 1 1 282.472 2.878 20 70 CFIDMO CCc1cc(=O)[nH]c(C[N@@H+](C)CCc2ccc(F)cc2)n1 ZINC000160982757 378813108 /nfs/dbraw/zinc/81/31/08/378813108.db2.gz ARLSOXGYYZRNEY-UHFFFAOYSA-N 1 1 289.354 2.558 20 70 CFIDMO C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000160101218 322332901 /nfs/dbraw/zinc/33/29/01/322332901.db2.gz UAENLXUOGYQNPS-UONOGXRCSA-N 1 1 266.429 2.661 20 70 CFIDMO C[N@H+]1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC000160107187 322333190 /nfs/dbraw/zinc/33/31/90/322333190.db2.gz RJRPEPVHYDWBMH-CQSZACIVSA-N 1 1 266.429 2.661 20 70 CFIDMO O[C@H](C[N@@H+]1CCO[C@@H]2CCC[C@H]21)c1cc2ccccc2o1 ZINC000216957010 382785368 /nfs/dbraw/zinc/78/53/68/382785368.db2.gz FWXCWSRCMYGVCG-IIAWOOMASA-N 1 1 287.359 2.720 20 70 CFIDMO O[C@H](C[N@H+]1CCO[C@@H]2CCC[C@H]21)c1cc2ccccc2o1 ZINC000216957010 382785370 /nfs/dbraw/zinc/78/53/70/382785370.db2.gz FWXCWSRCMYGVCG-IIAWOOMASA-N 1 1 287.359 2.720 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNc1ncnc2sccc21 ZINC000217367520 382786233 /nfs/dbraw/zinc/78/62/33/382786233.db2.gz QGXFNIYPCJCZQW-JTQLQIEISA-N 1 1 264.398 2.834 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(OC)c(OC)c1 ZINC000217383253 382786544 /nfs/dbraw/zinc/78/65/44/382786544.db2.gz SKZSUSZYCAOSBJ-ZDUSSCGKSA-N 1 1 280.412 2.524 20 70 CFIDMO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000217383253 382786548 /nfs/dbraw/zinc/78/65/48/382786548.db2.gz SKZSUSZYCAOSBJ-ZDUSSCGKSA-N 1 1 280.412 2.524 20 70 CFIDMO CC[N@H+](Cc1ccncc1)C[C@@H](O)c1ccccc1F ZINC000218153457 382789283 /nfs/dbraw/zinc/78/92/83/382789283.db2.gz XCBJZKAIOAEHDR-MRXNPFEDSA-N 1 1 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Cc1ccc(C(=O)CC[N@@H+](CCCCO)C2CC2)cc1 ZINC000159797460 526040808 /nfs/dbraw/zinc/04/08/08/526040808.db2.gz AZGCMJDOMZWTQN-UHFFFAOYSA-N 1 1 275.392 2.805 20 70 CFIDMO Cc1ccc2cc(CN3CC[C@@H]([NH3+])[C@@H](C)C3)ccc2n1 ZINC000218371297 526230800 /nfs/dbraw/zinc/23/08/00/526230800.db2.gz SYNGHXYJRWNRCP-BLLLJJGKSA-N 1 1 269.392 2.712 20 70 CFIDMO c1cc2cccc(CN[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000218109281 526450295 /nfs/dbraw/zinc/45/02/95/526450295.db2.gz MYOQIJPKIRCXTL-CVEARBPZSA-N 1 1 269.392 2.884 20 70 CFIDMO c1cc2cccc(C[NH2+][C@@H]3CCN4CCCC[C@@H]34)c2[nH]1 ZINC000218109281 526450307 /nfs/dbraw/zinc/45/03/07/526450307.db2.gz MYOQIJPKIRCXTL-CVEARBPZSA-N 1 1 269.392 2.884 20 70 CFIDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000160948990 528229814 /nfs/dbraw/zinc/22/98/14/528229814.db2.gz RKEPJPAIWRYQCI-KRWDZBQOSA-N 1 1 299.418 2.701 20 70 CFIDMO CCC(=O)c1cccc(NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000160807197 528476215 /nfs/dbraw/zinc/47/62/15/528476215.db2.gz NKRCBYOXQLNKFE-HNNXBMFYSA-N 1 1 276.380 2.804 20 70 CFIDMO c1csc([C@H]2CCC[N@H+](CCOCC3CC3)C2)n1 ZINC000160001059 232246988 /nfs/dbraw/zinc/24/69/88/232246988.db2.gz KQHSDJPAFFFBSD-ZDUSSCGKSA-N 1 1 266.410 2.749 20 70 CFIDMO CCCC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1ccccc1F ZINC000159951391 348014936 /nfs/dbraw/zinc/01/49/36/348014936.db2.gz PFAQKNLXKKNLSB-AWEZNQCLSA-N 1 1 294.414 2.852 20 70 CFIDMO CC[C@@H](CC(=O)NCC[N@@H+](C)CC)c1ccc(C)cc1 ZINC000160146698 348016025 /nfs/dbraw/zinc/01/60/25/348016025.db2.gz MJFNQQFSPGGLGD-HNNXBMFYSA-N 1 1 276.424 2.947 20 70 CFIDMO CCC[N@@H+](CC)CCN[C@@H]1CCCc2cccnc21 ZINC000217704276 539663244 /nfs/dbraw/zinc/66/32/44/539663244.db2.gz DSFAAUMADCDQRL-OAHLLOKOSA-N 1 1 261.413 2.781 20 70 CFIDMO CCCN(CC)CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000217704276 539663248 /nfs/dbraw/zinc/66/32/48/539663248.db2.gz DSFAAUMADCDQRL-OAHLLOKOSA-N 1 1 261.413 2.781 20 70 CFIDMO CCCn1nccc1C[NH2+]C[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000160112998 540668842 /nfs/dbraw/zinc/66/88/42/540668842.db2.gz FCZKKDZPKGZXHY-RDJZCZTQSA-N 1 1 292.471 2.893 20 70 CFIDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000160351856 540671539 /nfs/dbraw/zinc/67/15/39/540671539.db2.gz RDRVIHLFIWBKLB-QGZVFWFLSA-N 1 1 280.371 2.803 20 70 CFIDMO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)N ZINC000218302620 541028400 /nfs/dbraw/zinc/02/84/00/541028400.db2.gz PDWUBLPQWIGEEV-VHSXEESVSA-N 1 1 260.303 2.573 20 70 CFIDMO C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000160789833 541479775 /nfs/dbraw/zinc/47/97/75/541479775.db2.gz BEQPFTVOWOETFF-IJEWVQPXSA-N 1 1 289.423 2.516 20 70 CFIDMO c1ccc(OCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161288256 541578980 /nfs/dbraw/zinc/57/89/80/541578980.db2.gz DGQJWNVVLGSEGT-UHFFFAOYSA-N 1 1 297.402 2.673 20 70 CFIDMO C[C@H](c1cccs1)[N@@H+](C)CCCCS(C)(=O)=O ZINC000161474647 541649844 /nfs/dbraw/zinc/64/98/44/541649844.db2.gz IWRRTDJVLOFORI-LLVKDONJSA-N 1 1 275.439 2.566 20 70 CFIDMO CCOC[C@H]1CC[N@@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159987674 378741626 /nfs/dbraw/zinc/74/16/26/378741626.db2.gz DVMVMYSQRYUPIQ-HNNXBMFYSA-N 1 1 275.392 2.926 20 70 CFIDMO CC(C)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2F)C1=O ZINC000159443241 378710781 /nfs/dbraw/zinc/71/07/81/378710781.db2.gz DJFISYJOFBCHET-MFKMUULPSA-N 1 1 282.334 2.625 20 70 CFIDMO C[N@H+](Cc1cc(-c2ccco2)on1)C[C@H]1CCC[C@@H]1O ZINC000159570145 378717112 /nfs/dbraw/zinc/71/71/12/378717112.db2.gz ZKOADWUQNZCOCR-YPMHNXCESA-N 1 1 276.336 2.527 20 70 CFIDMO CCCCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159617306 378720156 /nfs/dbraw/zinc/72/01/56/378720156.db2.gz QZQRSJBZKCVPIX-CABCVRRESA-N 1 1 281.396 2.984 20 70 CFIDMO CCCCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159617306 378720159 /nfs/dbraw/zinc/72/01/59/378720159.db2.gz QZQRSJBZKCVPIX-CABCVRRESA-N 1 1 281.396 2.984 20 70 CFIDMO Clc1ccc([C@H]2C[N@H+](CCn3ccnc3)CCO2)cc1 ZINC000159767644 378729255 /nfs/dbraw/zinc/72/92/55/378729255.db2.gz KAQPTOUCKJQDRI-OAHLLOKOSA-N 1 1 291.782 2.610 20 70 CFIDMO Clc1ccc([C@H]2C[N@@H+](CCn3ccnc3)CCO2)cc1 ZINC000159767644 378729258 /nfs/dbraw/zinc/72/92/58/378729258.db2.gz KAQPTOUCKJQDRI-OAHLLOKOSA-N 1 1 291.782 2.610 20 70 CFIDMO NC(=O)CC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000159832189 378733772 /nfs/dbraw/zinc/73/37/72/378733772.db2.gz YXYYRDLIIBFHFC-UHFFFAOYSA-N 1 1 284.762 2.567 20 70 CFIDMO COC(C[N@@H+](C)Cc1ccc(C(C)C)cc1)OC ZINC000160502119 378777764 /nfs/dbraw/zinc/77/77/64/378777764.db2.gz MKIVXFPZYDPPJJ-UHFFFAOYSA-N 1 1 251.370 2.861 20 70 CFIDMO CN(C)c1ncc(C[N@H+](C)Cc2ccc(Cl)cc2)cn1 ZINC000160811501 378800796 /nfs/dbraw/zinc/80/07/96/378800796.db2.gz VNHLZHMYCGYMJF-UHFFFAOYSA-N 1 1 290.798 2.828 20 70 CFIDMO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(Cl)cc2)cn1 ZINC000160811501 378800802 /nfs/dbraw/zinc/80/08/02/378800802.db2.gz VNHLZHMYCGYMJF-UHFFFAOYSA-N 1 1 290.798 2.828 20 70 CFIDMO CC[C@H]([NH2+]CC(=O)N1CCCC1)c1ccc(F)cc1F ZINC000160700050 378792048 /nfs/dbraw/zinc/79/20/48/378792048.db2.gz CGAZTRNQDRXRSR-AWEZNQCLSA-N 1 1 282.334 2.628 20 70 CFIDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160773543 378798370 /nfs/dbraw/zinc/79/83/70/378798370.db2.gz LDQRCWZABSOUOI-LMSBXDPUSA-N 1 1 290.451 2.819 20 70 CFIDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](C)SC)c1 ZINC000160857213 378803443 /nfs/dbraw/zinc/80/34/43/378803443.db2.gz SBNANJWWUNAYMK-CYBMUJFWSA-N 1 1 294.464 2.896 20 70 CFIDMO Cc1ccc(C[N@@H+](C)Cc2cccc3c2OCO3)o1 ZINC000160851490 378804091 /nfs/dbraw/zinc/80/40/91/378804091.db2.gz MKGJHWKNWCBQQX-UHFFFAOYSA-N 1 1 259.305 2.949 20 70 CFIDMO Cc1ccc(C[N@H+](C)Cc2cccc3c2OCO3)o1 ZINC000160851490 378804097 /nfs/dbraw/zinc/80/40/97/378804097.db2.gz MKGJHWKNWCBQQX-UHFFFAOYSA-N 1 1 259.305 2.949 20 70 CFIDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CCC1 ZINC000160917747 378810013 /nfs/dbraw/zinc/81/00/13/378810013.db2.gz KKYOWNPMGAJMTP-OAHLLOKOSA-N 1 1 281.444 2.691 20 70 CFIDMO Cc1cc(NC[C@H]2CCC[N@H+](CC(C)C)C2)ncn1 ZINC000161313002 378839742 /nfs/dbraw/zinc/83/97/42/378839742.db2.gz GARVMASXXOAAGK-CQSZACIVSA-N 1 1 262.401 2.565 20 70 CFIDMO CC[N@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C1CC1 ZINC000161395887 378844319 /nfs/dbraw/zinc/84/43/19/378844319.db2.gz LJUGFMDDRCGAJT-UHFFFAOYSA-N 1 1 277.393 2.586 20 70 CFIDMO CC[N@@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C1CC1 ZINC000161395887 378844325 /nfs/dbraw/zinc/84/43/25/378844325.db2.gz LJUGFMDDRCGAJT-UHFFFAOYSA-N 1 1 277.393 2.586 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNCc1cnn(-c2ccccc2)c1 ZINC000217399126 382786164 /nfs/dbraw/zinc/78/61/64/382786164.db2.gz SCPGOFBAWNDFIN-HNNXBMFYSA-N 1 1 286.423 2.692 20 70 CFIDMO CC[C@H](C)N(C)CC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000217399126 382786167 /nfs/dbraw/zinc/78/61/67/382786167.db2.gz SCPGOFBAWNDFIN-HNNXBMFYSA-N 1 1 286.423 2.692 20 70 CFIDMO Fc1ccc(F)c(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217635025 382787644 /nfs/dbraw/zinc/78/76/44/382787644.db2.gz UFGKKDCBHFYLMR-CABCVRRESA-N 1 1 266.335 2.681 20 70 CFIDMO CCOc1cc(CNCC[N@@H+](C)[C@H](C)CC)ccc1O ZINC000217880293 382788073 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/nfs/dbraw/zinc/34/65/22/322346522.db2.gz SGFPJSQDVXETPB-KBPBESRZSA-N 1 1 256.434 2.512 20 70 CFIDMO C[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCCc2ccccc21 ZINC000161428920 322351577 /nfs/dbraw/zinc/35/15/77/322351577.db2.gz SNIFIZNDLXZVED-LJQANCHMSA-N 1 1 298.430 2.587 20 70 CFIDMO CCC[N@H+]1CCCN(C(=O)CC2CCCCC2)CC1 ZINC000160389856 519848790 /nfs/dbraw/zinc/84/87/90/519848790.db2.gz YCEJKCVGFPXOTC-UHFFFAOYSA-N 1 1 266.429 2.901 20 70 CFIDMO CCC[N@H+]1CCCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000159930297 519850441 /nfs/dbraw/zinc/85/04/41/519850441.db2.gz OZNZFQVCWYJSGS-CYBMUJFWSA-N 1 1 280.437 2.796 20 70 CFIDMO CCOC[C@H]1CCC[N@@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160411405 520172308 /nfs/dbraw/zinc/17/23/08/520172308.db2.gz PTBDYJRBNISSFR-HNNXBMFYSA-N 1 1 287.407 2.891 20 70 CFIDMO CCCN(CC1CC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160807732 521621118 /nfs/dbraw/zinc/62/11/18/521621118.db2.gz HXCUAMYZISXFQY-HNNXBMFYSA-N 1 1 293.455 2.835 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(C(C)=O)c1 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CFIDMO C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160665090 348019656 /nfs/dbraw/zinc/01/96/56/348019656.db2.gz GFEJOBGQNPVTCM-CJNGLKHVSA-N 1 1 299.418 2.632 20 70 CFIDMO C[C@H]1Cc2ccccc2N1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160664956 348019688 /nfs/dbraw/zinc/01/96/88/348019688.db2.gz GFEJOBGQNPVTCM-XJKSGUPXSA-N 1 1 299.418 2.632 20 70 CFIDMO Cc1cccc2c1CCN2C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160755555 348020500 /nfs/dbraw/zinc/02/05/00/348020500.db2.gz YYZYVCKCUJYBRA-OAHLLOKOSA-N 1 1 299.418 2.551 20 70 CFIDMO CCC[N@@H+](CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161135400 539830529 /nfs/dbraw/zinc/83/05/29/539830529.db2.gz RSISVSDAHOCUSV-UHFFFAOYSA-N 1 1 283.437 2.723 20 70 CFIDMO COc1ccc([C@@H](C)[N@@H+](C)CCCCS(C)(=O)=O)cc1 ZINC000161335170 541590612 /nfs/dbraw/zinc/59/06/12/541590612.db2.gz GUTJGSOEYBCQMT-CYBMUJFWSA-N 1 1 299.436 2.513 20 70 CFIDMO CCC[N@H+](Cc1cncnc1)C[C@H]1COc2ccccc2O1 ZINC000161410075 541627803 /nfs/dbraw/zinc/62/78/03/541627803.db2.gz GFOHCWDQBHVQFR-HNNXBMFYSA-N 1 1 299.374 2.529 20 70 CFIDMO CCCN(C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000159903919 378737200 /nfs/dbraw/zinc/73/72/00/378737200.db2.gz CHERWLBMVPFNNH-HOCLYGCPSA-N 1 1 289.423 2.701 20 70 CFIDMO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)N1CCc2ccccc21 ZINC000159904077 378737232 /nfs/dbraw/zinc/73/72/32/378737232.db2.gz BWALXUPBBQXJRV-BFYDXBDKSA-N 1 1 287.451 2.510 20 70 CFIDMO C[N@@H+](CCOc1cccc(Cl)c1)CCn1ccnc1 ZINC000159689961 378724452 /nfs/dbraw/zinc/72/44/52/378724452.db2.gz TUKPHIUZFHFEDV-UHFFFAOYSA-N 1 1 279.771 2.547 20 70 CFIDMO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)C(=O)N1CCCC1 ZINC000159715067 378726353 /nfs/dbraw/zinc/72/63/53/378726353.db2.gz CDIPJRHWPQQINT-OBJOEFQTSA-N 1 1 276.380 2.504 20 70 CFIDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)[nH]1 ZINC000160310221 378764006 /nfs/dbraw/zinc/76/40/06/378764006.db2.gz OJTYOKFSSLJLIN-SECBINFHSA-N 1 1 296.321 2.819 20 70 CFIDMO Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160456128 378773877 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CCCCCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161057649 378818120 /nfs/dbraw/zinc/81/81/20/378818120.db2.gz XTJNADAHXRQYET-CQSZACIVSA-N 1 1 277.412 2.598 20 70 CFIDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCO2 ZINC000161127611 378824093 /nfs/dbraw/zinc/82/40/93/378824093.db2.gz CQHIRTHDGCOYKD-QEJZJMRPSA-N 1 1 290.407 2.939 20 70 CFIDMO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000161505028 378852951 /nfs/dbraw/zinc/85/29/51/378852951.db2.gz CHPWRENIQNIVPD-DLBZAZTESA-N 1 1 258.409 2.960 20 70 CFIDMO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000161505028 378852956 /nfs/dbraw/zinc/85/29/56/378852956.db2.gz CHPWRENIQNIVPD-DLBZAZTESA-N 1 1 258.409 2.960 20 70 CFIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)N1CCCCC1 ZINC000160585548 322340036 /nfs/dbraw/zinc/34/00/36/322340036.db2.gz VDJUWNDEOKWSBA-KBPBESRZSA-N 1 1 254.418 2.755 20 70 CFIDMO CC[C@H]1CO[C@H](C)C[N@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000216972076 382785049 /nfs/dbraw/zinc/78/50/49/382785049.db2.gz 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c1cc2cccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2[nH]1 ZINC000218114098 526450326 /nfs/dbraw/zinc/45/03/26/526450326.db2.gz VQVAROVVPDZSND-HZPDHXFCSA-N 1 1 269.392 2.884 20 70 CFIDMO c1cc2cccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2[nH]1 ZINC000218114098 526450330 /nfs/dbraw/zinc/45/03/30/526450330.db2.gz VQVAROVVPDZSND-HZPDHXFCSA-N 1 1 269.392 2.884 20 70 CFIDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000161175652 527446234 /nfs/dbraw/zinc/44/62/34/527446234.db2.gz WOWLGPZNNFSWLN-GZBFAFLISA-N 1 1 277.412 2.770 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000160879598 528296258 /nfs/dbraw/zinc/29/62/58/528296258.db2.gz ZCLOLEBAKBGSBQ-LBPRGKRZSA-N 1 1 289.466 2.954 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000160879598 528296265 /nfs/dbraw/zinc/29/62/65/528296265.db2.gz ZCLOLEBAKBGSBQ-LBPRGKRZSA-N 1 1 289.466 2.954 20 70 CFIDMO CCOCCC[N@@H+](CCc1nccs1)C(C)C ZINC000159857072 528658393 /nfs/dbraw/zinc/65/83/93/528658393.db2.gz QCTFXAMBUIOPIN-UHFFFAOYSA-N 1 1 256.415 2.823 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)NCCCCC(C)(C)C)CC1 ZINC000159822212 529022853 /nfs/dbraw/zinc/02/28/53/529022853.db2.gz LGCFXUUIGUKNGC-UHFFFAOYSA-N 1 1 283.460 2.940 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)NCCCC2CCCC2)CC1 ZINC000159646368 529023149 /nfs/dbraw/zinc/02/31/49/529023149.db2.gz QMPIMAYQYLYUFQ-UHFFFAOYSA-N 1 1 281.444 2.694 20 70 CFIDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC000160251911 545515255 /nfs/dbraw/zinc/51/52/55/545515255.db2.gz VBXGYGUEBPYLRO-ZBFHGGJFSA-N 1 1 289.423 2.566 20 70 CFIDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOCC1CC1 ZINC000160377025 232248402 /nfs/dbraw/zinc/24/84/02/232248402.db2.gz GOXRUPLZWGVDAS-WMLDXEAASA-N 1 1 275.392 2.875 20 70 CFIDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOCC1CC1 ZINC000160377025 232248404 /nfs/dbraw/zinc/24/84/04/232248404.db2.gz GOXRUPLZWGVDAS-WMLDXEAASA-N 1 1 275.392 2.875 20 70 CFIDMO CCN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000160641278 348019572 /nfs/dbraw/zinc/01/95/72/348019572.db2.gz TWESKKCYLQXWFF-OAHLLOKOSA-N 1 1 293.455 2.835 20 70 CFIDMO C[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160665224 348019732 /nfs/dbraw/zinc/01/97/32/348019732.db2.gz GFEJOBGQNPVTCM-BBRMVZONSA-N 1 1 299.418 2.632 20 70 CFIDMO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000160672609 348019772 /nfs/dbraw/zinc/01/97/72/348019772.db2.gz WJDBAAQRNNJFHK-ZDUSSCGKSA-N 1 1 270.380 2.714 20 70 CFIDMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000160672609 348019773 /nfs/dbraw/zinc/01/97/73/348019773.db2.gz WJDBAAQRNNJFHK-ZDUSSCGKSA-N 1 1 270.380 2.714 20 70 CFIDMO CS(=O)(=O)CCCC[N@@H+](Cc1cccs1)C1CC1 ZINC000161368385 539831051 /nfs/dbraw/zinc/83/10/51/539831051.db2.gz HNRXXBBSWDJOSN-UHFFFAOYSA-N 1 1 287.450 2.537 20 70 CFIDMO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2F)C1=O ZINC000159443011 188425236 /nfs/dbraw/zinc/42/52/36/188425236.db2.gz DJFISYJOFBCHET-GWCFXTLKSA-N 1 1 282.334 2.625 20 70 CFIDMO Cc1ccnc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000161304253 188521135 /nfs/dbraw/zinc/52/11/35/188521135.db2.gz TXPNMPRXGZDTHR-AWEZNQCLSA-N 1 1 262.401 2.565 20 70 CFIDMO Cc1cc(C(=O)Cn2c(C)[nH+]c3c2CCCC3)c(C)n1C ZINC000216687869 540431177 /nfs/dbraw/zinc/43/11/77/540431177.db2.gz IUDJSAAOEZLHCR-UHFFFAOYSA-N 1 1 285.391 2.909 20 70 CFIDMO CCCn1nccc1C[NH2+]C[C@@H](C(CC)CC)N(C)C ZINC000159990616 540666841 /nfs/dbraw/zinc/66/68/41/540666841.db2.gz MMMYFJNTHLQHHN-INIZCTEOSA-N 1 1 280.460 2.749 20 70 CFIDMO CC[N@@H+](CCCc1cccc(OC)c1)CCC(=O)OC ZINC000159850891 378734535 /nfs/dbraw/zinc/73/45/35/378734535.db2.gz JHDOZVDGCIOJPE-UHFFFAOYSA-N 1 1 279.380 2.513 20 70 CFIDMO CCN(CC)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000159848483 378734573 /nfs/dbraw/zinc/73/45/73/378734573.db2.gz MMDAROKOPLTGSQ-HOCLYGCPSA-N 1 1 289.423 2.701 20 70 CFIDMO CCOC[C@@H]1CC[N@@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159987527 378742401 /nfs/dbraw/zinc/74/24/01/378742401.db2.gz DVMVMYSQRYUPIQ-OAHLLOKOSA-N 1 1 275.392 2.926 20 70 CFIDMO Cc1ccc(C(=O)CC[N@H+](C)C[C@H]2CCOC2)cc1 ZINC000160026444 378744066 /nfs/dbraw/zinc/74/40/66/378744066.db2.gz BRGLELLQJAPUCA-CQSZACIVSA-N 1 1 261.365 2.536 20 70 CFIDMO C[N@H+](CCOc1ccc2ccccc2c1)[C@H](CN)C1CC1 ZINC000160139485 378750479 /nfs/dbraw/zinc/75/04/79/378750479.db2.gz MDVDHZRPHRKQHZ-GOSISDBHSA-N 1 1 284.403 2.888 20 70 CFIDMO C[N@@H+](CCOc1ccc2ccccc2c1)[C@H](CN)C1CC1 ZINC000160139485 378750482 /nfs/dbraw/zinc/75/04/82/378750482.db2.gz MDVDHZRPHRKQHZ-GOSISDBHSA-N 1 1 284.403 2.888 20 70 CFIDMO Cc1ncc([C@H](C)[NH2+]Cc2cn3ccccc3n2)c(C)n1 ZINC000159414815 378709151 /nfs/dbraw/zinc/70/91/51/378709151.db2.gz SDPPVPXXYRLCHD-NSHDSACASA-N 1 1 281.363 2.592 20 70 CFIDMO C[C@@H](O)C[N@@H+](C)[C@H](C)CCSc1ccccc1 ZINC000159456147 378710276 /nfs/dbraw/zinc/71/02/76/378710276.db2.gz IYCVFSJWIWCNCJ-CHWSQXEVSA-N 1 1 253.411 2.870 20 70 CFIDMO CC[C@@H]([NH2+]CCCn1ccc2ccccc21)C(=O)OC ZINC000159486897 378711883 /nfs/dbraw/zinc/71/18/83/378711883.db2.gz LFNGFEYRHYELKI-CQSZACIVSA-N 1 1 274.364 2.573 20 70 CFIDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC1CCCCCC1 ZINC000159672512 378723528 /nfs/dbraw/zinc/72/35/28/378723528.db2.gz GJJNSMZEOLWBMY-OCCSQVGLSA-N 1 1 252.402 2.543 20 70 CFIDMO Clc1ccc([C@@H]2C[N@H+](CCn3ccnc3)CCO2)cc1 ZINC000159767522 378728999 /nfs/dbraw/zinc/72/89/99/378728999.db2.gz KAQPTOUCKJQDRI-HNNXBMFYSA-N 1 1 291.782 2.610 20 70 CFIDMO Clc1ccc([C@@H]2C[N@@H+](CCn3ccnc3)CCO2)cc1 ZINC000159767522 378729003 /nfs/dbraw/zinc/72/90/03/378729003.db2.gz KAQPTOUCKJQDRI-HNNXBMFYSA-N 1 1 291.782 2.610 20 70 CFIDMO Cc1ccc([C@H]2CSCC[N@H+]2CCn2ccnc2)cc1 ZINC000159832254 378733476 /nfs/dbraw/zinc/73/34/76/378733476.db2.gz AGJBAPVJCXJNGM-MRXNPFEDSA-N 1 1 287.432 2.982 20 70 CFIDMO COCC[C@H](C)Nc1cc[nH+]cc1Br ZINC000159852515 378733966 /nfs/dbraw/zinc/73/39/66/378733966.db2.gz WSJSQYHQQXNKFU-QMMMGPOBSA-N 1 1 259.147 2.681 20 70 CFIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccs1 ZINC000160427905 378771660 /nfs/dbraw/zinc/77/16/60/378771660.db2.gz NINDTEBQOJTXML-GFCCVEGCSA-N 1 1 266.410 2.598 20 70 CFIDMO CC(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160618327 378785574 /nfs/dbraw/zinc/78/55/74/378785574.db2.gz UFRPFGLDCFFYRS-OAHLLOKOSA-N 1 1 276.380 2.786 20 70 CFIDMO CN(C)c1cc[nH+]c(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000160660860 378789466 /nfs/dbraw/zinc/78/94/66/378789466.db2.gz XOVQQALBXJXSRF-LSDHHAIUSA-N 1 1 298.390 2.875 20 70 CFIDMO COc1ccc(C[N@H+](CC(OC)OC)[C@@H](C)C2CC2)cc1 ZINC000160669079 378789937 /nfs/dbraw/zinc/78/99/37/378789937.db2.gz TYFMAJJJTOVDIT-ZDUSSCGKSA-N 1 1 293.407 2.915 20 70 CFIDMO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)NC(C)(C)CC ZINC000161180953 378829034 /nfs/dbraw/zinc/82/90/34/378829034.db2.gz RNSGRKZTXBKORP-CYBMUJFWSA-N 1 1 277.412 2.597 20 70 CFIDMO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)NC(C)(C)CC ZINC000161180953 378829041 /nfs/dbraw/zinc/82/90/41/378829041.db2.gz RNSGRKZTXBKORP-CYBMUJFWSA-N 1 1 277.412 2.597 20 70 CFIDMO CCC[N@@H+](CCO)Cc1cc2cc(OC)ccc2o1 ZINC000161236388 378833035 /nfs/dbraw/zinc/83/30/35/378833035.db2.gz AFEIZOMAGIWDOR-UHFFFAOYSA-N 1 1 263.337 2.646 20 70 CFIDMO CC[C@@H]([NH2+]CC(=O)N(CC)CC)c1ccc(F)cc1F ZINC000160828889 378802838 /nfs/dbraw/zinc/80/28/38/378802838.db2.gz UTIMPWPIBKNDLW-CQSZACIVSA-N 1 1 284.350 2.874 20 70 CFIDMO Cc1nccc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000160867468 378805667 /nfs/dbraw/zinc/80/56/67/378805667.db2.gz RNZKLYKKNXOYIK-BBRMVZONSA-N 1 1 282.391 2.860 20 70 CFIDMO C[C@H](CO)[N@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000161017212 378816685 /nfs/dbraw/zinc/81/66/85/378816685.db2.gz CVFSGJRBJZYZFM-SECBINFHSA-N 1 1 298.358 2.901 20 70 CFIDMO C[C@H](CO)[N@@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000161017212 378816689 /nfs/dbraw/zinc/81/66/89/378816689.db2.gz CVFSGJRBJZYZFM-SECBINFHSA-N 1 1 298.358 2.901 20 70 CFIDMO Cc1ccc(C(=O)CC[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000161272217 378835432 /nfs/dbraw/zinc/83/54/32/378835432.db2.gz LIFZPJSPXHFDHA-INIZCTEOSA-N 1 1 273.376 2.679 20 70 CFIDMO Cc1ccc(C(=O)CC[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000161272217 378835437 /nfs/dbraw/zinc/83/54/37/378835437.db2.gz LIFZPJSPXHFDHA-INIZCTEOSA-N 1 1 273.376 2.679 20 70 CFIDMO COC(C[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1)OC ZINC000161271380 378835609 /nfs/dbraw/zinc/83/56/09/378835609.db2.gz LRHPOJPLFVQBHN-RISCZKNCSA-N 1 1 267.344 2.828 20 70 CFIDMO COc1ccccc1[C@H](O)CNc1cc(C)cc[nH+]1 ZINC000161336425 378839239 /nfs/dbraw/zinc/83/92/39/378839239.db2.gz DHZFWZBRSYPLLF-CYBMUJFWSA-N 1 1 258.321 2.544 20 70 CFIDMO CCCC1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000160747624 322342256 /nfs/dbraw/zinc/34/22/56/322342256.db2.gz FLODLYKLJLQHKW-CYBMUJFWSA-N 1 1 252.402 2.557 20 70 CFIDMO C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)C[C@@H]1CCCO1 ZINC000216963674 382785390 /nfs/dbraw/zinc/78/53/90/382785390.db2.gz GXBSCAFWCKUTMQ-UONOGXRCSA-N 1 1 275.348 2.577 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNCc1cccc2c1OCCCO2 ZINC000217397117 382786253 /nfs/dbraw/zinc/78/62/53/382786253.db2.gz YIOXKFSUCFHYBY-AWEZNQCLSA-N 1 1 292.423 2.668 20 70 CFIDMO COc1ccc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000217950151 382788290 /nfs/dbraw/zinc/78/82/90/382788290.db2.gz KTXBHTYRQIVOPO-COPLHBTASA-N 1 1 266.360 2.975 20 70 CFIDMO C[N@@H+]1CCC[C@H]1CNCc1nc(-c2ccccc2)cs1 ZINC000218235912 382789946 /nfs/dbraw/zinc/78/99/46/382789946.db2.gz FFYAVBPYSGCKLN-AWEZNQCLSA-N 1 1 287.432 2.994 20 70 CFIDMO C[N@H+]1CCC[C@H]1CNCc1nc(-c2ccccc2)cs1 ZINC000218235912 382789948 /nfs/dbraw/zinc/78/99/48/382789948.db2.gz FFYAVBPYSGCKLN-AWEZNQCLSA-N 1 1 287.432 2.994 20 70 CFIDMO Cc1ccccc1OCC[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000218763723 393758254 /nfs/dbraw/zinc/75/82/54/393758254.db2.gz BGEHAYUHZQALNM-SFHVURJKSA-N 1 1 299.414 2.909 20 70 CFIDMO Cc1ccccc1OCC[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000218763739 393758277 /nfs/dbraw/zinc/75/82/77/393758277.db2.gz BGEHAYUHZQALNM-GOSISDBHSA-N 1 1 299.414 2.909 20 70 CFIDMO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)N1CCc2ccccc21 ZINC000159904205 278209771 /nfs/dbraw/zinc/20/97/71/278209771.db2.gz BWALXUPBBQXJRV-ZMSDIMECSA-N 1 1 287.451 2.510 20 70 CFIDMO CCCC[N@@H+](C)CCNC(=O)N[C@@H](CC)c1nccs1 ZINC000159812502 322328818 /nfs/dbraw/zinc/32/88/18/322328818.db2.gz WMCPLSLJUDPJNO-LBPRGKRZSA-N 1 1 298.456 2.625 20 70 CFIDMO CC(C)[N@H+](CCc1nccs1)Cc1ccon1 ZINC000159910160 322330093 /nfs/dbraw/zinc/33/00/93/322330093.db2.gz LQCZRQBRVNGZDK-UHFFFAOYSA-N 1 1 251.355 2.584 20 70 CFIDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccon1 ZINC000159910160 322330096 /nfs/dbraw/zinc/33/00/96/322330096.db2.gz LQCZRQBRVNGZDK-UHFFFAOYSA-N 1 1 251.355 2.584 20 70 CFIDMO CC[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)Oc1ccccc1F ZINC000160316747 322336089 /nfs/dbraw/zinc/33/60/89/322336089.db2.gz JEUCTSQHQOCOCB-LZWOXQAQSA-N 1 1 294.414 2.913 20 70 CFIDMO CC(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000160348017 322337047 /nfs/dbraw/zinc/33/70/47/322337047.db2.gz WIVOHFCTPANSLF-MRXNPFEDSA-N 1 1 290.407 2.561 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)C1CCC(C)CC1 ZINC000160560979 322339723 /nfs/dbraw/zinc/33/97/23/322339723.db2.gz SLFCRSZZQLPQAT-UHFFFAOYSA-N 1 1 275.458 2.710 20 70 CFIDMO Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000160566232 322339739 /nfs/dbraw/zinc/33/97/39/322339739.db2.gz DGWWCBSKPAKLAS-UHFFFAOYSA-N 1 1 267.376 2.712 20 70 CFIDMO CN(C(=O)C1CCC(C)(C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000160678774 322341212 /nfs/dbraw/zinc/34/12/12/322341212.db2.gz DHUSONYMSBPGGT-CQSZACIVSA-N 1 1 266.429 2.755 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000160795203 322342778 /nfs/dbraw/zinc/34/27/78/322342778.db2.gz JWLSDGDIUFPGND-KBPBESRZSA-N 1 1 275.458 2.710 20 70 CFIDMO C[C@@H]1C[N@H+](Cc2cnc3ccccn23)C[C@H](C)S1 ZINC000160814660 322343414 /nfs/dbraw/zinc/34/34/14/322343414.db2.gz XHRXGPQSFMRVHM-TXEJJXNPSA-N 1 1 261.394 2.660 20 70 CFIDMO CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160874563 322344332 /nfs/dbraw/zinc/34/43/32/322344332.db2.gz SJPJKMXIBRZJBL-ZDUSSCGKSA-N 1 1 281.444 2.881 20 70 CFIDMO Cn1cnnc1C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000160839410 322344480 /nfs/dbraw/zinc/34/44/80/322344480.db2.gz ORHQHHZSDAXMOM-ZDUSSCGKSA-N 1 1 290.798 2.676 20 70 CFIDMO Cn1cnnc1C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000160839410 322344481 /nfs/dbraw/zinc/34/44/81/322344481.db2.gz ORHQHHZSDAXMOM-ZDUSSCGKSA-N 1 1 290.798 2.676 20 70 CFIDMO CSc1ccc(C[N@H+](C)Cc2ccnn2C)cc1 ZINC000160912919 322344680 /nfs/dbraw/zinc/34/46/80/322344680.db2.gz BLBUTPYBXJFFFW-UHFFFAOYSA-N 1 1 261.394 2.774 20 70 CFIDMO CSc1ccc(C[N@@H+](C)Cc2ccnn2C)cc1 ZINC000160912919 322344683 /nfs/dbraw/zinc/34/46/83/322344683.db2.gz BLBUTPYBXJFFFW-UHFFFAOYSA-N 1 1 261.394 2.774 20 70 CFIDMO C[C@H](CNC(=O)NC1(C)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000161118875 322347552 /nfs/dbraw/zinc/34/75/52/322347552.db2.gz ZYNIUCWSKTUYCD-CQSZACIVSA-N 1 1 289.423 2.749 20 70 CFIDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)s1 ZINC000161253927 322349439 /nfs/dbraw/zinc/34/94/39/322349439.db2.gz RISWUFFRRVKLHC-ZDUSSCGKSA-N 1 1 267.394 2.974 20 70 CFIDMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C)s1 ZINC000161253927 322349441 /nfs/dbraw/zinc/34/94/41/322349441.db2.gz RISWUFFRRVKLHC-ZDUSSCGKSA-N 1 1 267.394 2.974 20 70 CFIDMO CCc1nc2c(s1)[C@@H](NC1CC[NH+](C)CC1)CCC2 ZINC000161476699 322352625 /nfs/dbraw/zinc/35/26/25/322352625.db2.gz TYBKLXUZTOKXPB-LBPRGKRZSA-N 1 1 279.453 2.767 20 70 CFIDMO CC(C)(C)c1cnc(C[N@@H+]2CCCSCC2)o1 ZINC000161490147 519065593 /nfs/dbraw/zinc/06/55/93/519065593.db2.gz XKKJTSMVSZFQAK-UHFFFAOYSA-N 1 1 254.399 2.911 20 70 CFIDMO CC(C)(C)c1cnc(C[N@H+]2CCCSCC2)o1 ZINC000161490147 519065599 /nfs/dbraw/zinc/06/55/99/519065599.db2.gz XKKJTSMVSZFQAK-UHFFFAOYSA-N 1 1 254.399 2.911 20 70 CFIDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cnc3ccccn13)C2 ZINC000160917598 519698785 /nfs/dbraw/zinc/69/87/85/519698785.db2.gz RHJZAEHGLZIKRZ-JKSUJKDBSA-N 1 1 298.434 2.781 20 70 CFIDMO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccco2)c1 ZINC000160188833 519899229 /nfs/dbraw/zinc/89/92/29/519899229.db2.gz OTQOSFQIXALGFB-GFCCVEGCSA-N 1 1 272.348 2.880 20 70 CFIDMO CCOCC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159555250 519908997 /nfs/dbraw/zinc/90/89/97/519908997.db2.gz MZLRVPQSQNXTIA-UHFFFAOYSA-N 1 1 298.471 2.630 20 70 CFIDMO CCOc1ccc(CNCC[N@@H+](C)[C@H](C)CC)cc1OC ZINC000217385268 521003416 /nfs/dbraw/zinc/00/34/16/521003416.db2.gz BUECILNWKWZRKQ-CQSZACIVSA-N 1 1 294.439 2.914 20 70 CFIDMO CCOc1ccc(C[NH2+]CCN(C)[C@H](C)CC)cc1OC ZINC000217385268 521003427 /nfs/dbraw/zinc/00/34/27/521003427.db2.gz BUECILNWKWZRKQ-CQSZACIVSA-N 1 1 294.439 2.914 20 70 CFIDMO CCCN(CC1CC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160807600 521621259 /nfs/dbraw/zinc/62/12/59/521621259.db2.gz HXCUAMYZISXFQY-OAHLLOKOSA-N 1 1 293.455 2.835 20 70 CFIDMO CCOCCC1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCC1 ZINC000159614211 521689244 /nfs/dbraw/zinc/68/92/44/521689244.db2.gz GSNLAWXOGWPXQA-OAHLLOKOSA-N 1 1 296.455 2.574 20 70 CFIDMO CCOCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000160462252 521706734 /nfs/dbraw/zinc/70/67/34/521706734.db2.gz YAVVPTYMCWWCSN-AWEZNQCLSA-N 1 1 277.364 2.979 20 70 CFIDMO CC[C@H]1C[N@@H+](Cc2c(C)nc3ccccn32)CCS1 ZINC000160883847 523285633 /nfs/dbraw/zinc/28/56/33/523285633.db2.gz GKBAUUOHISBUPC-ZDUSSCGKSA-N 1 1 275.421 2.970 20 70 CFIDMO C[C@H](CCC1CCCCC1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000160913792 524135161 /nfs/dbraw/zinc/13/51/61/524135161.db2.gz FWWGWSUTEURFMA-DGCLKSJQSA-N 1 1 270.442 2.514 20 70 CFIDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2)n1 ZINC000159810083 524895636 /nfs/dbraw/zinc/89/56/36/524895636.db2.gz ZPNCZNSTHAAPGG-QGZVFWFLSA-N 1 1 295.386 2.826 20 70 CFIDMO C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CCN1C ZINC000159748879 525264657 /nfs/dbraw/zinc/26/46/57/525264657.db2.gz ZTNZXYILJZQUFA-CJNGLKHVSA-N 1 1 264.388 2.831 20 70 CFIDMO CSCC[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000160275638 525495783 /nfs/dbraw/zinc/49/57/83/525495783.db2.gz FQCGBLYWJOTDBM-UHFFFAOYSA-N 1 1 270.417 2.552 20 70 CFIDMO CSCCN(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000160275638 525495787 /nfs/dbraw/zinc/49/57/87/525495787.db2.gz FQCGBLYWJOTDBM-UHFFFAOYSA-N 1 1 270.417 2.552 20 70 CFIDMO CSCCN(C)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000160275638 525495798 /nfs/dbraw/zinc/49/57/98/525495798.db2.gz FQCGBLYWJOTDBM-UHFFFAOYSA-N 1 1 270.417 2.552 20 70 CFIDMO Cc1ccc(C(=O)CC[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000160092145 526042785 /nfs/dbraw/zinc/04/27/85/526042785.db2.gz JMQPFDBJTIZJPW-UHFFFAOYSA-N 1 1 298.390 2.566 20 70 CFIDMO c1ccc2c(c1)ncnc2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217362301 526514852 /nfs/dbraw/zinc/51/48/52/526514852.db2.gz XUHDIVSSEFFKHS-CABCVRRESA-N 1 1 268.364 2.669 20 70 CFIDMO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159504654 528422093 /nfs/dbraw/zinc/42/20/93/528422093.db2.gz JIZXNCVGTNDZRO-VHSXEESVSA-N 1 1 270.323 2.530 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)NCC2(CC)CCCC2)CC1 ZINC000159990531 529022628 /nfs/dbraw/zinc/02/26/28/529022628.db2.gz BVFNREDIZKHIGW-UHFFFAOYSA-N 1 1 281.444 2.694 20 70 CFIDMO CC(C)[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160625397 348019218 /nfs/dbraw/zinc/01/92/18/348019218.db2.gz WQARAVSITYZTDG-HOTGVXAUSA-N 1 1 293.455 2.691 20 70 CFIDMO Cc1ccc2c(c1)N(C(=O)N[C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000160652378 348019727 /nfs/dbraw/zinc/01/97/27/348019727.db2.gz KBAKYBAQYYUAGO-INIZCTEOSA-N 1 1 299.418 2.551 20 70 CFIDMO CC[N@@H+](CCN[C@H]1CCCc2cccnc21)C1CC1 ZINC000217482868 539644311 /nfs/dbraw/zinc/64/43/11/539644311.db2.gz BCHYFTQEEKOWSW-HNNXBMFYSA-N 1 1 259.397 2.533 20 70 CFIDMO CCN(CC[NH2+][C@H]1CCCc2cccnc21)C1CC1 ZINC000217482868 539644315 /nfs/dbraw/zinc/64/43/15/539644315.db2.gz BCHYFTQEEKOWSW-HNNXBMFYSA-N 1 1 259.397 2.533 20 70 CFIDMO Brc1c[nH+]ccc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159866339 540663570 /nfs/dbraw/zinc/66/35/70/540663570.db2.gz ORWAGTQQZFSWNG-ONOSFVFSSA-N 1 1 269.142 2.576 20 70 CFIDMO CCCn1nccc1CNCCC[N@H+]1CCCC[C@@H]1C ZINC000159962039 540666386 /nfs/dbraw/zinc/66/63/86/540666386.db2.gz HINSGKPYCSMEJV-HNNXBMFYSA-N 1 1 278.444 2.647 20 70 CFIDMO O=C(Cn1c[nH+]c2c1CCCC2)c1ccccc1F ZINC000216890472 541015096 /nfs/dbraw/zinc/01/50/96/541015096.db2.gz FHFQIGNUQBVPNW-UHFFFAOYSA-N 1 1 258.296 2.784 20 70 CFIDMO CC[N@@H+](CCCCS(C)(=O)=O)Cc1ccccc1C ZINC000161428486 541630288 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CCC[C@H]1CN(C(=O)C(C)(CC)CC)CC[N@H+]1CCOC ZINC000159407434 539825747 /nfs/dbraw/zinc/82/57/47/539825747.db2.gz FJYABNMHUXVZNK-HNNXBMFYSA-N 1 1 298.471 2.772 20 70 CFIDMO CC(C)[N@H+](CCc1nccs1)Cc1nnc(C2CC2)o1 ZINC000159808193 539826395 /nfs/dbraw/zinc/82/63/95/539826395.db2.gz JNIMGRFAOJOPGP-UHFFFAOYSA-N 1 1 292.408 2.857 20 70 CFIDMO CC(C)[N@@H+](CCc1nccs1)Cc1nnc(C2CC2)o1 ZINC000159808193 539826398 /nfs/dbraw/zinc/82/63/98/539826398.db2.gz JNIMGRFAOJOPGP-UHFFFAOYSA-N 1 1 292.408 2.857 20 70 CFIDMO CCCn1nccc1C[NH2+]Cc1cccnc1OC(C)C ZINC000160116116 540668456 /nfs/dbraw/zinc/66/84/56/540668456.db2.gz UMUYQUCRWJMLCO-UHFFFAOYSA-N 1 1 288.395 2.765 20 70 CFIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1coc2ccccc12 ZINC000159551032 540999602 /nfs/dbraw/zinc/99/96/02/540999602.db2.gz LUSBFYHXWBUHTD-NWDGAFQWSA-N 1 1 272.348 2.519 20 70 CFIDMO C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160827128 541480171 /nfs/dbraw/zinc/48/01/71/541480171.db2.gz BGEVWIVFLMLJSF-KOLCDFICSA-N 1 1 293.392 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382788488 /nfs/dbraw/zinc/78/84/88/382788488.db2.gz XTZAVAASVPORRW-GRDNDAEWSA-N 1 1 276.424 2.556 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000159857871 285213268 /nfs/dbraw/zinc/21/32/68/285213268.db2.gz WYDLMOAISLPJNV-SOUVJXGZSA-N 1 1 281.444 2.548 20 70 CFIDMO C[C@H]1C[N@H+](C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)CO1 ZINC000216918490 393755921 /nfs/dbraw/zinc/75/59/21/393755921.db2.gz DALQTOVKWBGTAV-SGMGOOAPSA-N 1 1 275.348 2.575 20 70 CFIDMO C[C@H]1C[N@@H+](C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)CO1 ZINC000216918490 393755925 /nfs/dbraw/zinc/75/59/25/393755925.db2.gz DALQTOVKWBGTAV-SGMGOOAPSA-N 1 1 275.348 2.575 20 70 CFIDMO Cc1cc(C)cc(CC[NH2+][C@H]2CCN(C)C[C@@H]2C)c1 ZINC000159476864 322323566 /nfs/dbraw/zinc/32/35/66/322323566.db2.gz UXIDZJVCFPPLTA-RDJZCZTQSA-N 1 1 260.425 2.776 20 70 CFIDMO CC1CCC(C[N@@H+](C)C[C@H](O)C(F)(F)F)CC1 ZINC000159558453 322324015 /nfs/dbraw/zinc/32/40/15/322324015.db2.gz VUNDZZOOQLXZHL-ILDUYXDCSA-N 1 1 253.308 2.668 20 70 CFIDMO 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IDLBDDNBOBRTMP-BPUTZDHNSA-N 1 1 258.409 2.789 20 70 CFIDMO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1cnn(C)c1 ZINC000160403343 525374655 /nfs/dbraw/zinc/37/46/55/525374655.db2.gz RFVJDYOXCIGTAY-BBRMVZONSA-N 1 1 278.444 2.581 20 70 CFIDMO CSCC[C@H](C)[N@@H+](C)Cc1cnc2ccccn12 ZINC000160508097 525564904 /nfs/dbraw/zinc/56/49/04/525564904.db2.gz HDMPGXQJDMWHLS-LBPRGKRZSA-N 1 1 263.410 2.908 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)NCCC2CCCCC2)CC1 ZINC000159649523 529023599 /nfs/dbraw/zinc/02/35/99/529023599.db2.gz WPIKZEFQMJVRLR-UHFFFAOYSA-N 1 1 281.444 2.694 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)NC[C@H]2CCC[C@H](C)C2)CC1 ZINC000159742074 529027092 /nfs/dbraw/zinc/02/70/92/529027092.db2.gz OUVMKQHFGNWROG-GJZGRUSLSA-N 1 1 281.444 2.550 20 70 CFIDMO Fc1cc(F)cc(C[NH2+]CCN2CCCCCC2)c1 ZINC000159804082 232245667 /nfs/dbraw/zinc/24/56/67/232245667.db2.gz FZGYHYDCRRXEOZ-UHFFFAOYSA-N 1 1 268.351 2.930 20 70 CFIDMO c1ccc(N[C@@H]2CC[N@H+](CCOCC3CC3)C2)cc1 ZINC000160277695 232247164 /nfs/dbraw/zinc/24/71/64/232247164.db2.gz RGAWVLYJKBGUBQ-MRXNPFEDSA-N 1 1 260.381 2.599 20 70 CFIDMO CCCCCNC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160551616 348018721 /nfs/dbraw/zinc/01/87/21/348018721.db2.gz BGBAEYUMPNVVTL-KBPBESRZSA-N 1 1 252.402 2.557 20 70 CFIDMO CC(C)[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160625267 348018819 /nfs/dbraw/zinc/01/88/19/348018819.db2.gz WQARAVSITYZTDG-HZPDHXFCSA-N 1 1 293.455 2.691 20 70 CFIDMO Cc1[nH+]c2c(n1Cc1nccn1C(F)F)CCCC2 ZINC000160731700 348020456 /nfs/dbraw/zinc/02/04/56/348020456.db2.gz ZZQWFUBTJUJQND-UHFFFAOYSA-N 1 1 266.295 2.710 20 70 CFIDMO CCN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H](C)C(C)C ZINC000160758243 348020723 /nfs/dbraw/zinc/02/07/23/348020723.db2.gz MPMATAHIOSAYOW-UKRRQHHQSA-N 1 1 281.444 2.547 20 70 CFIDMO COCC[N@H+](CCCc1ccccc1)Cc1nccn1C ZINC000160865255 348021353 /nfs/dbraw/zinc/02/13/53/348021353.db2.gz MDJSZGPTBCXZKM-UHFFFAOYSA-N 1 1 287.407 2.501 20 70 CFIDMO COCC[N@@H+](CCCc1ccccc1)Cc1nccn1C ZINC000160865255 348021357 /nfs/dbraw/zinc/02/13/57/348021357.db2.gz MDJSZGPTBCXZKM-UHFFFAOYSA-N 1 1 287.407 2.501 20 70 CFIDMO CCCn1nccc1C[NH2+]C[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000160113132 540668507 /nfs/dbraw/zinc/66/85/07/540668507.db2.gz FCZKKDZPKGZXHY-DOTOQJQBSA-N 1 1 292.471 2.893 20 70 CFIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1coc2ccccc12 ZINC000159550809 540998680 /nfs/dbraw/zinc/99/86/80/540998680.db2.gz LUSBFYHXWBUHTD-RYUDHWBXSA-N 1 1 272.348 2.519 20 70 CFIDMO COc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000160038912 541020791 /nfs/dbraw/zinc/02/07/91/541020791.db2.gz LOSCXLQPYVFLMR-JQWIXIFHSA-N 1 1 252.333 2.729 20 70 CFIDMO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000160100509 378748644 /nfs/dbraw/zinc/74/86/44/378748644.db2.gz MLTXYKXZSJLOCB-NEPJUHHUSA-N 1 1 296.361 2.526 20 70 CFIDMO C[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159374036 378705713 /nfs/dbraw/zinc/70/57/13/378705713.db2.gz FZVMQUOEPXLERB-ZJUUUORDSA-N 1 1 295.770 2.764 20 70 CFIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159374036 378705715 /nfs/dbraw/zinc/70/57/15/378705715.db2.gz FZVMQUOEPXLERB-ZJUUUORDSA-N 1 1 295.770 2.764 20 70 CFIDMO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159436702 378708655 /nfs/dbraw/zinc/70/86/55/378708655.db2.gz VKGLFPZOSJTHKG-MNOVXSKESA-N 1 1 284.350 2.871 20 70 CFIDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC000159547336 378715185 /nfs/dbraw/zinc/71/51/85/378715185.db2.gz RBDAQUDCXRGREH-CQSZACIVSA-N 1 1 297.402 2.615 20 70 CFIDMO Cc1nnc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000160214373 378755734 /nfs/dbraw/zinc/75/57/34/378755734.db2.gz BOVKWURUPULDSO-SMDDNHRTSA-N 1 1 288.420 2.779 20 70 CFIDMO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC000159778504 378729887 /nfs/dbraw/zinc/72/98/87/378729887.db2.gz UHDPHFMQNPAVRL-RDBSUJKOSA-N 1 1 293.411 2.570 20 70 CFIDMO Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@@H]3CO)cc2)n1 ZINC000159804714 378731500 /nfs/dbraw/zinc/73/15/00/378731500.db2.gz PKSIBNCFTKAGNZ-GOSISDBHSA-N 1 1 299.418 2.836 20 70 CFIDMO C[C@@H](O)C[N@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000159807553 378732480 /nfs/dbraw/zinc/73/24/80/378732480.db2.gz KMHXXPIXVSABPS-SECBINFHSA-N 1 1 298.358 2.901 20 70 CFIDMO C[C@@H](O)C[N@@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000159807553 378732487 /nfs/dbraw/zinc/73/24/87/378732487.db2.gz KMHXXPIXVSABPS-SECBINFHSA-N 1 1 298.358 2.901 20 70 CFIDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCn2ccnc2)C1 ZINC000159827129 378732558 /nfs/dbraw/zinc/73/25/58/378732558.db2.gz ZCPIFZVDKIOGML-QGZVFWFLSA-N 1 1 269.392 2.937 20 70 CFIDMO c1cn(CC[N@H+](Cc2ccccc2)CC2CCOCC2)cn1 ZINC000159815263 378732620 /nfs/dbraw/zinc/73/26/20/378732620.db2.gz IPLBMJJNKAELCG-UHFFFAOYSA-N 1 1 299.418 2.812 20 70 CFIDMO CCN(CC)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000159848361 378734332 /nfs/dbraw/zinc/73/43/32/378734332.db2.gz MMDAROKOPLTGSQ-GOEBONIOSA-N 1 1 289.423 2.701 20 70 CFIDMO CCc1cc(=O)[nH]c(C[N@@H+]([C@@H](C)C2CC2)C2CC2)n1 ZINC000160791219 378798744 /nfs/dbraw/zinc/79/87/44/378798744.db2.gz RDTHENPRNJMOKD-JTQLQIEISA-N 1 1 261.369 2.508 20 70 CFIDMO C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2)CC[N@@H+]1C ZINC000160251210 378759088 /nfs/dbraw/zinc/75/90/88/378759088.db2.gz IDSVQEDFPVHUIS-OCCSQVGLSA-N 1 1 282.815 2.791 20 70 CFIDMO C[C@@H]1C[C@@H](NCCOc2cccc(Cl)c2)CC[N@@H+]1C ZINC000160251210 378759101 /nfs/dbraw/zinc/75/91/01/378759101.db2.gz IDSVQEDFPVHUIS-OCCSQVGLSA-N 1 1 282.815 2.791 20 70 CFIDMO C[C@@H]1C[C@@H](NCCOc2cccc(Cl)c2)CC[N@H+]1C ZINC000160251210 378759108 /nfs/dbraw/zinc/75/91/08/378759108.db2.gz IDSVQEDFPVHUIS-OCCSQVGLSA-N 1 1 282.815 2.791 20 70 CFIDMO Cc1nccc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000160867333 378806316 /nfs/dbraw/zinc/80/63/16/378806316.db2.gz RNZKLYKKNXOYIK-XJKSGUPXSA-N 1 1 282.391 2.860 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cnn(-c2ccccc2)c1 ZINC000217399051 382786571 /nfs/dbraw/zinc/78/65/71/382786571.db2.gz SCPGOFBAWNDFIN-OAHLLOKOSA-N 1 1 286.423 2.692 20 70 CFIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000217399051 382786573 /nfs/dbraw/zinc/78/65/73/382786573.db2.gz SCPGOFBAWNDFIN-OAHLLOKOSA-N 1 1 286.423 2.692 20 70 CFIDMO COCc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000217985013 382788281 /nfs/dbraw/zinc/78/82/81/382788281.db2.gz JNSDSQBYPIUHND-WOSRLPQWSA-N 1 1 262.397 2.974 20 70 CFIDMO CC[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000216823383 393755775 /nfs/dbraw/zinc/75/57/75/393755775.db2.gz GZWIOFSXYDSLCC-CABCVRRESA-N 1 1 281.444 2.548 20 70 CFIDMO Cc1cccc(OCC[N@H+](C)C[C@@H](O)Cc2ccccc2)c1 ZINC000218763797 393758470 /nfs/dbraw/zinc/75/84/70/393758470.db2.gz NFFRCLXXYQUTLR-SFHVURJKSA-N 1 1 299.414 2.909 20 70 CFIDMO Cc1ccc(OCC[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000218763292 393758587 /nfs/dbraw/zinc/75/85/87/393758587.db2.gz YFDPYQCUICPBTQ-SFHVURJKSA-N 1 1 299.414 2.909 20 70 CFIDMO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159683731 394365735 /nfs/dbraw/zinc/36/57/35/394365735.db2.gz AZYBOBZZGIEEOF-CABCVRRESA-N 1 1 281.444 2.692 20 70 CFIDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc2cc(F)ccc2o1 ZINC000160426129 274334819 /nfs/dbraw/zinc/33/48/19/274334819.db2.gz HUGDUHCZGZGNIQ-MFKMUULPSA-N 1 1 277.343 2.743 20 70 CFIDMO COc1ccc2c(c1)[C@@H](NC1CC[NH+](C)CC1)CCCO2 ZINC000161425907 295270755 /nfs/dbraw/zinc/27/07/55/295270755.db2.gz MXAMYTHVVDNTJU-INIZCTEOSA-N 1 1 290.407 2.593 20 70 CFIDMO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cccc2cccnc21 ZINC000159450974 322322684 /nfs/dbraw/zinc/32/26/84/322322684.db2.gz CAOVVNCVIPSVTL-WFASDCNBSA-N 1 1 255.365 2.546 20 70 CFIDMO CC[C@@H](OC1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000159578570 322324451 /nfs/dbraw/zinc/32/44/51/322324451.db2.gz MEZQOEXTHCUHFE-GOEBONIOSA-N 1 1 296.455 2.715 20 70 CFIDMO CC[C@H](OC1CCCCC1)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000159578709 322324800 /nfs/dbraw/zinc/32/48/00/322324800.db2.gz MEZQOEXTHCUHFE-ZBFHGGJFSA-N 1 1 296.455 2.715 20 70 CFIDMO CCCn1c(C)nnc1C[NH+]1CCC(C(C)C)CC1 ZINC000159680189 322326263 /nfs/dbraw/zinc/32/62/63/322326263.db2.gz XKQYOGOYDSPYMB-UHFFFAOYSA-N 1 1 264.417 2.865 20 70 CFIDMO Cc1nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)nc2ccccc12 ZINC000159760311 322328197 /nfs/dbraw/zinc/32/81/97/322328197.db2.gz IKIXNCSQIIMTOE-BBRMVZONSA-N 1 1 285.391 2.531 20 70 CFIDMO Cc1nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)nc2ccccc12 ZINC000159760311 322328200 /nfs/dbraw/zinc/32/82/00/322328200.db2.gz IKIXNCSQIIMTOE-BBRMVZONSA-N 1 1 285.391 2.531 20 70 CFIDMO C[C@H](CSCC[NH+]1CCOCC1)c1ccccc1 ZINC000160033346 322332040 /nfs/dbraw/zinc/33/20/40/322332040.db2.gz NBTJVNJXOIQETI-CQSZACIVSA-N 1 1 265.422 2.856 20 70 CFIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCC(C)(C)C ZINC000160257121 322335409 /nfs/dbraw/zinc/33/54/09/322335409.db2.gz KJAMDGLVYMFIMJ-UHFFFAOYSA-N 1 1 298.471 2.630 20 70 CFIDMO CCc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C(N)=O)o2)cc1 ZINC000160335877 322336175 /nfs/dbraw/zinc/33/61/75/322336175.db2.gz WQWWDBBFXIUQHT-INIZCTEOSA-N 1 1 298.386 2.959 20 70 CFIDMO CCc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C(N)=O)o2)cc1 ZINC000160335877 322336179 /nfs/dbraw/zinc/33/61/79/322336179.db2.gz WQWWDBBFXIUQHT-INIZCTEOSA-N 1 1 298.386 2.959 20 70 CFIDMO CCc1ncc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000160405351 322337544 /nfs/dbraw/zinc/33/75/44/322337544.db2.gz NDGATVGAEWUAFD-GFCCVEGCSA-N 1 1 295.452 2.556 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000160756407 322342296 /nfs/dbraw/zinc/34/22/96/322342296.db2.gz WCHGHBCJHXZRRT-ZIAGYGMSSA-N 1 1 275.458 2.710 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000160795355 322342753 /nfs/dbraw/zinc/34/27/53/322342753.db2.gz JWLSDGDIUFPGND-ZIAGYGMSSA-N 1 1 275.458 2.710 20 70 CFIDMO CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000160820036 322343360 /nfs/dbraw/zinc/34/33/60/322343360.db2.gz MKZCKFUUCLKPAA-CQSZACIVSA-N 1 1 293.455 2.977 20 70 CFIDMO Cn1cnnc1C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000160827494 322343461 /nfs/dbraw/zinc/34/34/61/322343461.db2.gz BBIXEJPFJHECDO-CQSZACIVSA-N 1 1 258.369 2.692 20 70 CFIDMO Cn1cnnc1C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000160812706 322343584 /nfs/dbraw/zinc/34/35/84/322343584.db2.gz CUAYDZVMFBQNDX-HNNXBMFYSA-N 1 1 270.380 2.932 20 70 CFIDMO Cn1cnnc1C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000160812706 322343585 /nfs/dbraw/zinc/34/35/85/322343585.db2.gz CUAYDZVMFBQNDX-HNNXBMFYSA-N 1 1 270.380 2.932 20 70 CFIDMO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1 ZINC000160934197 322345520 /nfs/dbraw/zinc/34/55/20/322345520.db2.gz HNVIHCQVDGLBDD-GDBMZVCRSA-N 1 1 275.392 2.661 20 70 CFIDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000159875313 519896108 /nfs/dbraw/zinc/89/61/08/519896108.db2.gz ZJXUMYHREAKWPM-HNNXBMFYSA-N 1 1 266.429 2.805 20 70 CFIDMO CC(C)n1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160774574 520003152 /nfs/dbraw/zinc/00/31/52/520003152.db2.gz UARCNRRWUGPZRO-GDBMZVCRSA-N 1 1 277.412 2.591 20 70 CFIDMO CC(C)n1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160774574 520003160 /nfs/dbraw/zinc/00/31/60/520003160.db2.gz UARCNRRWUGPZRO-GDBMZVCRSA-N 1 1 277.412 2.591 20 70 CFIDMO CCC(CC)c1cc(C(=O)N2CC[NH+](C(C)C)CC2)on1 ZINC000160050230 521628692 /nfs/dbraw/zinc/62/86/92/521628692.db2.gz VEQUYYJFCKMCGS-UHFFFAOYSA-N 1 1 293.411 2.744 20 70 CFIDMO CCn1cc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cn1 ZINC000160852033 523455310 /nfs/dbraw/zinc/45/53/10/523455310.db2.gz DARIWUUBTVDLBL-CQSZACIVSA-N 1 1 286.423 2.815 20 70 CFIDMO CCc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217646008 523947194 /nfs/dbraw/zinc/94/71/94/523947194.db2.gz ZXEXMQCXIRROAI-IRXDYDNUSA-N 1 1 258.409 2.965 20 70 CFIDMO CCc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217646008 523947199 /nfs/dbraw/zinc/94/71/99/523947199.db2.gz ZXEXMQCXIRROAI-IRXDYDNUSA-N 1 1 258.409 2.965 20 70 CFIDMO COc1ccccc1-c1nnc(C[N@@H+](C)[C@@H](C)C2CC2)o1 ZINC000159652974 524286147 /nfs/dbraw/zinc/28/61/47/524286147.db2.gz LURGHBPWFSSSGB-NSHDSACASA-N 1 1 287.363 2.976 20 70 CFIDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 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CCc1nnc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)[nH]1 ZINC000160420110 378769818 /nfs/dbraw/zinc/76/98/18/378769818.db2.gz JXLYREHVHSLDIT-LBPRGKRZSA-N 1 1 258.369 2.835 20 70 CFIDMO COCC[N@@H+](Cc1ccn(C)c1)Cc1ccccc1 ZINC000160444145 378772310 /nfs/dbraw/zinc/77/23/10/378772310.db2.gz GKOSHJRKUHMDDG-UHFFFAOYSA-N 1 1 258.365 2.674 20 70 CFIDMO Cc1ccccc1C[N@@H+](C)Cc1cc(C(N)=O)cs1 ZINC000160528195 378778595 /nfs/dbraw/zinc/77/85/95/378778595.db2.gz YGEJSTAKCIUSPL-UHFFFAOYSA-N 1 1 274.389 2.787 20 70 CFIDMO CC[C@H](C)C[N@@H+](CC)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000160583660 378784289 /nfs/dbraw/zinc/78/42/89/378784289.db2.gz DLBRFPNKDLQGCS-FZMZJTMJSA-N 1 1 266.360 2.720 20 70 CFIDMO CC[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccc(F)cc1F ZINC000160700173 378791664 /nfs/dbraw/zinc/79/16/64/378791664.db2.gz CGAZTRNQDRXRSR-CQSZACIVSA-N 1 1 282.334 2.628 20 70 CFIDMO C[C@@H](CN[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC000160866182 378806139 /nfs/dbraw/zinc/80/61/39/378806139.db2.gz WMGHNYFKUHKADC-GJZGRUSLSA-N 1 1 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ZINC000159693418 524568361 /nfs/dbraw/zinc/56/83/61/524568361.db2.gz SLFYVPADPRUXJO-MWLCHTKSSA-N 1 1 284.762 2.565 20 70 CFIDMO Cc1cc(C[N@@H+](C)[C@H](CN)C2CC2)c2ccccc2n1 ZINC000159666879 524668846 /nfs/dbraw/zinc/66/88/46/524668846.db2.gz HNCMJSCHFOVCGJ-QGZVFWFLSA-N 1 1 269.392 2.712 20 70 CFIDMO Cc1cc(C[N@H+](C)[C@H](CN)C2CC2)c2ccccc2n1 ZINC000159666879 524668854 /nfs/dbraw/zinc/66/88/54/524668854.db2.gz HNCMJSCHFOVCGJ-QGZVFWFLSA-N 1 1 269.392 2.712 20 70 CFIDMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1O ZINC000159425750 524992143 /nfs/dbraw/zinc/99/21/43/524992143.db2.gz KRGUFMNNFMHFHE-MFKMUULPSA-N 1 1 273.298 2.908 20 70 CFIDMO C[C@@H](N[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000160071410 525634542 /nfs/dbraw/zinc/63/45/42/525634542.db2.gz LMVMKBVGASMFSA-GDBMZVCRSA-N 1 1 290.455 2.868 20 70 CFIDMO C[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1)c1cnn(C)c1 ZINC000160071410 525634549 /nfs/dbraw/zinc/63/45/49/525634549.db2.gz LMVMKBVGASMFSA-GDBMZVCRSA-N 1 1 290.455 2.868 20 70 CFIDMO Cc1ccc2cc(CN3CC[C@H]([NH3+])[C@@H](C)C3)ccc2n1 ZINC000218371357 526230049 /nfs/dbraw/zinc/23/00/49/526230049.db2.gz SYNGHXYJRWNRCP-LRDDRELGSA-N 1 1 269.392 2.712 20 70 CFIDMO CC(C)OCC[N@@H+](CCc1nccs1)C(C)C ZINC000159733071 527953780 /nfs/dbraw/zinc/95/37/80/527953780.db2.gz STALXQGOYXFHTK-UHFFFAOYSA-N 1 1 256.415 2.821 20 70 CFIDMO CC[N@H+]1CCCC[C@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159662125 529006600 /nfs/dbraw/zinc/00/66/00/529006600.db2.gz FTSVGOULPQHTLW-KRWDZBQOSA-N 1 1 299.418 2.701 20 70 CFIDMO CC[C@@](C)(O)C[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000161387173 529508178 /nfs/dbraw/zinc/50/81/78/529508178.db2.gz WUZJHPDTAJNJMK-CQSZACIVSA-N 1 1 268.426 2.615 20 70 CFIDMO CCN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000160641419 348019937 /nfs/dbraw/zinc/01/99/37/348019937.db2.gz TWESKKCYLQXWFF-HNNXBMFYSA-N 1 1 293.455 2.835 20 70 CFIDMO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC000159778771 188440868 /nfs/dbraw/zinc/44/08/68/188440868.db2.gz UHDPHFMQNPAVRL-MCIONIFRSA-N 1 1 293.411 2.570 20 70 CFIDMO C[N@@H+](C[C@@H](O)C1CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000160762293 541472289 /nfs/dbraw/zinc/47/22/89/541472289.db2.gz QXXASVXDLIPSKO-HZPDHXFCSA-N 1 1 263.356 2.906 20 70 CFIDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000160791314 284195049 /nfs/dbraw/zinc/19/50/49/284195049.db2.gz RNSAYQFAAVDZJD-AWEZNQCLSA-N 1 1 279.428 2.589 20 70 CFIDMO CC[N@H+]1CC[C@@H](NCc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160052047 378744867 /nfs/dbraw/zinc/74/48/67/378744867.db2.gz IWLXVRVJVJFNBD-GDBMZVCRSA-N 1 1 291.439 2.689 20 70 CFIDMO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159430559 378708695 /nfs/dbraw/zinc/70/86/95/378708695.db2.gz RWIKQGSMQWUCNM-WDEREUQCSA-N 1 1 284.350 2.920 20 70 CFIDMO Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000159455709 378710349 /nfs/dbraw/zinc/71/03/49/378710349.db2.gz MFPCZIWMXPCSGV-WBVHZDCISA-N 1 1 260.425 2.918 20 70 CFIDMO Cc1cc(C)cc(CC[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000159455709 378710354 /nfs/dbraw/zinc/71/03/54/378710354.db2.gz MFPCZIWMXPCSGV-WBVHZDCISA-N 1 1 260.425 2.918 20 70 CFIDMO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000159633307 378721294 /nfs/dbraw/zinc/72/12/94/378721294.db2.gz KCGJJHOOFMRJGW-ZDUSSCGKSA-N 1 1 270.380 2.855 20 70 CFIDMO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000159633431 378721482 /nfs/dbraw/zinc/72/14/82/378721482.db2.gz KCGJJHOOFMRJGW-CYBMUJFWSA-N 1 1 270.380 2.855 20 70 CFIDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC000159769793 378729117 /nfs/dbraw/zinc/72/91/17/378729117.db2.gz PRMAULQQNISJRA-STQMWFEESA-N 1 1 280.437 2.842 20 70 CFIDMO COc1ccc(C[N@@H+](C)Cc2c(C)n[nH]c2C)cc1 ZINC000159848174 378733911 /nfs/dbraw/zinc/73/39/11/378733911.db2.gz PMZLHRMZDYBDBU-UHFFFAOYSA-N 1 1 259.353 2.667 20 70 CFIDMO CCc1nnc(C[NH2+]C(C)(C)c2cccc(C)c2)[nH]1 ZINC000160449381 378773852 /nfs/dbraw/zinc/77/38/52/378773852.db2.gz JTUDVSPOEBLEII-UHFFFAOYSA-N 1 1 258.369 2.700 20 70 CFIDMO CC[C@@H](C)OCC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000160595386 378785004 /nfs/dbraw/zinc/78/50/04/378785004.db2.gz DGIQSFAGRVZZDY-CQSZACIVSA-N 1 1 292.423 2.570 20 70 CFIDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccccc2F)n1 ZINC000160726214 378792920 /nfs/dbraw/zinc/79/29/20/378792920.db2.gz JXLODFDAVLHBEQ-UHFFFAOYSA-N 1 1 260.312 2.867 20 70 CFIDMO COc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000160792512 378799074 /nfs/dbraw/zinc/79/90/74/378799074.db2.gz LXPJNFHYPDDURP-RHSMWYFYSA-N 1 1 293.382 2.961 20 70 CFIDMO CCC[N@@H+](CCO)Cc1cccc(OC)c1OC(F)F ZINC000161217664 378831201 /nfs/dbraw/zinc/83/12/01/378831201.db2.gz MNQMDRBOGHZYEE-UHFFFAOYSA-N 1 1 289.322 2.501 20 70 CFIDMO CC(C)c1cccc(NC(=O)C[NH+]2CCC(C)(O)CC2)c1 ZINC000161226129 378831653 /nfs/dbraw/zinc/83/16/53/378831653.db2.gz WUFVWPAKBAMGNC-UHFFFAOYSA-N 1 1 290.407 2.595 20 70 CFIDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1 ZINC000160899631 378808106 /nfs/dbraw/zinc/80/81/06/378808106.db2.gz JSXUGSBLJOXBGX-UHFFFAOYSA-N 1 1 272.352 2.746 20 70 CFIDMO C[C@H]1C[C@H](Nc2cnccn2)C[N@H+]1Cc1ccccc1 ZINC000160930574 378809497 /nfs/dbraw/zinc/80/94/97/378809497.db2.gz MSQYLGMPNVDXRE-ZFWWWQNUSA-N 1 1 268.364 2.552 20 70 CFIDMO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000160935459 378811525 /nfs/dbraw/zinc/81/15/25/378811525.db2.gz YLVWMUAELWDACN-LLVKDONJSA-N 1 1 298.814 2.914 20 70 CFIDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1O ZINC000161083680 378819520 /nfs/dbraw/zinc/81/95/20/378819520.db2.gz NMOUNGNSBHNARB-SJORKVTESA-N 1 1 285.391 2.608 20 70 CFIDMO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161080829 378820060 /nfs/dbraw/zinc/82/00/60/378820060.db2.gz KMINYZHSDWPGEN-KGLIPLIRSA-N 1 1 277.412 2.597 20 70 CFIDMO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161080829 378820066 /nfs/dbraw/zinc/82/00/66/378820066.db2.gz KMINYZHSDWPGEN-KGLIPLIRSA-N 1 1 277.412 2.597 20 70 CFIDMO COCC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000217246787 382786014 /nfs/dbraw/zinc/78/60/14/382786014.db2.gz BPBSNVAIMLPYDD-GFCCVEGCSA-N 1 1 284.197 2.885 20 70 CFIDMO c1cnc2c(c1)cccc2C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217632286 382787458 /nfs/dbraw/zinc/78/74/58/382787458.db2.gz WEROAEBXSYCOFV-IRXDYDNUSA-N 1 1 281.403 2.951 20 70 CFIDMO c1cnc2c(c1)cccc2C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217632286 382787464 /nfs/dbraw/zinc/78/74/64/382787464.db2.gz WEROAEBXSYCOFV-IRXDYDNUSA-N 1 1 281.403 2.951 20 70 CFIDMO COc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000217949999 382788372 /nfs/dbraw/zinc/78/83/72/382788372.db2.gz KTXBHTYRQIVOPO-MISXGVKJSA-N 1 1 266.360 2.975 20 70 CFIDMO C[C@@H](C1CC1)[N@@H+](Cc1cnnn1C)Cc1ccccc1 ZINC000159671758 394365798 /nfs/dbraw/zinc/36/57/98/394365798.db2.gz RENPIQBNCDAOCT-ZDUSSCGKSA-N 1 1 270.380 2.616 20 70 CFIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1nccs1 ZINC000160518824 394366385 /nfs/dbraw/zinc/36/63/85/394366385.db2.gz IPZYVIFFPYWYGZ-MNOVXSKESA-N 1 1 269.414 2.838 20 70 CFIDMO c1ccc2c(c1)CC[C@@]21C[N@H+](Cc2cccnc2)CCO1 ZINC000159440201 275069909 /nfs/dbraw/zinc/06/99/09/275069909.db2.gz NQYMFJYXZGURCB-GOSISDBHSA-N 1 1 280.371 2.756 20 70 CFIDMO c1ccc2c(c1)CC[C@@]21C[N@@H+](Cc2cccnc2)CCO1 ZINC000159440201 275069910 /nfs/dbraw/zinc/06/99/10/275069910.db2.gz NQYMFJYXZGURCB-GOSISDBHSA-N 1 1 280.371 2.756 20 70 CFIDMO CCOCCC[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000160034543 276316204 /nfs/dbraw/zinc/31/62/04/276316204.db2.gz HGJXRBNJRGINPP-HNNXBMFYSA-N 1 1 263.381 2.911 20 70 CFIDMO CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000161423832 276607907 /nfs/dbraw/zinc/60/79/07/276607907.db2.gz CLNQCFCPXZOYGL-ULQDDVLXSA-N 1 1 282.472 2.638 20 70 CFIDMO Cc1cc(C)c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1C ZINC000159502761 322323712 /nfs/dbraw/zinc/32/37/12/322323712.db2.gz ZQLBSCGMYGBMQZ-GJZGRUSLSA-N 1 1 274.408 2.698 20 70 CFIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)NC(C1CC1)C1CC1 ZINC000159579916 322324462 /nfs/dbraw/zinc/32/44/62/322324462.db2.gz ZVRHWJGUBFAGLP-WFASDCNBSA-N 1 1 276.424 2.556 20 70 CFIDMO CCc1cccc(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000159621869 322325060 /nfs/dbraw/zinc/32/50/60/322325060.db2.gz MHWVHRSSDOFNLL-CQSZACIVSA-N 1 1 299.418 2.749 20 70 CFIDMO Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159657423 322326098 /nfs/dbraw/zinc/32/60/98/322326098.db2.gz NURCLROFXNLJSW-IRXDYDNUSA-N 1 1 286.419 2.876 20 70 CFIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1cccs1 ZINC000159658007 322326519 /nfs/dbraw/zinc/32/65/19/322326519.db2.gz BLZOXSDDKTUGJO-JSGCOSHPSA-N 1 1 278.421 2.629 20 70 CFIDMO CCc1cccc(OCC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159724997 322327549 /nfs/dbraw/zinc/32/75/49/322327549.db2.gz XBIQCQFUHUWYGS-RDJZCZTQSA-N 1 1 277.408 2.721 20 70 CFIDMO CC(C)[C@@H](C)NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159767450 322327890 /nfs/dbraw/zinc/32/78/90/322327890.db2.gz JXYWURCIBHCNES-CYBMUJFWSA-N 1 1 297.468 2.557 20 70 CFIDMO CCC(C)(C)NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159791064 322328219 /nfs/dbraw/zinc/32/82/19/322328219.db2.gz VLLYBIUTVOLAOG-UHFFFAOYSA-N 1 1 297.468 2.701 20 70 CFIDMO C[C@@H](CSCC[NH+]1CCOCC1)c1ccccc1 ZINC000160033226 322331974 /nfs/dbraw/zinc/33/19/74/322331974.db2.gz NBTJVNJXOIQETI-AWEZNQCLSA-N 1 1 265.422 2.856 20 70 CFIDMO CC(C)C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000160245852 322335057 /nfs/dbraw/zinc/33/50/57/322335057.db2.gz RZSDLGJUTDZXFG-GJZGRUSLSA-N 1 1 283.460 2.698 20 70 CFIDMO Cc1cccc([C@H]2CCC[N@H+]2CCOC[C@@H]2CCCO2)n1 ZINC000160240166 322335330 /nfs/dbraw/zinc/33/53/30/322335330.db2.gz ULPWJKREONYUKF-DOTOQJQBSA-N 1 1 290.407 2.723 20 70 CFIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C=CCCC1 ZINC000160270948 322335793 /nfs/dbraw/zinc/33/57/93/322335793.db2.gz RLBSURUFCQVCJZ-LSDHHAIUSA-N 1 1 279.428 2.515 20 70 CFIDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000160362807 322336774 /nfs/dbraw/zinc/33/67/74/322336774.db2.gz IJVLLPSWLFTQNP-HNNXBMFYSA-N 1 1 286.400 2.865 20 70 CFIDMO CC[C@@]1(C)C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160401527 322337519 /nfs/dbraw/zinc/33/75/19/322337519.db2.gz OUHSNNQRNFVLOP-FMKPAKJESA-N 1 1 266.429 2.659 20 70 CFIDMO 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CFIDMO CCCn1nccc1C[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000159990205 540667088 /nfs/dbraw/zinc/66/70/88/540667088.db2.gz GUNSAHPQYRFHKN-MRXNPFEDSA-N 1 1 278.444 2.503 20 70 CFIDMO CCCn1nccc1C[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000159990063 540667105 /nfs/dbraw/zinc/66/71/05/540667105.db2.gz GUNSAHPQYRFHKN-INIZCTEOSA-N 1 1 278.444 2.503 20 70 CFIDMO C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160827000 541480273 /nfs/dbraw/zinc/48/02/73/541480273.db2.gz BGEVWIVFLMLJSF-ONGXEEELSA-N 1 1 293.392 2.562 20 70 CFIDMO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160827000 541480275 /nfs/dbraw/zinc/48/02/75/541480275.db2.gz BGEVWIVFLMLJSF-ONGXEEELSA-N 1 1 293.392 2.562 20 70 CFIDMO CC(C)[N@@H+](CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161309873 541583326 /nfs/dbraw/zinc/58/33/26/541583326.db2.gz NGQBZCMCOQUBHX-UHFFFAOYSA-N 1 1 283.437 2.722 20 70 CFIDMO CS(=O)(=O)CCCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000161503887 541663194 /nfs/dbraw/zinc/66/31/94/541663194.db2.gz SMKSCKHGGHBVSP-UHFFFAOYSA-N 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/nfs/dbraw/zinc/74/75/99/378747599.db2.gz GSMKIWLYLZYKAP-YCPHGPKFSA-N 1 1 291.439 2.687 20 70 CFIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000159372031 378704820 /nfs/dbraw/zinc/70/48/20/378704820.db2.gz FNZZRHVIFCORFC-NEPJUHHUSA-N 1 1 260.337 2.715 20 70 CFIDMO CC[N@H+](CCc1nccs1)CC(=O)Nc1ccccc1 ZINC000159435778 378708815 /nfs/dbraw/zinc/70/88/15/378708815.db2.gz MEECKOQYAFWRSP-UHFFFAOYSA-N 1 1 289.404 2.646 20 70 CFIDMO CC[N@@H+](CCc1nccs1)CC(=O)Nc1ccccc1 ZINC000159435778 378708819 /nfs/dbraw/zinc/70/88/19/378708819.db2.gz MEECKOQYAFWRSP-UHFFFAOYSA-N 1 1 289.404 2.646 20 70 CFIDMO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159436578 378709331 /nfs/dbraw/zinc/70/93/31/378709331.db2.gz VKGLFPZOSJTHKG-GHMZBOCLSA-N 1 1 284.350 2.871 20 70 CFIDMO CC[N@H+](CCc1nccs1)Cc1c(C)nn(C)c1Cl ZINC000159423120 378709458 /nfs/dbraw/zinc/70/94/58/378709458.db2.gz GSWXTUVBACLUFP-UHFFFAOYSA-N 1 1 298.843 2.903 20 70 CFIDMO CC[N@@H+](CCc1nccs1)Cc1c(C)nn(C)c1Cl ZINC000159423120 378709467 /nfs/dbraw/zinc/70/94/67/378709467.db2.gz GSWXTUVBACLUFP-UHFFFAOYSA-N 1 1 298.843 2.903 20 70 CFIDMO CCc1nnc(C[NH+]2CCC(C)(c3ccccc3)CC2)[nH]1 ZINC000159487385 378712098 /nfs/dbraw/zinc/71/20/98/378712098.db2.gz DCDYFOXTQWVMCV-UHFFFAOYSA-N 1 1 284.407 2.921 20 70 CFIDMO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159559653 378716754 /nfs/dbraw/zinc/71/67/54/378716754.db2.gz JTNRFVNFCAPYQZ-ZLDLUXBVSA-N 1 1 251.345 2.980 20 70 CFIDMO c1cn(CC[N@H+]2CCC[C@@H]2Cc2ccccc2)cn1 ZINC000159708716 378725716 /nfs/dbraw/zinc/72/57/16/378725716.db2.gz RBBSJSMRGUEZOP-MRXNPFEDSA-N 1 1 255.365 2.590 20 70 CFIDMO O=C(C[N@H+]1CCCC[C@@H]1CO)Nc1ccc2ccccc2c1 ZINC000159714823 378726193 /nfs/dbraw/zinc/72/61/93/378726193.db2.gz HIBMYRSOTJBUDR-QGZVFWFLSA-N 1 1 298.386 2.625 20 70 CFIDMO O=C(C[N@@H+]1CCCC[C@@H]1CO)Nc1ccc2ccccc2c1 ZINC000159714823 378726199 /nfs/dbraw/zinc/72/61/99/378726199.db2.gz HIBMYRSOTJBUDR-QGZVFWFLSA-N 1 1 298.386 2.625 20 70 CFIDMO CN(C)c1cccc(C[N@@H+](C)CCc2ccncc2)c1 ZINC000159791891 378730409 /nfs/dbraw/zinc/73/04/09/378730409.db2.gz YASJDCSTLFDVTE-UHFFFAOYSA-N 1 1 269.392 2.822 20 70 CFIDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CCn2ccnc2)cc1 ZINC000159826422 378732014 /nfs/dbraw/zinc/73/20/14/378732014.db2.gz MQPPJDMRSNXIBQ-KRWDZBQOSA-N 1 1 269.392 2.899 20 70 CFIDMO OC[C@@H]1CCC[N@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000159852914 378733645 /nfs/dbraw/zinc/73/36/45/378733645.db2.gz FQLVKSDNJALGLV-LBPRGKRZSA-N 1 1 289.297 2.584 20 70 CFIDMO NC(=O)CC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000159838048 378734350 /nfs/dbraw/zinc/73/43/50/378734350.db2.gz RGOKEZKNCATQIC-UHFFFAOYSA-N 1 1 284.762 2.567 20 70 CFIDMO COc1ccc(C)[nH+]c1NCc1ccccc1NC(C)=O ZINC000160585119 378784799 /nfs/dbraw/zinc/78/47/99/378784799.db2.gz XJZJBIKDQJMBCT-UHFFFAOYSA-N 1 1 285.347 2.969 20 70 CFIDMO CC1=C(C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)CCCO1 ZINC000160814254 378800781 /nfs/dbraw/zinc/80/07/81/378800781.db2.gz BOBFXJYAOUTLTQ-CYBMUJFWSA-N 1 1 292.423 2.546 20 70 CFIDMO COc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1F ZINC000160792653 378797880 /nfs/dbraw/zinc/79/78/80/378797880.db2.gz LXPJNFHYPDDURP-PBHICJAKSA-N 1 1 293.382 2.961 20 70 CFIDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(OC)OC ZINC000161281250 378836173 /nfs/dbraw/zinc/83/61/73/378836173.db2.gz OXVWPBOJGLBHJO-HNNXBMFYSA-N 1 1 265.397 2.867 20 70 CFIDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(COC)cc1 ZINC000161256092 378834570 /nfs/dbraw/zinc/83/45/70/378834570.db2.gz HLFIZBMPKDVWEX-INIZCTEOSA-N 1 1 291.391 2.751 20 70 CFIDMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(COC)cc1 ZINC000161256092 378834578 /nfs/dbraw/zinc/83/45/78/378834578.db2.gz HLFIZBMPKDVWEX-INIZCTEOSA-N 1 1 291.391 2.751 20 70 CFIDMO CC[C@](C)(O)C[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000160893703 378808201 /nfs/dbraw/zinc/80/82/01/378808201.db2.gz CDMDQTMIRNRKIE-HNNXBMFYSA-N 1 1 251.370 2.596 20 70 CFIDMO CC[N@@H+](Cc1cncs1)C[C@H]1COc2ccccc2O1 ZINC000160949838 378811858 /nfs/dbraw/zinc/81/18/58/378811858.db2.gz JVZBZSPQDHLRGA-LBPRGKRZSA-N 1 1 290.388 2.805 20 70 CFIDMO CC[N@H+](Cc1cncs1)C[C@H]1COc2ccccc2O1 ZINC000160949838 378811867 /nfs/dbraw/zinc/81/18/67/378811867.db2.gz JVZBZSPQDHLRGA-LBPRGKRZSA-N 1 1 290.388 2.805 20 70 CFIDMO CC[C@H](C)N(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000160968373 378813808 /nfs/dbraw/zinc/81/38/08/378813808.db2.gz KZLMKNUICDEPDP-GJZGRUSLSA-N 1 1 283.460 2.937 20 70 CFIDMO C[C@H](CO)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000161066935 378819762 /nfs/dbraw/zinc/81/97/62/378819762.db2.gz PORHTUFLTJGNSK-MRVPVSSYSA-N 1 1 292.604 2.915 20 70 CFIDMO c1ccc2[nH+]c(NC[C@H]3CSCCS3)[nH]c2c1 ZINC000161089644 378820803 /nfs/dbraw/zinc/82/08/03/378820803.db2.gz VUARISLWNPCVCK-VIFPVBQESA-N 1 1 265.407 2.823 20 70 CFIDMO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000161505155 378852611 /nfs/dbraw/zinc/85/26/11/378852611.db2.gz CHPWRENIQNIVPD-IRXDYDNUSA-N 1 1 258.409 2.960 20 70 CFIDMO CN1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000161505155 378852616 /nfs/dbraw/zinc/85/26/16/378852616.db2.gz CHPWRENIQNIVPD-IRXDYDNUSA-N 1 1 258.409 2.960 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](COC)Cc1ccccc1 ZINC000160107533 322332890 /nfs/dbraw/zinc/33/28/90/322332890.db2.gz UZMBQZSYZSAOMR-WBVHZDCISA-N 1 1 278.440 2.564 20 70 CFIDMO CC[C@H](C)[N@H+](C)CCNCc1ccc(-n2cccn2)cc1 ZINC000217388244 382786122 /nfs/dbraw/zinc/78/61/22/382786122.db2.gz YDHLGMKRIRYGAO-HNNXBMFYSA-N 1 1 286.423 2.692 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(-n2cccn2)cc1 ZINC000217388244 382786124 /nfs/dbraw/zinc/78/61/24/382786124.db2.gz YDHLGMKRIRYGAO-HNNXBMFYSA-N 1 1 286.423 2.692 20 70 CFIDMO COc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(OC)c1 ZINC000217440590 382786740 /nfs/dbraw/zinc/78/67/40/382786740.db2.gz PURYOPZTMZKRHJ-HEHGZKQESA-N 1 1 292.423 2.522 20 70 CFIDMO CC[C@H](C)[N@H+](C)CCNCc1ccc2[nH]ccc2c1 ZINC000217758761 382787886 /nfs/dbraw/zinc/78/78/86/382787886.db2.gz VTGQUZOXVYCYPS-ZDUSSCGKSA-N 1 1 259.397 2.988 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc2[nH]ccc2c1 ZINC000217758761 382787888 /nfs/dbraw/zinc/78/78/88/382787888.db2.gz VTGQUZOXVYCYPS-ZDUSSCGKSA-N 1 1 259.397 2.988 20 70 CFIDMO CCOC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000217183655 393756958 /nfs/dbraw/zinc/75/69/58/393756958.db2.gz AOJXQACARYBMNC-SJORKVTESA-N 1 1 277.408 2.654 20 70 CFIDMO CC(C)CSCCC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159671640 322326155 /nfs/dbraw/zinc/32/61/55/322326155.db2.gz DXYFYSUJUQBAQJ-KGLIPLIRSA-N 1 1 259.459 2.859 20 70 CFIDMO c1nc2ccccn2c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000159724697 322327254 /nfs/dbraw/zinc/32/72/54/322327254.db2.gz OUNFFKVIIUAFCJ-UHFFFAOYSA-N 1 1 298.434 2.642 20 70 CFIDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1(C2CC2)CC1 ZINC000159751137 322327347 /nfs/dbraw/zinc/32/73/47/322327347.db2.gz ZOQWXVRNKGTVLZ-UONOGXRCSA-N 1 1 293.455 2.596 20 70 CFIDMO CC[C@@H](C)[N@H+](C)CCN[C@H](COC)Cc1ccccc1 ZINC000160107533 322332887 /nfs/dbraw/zinc/33/28/87/322332887.db2.gz UZMBQZSYZSAOMR-WBVHZDCISA-N 1 1 278.440 2.564 20 70 CFIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCCCC1 ZINC000160541548 322339669 /nfs/dbraw/zinc/33/96/69/322339669.db2.gz ODRGLHQDXAWWMB-OAHLLOKOSA-N 1 1 266.429 2.803 20 70 CFIDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000161143481 322347976 /nfs/dbraw/zinc/34/79/76/322347976.db2.gz NOCFUSFOXQXISW-UHFFFAOYSA-N 1 1 260.312 2.867 20 70 CFIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000160554034 519722618 /nfs/dbraw/zinc/72/26/18/519722618.db2.gz BGNFEKKQSCYLMS-ILXRZTDVSA-N 1 1 290.407 2.620 20 70 CFIDMO CC(C)OCCC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000160279920 519762550 /nfs/dbraw/zinc/76/25/50/519762550.db2.gz FJOFCDMXJSXZCH-INIZCTEOSA-N 1 1 262.397 2.988 20 70 CFIDMO CCOC[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160410874 520115890 /nfs/dbraw/zinc/11/58/90/520115890.db2.gz ACWFKFZXCKRKFC-CQSZACIVSA-N 1 1 273.380 2.583 20 70 CFIDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3ccccn23)C1(C)C ZINC000160569797 520407841 /nfs/dbraw/zinc/40/78/41/520407841.db2.gz AGFVRXUSVUMGFY-LSDHHAIUSA-N 1 1 287.407 2.970 20 70 CFIDMO CCCCSCCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000159900683 520949999 /nfs/dbraw/zinc/94/99/99/520949999.db2.gz XGSOTPATMHBLMV-AWEZNQCLSA-N 1 1 286.485 2.758 20 70 CFIDMO CCc1nnc(C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)[nH]1 ZINC000160473097 522351237 /nfs/dbraw/zinc/35/12/37/522351237.db2.gz AFROSMHCXUPNKG-LLVKDONJSA-N 1 1 276.359 2.974 20 70 CFIDMO C[N@H+](CCCN1CCCCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161434649 522747891 /nfs/dbraw/zinc/74/78/91/522747891.db2.gz WEGMYKMAKVVBJJ-XHSDSOJGSA-N 1 1 280.456 2.608 20 70 CFIDMO C[N@@H+](CCCN1CCCCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161434649 522747905 /nfs/dbraw/zinc/74/79/05/522747905.db2.gz WEGMYKMAKVVBJJ-XHSDSOJGSA-N 1 1 280.456 2.608 20 70 CFIDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cnc3ccccn23)C1(C)C ZINC000160899500 523813420 /nfs/dbraw/zinc/81/34/20/523813420.db2.gz GRVSLKZOXLOPRS-YOEHRIQHSA-N 1 1 287.407 2.970 20 70 CFIDMO COc1ccccc1-c1nnc(C[N@@H+](C)[C@H](C)C2CC2)o1 ZINC000159653089 524286341 /nfs/dbraw/zinc/28/63/41/524286341.db2.gz LURGHBPWFSSSGB-LLVKDONJSA-N 1 1 287.363 2.976 20 70 CFIDMO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COCC(C)C)n1 ZINC000160111448 524894510 /nfs/dbraw/zinc/89/45/10/524894510.db2.gz GZYOVYZHTVKBKN-DOTOQJQBSA-N 1 1 292.423 2.560 20 70 CFIDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc(C(C)(C)C)ns1 ZINC000159860698 524896127 /nfs/dbraw/zinc/89/61/27/524896127.db2.gz RJMZSMQZZUPTIL-MNOVXSKESA-N 1 1 282.457 2.612 20 70 CFIDMO c1cc2cccc(C[NH2+]Cc3nnc4ccccn43)c2[nH]1 ZINC000218073004 526450172 /nfs/dbraw/zinc/45/01/72/526450172.db2.gz NXOPFECLADLZBH-UHFFFAOYSA-N 1 1 277.331 2.500 20 70 CFIDMO O=C([C@H](Cc1ccccc1)[NH2+]Cc1ccco1)N1CCCC1 ZINC000159932989 526519271 /nfs/dbraw/zinc/51/92/71/526519271.db2.gz IQKJMJPOJIQQKH-KRWDZBQOSA-N 1 1 298.386 2.603 20 70 CFIDMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000159563308 527177631 /nfs/dbraw/zinc/17/76/31/527177631.db2.gz BYTDXKDZRCUVCO-OAHLLOKOSA-N 1 1 295.390 2.676 20 70 CFIDMO Cc1[nH+]ccn1CCCCN(C)Cc1cscn1 ZINC000161460519 527392033 /nfs/dbraw/zinc/39/20/33/527392033.db2.gz LIASWZPQVVDWNJ-UHFFFAOYSA-N 1 1 264.398 2.560 20 70 CFIDMO CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159919930 529333347 /nfs/dbraw/zinc/33/33/47/529333347.db2.gz YATOMHLFGCRKBE-ZIAGYGMSSA-N 1 1 269.433 2.548 20 70 CFIDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1coc2ccccc12 ZINC000159550642 545586934 /nfs/dbraw/zinc/58/69/34/545586934.db2.gz LUSBFYHXWBUHTD-NEPJUHHUSA-N 1 1 272.348 2.519 20 70 CFIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCc2ccccc21 ZINC000159679470 348014017 /nfs/dbraw/zinc/01/40/17/348014017.db2.gz NZCXUCKPSRPHRA-HOCLYGCPSA-N 1 1 284.403 2.840 20 70 CFIDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC(C)(C)C ZINC000159765333 348014033 /nfs/dbraw/zinc/01/40/33/348014033.db2.gz YQLNXBRPKLVDKB-CYBMUJFWSA-N 1 1 254.418 2.803 20 70 CFIDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CCC(C)(C)C ZINC000159765481 348014420 /nfs/dbraw/zinc/01/44/20/348014420.db2.gz YQLNXBRPKLVDKB-ZDUSSCGKSA-N 1 1 254.418 2.803 20 70 CFIDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC000159770357 348014452 /nfs/dbraw/zinc/01/44/52/348014452.db2.gz SJWLVQRQELUKBZ-JSGCOSHPSA-N 1 1 280.437 2.842 20 70 CFIDMO CCCC[N@@H+](C)CCNC(=O)[C@H](C)Cc1ccccc1F ZINC000159951536 348015337 /nfs/dbraw/zinc/01/53/37/348015337.db2.gz PFAQKNLXKKNLSB-CQSZACIVSA-N 1 1 294.414 2.852 20 70 CFIDMO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000160776780 348020846 /nfs/dbraw/zinc/02/08/46/348020846.db2.gz SLNSJBBXACADIH-CYBMUJFWSA-N 1 1 296.374 2.941 20 70 CFIDMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000160776780 348020850 /nfs/dbraw/zinc/02/08/50/348020850.db2.gz SLNSJBBXACADIH-CYBMUJFWSA-N 1 1 296.374 2.941 20 70 CFIDMO CCC[N@H+](CC)CCNCc1ccc2cc[nH]c2c1 ZINC000217645178 348165276 /nfs/dbraw/zinc/16/52/76/348165276.db2.gz SQVAAEQNTDZKKQ-UHFFFAOYSA-N 1 1 259.397 2.989 20 70 CFIDMO CCC[N@@H+](CC)CCNCc1ccc2cc[nH]c2c1 ZINC000217645178 348165277 /nfs/dbraw/zinc/16/52/77/348165277.db2.gz SQVAAEQNTDZKKQ-UHFFFAOYSA-N 1 1 259.397 2.989 20 70 CFIDMO CCCn1nccc1C[NH2+][C@H](C)c1c(C)noc1C ZINC000160173731 540669893 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Cc1ccc(-c2n[nH]c(NC(=O)C[N@@H+](C)C(C)C)c2C)o1 ZINC000161387011 378842836 /nfs/dbraw/zinc/84/28/36/378842836.db2.gz WKGVMGNCDDMVSH-UHFFFAOYSA-N 1 1 290.367 2.565 20 70 CFIDMO Cc1ccc(-c2n[nH]c(NC(=O)C[N@H+](C)C(C)C)c2C)o1 ZINC000161387011 378842841 /nfs/dbraw/zinc/84/28/41/378842841.db2.gz WKGVMGNCDDMVSH-UHFFFAOYSA-N 1 1 290.367 2.565 20 70 CFIDMO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1sccc1C ZINC000161268498 322349638 /nfs/dbraw/zinc/34/96/38/322349638.db2.gz DYFCSJQHIKUDIN-GFCCVEGCSA-N 1 1 267.394 2.974 20 70 CFIDMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1sccc1C ZINC000161268498 322349641 /nfs/dbraw/zinc/34/96/41/322349641.db2.gz DYFCSJQHIKUDIN-GFCCVEGCSA-N 1 1 267.394 2.974 20 70 CFIDMO C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)C[C@@H]1CCCCO1 ZINC000216951755 382785342 /nfs/dbraw/zinc/78/53/42/382785342.db2.gz ARGXHXHMTIBFAX-LSDHHAIUSA-N 1 1 289.375 2.967 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1c[nH]nc1-c1ccccc1 ZINC000217372064 382786178 /nfs/dbraw/zinc/78/61/78/382786178.db2.gz FXOQNGGYNUQLBH-CQSZACIVSA-N 1 1 286.423 2.897 20 70 CFIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000217372064 382786181 /nfs/dbraw/zinc/78/61/81/382786181.db2.gz FXOQNGGYNUQLBH-CQSZACIVSA-N 1 1 286.423 2.897 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNCc1nc2ccccc2n1CC ZINC000217393166 382786564 /nfs/dbraw/zinc/78/65/64/382786564.db2.gz ALKPXDGFAKORKO-AWEZNQCLSA-N 1 1 288.439 2.876 20 70 CFIDMO COCCOc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000218068322 382788736 /nfs/dbraw/zinc/78/87/36/382788736.db2.gz KNDIDPRHWPCAQP-JJRVBVJISA-N 1 1 292.423 2.852 20 70 CFIDMO CC[C@@H](C)[N@H+](C)CCNCc1cccc2[nH]ccc21 ZINC000218185117 382789439 /nfs/dbraw/zinc/78/94/39/382789439.db2.gz HYKWLBOINMIIFY-CYBMUJFWSA-N 1 1 259.397 2.988 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cccc2[nH]ccc21 ZINC000218185117 382789441 /nfs/dbraw/zinc/78/94/41/382789441.db2.gz HYKWLBOINMIIFY-CYBMUJFWSA-N 1 1 259.397 2.988 20 70 CFIDMO CC[C@H](C)[N@H+](C)CCNCc1cccc2[nH]ccc21 ZINC000218185193 382789617 /nfs/dbraw/zinc/78/96/17/382789617.db2.gz HYKWLBOINMIIFY-ZDUSSCGKSA-N 1 1 259.397 2.988 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNCc1cccc2[nH]ccc21 ZINC000218185193 382789618 /nfs/dbraw/zinc/78/96/18/382789618.db2.gz HYKWLBOINMIIFY-ZDUSSCGKSA-N 1 1 259.397 2.988 20 70 CFIDMO CCn1cnnc1C[NH2+]Cc1ccc2ccccc2c1 ZINC000218224128 382789755 /nfs/dbraw/zinc/78/97/55/382789755.db2.gz MKZCRRVAZPSWKU-UHFFFAOYSA-N 1 1 266.348 2.741 20 70 CFIDMO CCn1cnnc1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000218226699 382789915 /nfs/dbraw/zinc/78/99/15/382789915.db2.gz CHABFTLYPZFXJT-UHFFFAOYSA-N 1 1 272.396 2.885 20 70 CFIDMO COc1ccc([C@@H]2CC[N@@H+](CCOCC3CC3)C2)cc1 ZINC000160032500 533145607 /nfs/dbraw/zinc/14/56/07/533145607.db2.gz SUCLLBVUBVYHDL-MRXNPFEDSA-N 1 1 275.392 2.911 20 70 CFIDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161360674 394367300 /nfs/dbraw/zinc/36/73/00/394367300.db2.gz QNTZHAHNBGIYIH-CJNGLKHVSA-N 1 1 276.399 2.787 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(C(F)(F)F)nn1 ZINC000218002601 397621049 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C[N@H+]1CCN(C(=O)C2=CCCC2)[C@H](c2ccccc2)C1 ZINC000159785398 322327974 /nfs/dbraw/zinc/32/79/74/322327974.db2.gz HNWIYLJZXRJNDY-INIZCTEOSA-N 1 1 270.376 2.612 20 70 CFIDMO CC(C)[N@@H+](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC000159781897 322328071 /nfs/dbraw/zinc/32/80/71/322328071.db2.gz YXFJNHZJYFPDIQ-UHFFFAOYSA-N 1 1 254.418 2.659 20 70 CFIDMO Cc1cccc(C)c1CSCC[NH+]1CCOCC1 ZINC000160067964 322332562 /nfs/dbraw/zinc/33/25/62/322332562.db2.gz AQSMLTUHNCERFM-UHFFFAOYSA-N 1 1 265.422 2.869 20 70 CFIDMO Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160569420 322339783 /nfs/dbraw/zinc/33/97/83/322339783.db2.gz VLTGQUBMBFFIFZ-OAHLLOKOSA-N 1 1 274.408 2.845 20 70 CFIDMO CS[C@H](C)CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000160896197 322344916 /nfs/dbraw/zinc/34/49/16/322344916.db2.gz RCCPKKNLYGDRRJ-CHWSQXEVSA-N 1 1 286.485 2.755 20 70 CFIDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC000161082073 322346932 /nfs/dbraw/zinc/34/69/32/322346932.db2.gz XWZBXVBWGBMMOV-LBPRGKRZSA-N 1 1 295.452 2.728 20 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2.882 20 70 CFIDMO CCOC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000161113865 528923714 /nfs/dbraw/zinc/92/37/14/528923714.db2.gz CQXBRGBUZPOOPB-MRXNPFEDSA-N 1 1 268.445 2.611 20 70 CFIDMO CCOC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161113865 528923716 /nfs/dbraw/zinc/92/37/16/528923716.db2.gz CQXBRGBUZPOOPB-MRXNPFEDSA-N 1 1 268.445 2.611 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)NCC(CC)(CC)CC)CC1 ZINC000159983401 529023864 /nfs/dbraw/zinc/02/38/64/529023864.db2.gz KXFKNTNSGYUWMW-UHFFFAOYSA-N 1 1 283.460 2.940 20 70 CFIDMO CC[C@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000159894528 529230180 /nfs/dbraw/zinc/23/01/80/529230180.db2.gz WEJCGXJPTVUPAK-GJZGRUSLSA-N 1 1 281.444 2.692 20 70 CFIDMO Fc1cc(F)cc(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000159664218 232245779 /nfs/dbraw/zinc/24/57/79/232245779.db2.gz NVZGWKQRYKRZRF-UHFFFAOYSA-N 1 1 266.335 2.681 20 70 CFIDMO CCc1ccc([C@@H](C)CC(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000160134159 348015803 /nfs/dbraw/zinc/01/58/03/348015803.db2.gz KPOKJBCSPOHBPX-WMLDXEAASA-N 1 1 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ZINC000160097758 541021508 /nfs/dbraw/zinc/02/15/08/541021508.db2.gz ZQKBPFBDYVAGRZ-UHFFFAOYSA-N 1 1 273.380 2.980 20 70 CFIDMO C[N@H+](CCCCS(C)(=O)=O)Cc1ccc(Cl)s1 ZINC000161222312 541559022 /nfs/dbraw/zinc/55/90/22/541559022.db2.gz ZOSURZGEVVCWTC-UHFFFAOYSA-N 1 1 295.857 2.658 20 70 CFIDMO C[N@@H+](CCCCS(C)(=O)=O)Cc1ccc(Cl)s1 ZINC000161222312 541559024 /nfs/dbraw/zinc/55/90/24/541559024.db2.gz ZOSURZGEVVCWTC-UHFFFAOYSA-N 1 1 295.857 2.658 20 70 CFIDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2nc(C(C)(C)C)ns2)C1 ZINC000160022847 378743826 /nfs/dbraw/zinc/74/38/26/378743826.db2.gz RBBFRPDLTRZEKN-NEPJUHHUSA-N 1 1 294.468 2.756 20 70 CFIDMO CC(C)Oc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000160065845 378747464 /nfs/dbraw/zinc/74/74/64/378747464.db2.gz GSMKIWLYLZYKAP-IJEWVQPXSA-N 1 1 291.439 2.687 20 70 CFIDMO CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cn1 ZINC000160065845 378747478 /nfs/dbraw/zinc/74/74/78/378747478.db2.gz GSMKIWLYLZYKAP-IJEWVQPXSA-N 1 1 291.439 2.687 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000160109196 378750399 /nfs/dbraw/zinc/75/03/99/378750399.db2.gz ZTXNDKMHTPNASA-KBPBESRZSA-N 1 1 292.423 2.839 20 70 CFIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000160109196 378750404 /nfs/dbraw/zinc/75/04/04/378750404.db2.gz ZTXNDKMHTPNASA-KBPBESRZSA-N 1 1 292.423 2.839 20 70 CFIDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCCn1cccc1 ZINC000159530416 378715397 /nfs/dbraw/zinc/71/53/97/378715397.db2.gz QGGNZICTBZDIPX-MRXNPFEDSA-N 1 1 291.439 2.649 20 70 CFIDMO CCCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159549564 378715923 /nfs/dbraw/zinc/71/59/23/378715923.db2.gz WVNYQPJBFSUWHS-KBPBESRZSA-N 1 1 267.369 2.594 20 70 CFIDMO CCCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159549564 378715928 /nfs/dbraw/zinc/71/59/28/378715928.db2.gz WVNYQPJBFSUWHS-KBPBESRZSA-N 1 1 267.369 2.594 20 70 CFIDMO CC(C)c1ccc(CCCNC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000159607067 378719824 /nfs/dbraw/zinc/71/98/24/378719824.db2.gz IIZDZHWXXVCEJP-HNNXBMFYSA-N 1 1 292.448 2.521 20 70 CFIDMO CC(C)c1ccc(CCCNC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000159607199 378720013 /nfs/dbraw/zinc/72/00/13/378720013.db2.gz IIZDZHWXXVCEJP-OAHLLOKOSA-N 1 1 292.448 2.521 20 70 CFIDMO COc1cccc([C@@H]2CCC[N@H+]2CCn2ccnc2)c1 ZINC000159692190 378724280 /nfs/dbraw/zinc/72/42/80/378724280.db2.gz CXQBAAXWXSJNKR-INIZCTEOSA-N 1 1 271.364 2.729 20 70 CFIDMO COc1cccc([C@H]2CCC[N@H+]2CCn2ccnc2)c1 ZINC000159692309 378724397 /nfs/dbraw/zinc/72/43/97/378724397.db2.gz CXQBAAXWXSJNKR-MRXNPFEDSA-N 1 1 271.364 2.729 20 70 CFIDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCn1ccnc1 ZINC000159709613 378726583 /nfs/dbraw/zinc/72/65/83/378726583.db2.gz LHWCJTQQNIGKNK-LLVKDONJSA-N 1 1 265.307 2.854 20 70 CFIDMO CC(C)OC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000160313316 378763403 /nfs/dbraw/zinc/76/34/03/378763403.db2.gz CAMMXHIFMIKDIF-CQSZACIVSA-N 1 1 262.353 2.520 20 70 CFIDMO CC(C)OC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000160313316 378763412 /nfs/dbraw/zinc/76/34/12/378763412.db2.gz CAMMXHIFMIKDIF-CQSZACIVSA-N 1 1 262.353 2.520 20 70 CFIDMO CCc1nnc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)[nH]1 ZINC000160554396 378781080 /nfs/dbraw/zinc/78/10/80/378781080.db2.gz TXEUBTZMGOKCKH-HNNXBMFYSA-N 1 1 274.343 2.747 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1)C1CC1 ZINC000160659331 378789559 /nfs/dbraw/zinc/78/95/59/378789559.db2.gz JJFSQTIAMSLVDF-UHFFFAOYSA-N 1 1 295.448 2.864 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000160659331 378789561 /nfs/dbraw/zinc/78/95/61/378789561.db2.gz JJFSQTIAMSLVDF-UHFFFAOYSA-N 1 1 295.448 2.864 20 70 CFIDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160773981 378798051 /nfs/dbraw/zinc/79/80/51/378798051.db2.gz LDQRCWZABSOUOI-MXSMSXNCSA-N 1 1 290.451 2.819 20 70 CFIDMO CC1(O)CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000161223288 378830723 /nfs/dbraw/zinc/83/07/23/378830723.db2.gz FSRHDWABOJLTFF-UHFFFAOYSA-N 1 1 289.404 2.552 20 70 CFIDMO CCC[N@@H+](CCO)Cc1cc(OC)ccc1OC(F)F ZINC000161214535 378831699 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CC[N@@H+](CC(=O)N[C@H]1CCCc2sccc21)C1CC1 ZINC000160385137 378768536 /nfs/dbraw/zinc/76/85/36/378768536.db2.gz LIGOTJWYVFLRPG-ZDUSSCGKSA-N 1 1 278.421 2.726 20 70 CFIDMO Cc1nc(N[C@H]2CCO[C@@H](C3CC3)C2)c(C)c(C)[nH+]1 ZINC000160387140 378769179 /nfs/dbraw/zinc/76/91/79/378769179.db2.gz XYPGVIMECUHOAY-UONOGXRCSA-N 1 1 261.369 2.771 20 70 CFIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC000160422032 378771996 /nfs/dbraw/zinc/77/19/96/378771996.db2.gz NLIHUSYDWTVSRB-LLVKDONJSA-N 1 1 284.787 2.783 20 70 CFIDMO C[C@]1(CNc2ncccn2)CCC[N@H+]1Cc1ccccc1 ZINC000160792764 378800536 /nfs/dbraw/zinc/80/05/36/378800536.db2.gz YIVHEBKOJYUPMS-QGZVFWFLSA-N 1 1 282.391 2.943 20 70 CFIDMO COC(C[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1)OC ZINC000161271506 378836135 /nfs/dbraw/zinc/83/61/35/378836135.db2.gz LRHPOJPLFVQBHN-FZMZJTMJSA-N 1 1 267.344 2.828 20 70 CFIDMO CCCn1ccc2ccc(NC(=O)[C@H]3CSC[NH2+]3)cc21 ZINC000161281005 378835086 /nfs/dbraw/zinc/83/50/86/378835086.db2.gz WUSUDKCCWXBFGV-CYBMUJFWSA-N 1 1 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URWIUSCOULPDRB-ZDUSSCGKSA-N 1 1 259.397 2.988 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNCc1cccc2cc[nH]c21 ZINC000218184779 382789403 /nfs/dbraw/zinc/78/94/03/382789403.db2.gz URWIUSCOULPDRB-ZDUSSCGKSA-N 1 1 259.397 2.988 20 70 CFIDMO CC1CC[NH+](CCNCc2cccc3cc[nH]c32)CC1 ZINC000218107157 382789428 /nfs/dbraw/zinc/78/94/28/382789428.db2.gz JDEZPEDATIMXMY-UHFFFAOYSA-N 1 1 271.408 2.989 20 70 CFIDMO CCn1cnnc1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000218228827 382789815 /nfs/dbraw/zinc/78/98/15/382789815.db2.gz UQCCROHYMQRTHV-UHFFFAOYSA-N 1 1 258.369 2.513 20 70 CFIDMO C[N@@H+]1CCC[C@@H]1CNCc1nc(-c2ccccc2)cs1 ZINC000218235845 382790031 /nfs/dbraw/zinc/79/00/31/382790031.db2.gz FFYAVBPYSGCKLN-CQSZACIVSA-N 1 1 287.432 2.994 20 70 CFIDMO C[N@H+]1CCC[C@@H]1CNCc1nc(-c2ccccc2)cs1 ZINC000218235845 382790032 /nfs/dbraw/zinc/79/00/32/382790032.db2.gz FFYAVBPYSGCKLN-CQSZACIVSA-N 1 1 287.432 2.994 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000159516886 279286273 /nfs/dbraw/zinc/28/62/73/279286273.db2.gz DIIDRCNDKJLFRO-SOUVJXGZSA-N 1 1 281.444 2.548 20 70 CFIDMO C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)CCN1C ZINC000161350326 280009628 /nfs/dbraw/zinc/00/96/28/280009628.db2.gz DEALMQKHRKFFKX-XJKSGUPXSA-N 1 1 276.399 2.930 20 70 CFIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000159521716 322324008 /nfs/dbraw/zinc/32/40/08/322324008.db2.gz YZCCIGWRBKYGJT-WDEREUQCSA-N 1 1 290.338 2.658 20 70 CFIDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)OC1CCCCCC1 ZINC000159572627 322324484 /nfs/dbraw/zinc/32/44/84/322324484.db2.gz KDWHLXRROFUJBC-HUUCEWRRSA-N 1 1 296.455 2.715 20 70 CFIDMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000159674594 322326478 /nfs/dbraw/zinc/32/64/78/322326478.db2.gz NUTGKINIZNNLCN-KGLIPLIRSA-N 1 1 262.401 2.761 20 70 CFIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000159674594 322326480 /nfs/dbraw/zinc/32/64/80/322326480.db2.gz NUTGKINIZNNLCN-KGLIPLIRSA-N 1 1 262.401 2.761 20 70 CFIDMO OCC[C@@H]1CCCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159703594 322326887 /nfs/dbraw/zinc/32/68/87/322326887.db2.gz ZRQCIVVAJCQTRN-INIZCTEOSA-N 1 1 285.391 2.609 20 70 CFIDMO Cc1cccc(C)c1OCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159844312 322329370 /nfs/dbraw/zinc/32/93/70/322329370.db2.gz QSJLQODXHISXGL-HOTGVXAUSA-N 1 1 277.408 2.775 20 70 CFIDMO Cc1cccc([C@@H](C)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000159903736 322329806 /nfs/dbraw/zinc/32/98/06/322329806.db2.gz AMWNOSMAEZXXQP-JKSUJKDBSA-N 1 1 288.435 2.947 20 70 CFIDMO C[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160096360 322332673 /nfs/dbraw/zinc/33/26/73/322332673.db2.gz VQAFEFRDVVJRMB-SWLSCSKDSA-N 1 1 276.355 2.805 20 70 CFIDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000160362679 322337009 /nfs/dbraw/zinc/33/70/09/322337009.db2.gz IJVLLPSWLFTQNP-OAHLLOKOSA-N 1 1 286.400 2.865 20 70 CFIDMO CCOCCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000160494898 322338604 /nfs/dbraw/zinc/33/86/04/322338604.db2.gz KXMFFWVEAPHVJQ-UHFFFAOYSA-N 1 1 292.423 2.683 20 70 CFIDMO C[C@@H]1SCC[N@@H+](Cc2cnc3ccccn23)[C@H]1C ZINC000160501437 322339019 /nfs/dbraw/zinc/33/90/19/322339019.db2.gz CZQYNDZBWHTNCY-RYUDHWBXSA-N 1 1 261.394 2.660 20 70 CFIDMO CCN(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000160820158 322343604 /nfs/dbraw/zinc/34/36/04/322343604.db2.gz MKZCKFUUCLKPAA-AWEZNQCLSA-N 1 1 293.455 2.977 20 70 CFIDMO CCCCC[N@@H+](Cc1nncn1C)[C@H](C)CCC ZINC000160853798 322344373 /nfs/dbraw/zinc/34/43/73/322344373.db2.gz XKYRQKRQEQDHGT-CYBMUJFWSA-N 1 1 252.406 2.996 20 70 CFIDMO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2C2CCCC2)n1 ZINC000160968910 322345490 /nfs/dbraw/zinc/34/54/90/322345490.db2.gz LNKFTLZKAQDAPH-CQSZACIVSA-N 1 1 275.396 2.899 20 70 CFIDMO c1ccc2c(c1)CC[NH+](CCCN1CCCCC1)CC2 ZINC000161139683 322348270 /nfs/dbraw/zinc/34/82/70/322348270.db2.gz VAMGKVUDEGWCPI-UHFFFAOYSA-N 1 1 272.436 2.963 20 70 CFIDMO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000161199029 322348668 /nfs/dbraw/zinc/34/86/68/322348668.db2.gz ZPFMGDBCILRRAQ-HNNXBMFYSA-N 1 1 289.423 2.695 20 70 CFIDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000161199029 322348669 /nfs/dbraw/zinc/34/86/69/322348669.db2.gz ZPFMGDBCILRRAQ-HNNXBMFYSA-N 1 1 289.423 2.695 20 70 CFIDMO CCC[N@@H+](CCO)Cc1ccccc1OCC1CC1 ZINC000161224052 322349289 /nfs/dbraw/zinc/34/92/89/322349289.db2.gz WUZASUKQYLALRV-UHFFFAOYSA-N 1 1 263.381 2.680 20 70 CFIDMO CCc1nc2c(s1)[C@H](NC1CC[NH+](C)CC1)CCC2 ZINC000161476593 322352553 /nfs/dbraw/zinc/35/25/53/322352553.db2.gz TYBKLXUZTOKXPB-GFCCVEGCSA-N 1 1 279.453 2.767 20 70 CFIDMO CCCCOCCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000160228114 520757841 /nfs/dbraw/zinc/75/78/41/520757841.db2.gz GIGORQREQHMUKR-HOTGVXAUSA-N 1 1 262.397 2.928 20 70 CFIDMO CCCCOCCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000160228114 520757846 /nfs/dbraw/zinc/75/78/46/520757846.db2.gz GIGORQREQHMUKR-HOTGVXAUSA-N 1 1 262.397 2.928 20 70 CFIDMO CCCCOCCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000160228391 520758040 /nfs/dbraw/zinc/75/80/40/520758040.db2.gz GIGORQREQHMUKR-CVEARBPZSA-N 1 1 262.397 2.928 20 70 CFIDMO CCCCOCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000160228391 520758049 /nfs/dbraw/zinc/75/80/49/520758049.db2.gz GIGORQREQHMUKR-CVEARBPZSA-N 1 1 262.397 2.928 20 70 CFIDMO CCN(CC)[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000159848157 520858892 /nfs/dbraw/zinc/85/88/92/520858892.db2.gz OKYUICBEYGWTHH-LLVKDONJSA-N 1 1 256.340 2.785 20 70 CFIDMO CCCCSCCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000159894647 520951520 /nfs/dbraw/zinc/95/15/20/520951520.db2.gz MYZGDMIEIBFPFE-AWEZNQCLSA-N 1 1 286.485 2.900 20 70 CFIDMO CCN1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)[C@H](C)C1 ZINC000160074845 521715187 /nfs/dbraw/zinc/71/51/87/521715187.db2.gz CQGRDQBODPTXEM-IUODEOHRSA-N 1 1 298.377 2.664 20 70 CFIDMO CC[N@@H+]1CC[C@@H](NCCOc2ccc(F)cc2F)[C@H](C)C1 ZINC000160074845 521715188 /nfs/dbraw/zinc/71/51/88/521715188.db2.gz CQGRDQBODPTXEM-IUODEOHRSA-N 1 1 298.377 2.664 20 70 CFIDMO CC[N@H+]1CC[C@@H](NCCOc2ccc(F)cc2F)[C@H](C)C1 ZINC000160074845 521715189 /nfs/dbraw/zinc/71/51/89/521715189.db2.gz CQGRDQBODPTXEM-IUODEOHRSA-N 1 1 298.377 2.664 20 70 CFIDMO CC[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000160259408 522825519 /nfs/dbraw/zinc/82/55/19/522825519.db2.gz GJVQJGGKNZHYOP-GOEBONIOSA-N 1 1 278.444 2.725 20 70 CFIDMO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000161423676 523198100 /nfs/dbraw/zinc/19/81/00/523198100.db2.gz CLNQCFCPXZOYGL-IKGGRYGDSA-N 1 1 282.472 2.638 20 70 CFIDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000159645662 524646322 /nfs/dbraw/zinc/64/63/22/524646322.db2.gz ILNOCXCICGYIEH-MNOVXSKESA-N 1 1 295.452 2.526 20 70 CFIDMO CSCCCCC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000159875177 525401646 /nfs/dbraw/zinc/40/16/46/525401646.db2.gz KGDFZOYKRNKEBC-KBPBESRZSA-N 1 1 286.485 2.756 20 70 CFIDMO CS[C@@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000159681448 525792795 /nfs/dbraw/zinc/79/27/95/525792795.db2.gz XQXGEVHCQGJEFT-JTQLQIEISA-N 1 1 290.392 2.656 20 70 CFIDMO Cc1csc(CCCC[NH2+][C@H]2CCN(C)C[C@@H]2C)n1 ZINC000160670548 526339577 /nfs/dbraw/zinc/33/95/77/526339577.db2.gz UNMLHDMZHFLPNZ-JSGCOSHPSA-N 1 1 281.469 2.704 20 70 CFIDMO NC(=O)CC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000160329544 526877104 /nfs/dbraw/zinc/87/71/04/526877104.db2.gz JSCJDKSENJERPS-CQSZACIVSA-N 1 1 252.402 2.544 20 70 CFIDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(CCOC)CC1 ZINC000161183016 528464870 /nfs/dbraw/zinc/46/48/70/528464870.db2.gz HNKIDYQNVSOSSS-OAHLLOKOSA-N 1 1 296.455 2.574 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000159510582 529028840 /nfs/dbraw/zinc/02/88/40/529028840.db2.gz RGKITKSMTOIPRJ-HNNXBMFYSA-N 1 1 283.460 2.938 20 70 CFIDMO COc1ccc(C[NH2+]Cc2ccco2)cc1NC(C)=O ZINC000159986586 348015077 /nfs/dbraw/zinc/01/50/77/348015077.db2.gz PMKAPYYOABTGLZ-UHFFFAOYSA-N 1 1 274.320 2.536 20 70 CFIDMO CC[C@]1(C)C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160401664 348017919 /nfs/dbraw/zinc/01/79/19/348017919.db2.gz OUHSNNQRNFVLOP-IJEWVQPXSA-N 1 1 266.429 2.659 20 70 CFIDMO CC(C)[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160625134 348019045 /nfs/dbraw/zinc/01/90/45/348019045.db2.gz WQARAVSITYZTDG-CVEARBPZSA-N 1 1 293.455 2.691 20 70 CFIDMO CCCn1nccc1C[NH2+]CC1(N(C)C)CCCCC1 ZINC000159973227 540666160 /nfs/dbraw/zinc/66/61/60/540666160.db2.gz JDLWXIOVVAPVOQ-UHFFFAOYSA-N 1 1 278.444 2.647 20 70 CFIDMO CCn1nccc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000159872124 541015061 /nfs/dbraw/zinc/01/50/61/541015061.db2.gz DSFGZWRBYFHCMY-UHFFFAOYSA-N 1 1 298.434 2.657 20 70 CFIDMO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000161329017 541586540 /nfs/dbraw/zinc/58/65/40/541586540.db2.gz MMPLWRSMULWNPX-OAHLLOKOSA-N 1 1 299.411 2.787 20 70 CFIDMO CS(=O)(=O)CCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000161329017 541586542 /nfs/dbraw/zinc/58/65/42/541586542.db2.gz MMPLWRSMULWNPX-OAHLLOKOSA-N 1 1 299.411 2.787 20 70 CFIDMO CC(C)OC(=O)CC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159885620 378735300 /nfs/dbraw/zinc/73/53/00/378735300.db2.gz MUDXHIJQNRMEJL-UHFFFAOYSA-N 1 1 278.396 2.526 20 70 CFIDMO CCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000159903777 378737616 /nfs/dbraw/zinc/73/76/16/378737616.db2.gz CHERWLBMVPFNNH-GOEBONIOSA-N 1 1 289.423 2.701 20 70 CFIDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2nc(C(C)(C)C)ns2)C1 ZINC000160022717 378743983 /nfs/dbraw/zinc/74/39/83/378743983.db2.gz RBBFRPDLTRZEKN-RYUDHWBXSA-N 1 1 294.468 2.756 20 70 CFIDMO C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000160100350 378749017 /nfs/dbraw/zinc/74/90/17/378749017.db2.gz MLTXYKXZSJLOCB-RYUDHWBXSA-N 1 1 296.361 2.526 20 70 CFIDMO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000159691247 378724768 /nfs/dbraw/zinc/72/47/68/378724768.db2.gz PFFNCQNJYZALJK-HUUCEWRRSA-N 1 1 292.448 2.861 20 70 CFIDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCn1ccnc1 ZINC000159709476 378725927 /nfs/dbraw/zinc/72/59/27/378725927.db2.gz LHWCJTQQNIGKNK-NSHDSACASA-N 1 1 265.307 2.854 20 70 CFIDMO c1cn(CC[N@H+]2CCC[C@H]2Cc2ccccc2)cn1 ZINC000159708592 378726125 /nfs/dbraw/zinc/72/61/25/378726125.db2.gz RBBSJSMRGUEZOP-INIZCTEOSA-N 1 1 255.365 2.590 20 70 CFIDMO CCOCCCNc1cc[nH+]cc1Br ZINC000159813124 378732766 /nfs/dbraw/zinc/73/27/66/378732766.db2.gz UISUEIYJLCNHKI-UHFFFAOYSA-N 1 1 259.147 2.683 20 70 CFIDMO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000160380900 378768841 /nfs/dbraw/zinc/76/88/41/378768841.db2.gz LEHPUYOQHDYEJS-UKRRQHHQSA-N 1 1 289.423 2.747 20 70 CFIDMO CCc1nnc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)[nH]1 ZINC000160420228 378770460 /nfs/dbraw/zinc/77/04/60/378770460.db2.gz JXLYREHVHSLDIT-GFCCVEGCSA-N 1 1 258.369 2.835 20 70 CFIDMO Cc1nc2ccccn2c1C[N@H+]1CCOC[C@H]1CC(C)C ZINC000160412986 378770897 /nfs/dbraw/zinc/77/08/97/378770897.db2.gz MARLSFVUFJIJBM-OAHLLOKOSA-N 1 1 287.407 2.890 20 70 CFIDMO Cc1nc2ccccn2c1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000160412986 378770901 /nfs/dbraw/zinc/77/09/01/378770901.db2.gz MARLSFVUFJIJBM-OAHLLOKOSA-N 1 1 287.407 2.890 20 70 CFIDMO CCc1ccc(/C=C/C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000160421711 378772657 /nfs/dbraw/zinc/77/26/57/378772657.db2.gz YTPASTQOPFHZDV-SJXIGLKTSA-N 1 1 290.407 2.796 20 70 CFIDMO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(F)c2)c[nH]1 ZINC000160467273 378773942 /nfs/dbraw/zinc/77/39/42/378773942.db2.gz FPOJKUPQOJPLMT-UHFFFAOYSA-N 1 1 276.311 2.572 20 70 CFIDMO COc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160488412 378776129 /nfs/dbraw/zinc/77/61/29/378776129.db2.gz FMMUPJKYTSTKSB-OAHLLOKOSA-N 1 1 290.407 2.545 20 70 CFIDMO CC(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160618464 378785555 /nfs/dbraw/zinc/78/55/55/378785555.db2.gz UFRPFGLDCFFYRS-HNNXBMFYSA-N 1 1 276.380 2.786 20 70 CFIDMO Cc1nc(C[N@H+](C)CCO)oc1-c1ccc(Cl)cc1 ZINC000160855977 378803366 /nfs/dbraw/zinc/80/33/66/378803366.db2.gz UGFBGKGKOPFHGU-UHFFFAOYSA-N 1 1 280.755 2.728 20 70 CFIDMO Cc1nc(C[N@@H+](C)CCO)oc1-c1ccc(Cl)cc1 ZINC000160855977 378803370 /nfs/dbraw/zinc/80/33/70/378803370.db2.gz UGFBGKGKOPFHGU-UHFFFAOYSA-N 1 1 280.755 2.728 20 70 CFIDMO C[C@H](CN[C@H](C)c1cnccn1)[N@@H+](C)Cc1ccccc1 ZINC000160864386 378803605 /nfs/dbraw/zinc/80/36/05/378803605.db2.gz IPVRAQYKWIQQGC-HUUCEWRRSA-N 1 1 284.407 2.648 20 70 CFIDMO C[C@H](C[NH2+][C@H](C)c1cnccn1)N(C)Cc1ccccc1 ZINC000160864386 378803609 /nfs/dbraw/zinc/80/36/09/378803609.db2.gz IPVRAQYKWIQQGC-HUUCEWRRSA-N 1 1 284.407 2.648 20 70 CFIDMO C[C@@H](CN[C@@H](C)c1cnccn1)[N@@H+](C)Cc1ccccc1 ZINC000160864026 378804000 /nfs/dbraw/zinc/80/40/00/378804000.db2.gz IPVRAQYKWIQQGC-GJZGRUSLSA-N 1 1 284.407 2.648 20 70 CFIDMO C[C@@H](C[NH2+][C@@H](C)c1cnccn1)N(C)Cc1ccccc1 ZINC000160864026 378804005 /nfs/dbraw/zinc/80/40/05/378804005.db2.gz IPVRAQYKWIQQGC-GJZGRUSLSA-N 1 1 284.407 2.648 20 70 CFIDMO C[C@H](CN[C@@H](C)c1cnccn1)[N@@H+](C)Cc1ccccc1 ZINC000160864157 378804341 /nfs/dbraw/zinc/80/43/41/378804341.db2.gz IPVRAQYKWIQQGC-CABCVRRESA-N 1 1 284.407 2.648 20 70 CFIDMO C[C@H](C[NH2+][C@@H](C)c1cnccn1)N(C)Cc1ccccc1 ZINC000160864157 378804349 /nfs/dbraw/zinc/80/43/49/378804349.db2.gz IPVRAQYKWIQQGC-CABCVRRESA-N 1 1 284.407 2.648 20 70 CFIDMO Cc1ccc(C(=O)CC[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000161030850 378816567 /nfs/dbraw/zinc/81/65/67/378816567.db2.gz CXTCKACKXZJQKI-CVEARBPZSA-N 1 1 275.392 2.661 20 70 CFIDMO CCN1CC[C@H]([NH2+]CCOc2ccccc2C)[C@H](C)C1 ZINC000161329474 378839547 /nfs/dbraw/zinc/83/95/47/378839547.db2.gz HNNBBESTKBSMGP-CVEARBPZSA-N 1 1 276.424 2.694 20 70 CFIDMO CC[N@@H+]1CC[C@H](NCCOc2ccccc2C)[C@H](C)C1 ZINC000161329474 378839558 /nfs/dbraw/zinc/83/95/58/378839558.db2.gz HNNBBESTKBSMGP-CVEARBPZSA-N 1 1 276.424 2.694 20 70 CFIDMO CC[N@H+]1CC[C@H](NCCOc2ccccc2C)[C@H](C)C1 ZINC000161329474 378839568 /nfs/dbraw/zinc/83/95/68/378839568.db2.gz HNNBBESTKBSMGP-CVEARBPZSA-N 1 1 276.424 2.694 20 70 CFIDMO CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160874442 322344396 /nfs/dbraw/zinc/34/43/96/322344396.db2.gz SJPJKMXIBRZJBL-CYBMUJFWSA-N 1 1 281.444 2.881 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(OC)c(F)c1 ZINC000217396254 382786356 /nfs/dbraw/zinc/78/63/56/382786356.db2.gz FZIXGLKLCFIGTO-GFCCVEGCSA-N 1 1 268.376 2.654 20 70 CFIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(OC)c(F)c1 ZINC000217396254 382786358 /nfs/dbraw/zinc/78/63/58/382786358.db2.gz FZIXGLKLCFIGTO-GFCCVEGCSA-N 1 1 268.376 2.654 20 70 CFIDMO CC[C@@H](C)[N@H+](C)CCNCc1ccc(-n2cccn2)cc1 ZINC000217388176 382786405 /nfs/dbraw/zinc/78/64/05/382786405.db2.gz YDHLGMKRIRYGAO-OAHLLOKOSA-N 1 1 286.423 2.692 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(-n2cccn2)cc1 ZINC000217388176 382786408 /nfs/dbraw/zinc/78/64/08/382786408.db2.gz YDHLGMKRIRYGAO-OAHLLOKOSA-N 1 1 286.423 2.692 20 70 CFIDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(O)c1 ZINC000217687449 382787275 /nfs/dbraw/zinc/78/72/75/382787275.db2.gz GGXFZWPPOZNQBR-MAZHCROVSA-N 1 1 260.381 2.670 20 70 CFIDMO CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000218092325 382788691 /nfs/dbraw/zinc/78/86/91/382788691.db2.gz JHWJMEUUEQBQOB-UHFFFAOYSA-N 1 1 259.397 2.988 20 70 CFIDMO CC(C)[N@H+](C)CCCNCc1cccc2[nH]ccc21 ZINC000218092325 382788693 /nfs/dbraw/zinc/78/86/93/382788693.db2.gz JHWJMEUUEQBQOB-UHFFFAOYSA-N 1 1 259.397 2.988 20 70 CFIDMO CC(C)[N@@H+](C)CCCNCc1cccc2[nH]ccc21 ZINC000218092325 382788694 /nfs/dbraw/zinc/78/86/94/382788694.db2.gz JHWJMEUUEQBQOB-UHFFFAOYSA-N 1 1 259.397 2.988 20 70 CFIDMO CC[C@@H](C)[N@H+](C)CCNCc1cccc2cc[nH]c21 ZINC000218184699 382789299 /nfs/dbraw/zinc/78/92/99/382789299.db2.gz URWIUSCOULPDRB-CYBMUJFWSA-N 1 1 259.397 2.988 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cccc2cc[nH]c21 ZINC000218184699 382789300 /nfs/dbraw/zinc/78/93/00/382789300.db2.gz URWIUSCOULPDRB-CYBMUJFWSA-N 1 1 259.397 2.988 20 70 CFIDMO Cc1cccc(OCC[N@H+](C)C[C@H](O)Cc2ccccc2)c1 ZINC000218763841 393758395 /nfs/dbraw/zinc/75/83/95/393758395.db2.gz NFFRCLXXYQUTLR-GOSISDBHSA-N 1 1 299.414 2.909 20 70 CFIDMO Cc1cc(C)cc(CC[NH2+][C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000159476756 322323601 /nfs/dbraw/zinc/32/36/01/322323601.db2.gz UXIDZJVCFPPLTA-DOTOQJQBSA-N 1 1 260.425 2.776 20 70 CFIDMO CCOC(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000159546590 322323897 /nfs/dbraw/zinc/32/38/97/322323897.db2.gz RPNJOCBPCAJTGL-HNNXBMFYSA-N 1 1 259.349 2.701 20 70 CFIDMO CCOC(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000159546590 322323900 /nfs/dbraw/zinc/32/39/00/322323900.db2.gz RPNJOCBPCAJTGL-HNNXBMFYSA-N 1 1 259.349 2.701 20 70 CFIDMO C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1nncn1C ZINC000159974363 322330907 /nfs/dbraw/zinc/33/09/07/322330907.db2.gz FLRDRWFVBJNLGQ-XFFZJAGNSA-N 1 1 276.771 2.662 20 70 CFIDMO CC(C)CCOc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000160348156 322336869 /nfs/dbraw/zinc/33/68/69/322336869.db2.gz WIVOHFCTPANSLF-INIZCTEOSA-N 1 1 290.407 2.561 20 70 CFIDMO CCCCNC(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160393485 322337605 /nfs/dbraw/zinc/33/76/05/322337605.db2.gz IDMWQAUJDUIPIY-INIZCTEOSA-N 1 1 289.423 2.833 20 70 CFIDMO CN(C(=O)C1CCC(C)(C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000160678891 322341008 /nfs/dbraw/zinc/34/10/08/322341008.db2.gz DHUSONYMSBPGGT-AWEZNQCLSA-N 1 1 266.429 2.755 20 70 CFIDMO CC(C)(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000160668850 322341027 /nfs/dbraw/zinc/34/10/27/322341027.db2.gz KXXLXYQYNFECRU-ZDUSSCGKSA-N 1 1 278.440 2.803 20 70 CFIDMO CC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000160679453 322341076 /nfs/dbraw/zinc/34/10/76/322341076.db2.gz ZHWIHTICLHICAO-UHFFFAOYSA-N 1 1 270.380 2.714 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000160795487 322342984 /nfs/dbraw/zinc/34/29/84/322342984.db2.gz JWLSDGDIUFPGND-UONOGXRCSA-N 1 1 275.458 2.710 20 70 CFIDMO CC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160886646 322344580 /nfs/dbraw/zinc/34/45/80/322344580.db2.gz XRQIJSDXZCEYMI-CABCVRRESA-N 1 1 293.455 2.977 20 70 CFIDMO COc1ccccc1N1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000160929372 322344886 /nfs/dbraw/zinc/34/48/86/322344886.db2.gz TYUXHDPFWZILBP-UHFFFAOYSA-N 1 1 297.402 2.721 20 70 CFIDMO CCOc1ccccc1C[N@H+](CC)Cc1cnn(C)c1 ZINC000161090544 322347150 /nfs/dbraw/zinc/34/71/50/322347150.db2.gz LOBNVCYOUACXFZ-UHFFFAOYSA-N 1 1 273.380 2.841 20 70 CFIDMO CCOc1ccccc1C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161090544 322347153 /nfs/dbraw/zinc/34/71/53/322347153.db2.gz LOBNVCYOUACXFZ-UHFFFAOYSA-N 1 1 273.380 2.841 20 70 CFIDMO COc1cccc(C(=O)Cn2c(C)[nH+]c3c2CCCC3)c1 ZINC000216672380 329295626 /nfs/dbraw/zinc/29/56/26/329295626.db2.gz HZDHZDXGFKSFFA-UHFFFAOYSA-N 1 1 284.359 2.962 20 70 CFIDMO C(C[NH+]1CCC(CN2CCOCC2)CC1)C1CCCC1 ZINC000160410574 518386782 /nfs/dbraw/zinc/38/67/82/518386782.db2.gz QGDDBILBQQXTOW-UHFFFAOYSA-N 1 1 280.456 2.611 20 70 CFIDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCC(C)(C)O1 ZINC000160829776 518856427 /nfs/dbraw/zinc/85/64/27/518856427.db2.gz DRHRNBWOYXWZRX-CHWSQXEVSA-N 1 1 283.412 2.750 20 70 CFIDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@H]1CCC(C)(C)O1 ZINC000160829776 518856436 /nfs/dbraw/zinc/85/64/36/518856436.db2.gz DRHRNBWOYXWZRX-CHWSQXEVSA-N 1 1 283.412 2.750 20 70 CFIDMO CCOC[C@H]1CC[N@@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160944336 520179979 /nfs/dbraw/zinc/17/99/79/520179979.db2.gz ULFULOXXCXYAFF-AWEZNQCLSA-N 1 1 273.380 2.501 20 70 CFIDMO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000160280338 520218882 /nfs/dbraw/zinc/21/88/82/520218882.db2.gz FVLUBJLMJPQIHH-ZFWWWQNUSA-N 1 1 276.380 2.515 20 70 CFIDMO CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000160280338 520218887 /nfs/dbraw/zinc/21/88/87/520218887.db2.gz FVLUBJLMJPQIHH-ZFWWWQNUSA-N 1 1 276.380 2.515 20 70 CFIDMO CCCCC[C@@H](C)NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159512468 520283032 /nfs/dbraw/zinc/28/30/32/520283032.db2.gz GWJUHVBWXRJAEY-CQSZACIVSA-N 1 1 269.433 2.692 20 70 CFIDMO CC1=C(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)CCCO1 ZINC000160814382 520793349 /nfs/dbraw/zinc/79/33/49/520793349.db2.gz BOBFXJYAOUTLTQ-ZDUSSCGKSA-N 1 1 292.423 2.546 20 70 CFIDMO CCOc1ccc(CNCC[N@@H+](C)[C@@H](C)CC)cc1 ZINC000217385927 521001395 /nfs/dbraw/zinc/00/13/95/521001395.db2.gz QTBPZDWGEGIULR-AWEZNQCLSA-N 1 1 264.413 2.905 20 70 CFIDMO CCOc1ccc(C[NH2+]CCN(C)[C@@H](C)CC)cc1 ZINC000217385927 521001405 /nfs/dbraw/zinc/00/14/05/521001405.db2.gz QTBPZDWGEGIULR-AWEZNQCLSA-N 1 1 264.413 2.905 20 70 CFIDMO CCC[N@@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000159781218 521500349 /nfs/dbraw/zinc/50/03/49/521500349.db2.gz PLPTVWWCHDAJIO-UHFFFAOYSA-N 1 1 261.325 2.587 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)CCC(C)C)CC1 ZINC000159514406 521608185 /nfs/dbraw/zinc/60/81/85/521608185.db2.gz LAVXDAIMJLUBGY-AWEZNQCLSA-N 1 1 269.433 2.548 20 70 CFIDMO CCc1nnc(C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)[nH]1 ZINC000160473000 522345764 /nfs/dbraw/zinc/34/57/64/522345764.db2.gz AFROSMHCXUPNKG-NSHDSACASA-N 1 1 276.359 2.974 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNCc1cc(OC)ccc1OC ZINC000217383055 523921723 /nfs/dbraw/zinc/92/17/23/523921723.db2.gz GHBBJNHXSKGGBY-ZDUSSCGKSA-N 1 1 280.412 2.524 20 70 CFIDMO Cc1cccc(C)c1C[NH2+]Cc1nnc2ccccn21 ZINC000160413125 524261588 /nfs/dbraw/zinc/26/15/88/524261588.db2.gz DOFIANJEUVAWHL-UHFFFAOYSA-N 1 1 266.348 2.636 20 70 CFIDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c2ccccc2n1 ZINC000159398029 524703002 /nfs/dbraw/zinc/70/30/02/524703002.db2.gz FRVRENSSHHKMOF-SJKOYZFVSA-N 1 1 270.376 2.746 20 70 CFIDMO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COCC(C)C)n1 ZINC000160111311 524850991 /nfs/dbraw/zinc/85/09/91/524850991.db2.gz GZYOVYZHTVKBKN-RDJZCZTQSA-N 1 1 292.423 2.560 20 70 CFIDMO C[C@@H]1C[N@H+](CCCC(=O)c2ccc(F)cc2)[C@@H](C)CO1 ZINC000218349247 524943127 /nfs/dbraw/zinc/94/31/27/524943127.db2.gz NVOVVUSAVLORQI-QWHCGFSZSA-N 1 1 279.355 2.898 20 70 CFIDMO C[C@@H]1C[N@@H+](CCCC(=O)c2ccc(F)cc2)[C@@H](C)CO1 ZINC000218349247 524943134 /nfs/dbraw/zinc/94/31/34/524943134.db2.gz NVOVVUSAVLORQI-QWHCGFSZSA-N 1 1 279.355 2.898 20 70 CFIDMO C[C@@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)CCN1C ZINC000159748612 525435527 /nfs/dbraw/zinc/43/55/27/525435527.db2.gz ZTNZXYILJZQUFA-CZUORRHYSA-N 1 1 264.388 2.831 20 70 CFIDMO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159504797 528435796 /nfs/dbraw/zinc/43/57/96/528435796.db2.gz JIZXNCVGTNDZRO-UWVGGRQHSA-N 1 1 270.323 2.530 20 70 CFIDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(CCOC)CC1 ZINC000161183149 528469088 /nfs/dbraw/zinc/46/90/88/528469088.db2.gz HNKIDYQNVSOSSS-HNNXBMFYSA-N 1 1 296.455 2.574 20 70 CFIDMO CC[N@H+]1CCC[C@H]1CNC(=O)CCCc1sccc1C ZINC000159906834 529102948 /nfs/dbraw/zinc/10/29/48/529102948.db2.gz HHWGONFXCIPHQZ-AWEZNQCLSA-N 1 1 294.464 2.980 20 70 CFIDMO Cc1nc2ccccn2c1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000160501881 282091315 /nfs/dbraw/zinc/09/13/15/282091315.db2.gz GGZKXPZOXLXOPQ-STQMWFEESA-N 1 1 275.421 2.969 20 70 CFIDMO Cc1noc(C)c1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159397865 282384542 /nfs/dbraw/zinc/38/45/42/282384542.db2.gz KMHOGAGABGCWLT-SFHVURJKSA-N 1 1 298.386 2.965 20 70 CFIDMO Cc1noc(C)c1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159397865 282384543 /nfs/dbraw/zinc/38/45/43/282384543.db2.gz KMHOGAGABGCWLT-SFHVURJKSA-N 1 1 298.386 2.965 20 70 CFIDMO Cc1cnc(C[N@@H+](CCc2nccs2)C(C)C)o1 ZINC000159883467 232246657 /nfs/dbraw/zinc/24/66/57/232246657.db2.gz DFSFGCYKVOISJE-UHFFFAOYSA-N 1 1 265.382 2.893 20 70 CFIDMO Cc1cnc(C[N@H+](CCc2nccs2)C(C)C)o1 ZINC000159883467 232246659 /nfs/dbraw/zinc/24/66/59/232246659.db2.gz DFSFGCYKVOISJE-UHFFFAOYSA-N 1 1 265.382 2.893 20 70 CFIDMO Cc1csc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000159693364 348014531 /nfs/dbraw/zinc/01/45/31/348014531.db2.gz GXQBPWDPAXQMCA-RYUDHWBXSA-N 1 1 279.409 2.655 20 70 CFIDMO COc1ccc(C[NH2+]Cc2ccc(C)o2)cc1NC(C)=O ZINC000159987006 348014965 /nfs/dbraw/zinc/01/49/65/348014965.db2.gz IURHKKMKKRCFRX-UHFFFAOYSA-N 1 1 288.347 2.845 20 70 CFIDMO CC[N@@H+](CCNC(=O)[C@@H](C)c1ccsc1)C(C)C ZINC000160178065 348016192 /nfs/dbraw/zinc/01/61/92/348016192.db2.gz RRIQOIINJFEHIL-LBPRGKRZSA-N 1 1 268.426 2.698 20 70 CFIDMO COc1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1Cl ZINC000160685407 188486599 /nfs/dbraw/zinc/48/65/99/188486599.db2.gz HDFNFLIEPPDYOS-GFCCVEGCSA-N 1 1 269.772 2.817 20 70 CFIDMO COc1ccc(Cl)cc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000160988367 188501778 /nfs/dbraw/zinc/50/17/78/188501778.db2.gz LPGLBUBMHSZROS-JTQLQIEISA-N 1 1 284.787 2.524 20 70 CFIDMO CCCn1nccc1C[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000160113270 540668432 /nfs/dbraw/zinc/66/84/32/540668432.db2.gz FCZKKDZPKGZXHY-WBVHZDCISA-N 1 1 292.471 2.893 20 70 CFIDMO CCC(C)(CC)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000159494903 540996474 /nfs/dbraw/zinc/99/64/74/540996474.db2.gz XQJIEEXZKPVZFY-UONOGXRCSA-N 1 1 266.429 2.755 20 70 CFIDMO C[C@@H](N)C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000218302505 541028547 /nfs/dbraw/zinc/02/85/47/541028547.db2.gz PDWUBLPQWIGEEV-NXEZZACHSA-N 1 1 260.303 2.573 20 70 CFIDMO CCc1cc(=O)[nH]c(C[N@@H+](CCC(C)C)C2CC2)n1 ZINC000160757495 541470471 /nfs/dbraw/zinc/47/04/71/541470471.db2.gz GHCBQLZKYATYQM-UHFFFAOYSA-N 1 1 263.385 2.755 20 70 CFIDMO CS(=O)(=O)CCCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000161328348 541586158 /nfs/dbraw/zinc/58/61/58/541586158.db2.gz OHLMOPFLTSHXIW-MRXNPFEDSA-N 1 1 295.448 2.518 20 70 CFIDMO C[C@@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000217458230 296134709 /nfs/dbraw/zinc/13/47/09/296134709.db2.gz MIBUEBPPMPDQPD-FMKPAKJESA-N 1 1 278.444 2.581 20 70 CFIDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCn1ccnc1 ZINC000159837624 378734487 /nfs/dbraw/zinc/73/44/87/378734487.db2.gz NPVJFFULTYRVHH-HIFRSBDPSA-N 1 1 273.355 2.900 20 70 CFIDMO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159534225 378715231 /nfs/dbraw/zinc/71/52/31/378715231.db2.gz NITTZVMLKRPZSJ-QWRGUYRKSA-N 1 1 284.350 2.872 20 70 CFIDMO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159534456 378715621 /nfs/dbraw/zinc/71/56/21/378715621.db2.gz NITTZVMLKRPZSJ-MNOVXSKESA-N 1 1 284.350 2.872 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)NCc2ccc(C)cc2C)CC1 ZINC000159703273 378724574 /nfs/dbraw/zinc/72/45/74/378724574.db2.gz PUOGSGGPTBUTGE-UHFFFAOYSA-N 1 1 289.423 2.541 20 70 CFIDMO CCc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(C)[nH+]1 ZINC000160383749 378769014 /nfs/dbraw/zinc/76/90/14/378769014.db2.gz IHDHITZAVSNTGC-KBPBESRZSA-N 1 1 261.369 2.717 20 70 CFIDMO CCc1cc(=O)[nH]c(C[N@@H+](CC)Cc2ccccc2)n1 ZINC000160491937 378776414 /nfs/dbraw/zinc/77/64/14/378776414.db2.gz DQUFISAEUBGVOW-UHFFFAOYSA-N 1 1 271.364 2.767 20 70 CFIDMO CCc1cc(=O)[nH]c(C[N@H+](CC)Cc2ccccc2)n1 ZINC000160491937 378776422 /nfs/dbraw/zinc/77/64/22/378776422.db2.gz DQUFISAEUBGVOW-UHFFFAOYSA-N 1 1 271.364 2.767 20 70 CFIDMO CN(C)c1cc[nH+]c(N[C@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000160660605 378789504 /nfs/dbraw/zinc/78/95/04/378789504.db2.gz XOVQQALBXJXSRF-GJZGRUSLSA-N 1 1 298.390 2.875 20 70 CFIDMO CC[C@H]([NH2+]CC(=O)NC(C)C)c1ccc(F)cc1F ZINC000160668763 378789537 /nfs/dbraw/zinc/78/95/37/378789537.db2.gz WFAVKBFVMJHRJP-ZDUSSCGKSA-N 1 1 270.323 2.530 20 70 CFIDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160773846 378798250 /nfs/dbraw/zinc/79/82/50/378798250.db2.gz LDQRCWZABSOUOI-XYVMCAHJSA-N 1 1 290.451 2.819 20 70 CFIDMO COC(C[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1)OC ZINC000161271147 378834800 /nfs/dbraw/zinc/83/48/00/378834800.db2.gz LRHPOJPLFVQBHN-BXUZGUMPSA-N 1 1 267.344 2.828 20 70 CFIDMO CC[N@@H+](CCCS(=O)(=O)C(C)C)CCc1ccccc1 ZINC000160878001 378805435 /nfs/dbraw/zinc/80/54/35/378805435.db2.gz SDRXOJWYNIQODN-UHFFFAOYSA-N 1 1 297.464 2.764 20 70 CFIDMO Cc1ccc(C(=O)CC[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000161272086 378835457 /nfs/dbraw/zinc/83/54/57/378835457.db2.gz LIFZPJSPXHFDHA-MRXNPFEDSA-N 1 1 273.376 2.679 20 70 CFIDMO Cc1ccc(C(=O)CC[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000161272086 378835464 /nfs/dbraw/zinc/83/54/64/378835464.db2.gz LIFZPJSPXHFDHA-MRXNPFEDSA-N 1 1 273.376 2.679 20 70 CFIDMO Cn1nccc1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000161160141 378828049 /nfs/dbraw/zinc/82/80/49/378828049.db2.gz DOBKAMAPLVELTI-UHFFFAOYSA-N 1 1 279.771 2.584 20 70 CFIDMO Cn1nccc1C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000161160141 378828054 /nfs/dbraw/zinc/82/80/54/378828054.db2.gz DOBKAMAPLVELTI-UHFFFAOYSA-N 1 1 279.771 2.584 20 70 CFIDMO C[NH+]1CCC(N[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000161444215 378847229 /nfs/dbraw/zinc/84/72/29/378847229.db2.gz KIAIWHLRHOPAOC-HNNXBMFYSA-N 1 1 278.371 2.723 20 70 CFIDMO Cc1nccc(NC[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000161296284 378838029 /nfs/dbraw/zinc/83/80/29/378838029.db2.gz GXRSNLWUPORWPC-CQSZACIVSA-N 1 1 262.401 2.565 20 70 CFIDMO CC[C@@H](C)[N@H+](C)CCNCc1ccc(-n2ccnc2)cc1 ZINC000217374104 382786208 /nfs/dbraw/zinc/78/62/08/382786208.db2.gz FUBFZYGBADIELY-OAHLLOKOSA-N 1 1 286.423 2.692 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(-n2ccnc2)cc1 ZINC000217374104 382786211 /nfs/dbraw/zinc/78/62/11/382786211.db2.gz FUBFZYGBADIELY-OAHLLOKOSA-N 1 1 286.423 2.692 20 70 CFIDMO Fc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000217646577 382787637 /nfs/dbraw/zinc/78/76/37/382787637.db2.gz XANZZVOGYYUKGA-GJZGRUSLSA-N 1 1 266.335 2.681 20 70 CFIDMO C[C@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160974573 394366916 /nfs/dbraw/zinc/36/69/16/394366916.db2.gz VLLLFZPGHBUGSS-QRTARXTBSA-N 1 1 258.409 2.646 20 70 CFIDMO C[C@@H](CN[C@H]1CCCc2ccc(O)cc21)[N@H+](C)C1CC1 ZINC000217560219 274225807 /nfs/dbraw/zinc/22/58/07/274225807.db2.gz PRAKNHIEYHHTJA-SJCJKPOMSA-N 1 1 274.408 2.842 20 70 CFIDMO C[C@@H](CN[C@H]1CCCc2ccc(O)cc21)[N@@H+](C)C1CC1 ZINC000217560219 274225809 /nfs/dbraw/zinc/22/58/09/274225809.db2.gz PRAKNHIEYHHTJA-SJCJKPOMSA-N 1 1 274.408 2.842 20 70 CFIDMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O)c(Cl)c1 ZINC000159565611 280393120 /nfs/dbraw/zinc/39/31/20/280393120.db2.gz WBQUCSRBZXAFRY-VXGBXAGGSA-N 1 1 298.814 2.596 20 70 CFIDMO CCOC(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000159546458 322323929 /nfs/dbraw/zinc/32/39/29/322323929.db2.gz RPNJOCBPCAJTGL-OAHLLOKOSA-N 1 1 259.349 2.701 20 70 CFIDMO CCOC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000159546458 322323931 /nfs/dbraw/zinc/32/39/31/322323931.db2.gz RPNJOCBPCAJTGL-OAHLLOKOSA-N 1 1 259.349 2.701 20 70 CFIDMO C[N@@H+]1CCN(C(=O)C2=CCCC2)[C@@H](c2ccccc2)C1 ZINC000159785534 322327959 /nfs/dbraw/zinc/32/79/59/322327959.db2.gz HNWIYLJZXRJNDY-MRXNPFEDSA-N 1 1 270.376 2.612 20 70 CFIDMO C[N@H+]1CCN(C(=O)C2=CCCC2)[C@@H](c2ccccc2)C1 ZINC000159785534 322327962 /nfs/dbraw/zinc/32/79/62/322327962.db2.gz HNWIYLJZXRJNDY-MRXNPFEDSA-N 1 1 270.376 2.612 20 70 CFIDMO CC(C)[N@H+](CCc1nccs1)CC(=O)c1cccn1C ZINC000159795917 322328720 /nfs/dbraw/zinc/32/87/20/322328720.db2.gz BPYOVQMYGZJTLP-UHFFFAOYSA-N 1 1 291.420 2.617 20 70 CFIDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)c1cccn1C ZINC000159795917 322328722 /nfs/dbraw/zinc/32/87/22/322328722.db2.gz BPYOVQMYGZJTLP-UHFFFAOYSA-N 1 1 291.420 2.617 20 70 CFIDMO CCCC[N@@H+](C)CCNC(=O)N[C@H](CC)c1nccs1 ZINC000159812640 322328827 /nfs/dbraw/zinc/32/88/27/322328827.db2.gz WMCPLSLJUDPJNO-GFCCVEGCSA-N 1 1 298.456 2.625 20 70 CFIDMO Cc1cccc([C@H]2CCC[N@H+]2CCOCC2CC2)n1 ZINC000160241152 322335090 /nfs/dbraw/zinc/33/50/90/322335090.db2.gz OODFEBGCQCCXIL-MRXNPFEDSA-N 1 1 260.381 2.954 20 70 CFIDMO CCc1ccc([C@@H]([NH2+]Cc2nncn2C)C(C)C)cc1 ZINC000160710570 322341697 /nfs/dbraw/zinc/34/16/97/322341697.db2.gz JOFUTNOGUPLYQH-INIZCTEOSA-N 1 1 272.396 2.864 20 70 CFIDMO CCC[N@@H+](CCO)Cc1cccc(OC)c1OC(C)C ZINC000161222861 322349283 /nfs/dbraw/zinc/34/92/83/322349283.db2.gz VCZQCFALDMEGGK-UHFFFAOYSA-N 1 1 281.396 2.687 20 70 CFIDMO CC(C)(C(=O)N1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000161409296 322351399 /nfs/dbraw/zinc/35/13/99/322351399.db2.gz LPYGJKMUIYXNDL-UHFFFAOYSA-N 1 1 264.413 2.509 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cnc(N(CC)CC)s1 ZINC000217397590 522059059 /nfs/dbraw/zinc/05/90/59/522059059.db2.gz WQBYOBQEEHTLKW-CYBMUJFWSA-N 1 1 298.500 2.809 20 70 CFIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1cnc(N(CC)CC)s1 ZINC000217397590 522059067 /nfs/dbraw/zinc/05/90/67/522059067.db2.gz WQBYOBQEEHTLKW-CYBMUJFWSA-N 1 1 298.500 2.809 20 70 CFIDMO CC(C)CC[C@](C)(O)C[NH2+]C1CCN(C(C)C)CC1 ZINC000159431230 519696107 /nfs/dbraw/zinc/69/61/07/519696107.db2.gz CRQIGNLGJIQVOB-INIZCTEOSA-N 1 1 270.461 2.636 20 70 CFIDMO CCOC[C@@H]1CC[N@@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160944214 520132440 /nfs/dbraw/zinc/13/24/40/520132440.db2.gz ULFULOXXCXYAFF-CQSZACIVSA-N 1 1 273.380 2.501 20 70 CFIDMO CCCCCNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160017677 520194282 /nfs/dbraw/zinc/19/42/82/520194282.db2.gz IYXZSZLWSLBRBZ-INIZCTEOSA-N 1 1 289.423 2.833 20 70 CFIDMO CCCCCNC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160017677 520194286 /nfs/dbraw/zinc/19/42/86/520194286.db2.gz IYXZSZLWSLBRBZ-INIZCTEOSA-N 1 1 289.423 2.833 20 70 CFIDMO CCOC(=O)CCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159842851 520640351 /nfs/dbraw/zinc/64/03/51/520640351.db2.gz SRJPWMWQYZRYGX-HNNXBMFYSA-N 1 1 276.380 2.870 20 70 CFIDMO CCC(CC)c1cc(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)on1 ZINC000161317725 521630435 /nfs/dbraw/zinc/63/04/35/521630435.db2.gz REUIOAFLRUYHOH-LBPRGKRZSA-N 1 1 293.411 2.650 20 70 CFIDMO CCc1nc(C)c([C@H](C)NC2CC[NH+](C)CC2)s1 ZINC000161421012 522232200 /nfs/dbraw/zinc/23/22/00/522232200.db2.gz PKKRFFVEZNGYPW-JTQLQIEISA-N 1 1 267.442 2.759 20 70 CFIDMO COc1cc(C)[nH+]c(Cn2ccc(C(F)(F)F)n2)c1 ZINC000160974055 522294573 /nfs/dbraw/zinc/29/45/73/522294573.db2.gz BYVQCFJKOQIJEW-UHFFFAOYSA-N 1 1 271.242 2.662 20 70 CFIDMO CCc1nnc(C[N@H+]2CCC[C@@H]2C(C)(C)CC)[nH]1 ZINC000159450090 522305012 /nfs/dbraw/zinc/30/50/12/522305012.db2.gz QWHZNBZVZZIHDE-LLVKDONJSA-N 1 1 250.390 2.768 20 70 CFIDMO CCc1nnc(C[NH2+]C2(c3ccccc3)CCCC2)[nH]1 ZINC000160434886 522341102 /nfs/dbraw/zinc/34/11/02/522341102.db2.gz ZMVYWANZZKQMGF-UHFFFAOYSA-N 1 1 270.380 2.926 20 70 CFIDMO CCc1nnc(C[NH2+][C@H](c2ccccc2)C2CC2)[nH]1 ZINC000160541312 522355407 /nfs/dbraw/zinc/35/54/07/522355407.db2.gz KJRUCSTVQQYGBP-OAHLLOKOSA-N 1 1 256.353 2.608 20 70 CFIDMO CC[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000161424081 523060996 /nfs/dbraw/zinc/06/09/96/523060996.db2.gz CLNQCFCPXZOYGL-YESZJQIVSA-N 1 1 282.472 2.638 20 70 CFIDMO COC(=O)CC[N@@H+](CCC(=O)c1ccc(C)cc1)C(C)C ZINC000159664877 523066926 /nfs/dbraw/zinc/06/69/26/523066926.db2.gz IRQLSUPVHFTNKQ-UHFFFAOYSA-N 1 1 291.391 2.841 20 70 CFIDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1nc(C(C)(C)C)ns1 ZINC000159508516 523118249 /nfs/dbraw/zinc/11/82/49/523118249.db2.gz NAEJDMPQUQRPLH-NSHDSACASA-N 1 1 282.457 2.614 20 70 CFIDMO CCn1cc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cn1 ZINC000160852171 523472520 /nfs/dbraw/zinc/47/25/20/523472520.db2.gz DARIWUUBTVDLBL-AWEZNQCLSA-N 1 1 286.423 2.815 20 70 CFIDMO CCc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217645919 523945882 /nfs/dbraw/zinc/94/58/82/523945882.db2.gz ZXEXMQCXIRROAI-SJORKVTESA-N 1 1 258.409 2.965 20 70 CFIDMO CCc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217645919 523945887 /nfs/dbraw/zinc/94/58/87/523945887.db2.gz ZXEXMQCXIRROAI-SJORKVTESA-N 1 1 258.409 2.965 20 70 CFIDMO Cc1ccc(C[N@H+](C)CCN(C)c2ccccc2)nc1 ZINC000160087251 524390498 /nfs/dbraw/zinc/39/04/98/524390498.db2.gz SBENXPMVGDIWMU-UHFFFAOYSA-N 1 1 269.392 2.958 20 70 CFIDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159770226 524894554 /nfs/dbraw/zinc/89/45/54/524894554.db2.gz SKFLNJZNTLEZSI-CJNGLKHVSA-N 1 1 264.388 2.688 20 70 CFIDMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161409724 525139534 /nfs/dbraw/zinc/13/95/34/525139534.db2.gz AGYHCUCITJGUBI-MRXNPFEDSA-N 1 1 296.418 2.912 20 70 CFIDMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc(C(C)C)n1 ZINC000217360934 525296317 /nfs/dbraw/zinc/29/63/17/525296317.db2.gz OLWNAKRSVLWRQE-KGLIPLIRSA-N 1 1 274.412 2.947 20 70 CFIDMO Cc1cc(-c2nnc(C[N@@H+]3CCCSCC3)o2)c(C)o1 ZINC000161485204 526056769 /nfs/dbraw/zinc/05/67/69/526056769.db2.gz NCQUENQVXOPFOP-UHFFFAOYSA-N 1 1 293.392 2.885 20 70 CFIDMO Cc1cc(-c2nnc(C[N@H+]3CCCSCC3)o2)c(C)o1 ZINC000161485204 526056774 /nfs/dbraw/zinc/05/67/74/526056774.db2.gz NCQUENQVXOPFOP-UHFFFAOYSA-N 1 1 293.392 2.885 20 70 CFIDMO C(CN1CCCCC1)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000161451402 527482604 /nfs/dbraw/zinc/48/26/04/527482604.db2.gz RREYUWXHEOGZOB-HZPDHXFCSA-N 1 1 250.430 2.984 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000159510738 529028933 /nfs/dbraw/zinc/02/89/33/529028933.db2.gz RGKITKSMTOIPRJ-OAHLLOKOSA-N 1 1 283.460 2.938 20 70 CFIDMO CCSCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000159458171 529179187 /nfs/dbraw/zinc/17/91/87/529179187.db2.gz ACOXBFPQDUGRCN-UHFFFAOYSA-N 1 1 264.438 2.952 20 70 CFIDMO c1coc(C[N@@H+](CCOCC2CC2)C[C@@H]2CCCO2)c1 ZINC000159583851 232245044 /nfs/dbraw/zinc/24/50/44/232245044.db2.gz JLNDAQAYPWRTRH-INIZCTEOSA-N 1 1 279.380 2.687 20 70 CFIDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOCC1CC1 ZINC000160376928 232248245 /nfs/dbraw/zinc/24/82/45/232248245.db2.gz GOXRUPLZWGVDAS-RHSMWYFYSA-N 1 1 275.392 2.875 20 70 CFIDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOCC1CC1 ZINC000160376928 232248246 /nfs/dbraw/zinc/24/82/46/232248246.db2.gz GOXRUPLZWGVDAS-RHSMWYFYSA-N 1 1 275.392 2.875 20 70 CFIDMO CC[N@@H+](CCNC(=O)[C@H](C)Cc1ccccc1F)C(C)C ZINC000160177206 348015761 /nfs/dbraw/zinc/01/57/61/348015761.db2.gz QOOTYQPHKUJZPR-CQSZACIVSA-N 1 1 294.414 2.851 20 70 CFIDMO c1cnc2c(c1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217739296 539665032 /nfs/dbraw/zinc/66/50/32/539665032.db2.gz OAKIMWVKCOQFNH-JYJNAYRXSA-N 1 1 271.408 2.675 20 70 CFIDMO c1cnc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217739296 539665035 /nfs/dbraw/zinc/66/50/35/539665035.db2.gz OAKIMWVKCOQFNH-JYJNAYRXSA-N 1 1 271.408 2.675 20 70 CFIDMO CCCn1nccc1CNCCC[N@H+]1CCCC[C@H]1C ZINC000159962150 540666418 /nfs/dbraw/zinc/66/64/18/540666418.db2.gz HINSGKPYCSMEJV-OAHLLOKOSA-N 1 1 278.444 2.647 20 70 CFIDMO Cc1[nH+]c2c(n1Cc1nc(C(C)C)no1)CCCC2 ZINC000160728828 540677852 /nfs/dbraw/zinc/67/78/52/540677852.db2.gz ODBTYOVIYWDFAR-UHFFFAOYSA-N 1 1 260.341 2.625 20 70 CFIDMO Cc1nccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1Cl ZINC000159483711 540995112 /nfs/dbraw/zinc/99/51/12/540995112.db2.gz LTNPGPJSWILLCG-NSHDSACASA-N 1 1 296.802 2.507 20 70 CFIDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000160038652 541020724 /nfs/dbraw/zinc/02/07/24/541020724.db2.gz LOSCXLQPYVFLMR-ZYHUDNBSSA-N 1 1 252.333 2.729 20 70 CFIDMO CC1(C)CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160144690 541022038 /nfs/dbraw/zinc/02/20/38/541022038.db2.gz QLOFLBOJCYMFMN-OAHLLOKOSA-N 1 1 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CC[C@@H]1C[N@@H+](Cc2c(C)nc3ccccn32)C[C@H](C)O1 ZINC000160345507 322337029 /nfs/dbraw/zinc/33/70/29/322337029.db2.gz FGFJTFCMFVEWLY-GXTWGEPZSA-N 1 1 273.380 2.642 20 70 CFIDMO CCc1cc(=O)[nH]c(C[N@@H+](C)C2CCC(C)CC2)n1 ZINC000160561117 322339403 /nfs/dbraw/zinc/33/94/03/322339403.db2.gz NFTMSDAVOGVMCU-UHFFFAOYSA-N 1 1 263.385 2.755 20 70 CFIDMO C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000160680606 322341156 /nfs/dbraw/zinc/34/11/56/322341156.db2.gz GQLJBGWLLRKTNP-ZDUSSCGKSA-N 1 1 270.380 2.857 20 70 CFIDMO C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000160680606 322341158 /nfs/dbraw/zinc/34/11/58/322341158.db2.gz GQLJBGWLLRKTNP-ZDUSSCGKSA-N 1 1 270.380 2.857 20 70 CFIDMO CC[N@@H+](CCCS(=O)(=O)C(C)C)C1CCCCC1 ZINC000160764495 322342916 /nfs/dbraw/zinc/34/29/16/322342916.db2.gz GHQITAVQUFPRSP-UHFFFAOYSA-N 1 1 275.458 2.854 20 70 CFIDMO CCC[N@H+](Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161092501 322346954 /nfs/dbraw/zinc/34/69/54/322346954.db2.gz MLFBAUUISWSWQY-CQSZACIVSA-N 1 1 299.411 2.533 20 70 CFIDMO CCC[N@@H+](Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161092501 322346956 /nfs/dbraw/zinc/34/69/56/322346956.db2.gz MLFBAUUISWSWQY-CQSZACIVSA-N 1 1 299.411 2.533 20 70 CFIDMO CCC[N@@H+](CCO)Cc1ccc(OCC(C)C)cc1 ZINC000161210820 322348694 /nfs/dbraw/zinc/34/86/94/322348694.db2.gz FEDJWLAGVFEFSQ-UHFFFAOYSA-N 1 1 265.397 2.926 20 70 CFIDMO CC(C)[N@@H+](CCc1nccs1)C[C@H]1CCCO1 ZINC000159873623 519651356 /nfs/dbraw/zinc/65/13/56/519651356.db2.gz SUDPLNOSACADDG-GFCCVEGCSA-N 1 1 254.399 2.575 20 70 CFIDMO CCOC(=O)C[N@H+](CCCc1cccc(OC)c1)C1CC1 ZINC000159604128 520760351 /nfs/dbraw/zinc/76/03/51/520760351.db2.gz HQCLLEUFJHBRED-UHFFFAOYSA-N 1 1 291.391 2.655 20 70 CFIDMO CCOC(=O)C[N@@H+](CCCc1cccc(OC)c1)C1CC1 ZINC000159604128 520760362 /nfs/dbraw/zinc/76/03/62/520760362.db2.gz HQCLLEUFJHBRED-UHFFFAOYSA-N 1 1 291.391 2.655 20 70 CFIDMO CCCCSCCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000159894775 520951353 /nfs/dbraw/zinc/95/13/53/520951353.db2.gz MYZGDMIEIBFPFE-CQSZACIVSA-N 1 1 286.485 2.900 20 70 CFIDMO CC[N@H+](Cc1cnc2ccccn12)Cc1ccccn1 ZINC000161437804 521435277 /nfs/dbraw/zinc/43/52/77/521435277.db2.gz MUTRWFMMERXMNB-UHFFFAOYSA-N 1 1 266.348 2.751 20 70 CFIDMO CC[N@@H+](Cc1cnc2ccccn12)Cc1ccccn1 ZINC000161437804 521435284 /nfs/dbraw/zinc/43/52/84/521435284.db2.gz MUTRWFMMERXMNB-UHFFFAOYSA-N 1 1 266.348 2.751 20 70 CFIDMO CC[C@H](C)c1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)on1 ZINC000160581856 522029173 /nfs/dbraw/zinc/02/91/73/522029173.db2.gz OYRLICWMAUMBPR-STQMWFEESA-N 1 1 293.411 2.792 20 70 CFIDMO CCc1nnc(C[N@H+]2CCC[C@H]2C(C)(C)CC)[nH]1 ZINC000159450236 522308585 /nfs/dbraw/zinc/30/85/85/522308585.db2.gz QWHZNBZVZZIHDE-NSHDSACASA-N 1 1 250.390 2.768 20 70 CFIDMO COC(C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1)OC ZINC000161255200 522532911 /nfs/dbraw/zinc/53/29/11/522532911.db2.gz LCKNAHKVQZQYDN-HIFRSBDPSA-N 1 1 263.381 2.731 20 70 CFIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(Cl)c1F ZINC000159675219 524390090 /nfs/dbraw/zinc/39/00/90/524390090.db2.gz NDXKTWWISKPUCK-ONGXEEELSA-N 1 1 284.762 2.565 20 70 CFIDMO Cc1ccc(C[N@H+](CCC2CCCCC2)CC(N)=O)nc1 ZINC000159866894 524404979 /nfs/dbraw/zinc/40/49/79/524404979.db2.gz WFCFGFLIBQTJTL-UHFFFAOYSA-N 1 1 289.423 2.648 20 70 CFIDMO Cc1ccc(C[N@@H+](CCC2CCCCC2)CC(N)=O)nc1 ZINC000159866894 524404988 /nfs/dbraw/zinc/40/49/88/524404988.db2.gz WFCFGFLIBQTJTL-UHFFFAOYSA-N 1 1 289.423 2.648 20 70 CFIDMO Cc1cc(C)cc(OCCC[N@H+](C)[C@@H](CN)C2CC2)c1 ZINC000159977905 524442600 /nfs/dbraw/zinc/44/26/00/524442600.db2.gz WIFRWEZMEBYWQG-KRWDZBQOSA-N 1 1 276.424 2.741 20 70 CFIDMO Cc1cc(C)cc(OCCCN(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159977905 524442607 /nfs/dbraw/zinc/44/26/07/524442607.db2.gz WIFRWEZMEBYWQG-KRWDZBQOSA-N 1 1 276.424 2.741 20 70 CFIDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc(C(C)(C)C)ns1 ZINC000159860836 524560119 /nfs/dbraw/zinc/56/01/19/524560119.db2.gz RJMZSMQZZUPTIL-QWRGUYRKSA-N 1 1 282.457 2.612 20 70 CFIDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nc(C(C)(C)C)ns1 ZINC000159475038 524687224 /nfs/dbraw/zinc/68/72/24/524687224.db2.gz DMIXABLNBZWOHH-WDEREUQCSA-N 1 1 280.441 2.509 20 70 CFIDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc(C(N)=O)c2)n1 ZINC000159879192 524894952 /nfs/dbraw/zinc/89/49/52/524894952.db2.gz HXGBXHOUZWSKAK-QGZVFWFLSA-N 1 1 295.386 2.826 20 70 CFIDMO C[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ns2)C[N@H+]1C1CC1 ZINC000159912624 525276428 /nfs/dbraw/zinc/27/64/28/525276428.db2.gz VCNRIBBZJXHWJA-NXEZZACHSA-N 1 1 280.441 2.873 20 70 CFIDMO C[C@H](O)C[N@H+](C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000159528624 525743159 /nfs/dbraw/zinc/74/31/59/525743159.db2.gz MEFJTAVOLHTCIH-UWVGGRQHSA-N 1 1 295.770 2.764 20 70 CFIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000159528624 525743165 /nfs/dbraw/zinc/74/31/65/525743165.db2.gz MEFJTAVOLHTCIH-UWVGGRQHSA-N 1 1 295.770 2.764 20 70 CFIDMO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1ccco1)N1CCCC1 ZINC000159933136 526448136 /nfs/dbraw/zinc/44/81/36/526448136.db2.gz IQKJMJPOJIQQKH-QGZVFWFLSA-N 1 1 298.386 2.603 20 70 CFIDMO c1cc2cccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2[nH]1 ZINC000218114192 526449492 /nfs/dbraw/zinc/44/94/92/526449492.db2.gz VQVAROVVPDZSND-JKSUJKDBSA-N 1 1 269.392 2.884 20 70 CFIDMO c1cc2cccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2[nH]1 ZINC000218114192 526449495 /nfs/dbraw/zinc/44/94/95/526449495.db2.gz VQVAROVVPDZSND-JKSUJKDBSA-N 1 1 269.392 2.884 20 70 CFIDMO c1ccc2c(c1)CC[C@]21C[N@H+](Cc2cccnc2)CCO1 ZINC000159440346 526507331 /nfs/dbraw/zinc/50/73/31/526507331.db2.gz NQYMFJYXZGURCB-SFHVURJKSA-N 1 1 280.371 2.756 20 70 CFIDMO c1ccc2c(c1)CC[C@]21C[N@@H+](Cc2cccnc2)CCO1 ZINC000159440346 526507337 /nfs/dbraw/zinc/50/73/37/526507337.db2.gz NQYMFJYXZGURCB-SFHVURJKSA-N 1 1 280.371 2.756 20 70 CFIDMO c1coc(C[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000159956492 526567961 /nfs/dbraw/zinc/56/79/61/526567961.db2.gz OOEKQEKPOMHUSI-UHFFFAOYSA-N 1 1 258.321 2.753 20 70 CFIDMO C(CN1CCCCC1)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000161451275 527482352 /nfs/dbraw/zinc/48/23/52/527482352.db2.gz RREYUWXHEOGZOB-IYBDPMFKSA-N 1 1 250.430 2.984 20 70 CFIDMO C(CN1CCCCC1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000161451275 527482355 /nfs/dbraw/zinc/48/23/55/527482355.db2.gz RREYUWXHEOGZOB-IYBDPMFKSA-N 1 1 250.430 2.984 20 70 CFIDMO CC1CC[NH+](CCNCc2cc(F)cc(F)c2)CC1 ZINC000160090434 528247194 /nfs/dbraw/zinc/24/71/94/528247194.db2.gz XFQXLRRRGPFADM-UHFFFAOYSA-N 1 1 268.351 2.786 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@H+](C)[C@H](C)c1cccs1 ZINC000160879733 528295604 /nfs/dbraw/zinc/29/56/04/528295604.db2.gz ZCLOLEBAKBGSBQ-GFCCVEGCSA-N 1 1 289.466 2.954 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000160879733 528295608 /nfs/dbraw/zinc/29/56/08/528295608.db2.gz ZCLOLEBAKBGSBQ-GFCCVEGCSA-N 1 1 289.466 2.954 20 70 CFIDMO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159504945 528422360 /nfs/dbraw/zinc/42/23/60/528422360.db2.gz JIZXNCVGTNDZRO-NXEZZACHSA-N 1 1 270.323 2.530 20 70 CFIDMO CCOCCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000159587114 528659019 /nfs/dbraw/zinc/65/90/19/528659019.db2.gz NDVCZSWBHYEXDH-HNNXBMFYSA-N 1 1 267.369 2.687 20 70 CFIDMO CCc1ccc([C@H](C)CC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000160134017 348016034 /nfs/dbraw/zinc/01/60/34/348016034.db2.gz KPOKJBCSPOHBPX-PBHICJAKSA-N 1 1 288.435 2.953 20 70 CFIDMO Cc1ccc(CCC2CC[NH+](Cc3nncn3C)CC2)cc1 ZINC000160732036 348020869 /nfs/dbraw/zinc/02/08/69/348020869.db2.gz GVDUDZOANORVBS-UHFFFAOYSA-N 1 1 298.434 2.968 20 70 CFIDMO C[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160816916 348021331 /nfs/dbraw/zinc/02/13/31/348021331.db2.gz KJBSOBCDEMEOOS-GJZGRUSLSA-N 1 1 293.455 2.835 20 70 CFIDMO C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160816563 348021565 /nfs/dbraw/zinc/02/15/65/348021565.db2.gz KJBSOBCDEMEOOS-HUUCEWRRSA-N 1 1 293.455 2.835 20 70 CFIDMO CCOc1ccccc1C[NH2+]Cc1ccnn1CC ZINC000160107942 541021656 /nfs/dbraw/zinc/02/16/56/541021656.db2.gz YQGKLRZEFPBNHC-UHFFFAOYSA-N 1 1 259.353 2.592 20 70 CFIDMO C[C@@H](N)C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000218302465 541028524 /nfs/dbraw/zinc/02/85/24/541028524.db2.gz PDWUBLPQWIGEEV-ZJUUUORDSA-N 1 1 260.303 2.573 20 70 CFIDMO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159430778 378708501 /nfs/dbraw/zinc/70/85/01/378708501.db2.gz RWIKQGSMQWUCNM-GHMZBOCLSA-N 1 1 284.350 2.920 20 70 CFIDMO CCCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159549694 378714985 /nfs/dbraw/zinc/71/49/85/378714985.db2.gz WVNYQPJBFSUWHS-KGLIPLIRSA-N 1 1 267.369 2.594 20 70 CFIDMO CCCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159549694 378714993 /nfs/dbraw/zinc/71/49/93/378714993.db2.gz WVNYQPJBFSUWHS-KGLIPLIRSA-N 1 1 267.369 2.594 20 70 CFIDMO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000159691356 378724689 /nfs/dbraw/zinc/72/46/89/378724689.db2.gz PFFNCQNJYZALJK-LSDHHAIUSA-N 1 1 292.448 2.861 20 70 CFIDMO C[N@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CCC[C@@H]1O ZINC000159715320 378726275 /nfs/dbraw/zinc/72/62/75/378726275.db2.gz MNCLHRDRWPNHBC-OCCSQVGLSA-N 1 1 285.334 2.881 20 70 CFIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2ccc(C)cc2)CC1 ZINC000159707158 378726472 /nfs/dbraw/zinc/72/64/72/378726472.db2.gz RBWBVTCWQKTFDY-OAHLLOKOSA-N 1 1 289.423 2.793 20 70 CFIDMO Cc1ccc(C[C@H]2CCC[N@H+]2CCn2ccnc2)cc1 ZINC000159826562 378732330 /nfs/dbraw/zinc/73/23/30/378732330.db2.gz MQPPJDMRSNXIBQ-QGZVFWFLSA-N 1 1 269.392 2.899 20 70 CFIDMO COCC[C@@H](C)Nc1cc[nH+]cc1Br ZINC000159852629 378734026 /nfs/dbraw/zinc/73/40/26/378734026.db2.gz WSJSQYHQQXNKFU-MRVPVSSYSA-N 1 1 259.147 2.681 20 70 CFIDMO COc1cccc(CCC[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000160272153 378761097 /nfs/dbraw/zinc/76/10/97/378761097.db2.gz YANGLESFMQSWGU-INIZCTEOSA-N 1 1 263.381 2.739 20 70 CFIDMO CCc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(C)[nH+]1 ZINC000160383616 378768911 /nfs/dbraw/zinc/76/89/11/378768911.db2.gz IHDHITZAVSNTGC-KGLIPLIRSA-N 1 1 261.369 2.717 20 70 CFIDMO CN(C)c1cc[nH+]c(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000160660741 378790063 /nfs/dbraw/zinc/79/00/63/378790063.db2.gz XOVQQALBXJXSRF-HUUCEWRRSA-N 1 1 298.390 2.875 20 70 CFIDMO COc1c(C)c[nH+]c(Cn2cnc3c2CCCC3)c1C ZINC000160726473 378793757 /nfs/dbraw/zinc/79/37/57/378793757.db2.gz HQBLXYIIHWSDNQ-UHFFFAOYSA-N 1 1 271.364 2.831 20 70 CFIDMO C[C@@H]1C[C@H](Nc2cnccn2)C[N@H+]1Cc1ccccc1 ZINC000160930469 378809299 /nfs/dbraw/zinc/80/92/99/378809299.db2.gz MSQYLGMPNVDXRE-HIFRSBDPSA-N 1 1 268.364 2.552 20 70 CFIDMO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161080710 378819229 /nfs/dbraw/zinc/81/92/29/378819229.db2.gz KMINYZHSDWPGEN-UONOGXRCSA-N 1 1 277.412 2.597 20 70 CFIDMO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161080710 378819233 /nfs/dbraw/zinc/81/92/33/378819233.db2.gz KMINYZHSDWPGEN-UONOGXRCSA-N 1 1 277.412 2.597 20 70 CFIDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ccc3nccnc3n2)C1 ZINC000161314532 378839961 /nfs/dbraw/zinc/83/99/61/378839961.db2.gz FKOBTVQKXLHSSF-AWEZNQCLSA-N 1 1 299.422 2.805 20 70 CFIDMO COC(C[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1)OC ZINC000161337848 378841253 /nfs/dbraw/zinc/84/12/53/378841253.db2.gz GXQZQALMUJUHOS-AAEUAGOBSA-N 1 1 267.369 2.980 20 70 CFIDMO COC(C[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1)OC ZINC000161337977 378841504 /nfs/dbraw/zinc/84/15/04/378841504.db2.gz GXQZQALMUJUHOS-WCQYABFASA-N 1 1 267.369 2.980 20 70 CFIDMO COc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(OC)c1 ZINC000217440437 382786893 /nfs/dbraw/zinc/78/68/93/382786893.db2.gz PURYOPZTMZKRHJ-WOSRLPQWSA-N 1 1 292.423 2.522 20 70 CFIDMO CCn1cnnc1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000218226996 382790051 /nfs/dbraw/zinc/79/00/51/382790051.db2.gz FSKVTBZVJINEIT-UHFFFAOYSA-N 1 1 258.369 2.711 20 70 CFIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000160515088 394366424 /nfs/dbraw/zinc/36/64/24/394366424.db2.gz UDZMCBHXLWCWFC-JQWIXIFHSA-N 1 1 267.373 2.678 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000160968143 394366856 /nfs/dbraw/zinc/36/68/56/394366856.db2.gz IIZULWJSHRIUFP-OAHLLOKOSA-N 1 1 287.469 2.854 20 70 CFIDMO c1ccc2[nH+]c(N[C@H]3CCO[C@@H](C4CC4)C3)[nH]c2c1 ZINC000160397607 275068988 /nfs/dbraw/zinc/06/89/88/275068988.db2.gz WOWSMURIMUPWTA-SMDDNHRTSA-N 1 1 257.337 2.932 20 70 CFIDMO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000161423954 276462951 /nfs/dbraw/zinc/46/29/51/276462951.db2.gz CLNQCFCPXZOYGL-IXDOHACOSA-N 1 1 282.472 2.638 20 70 CFIDMO CC1CCC(C[N@@H+](C)C[C@@H](O)C(F)(F)F)CC1 ZINC000159558588 322323910 /nfs/dbraw/zinc/32/39/10/322323910.db2.gz VUNDZZOOQLXZHL-VQXHTEKXSA-N 1 1 253.308 2.668 20 70 CFIDMO CC[C@@H](OC1CCCCC1)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000159578838 322324695 /nfs/dbraw/zinc/32/46/95/322324695.db2.gz MEZQOEXTHCUHFE-GDBMZVCRSA-N 1 1 296.455 2.715 20 70 CFIDMO CCCc1nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cs1 ZINC000159665653 322326338 /nfs/dbraw/zinc/32/63/38/322326338.db2.gz DIIAMKYEIIDDGV-AAEUAGOBSA-N 1 1 268.426 2.688 20 70 CFIDMO CCCc1nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cs1 ZINC000159665653 322326341 /nfs/dbraw/zinc/32/63/41/322326341.db2.gz DIIAMKYEIIDDGV-AAEUAGOBSA-N 1 1 268.426 2.688 20 70 CFIDMO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159811019 322328577 /nfs/dbraw/zinc/32/85/77/322328577.db2.gz RAVKZMRUTAOCNF-HNNXBMFYSA-N 1 1 289.423 2.832 20 70 CFIDMO CCC(C)(C)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159811019 322328580 /nfs/dbraw/zinc/32/85/80/322328580.db2.gz RAVKZMRUTAOCNF-HNNXBMFYSA-N 1 1 289.423 2.832 20 70 CFIDMO C[N@H+](Cc1cc(F)cc2cccnc21)C[C@H]1CCC[C@@H]1O ZINC000159842148 322329335 /nfs/dbraw/zinc/32/93/35/322329335.db2.gz YNTWOIABUVDHCC-CJNGLKHVSA-N 1 1 288.366 2.967 20 70 CFIDMO Cc1ccc(C)c(OCCSCC[NH+]2CCOCC2)c1 ZINC000159843890 322329375 /nfs/dbraw/zinc/32/93/75/322329375.db2.gz TUHOCJBSWBTZPO-UHFFFAOYSA-N 1 1 295.448 2.748 20 70 CFIDMO CCC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CC1 ZINC000160568466 322339595 /nfs/dbraw/zinc/33/95/95/322339595.db2.gz XIDIPDNKAAWYAV-UHFFFAOYSA-N 1 1 292.427 2.531 20 70 CFIDMO Cn1cnnc1C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000160872086 322344208 /nfs/dbraw/zinc/34/42/08/322344208.db2.gz BQWGDUZFZSEYLT-UHFFFAOYSA-N 1 1 284.407 2.802 20 70 CFIDMO CCC(CC)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161160727 322348138 /nfs/dbraw/zinc/34/81/38/322348138.db2.gz NXFGJFKZFLMNGI-CYBMUJFWSA-N 1 1 277.412 2.597 20 70 CFIDMO CCC(CC)NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161160727 322348139 /nfs/dbraw/zinc/34/81/39/322348139.db2.gz NXFGJFKZFLMNGI-CYBMUJFWSA-N 1 1 277.412 2.597 20 70 CFIDMO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C)s1 ZINC000161254045 322349201 /nfs/dbraw/zinc/34/92/01/322349201.db2.gz RISWUFFRRVKLHC-CYBMUJFWSA-N 1 1 267.394 2.974 20 70 CFIDMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C)s1 ZINC000161254045 322349203 /nfs/dbraw/zinc/34/92/03/322349203.db2.gz RISWUFFRRVKLHC-CYBMUJFWSA-N 1 1 267.394 2.974 20 70 CFIDMO CCCC[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160675481 520420280 /nfs/dbraw/zinc/42/02/80/520420280.db2.gz VVNJWDIKJIGUMX-UHFFFAOYSA-N 1 1 258.369 2.714 20 70 CFIDMO CCCC[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160675481 520420291 /nfs/dbraw/zinc/42/02/91/520420291.db2.gz VVNJWDIKJIGUMX-UHFFFAOYSA-N 1 1 258.369 2.714 20 70 CFIDMO CCCn1c(C)nnc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000159840555 521621783 /nfs/dbraw/zinc/62/17/83/521621783.db2.gz RAJBKYMPVCYDKX-UHFFFAOYSA-N 1 1 262.401 2.763 20 70 CFIDMO CCCn1c(C)nnc1C[N@H+]1CCC2(CCCC2)C1 ZINC000159840555 521621789 /nfs/dbraw/zinc/62/17/89/521621789.db2.gz RAJBKYMPVCYDKX-UHFFFAOYSA-N 1 1 262.401 2.763 20 70 CFIDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3OCC[C@H]3C)c2C1 ZINC000159901059 519864841 /nfs/dbraw/zinc/86/48/41/519864841.db2.gz HXLVBDCRPZSBRM-WBMJQRKESA-N 1 1 288.391 2.776 20 70 CFIDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3OCC[C@H]3C)c2C1 ZINC000159901059 519864842 /nfs/dbraw/zinc/86/48/42/519864842.db2.gz HXLVBDCRPZSBRM-WBMJQRKESA-N 1 1 288.391 2.776 20 70 CFIDMO CCCCCCC(=O)N1CCC[N@@H+](CCC)CC1 ZINC000160404965 519950182 /nfs/dbraw/zinc/95/01/82/519950182.db2.gz WIQNXFUMGGHODQ-UHFFFAOYSA-N 1 1 254.418 2.901 20 70 CFIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Cl)ccc1F ZINC000159635644 524390845 /nfs/dbraw/zinc/39/08/45/524390845.db2.gz OZAAAZNOKWOQSL-UWVGGRQHSA-N 1 1 284.762 2.565 20 70 CFIDMO C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O ZINC000159403922 524624938 /nfs/dbraw/zinc/62/49/38/524624938.db2.gz NBDPUOWZONHXKE-GWCFXTLKSA-N 1 1 273.298 2.908 20 70 CFIDMO C[C@H]1C[C@H](N(C)c2nc(C(C)(C)C)ns2)CC[N@H+]1C ZINC000159624387 524903591 /nfs/dbraw/zinc/90/35/91/524903591.db2.gz MHUHMTQUFZENDL-WDEREUQCSA-N 1 1 282.457 2.755 20 70 CFIDMO c1oc2ccccc2c1C[NH2+]Cc1nnc2ccccn21 ZINC000159799666 526627322 /nfs/dbraw/zinc/62/73/22/526627322.db2.gz RIFSZIYHGPZZFX-UHFFFAOYSA-N 1 1 278.315 2.765 20 70 CFIDMO CC(C)[N@@H+](CCCCCO)CCc1nccs1 ZINC000159831078 528879435 /nfs/dbraw/zinc/87/94/35/528879435.db2.gz CDIQSFAYQYMEJQ-UHFFFAOYSA-N 1 1 256.415 2.559 20 70 CFIDMO CC[C@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000159894711 529222216 /nfs/dbraw/zinc/22/22/16/529222216.db2.gz WEJCGXJPTVUPAK-LSDHHAIUSA-N 1 1 281.444 2.692 20 70 CFIDMO C[C@H]1C[N@H+](CCOCC2CC2)C[C@H](c2ccccc2)O1 ZINC000159631942 232245352 /nfs/dbraw/zinc/24/53/52/232245352.db2.gz UBOMBCNNFWOOEJ-WMLDXEAASA-N 1 1 275.392 2.875 20 70 CFIDMO C[C@H]1C[N@@H+](CCOCC2CC2)C[C@H](c2ccccc2)O1 ZINC000159631942 232245354 /nfs/dbraw/zinc/24/53/54/232245354.db2.gz UBOMBCNNFWOOEJ-WMLDXEAASA-N 1 1 275.392 2.875 20 70 CFIDMO C[C@@](CO)([NH2+]CCCN1CCCCC1)C1CCCCC1 ZINC000161214058 232251535 /nfs/dbraw/zinc/25/15/35/232251535.db2.gz PGBKWIODFKSKBH-KRWDZBQOSA-N 1 1 282.472 2.783 20 70 CFIDMO COc1ccccc1[C@@H]([NH3+])C(=O)NCCCC(C)(C)C ZINC000160537265 348019128 /nfs/dbraw/zinc/01/91/28/348019128.db2.gz UTBMWSGDBZDHQM-CQSZACIVSA-N 1 1 278.396 2.638 20 70 CFIDMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000160776644 348020613 /nfs/dbraw/zinc/02/06/13/348020613.db2.gz SLNSJBBXACADIH-ZDUSSCGKSA-N 1 1 296.374 2.941 20 70 CFIDMO Cn1ccnc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000160776644 348020614 /nfs/dbraw/zinc/02/06/14/348020614.db2.gz SLNSJBBXACADIH-ZDUSSCGKSA-N 1 1 296.374 2.941 20 70 CFIDMO Cc1[nH+]c2c(n1Cc1ccn(C(C)C)n1)CCCC2 ZINC000160732959 348020864 /nfs/dbraw/zinc/02/08/64/348020864.db2.gz BJRNBEVELJUXIE-UHFFFAOYSA-N 1 1 258.369 2.896 20 70 CFIDMO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)N1CCCC1 ZINC000159715308 188437901 /nfs/dbraw/zinc/43/79/01/188437901.db2.gz CDIPJRHWPQQINT-SGMGOOAPSA-N 1 1 276.380 2.504 20 70 CFIDMO CCC(C)(CC)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159363202 540990931 /nfs/dbraw/zinc/99/09/31/540990931.db2.gz RJSGZVFDBXUPBV-UHFFFAOYSA-N 1 1 298.471 2.630 20 70 CFIDMO CC(C)[N@@H+](CCCc1cnn(C)c1)CCc1nccs1 ZINC000159748601 541011589 /nfs/dbraw/zinc/01/15/89/541011589.db2.gz LSJAHZCBZGGDCQ-UHFFFAOYSA-N 1 1 292.452 2.762 20 70 CFIDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000160038729 541020716 /nfs/dbraw/zinc/02/07/16/541020716.db2.gz LOSCXLQPYVFLMR-CMPLNLGQSA-N 1 1 252.333 2.729 20 70 CFIDMO CC1(C)CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160144806 541022002 /nfs/dbraw/zinc/02/20/02/541022002.db2.gz QLOFLBOJCYMFMN-HNNXBMFYSA-N 1 1 278.440 2.803 20 70 CFIDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)nc1 ZINC000160453565 541422601 /nfs/dbraw/zinc/42/26/01/541422601.db2.gz UQLNUQJPZHWDKE-UHFFFAOYSA-N 1 1 299.418 2.796 20 70 CFIDMO CN(C)C1(C[NH2+][C@H]2CCCc3cccnc32)CCCC1 ZINC000160710456 541454957 /nfs/dbraw/zinc/45/49/57/541454957.db2.gz ONXGLVMJGZMOMV-HNNXBMFYSA-N 1 1 273.424 2.923 20 70 CFIDMO CCC1(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCCC1 ZINC000161106069 541540635 /nfs/dbraw/zinc/54/06/35/541540635.db2.gz JXDGGSDWRQTXGO-HNNXBMFYSA-N 1 1 293.455 2.740 20 70 CFIDMO CCCCC[N@@H+](CCCCS(C)(=O)=O)C(C)C ZINC000161404207 541626567 /nfs/dbraw/zinc/62/65/67/541626567.db2.gz WXMKRWCTMQGBJO-UHFFFAOYSA-N 1 1 263.447 2.712 20 70 CFIDMO COc1cc(C[NH2+]Cc2ccc(C)o2)cc2c1OCO2 ZINC000159900215 378736659 /nfs/dbraw/zinc/73/66/59/378736659.db2.gz KCVFHFMMPYHHGI-UHFFFAOYSA-N 1 1 275.304 2.615 20 70 CFIDMO CCc1ccc(/C=C/C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)o1 ZINC000159439765 378708774 /nfs/dbraw/zinc/70/87/74/378708774.db2.gz QVJKCKZKGHSZBP-MYSGNRETSA-N 1 1 288.391 2.552 20 70 CFIDMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159558906 378717533 /nfs/dbraw/zinc/71/75/33/378717533.db2.gz QPRYSSYHEOPGMT-ZIAGYGMSSA-N 1 1 292.423 2.758 20 70 CFIDMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)[nH]1 ZINC000160310084 378762470 /nfs/dbraw/zinc/76/24/70/378762470.db2.gz OJTYOKFSSLJLIN-VIFPVBQESA-N 1 1 296.321 2.819 20 70 CFIDMO COC(=O)[C@@H]1CCC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000160345259 378765424 /nfs/dbraw/zinc/76/54/24/378765424.db2.gz CBCNBRNELHSSIJ-OAHLLOKOSA-N 1 1 291.391 2.513 20 70 CFIDMO Cc1nc(C)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000160536426 378778862 /nfs/dbraw/zinc/77/88/62/378778862.db2.gz QYYGSUVNDWALMF-CYBMUJFWSA-N 1 1 295.452 2.610 20 70 CFIDMO CC[N@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160530828 378779559 /nfs/dbraw/zinc/77/95/59/378779559.db2.gz UXVIWXIWJOZSMU-MRXNPFEDSA-N 1 1 295.448 2.621 20 70 CFIDMO CC[N@@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160530828 378779563 /nfs/dbraw/zinc/77/95/63/378779563.db2.gz UXVIWXIWJOZSMU-MRXNPFEDSA-N 1 1 295.448 2.621 20 70 CFIDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000160791181 378798189 /nfs/dbraw/zinc/79/81/89/378798189.db2.gz RNSAYQFAAVDZJD-CQSZACIVSA-N 1 1 279.428 2.589 20 70 CFIDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160773688 378798301 /nfs/dbraw/zinc/79/83/01/378798301.db2.gz LDQRCWZABSOUOI-FZCLSBEQSA-N 1 1 290.451 2.819 20 70 CFIDMO CC1(O)CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000160833904 378802579 /nfs/dbraw/zinc/80/25/79/378802579.db2.gz SWLUJFLFCWGETF-UHFFFAOYSA-N 1 1 272.348 2.688 20 70 CFIDMO COc1cc(C[N@H+](C)Cc2ccc(C)o2)cc2c1OCO2 ZINC000160841962 378803416 /nfs/dbraw/zinc/80/34/16/378803416.db2.gz KEHUDCRDTAFYGZ-UHFFFAOYSA-N 1 1 289.331 2.957 20 70 CFIDMO COc1cc(C[N@@H+](C)Cc2ccc(C)o2)cc2c1OCO2 ZINC000160841962 378803424 /nfs/dbraw/zinc/80/34/24/378803424.db2.gz KEHUDCRDTAFYGZ-UHFFFAOYSA-N 1 1 289.331 2.957 20 70 CFIDMO C[C@@H](NC[C@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000160866450 378805152 /nfs/dbraw/zinc/80/51/52/378805152.db2.gz WMGHNYFKUHKADC-LSDHHAIUSA-N 1 1 286.423 2.591 20 70 CFIDMO C[C@@H](NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000160866450 378805163 /nfs/dbraw/zinc/80/51/63/378805163.db2.gz WMGHNYFKUHKADC-LSDHHAIUSA-N 1 1 286.423 2.591 20 70 CFIDMO CC[N@@H+](CC(OC)OC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000161035184 378816931 /nfs/dbraw/zinc/81/69/31/378816931.db2.gz FFNJMJZOIIGFRQ-ZDUSSCGKSA-N 1 1 281.396 2.567 20 70 CFIDMO Cn1c2ccccc2[nH+]c1NCCNC(=O)OC(C)(C)C ZINC000161082978 378820146 /nfs/dbraw/zinc/82/01/46/378820146.db2.gz NLQIVULNNRAXSF-UHFFFAOYSA-N 1 1 290.367 2.510 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000217402272 382786579 /nfs/dbraw/zinc/78/65/79/382786579.db2.gz YZYKWBLKPOCNTG-GFCCVEGCSA-N 1 1 291.395 2.741 20 70 CFIDMO COc1cccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217684504 382787519 /nfs/dbraw/zinc/78/75/19/382787519.db2.gz OTNOQBNXTHAQBU-XKQJLSEDSA-N 1 1 274.408 2.973 20 70 CFIDMO COc1cccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000217684504 382787521 /nfs/dbraw/zinc/78/75/21/382787521.db2.gz OTNOQBNXTHAQBU-XKQJLSEDSA-N 1 1 274.408 2.973 20 70 CFIDMO COc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000217913423 382788381 /nfs/dbraw/zinc/78/83/81/382788381.db2.gz OLXQGLJKTVSAPQ-HWWQOWPSSA-N 1 1 278.396 2.844 20 70 CFIDMO CCC[N@@H+](CC)CCNc1ccc(C(F)(F)F)nn1 ZINC000218054784 382788900 /nfs/dbraw/zinc/78/89/00/382788900.db2.gz OYSAWZRGCOEQMN-UHFFFAOYSA-N 1 1 276.306 2.639 20 70 CFIDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000218131407 382789454 /nfs/dbraw/zinc/78/94/54/382789454.db2.gz SEBNJRSDKGYVBE-XKQJLSEDSA-N 1 1 286.419 2.899 20 70 CFIDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000218131407 382789457 /nfs/dbraw/zinc/78/94/57/382789457.db2.gz SEBNJRSDKGYVBE-XKQJLSEDSA-N 1 1 286.419 2.899 20 70 CFIDMO CC[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000216823420 393755910 /nfs/dbraw/zinc/75/59/10/393755910.db2.gz GZWIOFSXYDSLCC-LSDHHAIUSA-N 1 1 281.444 2.548 20 70 CFIDMO COC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000217155705 393756670 /nfs/dbraw/zinc/75/66/70/393756670.db2.gz CKUVHRVFIMCMEC-GXFFZTMASA-N 1 1 291.313 2.706 20 70 CFIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC1CCCCCC1 ZINC000159672732 394365817 /nfs/dbraw/zinc/36/58/17/394365817.db2.gz GJJNSMZEOLWBMY-TZMCWYRMSA-N 1 1 252.402 2.543 20 70 CFIDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(C(F)(F)F)nn1 ZINC000218002679 397620853 /nfs/dbraw/zinc/62/08/53/397620853.db2.gz OPAJEGSQJYKCAB-VIFPVBQESA-N 1 1 276.306 2.638 20 70 CFIDMO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218249242 263120820 /nfs/dbraw/zinc/12/08/20/263120820.db2.gz QGDRFSKMSNCXGD-WDEREUQCSA-N 1 1 297.424 2.803 20 70 CFIDMO Cc1ccccc1OCCC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159585561 322324532 /nfs/dbraw/zinc/32/45/32/322324532.db2.gz OXOSORXMTQLYBS-CVEARBPZSA-N 1 1 277.408 2.857 20 70 CFIDMO COC(=O)c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000159646746 322325937 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CCCCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159617138 378720231 /nfs/dbraw/zinc/72/02/31/378720231.db2.gz QZQRSJBZKCVPIX-GJZGRUSLSA-N 1 1 281.396 2.984 20 70 CFIDMO COCCC[N@H+](C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000159689213 378724266 /nfs/dbraw/zinc/72/42/66/378724266.db2.gz HWKOSYGDQCWMOY-CYBMUJFWSA-N 1 1 289.379 2.690 20 70 CFIDMO COCCC[N@@H+](C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000159689213 378724272 /nfs/dbraw/zinc/72/42/72/378724272.db2.gz HWKOSYGDQCWMOY-CYBMUJFWSA-N 1 1 289.379 2.690 20 70 CFIDMO COc1ccccc1C[N@@H+](CCn1ccnc1)C1CC1 ZINC000159764067 378728679 /nfs/dbraw/zinc/72/86/79/378728679.db2.gz DYMVBRPGHJVCFE-UHFFFAOYSA-N 1 1 271.364 2.556 20 70 CFIDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccccn2)c1 ZINC000159823867 378731654 /nfs/dbraw/zinc/73/16/54/378731654.db2.gz FWNOJKQYRCVLHF-UHFFFAOYSA-N 1 1 255.365 2.780 20 70 CFIDMO CCc1nnc(C[NH2+][C@H](C)c2cc(C)sc2C)[nH]1 ZINC000160307240 378762551 /nfs/dbraw/zinc/76/25/51/378762551.db2.gz WAVJVWMIMZKWNK-SECBINFHSA-N 1 1 264.398 2.896 20 70 CFIDMO COc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160426718 378771820 /nfs/dbraw/zinc/77/18/20/378771820.db2.gz HHYDRXNRCGDIRR-CQSZACIVSA-N 1 1 290.407 2.545 20 70 CFIDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000160583545 378784171 /nfs/dbraw/zinc/78/41/71/378784171.db2.gz DLBRFPNKDLQGCS-RISCZKNCSA-N 1 1 266.360 2.720 20 70 CFIDMO Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000160618978 378785992 /nfs/dbraw/zinc/78/59/92/378785992.db2.gz ZNDASGMMGGAPKP-UHFFFAOYSA-N 1 1 295.333 2.962 20 70 CFIDMO Cn1cc[nH+]c1CC1CCN(c2ccnc(Cl)c2)CC1 ZINC000160669899 378790099 /nfs/dbraw/zinc/79/00/99/378790099.db2.gz DHAHBOWCDPJYNZ-UHFFFAOYSA-N 1 1 290.798 2.928 20 70 CFIDMO O[C@H](CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000160722779 378793637 /nfs/dbraw/zinc/79/36/37/378793637.db2.gz OUCMDRCUGJDASB-KZNAEPCWSA-N 1 1 289.419 2.737 20 70 CFIDMO CCC(=O)c1cccc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000160720060 378793947 /nfs/dbraw/zinc/79/39/47/378793947.db2.gz CFPNAMSDHMDFAR-UHFFFAOYSA-N 1 1 262.353 2.558 20 70 CFIDMO CCC(=O)c1cccc(NC(=O)C[N@@H+](C)C(C)C)c1 ZINC000160720060 378793955 /nfs/dbraw/zinc/79/39/55/378793955.db2.gz CFPNAMSDHMDFAR-UHFFFAOYSA-N 1 1 262.353 2.558 20 70 CFIDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000161160574 378828336 /nfs/dbraw/zinc/82/83/36/378828336.db2.gz PJAQOVCUWMHKGC-AWEZNQCLSA-N 1 1 293.455 2.977 20 70 CFIDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cncc(F)c1 ZINC000161198257 378829948 /nfs/dbraw/zinc/82/99/48/378829948.db2.gz SGNFBQJMBGTROH-SWLSCSKDSA-N 1 1 265.376 2.746 20 70 CFIDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cncc(F)c1 ZINC000161198257 378829951 /nfs/dbraw/zinc/82/99/51/378829951.db2.gz SGNFBQJMBGTROH-SWLSCSKDSA-N 1 1 265.376 2.746 20 70 CFIDMO Cc1nccc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000160867715 378805717 /nfs/dbraw/zinc/80/57/17/378805717.db2.gz RNZKLYKKNXOYIK-CJNGLKHVSA-N 1 1 282.391 2.860 20 70 CFIDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC1(C)C ZINC000160901211 378807345 /nfs/dbraw/zinc/80/73/45/378807345.db2.gz JVQUQMHVKDOZFH-RQJABVFESA-N 1 1 266.429 2.515 20 70 CFIDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000160931736 378809570 /nfs/dbraw/zinc/80/95/70/378809570.db2.gz QKLYOSOOIMXTBU-UHFFFAOYSA-N 1 1 288.391 2.520 20 70 CFIDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000160931736 378809577 /nfs/dbraw/zinc/80/95/77/378809577.db2.gz QKLYOSOOIMXTBU-UHFFFAOYSA-N 1 1 288.391 2.520 20 70 CFIDMO Cc1cc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)ncn1 ZINC000161312911 378839649 /nfs/dbraw/zinc/83/96/49/378839649.db2.gz GARVMASXXOAAGK-AWEZNQCLSA-N 1 1 262.401 2.565 20 70 CFIDMO C[C@@H]1CCC[C@H](CCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000160057192 322332459 /nfs/dbraw/zinc/33/24/59/322332459.db2.gz IPVJJWLVKQFPRH-RBSFLKMASA-N 1 1 298.496 2.756 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cc(OC)cc(OC)c1 ZINC000217377257 382786392 /nfs/dbraw/zinc/78/63/92/382786392.db2.gz QWZRBTFRKCNYFX-CYBMUJFWSA-N 1 1 280.412 2.524 20 70 CFIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000217377257 382786395 /nfs/dbraw/zinc/78/63/95/382786395.db2.gz QWZRBTFRKCNYFX-CYBMUJFWSA-N 1 1 280.412 2.524 20 70 CFIDMO CC[C@@H](C)[N@@H+](C)CCNc1ncnc2sccc21 ZINC000217367434 382786480 /nfs/dbraw/zinc/78/64/80/382786480.db2.gz QGXFNIYPCJCZQW-SNVBAGLBSA-N 1 1 264.398 2.834 20 70 CFIDMO Fc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000217643040 382787548 /nfs/dbraw/zinc/78/75/48/382787548.db2.gz BKLXVKJTYXWEAB-GJZGRUSLSA-N 1 1 266.335 2.681 20 70 CFIDMO CCn1cnnc1C[NH2+]Cc1csc2ccccc12 ZINC000218233258 382790087 /nfs/dbraw/zinc/79/00/87/382790087.db2.gz DZZUAZLDQMCPSS-UHFFFAOYSA-N 1 1 272.377 2.803 20 70 CFIDMO C[C@@H]1C[N@H+](CCCC(=O)c2ccccc2)[C@@H](C)CO1 ZINC000218348928 382790097 /nfs/dbraw/zinc/79/00/97/382790097.db2.gz ZEZFCSOJLJDXJK-UONOGXRCSA-N 1 1 261.365 2.759 20 70 CFIDMO C[C@@H]1C[N@@H+](CCCC(=O)c2ccccc2)[C@@H](C)CO1 ZINC000218348928 382790099 /nfs/dbraw/zinc/79/00/99/382790099.db2.gz ZEZFCSOJLJDXJK-UONOGXRCSA-N 1 1 261.365 2.759 20 70 CFIDMO C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)CCN1C ZINC000161350458 394367144 /nfs/dbraw/zinc/36/71/44/394367144.db2.gz DEALMQKHRKFFKX-CJNGLKHVSA-N 1 1 276.399 2.930 20 70 CFIDMO C[C@@H]1CCC[C@@H](C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000160587523 287372129 /nfs/dbraw/zinc/37/21/29/287372129.db2.gz DDTYMFRWJHNQQV-QLFBSQMISA-N 1 1 266.429 2.661 20 70 CFIDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)C1CCC1 ZINC000160917877 277388297 /nfs/dbraw/zinc/38/82/97/277388297.db2.gz KKYOWNPMGAJMTP-HNNXBMFYSA-N 1 1 281.444 2.691 20 70 CFIDMO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccc2cccnc21 ZINC000159450618 322323007 /nfs/dbraw/zinc/32/30/07/322323007.db2.gz CAOVVNCVIPSVTL-IUODEOHRSA-N 1 1 255.365 2.546 20 70 CFIDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccccn1 ZINC000159748066 322327472 /nfs/dbraw/zinc/32/74/72/322327472.db2.gz AWNTYRSWPKXUCQ-UHFFFAOYSA-N 1 1 261.394 2.991 20 70 CFIDMO C[N@H+](Cc1cc(F)cc2cccnc21)C[C@@H]1CCC[C@@H]1O ZINC000159842003 322329351 /nfs/dbraw/zinc/32/93/51/322329351.db2.gz YNTWOIABUVDHCC-BBRMVZONSA-N 1 1 288.366 2.967 20 70 CFIDMO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)CC(C)(C)C ZINC000159916322 322330644 /nfs/dbraw/zinc/33/06/44/322330644.db2.gz HLCCAQXREORTOQ-UHFFFAOYSA-N 1 1 273.380 2.791 20 70 CFIDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000160457452 322338565 /nfs/dbraw/zinc/33/85/65/322338565.db2.gz SXIISDLWKVBOJT-BARDWOONSA-N 1 1 296.480 2.603 20 70 CFIDMO CCc1ccc([C@H]([NH2+]Cc2nncn2C)C(C)C)cc1 ZINC000160710446 322341824 /nfs/dbraw/zinc/34/18/24/322341824.db2.gz JOFUTNOGUPLYQH-MRXNPFEDSA-N 1 1 272.396 2.864 20 70 CFIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000160795176 322342851 /nfs/dbraw/zinc/34/28/51/322342851.db2.gz JWLSDGDIUFPGND-KGLIPLIRSA-N 1 1 275.458 2.710 20 70 CFIDMO CC[C@H]1C[N@@H+](Cc2cnc3ccccn23)CCS1 ZINC000160883032 322343957 /nfs/dbraw/zinc/34/39/57/322343957.db2.gz SWFMFDSHDCUKQK-ZDUSSCGKSA-N 1 1 261.394 2.662 20 70 CFIDMO CCc1cc(=O)[nH]c(C[N@@H+](CC)CCc2ccccc2)n1 ZINC000160878146 322344127 /nfs/dbraw/zinc/34/41/27/322344127.db2.gz AMRQZMFGGQRWBR-UHFFFAOYSA-N 1 1 285.391 2.809 20 70 CFIDMO Cn1cnnc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000160839268 322344187 /nfs/dbraw/zinc/34/41/87/322344187.db2.gz ORHQHHZSDAXMOM-CYBMUJFWSA-N 1 1 290.798 2.676 20 70 CFIDMO Cn1cnnc1C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000160839268 322344189 /nfs/dbraw/zinc/34/41/89/322344189.db2.gz ORHQHHZSDAXMOM-CYBMUJFWSA-N 1 1 290.798 2.676 20 70 CFIDMO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1 ZINC000160934056 322345288 /nfs/dbraw/zinc/34/52/88/322345288.db2.gz HNVIHCQVDGLBDD-ZBFHGGJFSA-N 1 1 275.392 2.661 20 70 CFIDMO CS[C@H](C)CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000161261472 322349483 /nfs/dbraw/zinc/34/94/83/322349483.db2.gz MCSIVJZNFKXJJJ-GFCCVEGCSA-N 1 1 272.458 2.509 20 70 CFIDMO