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CCOC(=O)C1CCN(C(=O)Nc2cnsn2)CC1 ZINC000006954615 342495384 /nfs/dbraw/zinc/49/53/84/342495384.db2.gz SXRRPIMQSFUGBX-UHFFFAOYSA-N 0 0 284.341 1.345 40 0 CDABRN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN1CCOCC1 ZINC000095532900 185007053 /nfs/dbraw/zinc/00/70/53/185007053.db2.gz HTTPYTHCALVFES-KLZNWCGWSA-N 0 0 297.439 1.911 40 0 CDABRN C=Cn1nnc(NC(=O)COc2ccc(CC)cc2)n1 ZINC000010119671 342529497 /nfs/dbraw/zinc/52/94/97/342529497.db2.gz BXSVZKBDDMXZEK-UHFFFAOYSA-N 0 0 273.296 1.354 40 0 CDABRN CCOC(=O)C(=O)OCCc1ccc(OC)c(C)c1 ZINC000095730814 185022407 /nfs/dbraw/zinc/02/24/07/185022407.db2.gz ULBVNJCQOSFCBD-UHFFFAOYSA-N 0 0 266.293 1.652 40 0 CDABRN Cc1occc1CN(C)S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000624891394 342020846 /nfs/dbraw/zinc/02/08/46/342020846.db2.gz YYSVITLHQPKLMT-GFCCVEGCSA-N 0 0 287.381 1.917 40 0 CDABRN c1c2c(nn1CC1CC1)[C@H](COc1ncccn1)OCC2 ZINC000096044247 185070283 /nfs/dbraw/zinc/07/02/83/185070283.db2.gz NARIYIRVSDQUID-ZDUSSCGKSA-N 0 0 286.335 1.776 40 0 CDABRN 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1.103 40 0 CDABRN O=C(NC[C@]1(O)CCSC1)c1ccc(Cl)nc1 ZINC000082965333 178331210 /nfs/dbraw/zinc/33/12/10/178331210.db2.gz BIPJMRXDAOSHAQ-LLVKDONJSA-N 0 0 272.757 1.333 40 0 CDABRN COCC(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 ZINC000136525512 361837973 /nfs/dbraw/zinc/83/79/73/361837973.db2.gz NOSBPZHMPUPHPP-UHFFFAOYSA-N 0 0 291.307 1.350 40 0 CDABRN CCOCCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000170335636 361866126 /nfs/dbraw/zinc/86/61/26/361866126.db2.gz BDQHQTUEBNIOAM-RYUDHWBXSA-N 0 0 270.373 1.224 40 0 CDABRN O=C(NCCCCCO)C(=O)Nc1ccccc1F ZINC000170375992 361872403 /nfs/dbraw/zinc/87/24/03/361872403.db2.gz FOWBNZLEYPYXTK-UHFFFAOYSA-N 0 0 268.288 1.043 40 0 CDABRN O=C(CCc1ccccc1)N1Cc2ccnn2CC[C@@H]1CO ZINC000585097672 342211516 /nfs/dbraw/zinc/21/15/16/342211516.db2.gz PHSWZAPAVMNSHU-MRXNPFEDSA-N 0 0 299.374 1.609 40 0 CDABRN C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(C(=O)N(C)C)nc2[C@@H]1C ZINC000585096415 342211661 /nfs/dbraw/zinc/21/16/61/342211661.db2.gz MWXBDOHBLVDTBJ-VWYCJHECSA-N 0 0 290.367 1.144 40 0 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293.415 1.109 40 0 CDABRN CCOc1cccc(C[NH2+][C@H](CC)CO)c1OCC(=O)[O-] ZINC000062716969 391566703 /nfs/dbraw/zinc/56/67/03/391566703.db2.gz NDHGQJUEDSVLNR-GFCCVEGCSA-N 0 0 297.351 1.409 40 0 CDABRN CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCC(=O)[O-] ZINC000062717022 391568191 /nfs/dbraw/zinc/56/81/91/391568191.db2.gz QULZZHPSEDOXGX-LBPRGKRZSA-N 0 0 297.351 1.409 40 0 CDABRN Cc1ccc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)cn1 ZINC000407998188 391816855 /nfs/dbraw/zinc/81/68/55/391816855.db2.gz PFAFJGNYUMPRKO-NSHDSACASA-N 0 0 288.307 1.498 40 0 CDABRN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(N)=O ZINC000034319259 391928347 /nfs/dbraw/zinc/92/83/47/391928347.db2.gz PDGQPWKDTCRXMR-PWSUYJOCSA-N 0 0 264.325 1.813 40 0 CDABRN O=C(Nc1ccccc1Cl)N[C@@H]1CNC(=O)C1 ZINC000070640719 392009838 /nfs/dbraw/zinc/00/98/38/392009838.db2.gz BMCZLZCIAKBGQT-ZETCQYMHSA-N 0 0 253.689 1.350 40 0 CDABRN CS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1C(N)=S ZINC000218525718 130769052 /nfs/dbraw/zinc/76/90/52/130769052.db2.gz 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/nfs/dbraw/zinc/77/95/28/285779528.db2.gz RVMVXOCDQYGTTB-ZDUSSCGKSA-N 0 0 299.436 1.926 40 0 CDABRN CCN1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000047339644 397844216 /nfs/dbraw/zinc/84/42/16/397844216.db2.gz NAMYMMUAOHKTMT-UHFFFAOYSA-N 0 0 264.344 1.922 40 0 CDABRN CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1O ZINC000059042976 285940365 /nfs/dbraw/zinc/94/03/65/285940365.db2.gz AYRXKSVYGUPMAE-WDEREUQCSA-N 0 0 287.356 1.558 40 0 CDABRN O=S(=O)(C1COC1)N1Cc2ccc(Cl)cc2C1 ZINC000334897241 150049167 /nfs/dbraw/zinc/04/91/67/150049167.db2.gz WJXCRYYVMNJMJT-UHFFFAOYSA-N 0 0 273.741 1.384 40 0 CDABRN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cnnn1C ZINC000333296680 292308823 /nfs/dbraw/zinc/30/88/23/292308823.db2.gz LUHYEGLOQWTJBY-UHFFFAOYSA-N 0 0 292.364 1.265 40 0 CDABRN Cc1cccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257240408 292420894 /nfs/dbraw/zinc/42/08/94/292420894.db2.gz HTHQZODBCLTDTD-HOCLYGCPSA-N 0 0 275.348 1.751 40 0 CDABRN CC[C@@H](C)[C@H]([NH2+]Cc1cnc(N(C)C)nc1)C(=O)[O-] ZINC000218750960 286808182 /nfs/dbraw/zinc/80/81/82/286808182.db2.gz KZVDKJVCDDKVDV-KOLCDFICSA-N 0 0 266.345 1.132 40 0 CDABRN CCOC(=O)N[C@](Cl)(C(=O)OCC)C(F)(F)F ZINC000003138024 169859817 /nfs/dbraw/zinc/85/98/17/169859817.db2.gz UNCYZOKHAJMECA-SSDOTTSWSA-N 0 0 277.626 1.793 40 0 CDABRN CN(CCO)c1ncc(-c2nc3ccccc3o2)cn1 ZINC000005319491 170085716 /nfs/dbraw/zinc/08/57/16/170085716.db2.gz ZFVKRMYUOCRTPL-UHFFFAOYSA-N 0 0 270.292 1.713 40 0 CDABRN CCCC(=O)Nc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 ZINC000005519510 170107482 /nfs/dbraw/zinc/10/74/82/170107482.db2.gz VJGVELLBPBTDTK-NEPJUHHUSA-N 0 0 271.320 1.895 40 0 CDABRN C[C@H]([NH2+]CCC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000005676619 170127065 /nfs/dbraw/zinc/12/70/65/170127065.db2.gz YONQDOUSUVHSPG-QMMMGPOBSA-N 0 0 255.701 1.976 40 0 CDABRN Nc1nonc1C(=O)OCc1c(F)cccc1Cl ZINC000005749300 170136635 /nfs/dbraw/zinc/13/66/35/170136635.db2.gz LSDNKITZGVICJL-UHFFFAOYSA-N 0 0 271.635 1.801 40 0 CDABRN O=C1N/C(=C\c2ccccc2)C(=O)N1CN1CCCC1 ZINC000005854827 170147270 /nfs/dbraw/zinc/14/72/70/170147270.db2.gz YWFZGMGVLRPMFC-RAXLEYEMSA-N 0 0 271.320 1.633 40 0 CDABRN O=C(CSc1nccc(-c2ccccc2)n1)NCCO ZINC000005948096 170160998 /nfs/dbraw/zinc/16/09/98/170160998.db2.gz KAODKNDOKKVVFK-UHFFFAOYSA-N 0 0 289.360 1.344 40 0 CDABRN Cc1cccc(NC(=O)C[C@@H](C(=O)[O-])[NH+](C)C)c1 ZINC000006055546 170172571 /nfs/dbraw/zinc/17/25/71/170172571.db2.gz AERFZZNKKDPDPB-NSHDSACASA-N 0 0 250.298 1.338 40 0 CDABRN CCCCCC(=O)NC(=S)Nc1nnnn1CCC ZINC000006263975 170186704 /nfs/dbraw/zinc/18/67/04/170186704.db2.gz QUFFZISWPYYGBX-UHFFFAOYSA-N 0 0 284.389 1.476 40 0 CDABRN CC1=C(C(N)=O)[C@@H](/C=C/c2ccccc2)n2ncnc2N1 ZINC000006849248 170248713 /nfs/dbraw/zinc/24/87/13/170248713.db2.gz NBXSESGXHNJRCD-ABZNLYFFSA-N 0 0 281.319 1.717 40 0 CDABRN O=S(=O)(N[C@H]1CCC[C@@H]1O)c1ccc(F)cc1 ZINC000006883243 170252704 /nfs/dbraw/zinc/25/27/04/170252704.db2.gz VBOKHTVENLKZOT-QWRGUYRKSA-N 0 0 259.302 1.017 40 0 CDABRN COC(=O)c1c(NC=O)c2cc(F)ccc2n1C ZINC000008417112 170335598 /nfs/dbraw/zinc/33/55/98/170335598.db2.gz OVAGOUJGPGDWLB-UHFFFAOYSA-N 0 0 250.229 1.672 40 0 CDABRN Cc1cccc(CSc2nc(N)nc3nc[nH]c32)n1 ZINC000008615324 170342978 /nfs/dbraw/zinc/34/29/78/170342978.db2.gz ONYHVJXDECYALG-UHFFFAOYSA-N 0 0 272.337 1.931 40 0 CDABRN CN1[C@@H]2CC(=O)C[C@H]1[C@H]1OC(c3ccccc3)O[C@H]21 ZINC000008665489 170344664 /nfs/dbraw/zinc/34/46/64/170344664.db2.gz SZAVMMHZUZXKAY-PFNKYVCDSA-N 0 0 259.305 1.515 40 0 CDABRN [NH3+][C@H](CC(=O)[O-])c1cnc(-c2ccc(F)cc2)nc1 ZINC000008731027 170351050 /nfs/dbraw/zinc/35/10/50/170351050.db2.gz DYCOATPQEVTCHJ-LLVKDONJSA-N 0 0 261.256 1.757 40 0 CDABRN CCCCCNC(=O)C(=O)NCc1cccs1 ZINC000009914935 170390601 /nfs/dbraw/zinc/39/06/01/170390601.db2.gz ZMFZKSGPFSDKOF-UHFFFAOYSA-N 0 0 254.355 1.671 40 0 CDABRN C[C@H]1CCCN(Cn2nc3c4ccccc4ncn3c2=O)C1 ZINC000012181756 170471952 /nfs/dbraw/zinc/47/19/52/170471952.db2.gz RBVDQRGUVPQADH-LBPRGKRZSA-N 0 0 297.362 1.734 40 0 CDABRN CCOc1ccc(N)cc1C(=O)NCCCOC ZINC000020155793 171039097 /nfs/dbraw/zinc/03/90/97/171039097.db2.gz VYUPXWZDNFQJFJ-UHFFFAOYSA-N 0 0 252.314 1.434 40 0 CDABRN CCOC(=O)[C@H]1C(=O)N(C)C(=O)C[C@@H]1c1ccc(F)cc1 ZINC000021297329 171300956 /nfs/dbraw/zinc/30/09/56/171300956.db2.gz VLLPYAIUEKEIRQ-DGCLKSJQSA-N 0 0 293.294 1.477 40 0 in-vitro CDABRN CCN1CCN(C(=O)c2cn(C)c3ccccc3c2=O)CC1 ZINC000022234229 171380278 /nfs/dbraw/zinc/38/02/78/171380278.db2.gz UDIWISZCQDJVKN-UHFFFAOYSA-N 0 0 299.374 1.316 40 0 CDABRN C(=C/[C@H]1OC[C@@H](CN2CCOCC2)O1)\c1ccccc1 ZINC000035183194 172036545 /nfs/dbraw/zinc/03/65/45/172036545.db2.gz PBBQTZURHFLBNT-ZWOPJXCPSA-N 0 0 275.348 1.774 40 0 CDABRN CN1CCOc2ccc(NC(=O)NC3CC3)cc2C1=O ZINC000038489808 174143135 /nfs/dbraw/zinc/14/31/35/174143135.db2.gz SVZMRSCRBISETO-UHFFFAOYSA-N 0 0 275.308 1.435 40 0 CDABRN COC(=O)Cn1nc(-c2cccnc2)nc1-c1cccnc1 ZINC000040174373 174200126 /nfs/dbraw/zinc/20/01/26/174200126.db2.gz FKTILZWTZVQSSW-UHFFFAOYSA-N 0 0 295.302 1.575 40 0 CDABRN COC(=O)c1nn(-c2cccc(OC)c2)ccc1=O ZINC000040556476 174330709 /nfs/dbraw/zinc/33/07/09/174330709.db2.gz XVTJGRCSNJGUCA-UHFFFAOYSA-N 0 0 260.249 1.028 40 0 CDABRN CC(C)(C)C(=O)NCC(=O)N[C@H]1CCc2ccccc21 ZINC000042002781 174628562 /nfs/dbraw/zinc/62/85/62/174628562.db2.gz PSQNKCBQUDKKLN-ZDUSSCGKSA-N 0 0 274.364 1.952 40 0 CDABRN CCOc1ccccc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000044456464 175177187 /nfs/dbraw/zinc/17/71/87/175177187.db2.gz FCWZCHCDHHTGFX-NSHDSACASA-N 0 0 297.376 1.250 40 0 CDABRN Cc1nc(NC(=O)[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000044872431 175269080 /nfs/dbraw/zinc/26/90/80/175269080.db2.gz MLALZVVKBKMDMZ-MRVPVSSYSA-N 0 0 274.367 1.133 40 0 CDABRN Cn1nc(C(=O)NC2CCCC2)cc1NC(=O)C1CC1 ZINC000046089138 175392832 /nfs/dbraw/zinc/39/28/32/175392832.db2.gz VUSSGXDRZIYFDK-UHFFFAOYSA-N 0 0 276.340 1.441 40 0 CDABRN Cc1ccc(CNc2nc(N)nc3c2nc(C)n3C)o1 ZINC000057279250 175590471 /nfs/dbraw/zinc/59/04/71/175590471.db2.gz MROZPYQFIVCIRY-UHFFFAOYSA-N 0 0 272.312 1.767 40 0 CDABRN CCOC(=O)c1cc(N)n(-c2ccc(F)cc2F)n1 ZINC000071978717 176307417 /nfs/dbraw/zinc/30/74/17/176307417.db2.gz QLPUSMBYLXOBLO-UHFFFAOYSA-N 0 0 267.235 1.909 40 0 CDABRN C([C@H]1CCCO1)n1nnnc1SC1CCCC1 ZINC000072066581 176312103 /nfs/dbraw/zinc/31/21/03/176312103.db2.gz VQYIAAONUFGOQW-SECBINFHSA-N 0 0 254.359 1.887 40 0 CDABRN CCCCNS(=O)(=O)c1cnn(-c2ccccn2)c1 ZINC000072238969 176346978 /nfs/dbraw/zinc/34/69/78/176346978.db2.gz XZYRXXIPZROGJO-UHFFFAOYSA-N 0 0 280.353 1.346 40 0 CDABRN Cn1ccnc1CN1CCC(Oc2cnccn2)CC1 ZINC000072345707 176373290 /nfs/dbraw/zinc/37/32/90/176373290.db2.gz ZMRIIPCYHWZVTF-UHFFFAOYSA-N 0 0 273.340 1.254 40 0 CDABRN NC(=O)CCc1cccc([C@@H]2CCCN2c2ncccn2)n1 ZINC000072360508 176376779 /nfs/dbraw/zinc/37/67/79/176376779.db2.gz HDECJMKDKQANHG-AWEZNQCLSA-N 0 0 297.362 1.631 40 0 CDABRN CC(=O)N1CCCC[C@H]1CCc1cc(-n2ccnc2)ncn1 ZINC000072364818 176380041 /nfs/dbraw/zinc/38/00/41/176380041.db2.gz IZDKAVZKSUGUBE-HNNXBMFYSA-N 0 0 299.378 1.996 40 0 CDABRN c1cc([C@H]2CCCN2Cc2cnn3cccnc23)n[nH]1 ZINC000072366820 176381652 /nfs/dbraw/zinc/38/16/52/176381652.db2.gz HLGFBZCWPVBDOX-CYBMUJFWSA-N 0 0 268.324 1.790 40 0 CDABRN CCS(=O)(=O)N1CCC[C@H]1c1cncc(NC)n1 ZINC000072383271 176388277 /nfs/dbraw/zinc/38/82/77/176388277.db2.gz NHLPRLQOICPRCN-JTQLQIEISA-N 0 0 270.358 1.005 40 0 CDABRN O=C(c1cnco1)N1CC[C@H](c2[nH]nc3ncccc32)C1 ZINC000072386344 176391690 /nfs/dbraw/zinc/39/16/90/176391690.db2.gz ZQHWHJANHDNQKR-VIFPVBQESA-N 0 0 283.291 1.576 40 0 CDABRN CNC(=O)c1c[nH]nc1[C@H]1CCCN1C(=O)c1ccccn1 ZINC000072388610 176393370 /nfs/dbraw/zinc/39/33/70/176393370.db2.gz QPLUFXLIMCXQBW-GFCCVEGCSA-N 0 0 299.334 1.142 40 0 CDABRN COCCC(=O)N1CCC(O)(c2cccnc2F)CC1 ZINC000072398113 176396139 /nfs/dbraw/zinc/39/61/39/176396139.db2.gz FAJDSYSLEDJLQB-UHFFFAOYSA-N 0 0 282.315 1.067 40 0 CDABRN O=C(NCc1ccc(Cl)cc1)N1C[C@H]2C[C@@H]1C(=O)O2 ZINC000075162535 176669781 /nfs/dbraw/zinc/66/97/81/176669781.db2.gz PWHOZAXZWWNPKD-GHMZBOCLSA-N 0 0 280.711 1.549 40 0 CDABRN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)OCC(N)=O)cc1 ZINC000077650499 177290380 /nfs/dbraw/zinc/29/03/80/177290380.db2.gz ROOMWRHHARZJCQ-QWHCGFSZSA-N 0 0 261.321 1.942 40 0 CDABRN CC(=O)NCCCN(C)c1cncc(Br)c1 ZINC000078267798 177329684 /nfs/dbraw/zinc/32/96/84/177329684.db2.gz VMFNOXHGDYGFJE-UHFFFAOYSA-N 0 0 286.173 1.807 40 0 CDABRN C[C@@H]1Cc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2N1 ZINC000078403810 177337909 /nfs/dbraw/zinc/33/79/09/177337909.db2.gz PRQGFAORFFIQPO-ZYHUDNBSSA-N 0 0 296.392 1.500 40 0 CDABRN CCOC(=O)Cn1cc(Br)cc1C=O ZINC000078405511 177338410 /nfs/dbraw/zinc/33/84/10/177338410.db2.gz HPMIRCHSLAKWJP-UHFFFAOYSA-N 0 0 260.087 1.626 40 0 CDABRN O=C(/C=C/c1cscn1)NCCCOC[C@H]1CCCO1 ZINC000079050098 177421828 /nfs/dbraw/zinc/42/18/28/177421828.db2.gz BJKGBMXUZPVVLR-MUBLQREKSA-N 0 0 296.392 1.858 40 0 CDABRN CC(=O)O[C@@H]1C=CC[C@H]2C(=O)c3cccc(O)c3[C@@H](O)[C@H]12 ZINC000005028754 275498462 /nfs/dbraw/zinc/49/84/62/275498462.db2.gz SGHIINARMKQKQK-UUFMSHNVSA-N 0 0 288.299 1.746 40 0 CDABRN CCn1c(=O)c2c3c(cnc2n(CC)c1=O)C(=O)CCC3 ZINC000019962378 276708928 /nfs/dbraw/zinc/70/89/28/276708928.db2.gz CJJMTEPTDZVKEV-UHFFFAOYSA-N 0 0 287.319 1.117 40 0 CDABRN COC(=O)Cn1nc(C)n2c3cc(C)sc3cc2c1=O ZINC000072373532 277332365 /nfs/dbraw/zinc/33/23/65/277332365.db2.gz PQNOEODEBPJVIK-UHFFFAOYSA-N 0 0 291.332 1.501 40 0 CDABRN C/C=C(/CC)C1(CCC)C(=O)NC(=S)NC1=O ZINC000016921258 277736227 /nfs/dbraw/zinc/73/62/27/277736227.db2.gz OXTUJEDIBFPMIM-YVMONPNESA-N 0 0 254.355 1.660 40 0 CDABRN COc1ccccc1[C@H]1CN(c2cnccn2)CCN1C ZINC000072366655 278063199 /nfs/dbraw/zinc/06/31/99/278063199.db2.gz DQSSBOLVYRDZGZ-CQSZACIVSA-N 0 0 284.363 1.978 40 0 CDABRN Cc1nnc2n1[C@H]1CN(C(=O)C3CCCC3)C[C@H]1CC2 ZINC000019288348 279242059 /nfs/dbraw/zinc/24/20/59/279242059.db2.gz VETIEOZNMGQLMH-OLZOCXBDSA-N 0 0 274.368 1.722 40 0 CDABRN CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccccn1 ZINC000096071697 279443850 /nfs/dbraw/zinc/44/38/50/279443850.db2.gz VNPSKAZKMJYOOE-INIZCTEOSA-N 0 0 287.363 1.699 40 0 CDABRN CCS(=O)(=O)CCN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000076147867 279996052 /nfs/dbraw/zinc/99/60/52/279996052.db2.gz WOKZWSJJBBMJHG-UKRRQHHQSA-N 0 0 297.420 1.883 40 0 CDABRN CC[C@@H](C)[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)C(=O)[O-] ZINC000218750870 280118964 /nfs/dbraw/zinc/11/89/64/280118964.db2.gz KZVDKJVCDDKVDV-MWLCHTKSSA-N 0 0 266.345 1.132 40 0 CDABRN Nc1n[nH]c(C(F)(F)F)c1I ZINC000095098684 295366066 /nfs/dbraw/zinc/36/60/66/295366066.db2.gz PFIWEBUMDNNWAF-UHFFFAOYSA-N 0 0 276.987 1.615 40 0 CDABRN O=C(C1CCC(F)(F)CC1)N1C[C@H](O)[C@]2(CCCO2)C1 ZINC000257334762 295440943 /nfs/dbraw/zinc/44/09/43/295440943.db2.gz YHHKSRRVIXXTTE-AAEUAGOBSA-N 0 0 289.322 1.564 40 0 CDABRN Cn1cc(Cl)c([C@H]2CCCCCN2S(C)(=O)=O)n1 ZINC000019290034 302913914 /nfs/dbraw/zinc/91/39/14/302913914.db2.gz AVEXCQXFNSJUQF-SNVBAGLBSA-N 0 0 291.804 1.950 40 0 CDABRN Cc1cc(C)nc(NC(=S)NC(=O)C(C)C)n1 ZINC000021596334 327923058 /nfs/dbraw/zinc/92/30/58/327923058.db2.gz RKLPOYIQAZJQIT-UHFFFAOYSA-N 0 0 252.343 1.562 40 0 CDABRN CCCNC(=O)C1(NCc2csnn2)CCCCC1 ZINC000154535863 323211842 /nfs/dbraw/zinc/21/18/42/323211842.db2.gz DDQJERBGVBQCLE-UHFFFAOYSA-N 0 0 282.413 1.857 40 0 CDABRN Cc1nn2c(c1I)OCCC2 ZINC000256050127 482463102 /nfs/dbraw/zinc/46/31/02/482463102.db2.gz CUMYQFNSQVKRQN-UHFFFAOYSA-N 0 0 264.066 1.579 40 0 CDABRN Cc1cccc(C)c1OCC(=O)NCCN1CCOCC1 ZINC000023510951 524306412 /nfs/dbraw/zinc/30/64/12/524306412.db2.gz KGGJAHVYQQYMMT-UHFFFAOYSA-N 0 0 292.379 1.131 40 0 CDABRN CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)[nH]1 ZINC000006516528 529364327 /nfs/dbraw/zinc/36/43/27/529364327.db2.gz GVDMBMYQWNHXAJ-SECBINFHSA-N 0 0 291.376 1.930 40 0 CDABRN CCOc1ccc(CNc2cnn(CCO)c2)cc1 ZINC000236976587 570351759 /nfs/dbraw/zinc/35/17/59/570351759.db2.gz KCYWUNYZILXFPT-UHFFFAOYSA-N 0 0 261.325 1.886 40 0 CDABRN Cc1cc(NC(=O)c2cc(NC(=O)C(C)C)n(C)n2)no1 ZINC000046089055 574470980 /nfs/dbraw/zinc/47/09/80/574470980.db2.gz FFBZUTCGDPEGEJ-UHFFFAOYSA-N 0 0 291.311 1.563 40 0 CDABRN C[C@H](c1nc(C2CSC2)no1)c1ccnn1C ZINC000896734978 620217507 /nfs/dbraw/zinc/21/75/07/620217507.db2.gz 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40 0 CDABRN Cc1nnc(NC(=O)CSc2nccc(=O)[nH]2)s1 ZINC000009143448 170364856 /nfs/dbraw/zinc/36/48/56/170364856.db2.gz ZMTPSFUKHNAMMI-UHFFFAOYSA-N 0 0 283.338 1.073 40 0 CDABRN CCCNC(=O)C(=O)NCc1ccccc1Cl ZINC000009236161 170367986 /nfs/dbraw/zinc/36/79/86/170367986.db2.gz SMLGJEWSPZDSJU-UHFFFAOYSA-N 0 0 254.717 1.482 40 0 CDABRN CCS(=O)(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000014220443 170626075 /nfs/dbraw/zinc/62/60/75/170626075.db2.gz GOYXLSSTKPJLKU-VIFPVBQESA-N 0 0 273.354 1.704 40 0 CDABRN CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000016023874 170685353 /nfs/dbraw/zinc/68/53/53/170685353.db2.gz SNCZQWLJPBXGII-UHFFFAOYSA-N 0 0 298.408 1.857 40 0 CDABRN Cc1cccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000019946407 170936660 /nfs/dbraw/zinc/93/66/60/170936660.db2.gz PWEBMVVTTTUYFZ-UHFFFAOYSA-N 0 0 298.408 1.676 40 0 CDABRN Nc1nonc1N[C@H]1CC(=O)C[C@H](c2ccccc2)C1 ZINC000019974005 170957242 /nfs/dbraw/zinc/95/72/42/170957242.db2.gz APJYKLRILFHFRD-GHMZBOCLSA-N 0 0 272.308 1.969 40 0 CDABRN C[C@@H](Oc1cccc(N)c1)C(=O)NCc1ccco1 ZINC000020388490 171177786 /nfs/dbraw/zinc/17/77/86/171177786.db2.gz VRYADFBKNQKTMO-SNVBAGLBSA-N 0 0 260.293 1.946 40 0 CDABRN CC(C)[C@@H](C)NC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000021872570 171335358 /nfs/dbraw/zinc/33/53/58/171335358.db2.gz XXPPIGSESFRDED-SNVBAGLBSA-N 0 0 284.381 1.832 40 0 CDABRN CNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000022273602 171383498 /nfs/dbraw/zinc/38/34/98/171383498.db2.gz ZSAMVPOXPDNLKY-UHFFFAOYSA-N 0 0 290.772 1.160 40 0 CDABRN Cc1cccc(NC(=S)NCCCN2CCOCC2)n1 ZINC000022270354 171383523 /nfs/dbraw/zinc/38/35/23/171383523.db2.gz VIDQUAQSNCYXFG-UHFFFAOYSA-N 0 0 294.424 1.399 40 0 CDABRN Cc1cccc(C)c1N(CC(=O)N(C)C)S(C)(=O)=O ZINC000022273698 171383578 /nfs/dbraw/zinc/38/35/78/171383578.db2.gz GXXLQMWBHZXIRK-UHFFFAOYSA-N 0 0 284.381 1.158 40 0 CDABRN CCCC[C@@H](CC)CNC(=O)C(=O)NCCCOC ZINC000032109783 171702144 /nfs/dbraw/zinc/70/21/44/171702144.db2.gz RKPZGIXQZFSXDT-GFCCVEGCSA-N 0 0 272.389 1.472 40 0 CDABRN COCC(=O)N1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000035442869 172202386 /nfs/dbraw/zinc/20/23/86/172202386.db2.gz ZVTFZNBKWSHTAK-JTQLQIEISA-N 0 0 259.309 1.525 40 0 biogenic,in-vitro CDABRN CN[C@@H](C(N)=O)c1cc(Br)ccc1OC ZINC000037869832 173815194 /nfs/dbraw/zinc/81/51/94/173815194.db2.gz FUWISXRNFUFADM-SECBINFHSA-N 0 0 273.130 1.204 40 0 CDABRN O=C(NCC(F)(F)F)c1ccc2nsnc2c1 ZINC000038488679 174142699 /nfs/dbraw/zinc/14/26/99/174142699.db2.gz GVZHGINBWLOWCZ-UHFFFAOYSA-N 0 0 261.228 1.983 40 0 CDABRN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@H](O)C1 ZINC000039519490 174169714 /nfs/dbraw/zinc/16/97/14/174169714.db2.gz OTFKJOKCYFMJEP-ONGXEEELSA-N 0 0 283.759 1.519 40 0 CDABRN Cc1cccc(/C=C/C(=O)NCC(=O)N2CCCC2)c1 ZINC000040049127 174184501 /nfs/dbraw/zinc/18/45/01/174184501.db2.gz WRSDEKOAOSZEST-BQYQJAHWSA-N 0 0 272.348 1.747 40 0 CDABRN CCN1CCN(C(=O)c2cc(N)ccc2N(C)C)CC1 ZINC000040293272 174222311 /nfs/dbraw/zinc/22/23/11/174222311.db2.gz CIQYQJZXIOAVAW-UHFFFAOYSA-N 0 0 276.384 1.113 40 0 CDABRN C[C@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)C[C@H](C)O1 ZINC000040462611 174271551 /nfs/dbraw/zinc/27/15/51/174271551.db2.gz KWBYPYQDKJLMJZ-RYUDHWBXSA-N 0 0 286.335 1.517 40 0 CDABRN Nc1nnc(S(=O)(=O)Cc2ccccc2)s1 ZINC000040541990 174322786 /nfs/dbraw/zinc/32/27/86/174322786.db2.gz BQJWQVCPTYPGFT-UHFFFAOYSA-N 0 0 255.324 1.094 40 0 CDABRN O=C(COc1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000041103627 174480664 /nfs/dbraw/zinc/48/06/64/174480664.db2.gz DCVKEEDAWBRSSB-UHFFFAOYSA-N 0 0 289.253 1.943 40 0 CDABRN CN(C)C(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O ZINC000041549727 174566751 /nfs/dbraw/zinc/56/67/51/174566751.db2.gz IEKWEMYRFCUYGX-GFCCVEGCSA-N 0 0 268.700 1.518 40 0 CDABRN O=C(COc1ccc(F)cc1)NCC1(O)CCCC1 ZINC000042382654 174704220 /nfs/dbraw/zinc/70/42/20/174704220.db2.gz IETJDIKKBCUCSV-UHFFFAOYSA-N 0 0 267.300 1.626 40 0 CDABRN CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000042646736 174832340 /nfs/dbraw/zinc/83/23/40/174832340.db2.gz IKLURAZKBXNRJZ-NSHDSACASA-N 0 0 294.351 1.299 40 0 CDABRN COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C(=O)[O-])C(C)C ZINC000043429482 175042601 /nfs/dbraw/zinc/04/26/01/175042601.db2.gz HZKJKWRIHFCLLO-CQSZACIVSA-N 0 0 297.351 1.911 40 0 CDABRN CC(=O)N1CCC(NC(=O)/C=C/c2cccc(F)c2)CC1 ZINC000044870833 175268523 /nfs/dbraw/zinc/26/85/23/175268523.db2.gz IZUVASFALRNODP-AATRIKPKSA-N 0 0 290.338 1.966 40 0 CDABRN CCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C ZINC000045165356 175318657 /nfs/dbraw/zinc/31/86/57/175318657.db2.gz VIOZBPRFIZQWNZ-UHFFFAOYSA-N 0 0 298.408 1.775 40 0 CDABRN CCC(=O)NCc1ccc(OC)c(OC)c1OC ZINC000045202986 175327241 /nfs/dbraw/zinc/32/72/41/175327241.db2.gz SZYPKAZHQWAWAX-UHFFFAOYSA-N 0 0 253.298 1.739 40 0 CDABRN CNC(=O)COC(=O)c1ccc(N2CCC(C)=N2)cc1 ZINC000045902573 175386362 /nfs/dbraw/zinc/38/63/62/175386362.db2.gz WCPDLTAYMAXKSN-UHFFFAOYSA-N 0 0 275.308 1.175 40 0 CDABRN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccccc1 ZINC000045954158 175389217 /nfs/dbraw/zinc/38/92/17/175389217.db2.gz MRLIKRWVMFYCDR-UHFFFAOYSA-N 0 0 279.303 1.844 40 0 CDABRN Cc1cc(C)c(S(=O)(=O)NCC2(CO)CC2)cc1C ZINC000049030127 175459659 /nfs/dbraw/zinc/45/96/59/175459659.db2.gz SFMDMSOVTQVTIH-UHFFFAOYSA-N 0 0 283.393 1.663 40 0 CDABRN CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CCO)on2)C1(C)C ZINC000067890186 175799801 /nfs/dbraw/zinc/79/98/01/175799801.db2.gz AFAQTWVLRWHBLZ-RISCZKNCSA-N 0 0 294.395 1.939 40 0 biogenic,in-vitro CDABRN Cc1ccnn1CC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000071195575 176076383 /nfs/dbraw/zinc/07/63/83/176076383.db2.gz UFTZGAJMWKNJAD-GFCCVEGCSA-N 0 0 273.340 1.119 40 0 CDABRN CC(C)(C)OC(=O)N1CCN(CC(F)F)CC1 ZINC000071792240 176263680 /nfs/dbraw/zinc/26/36/80/176263680.db2.gz DNMQTIGGYJPTHL-UHFFFAOYSA-N 0 0 250.289 1.804 40 0 CDABRN COc1ccc([C@]2(Cc3ccco3)NC(N)=NC2=O)cc1 ZINC000071974398 176306290 /nfs/dbraw/zinc/30/62/90/176306290.db2.gz LGFRCBSXYWXMCR-HNNXBMFYSA-N 0 0 285.303 1.171 40 0 CDABRN COCc1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000072240317 176347986 /nfs/dbraw/zinc/34/79/86/176347986.db2.gz YUYBDRYEQJZSHR-VXGBXAGGSA-N 0 0 299.392 1.631 40 0 CDABRN Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)C2CC2)cc1 ZINC000072321681 176368473 /nfs/dbraw/zinc/36/84/73/176368473.db2.gz JWDHEZFCKWKTLT-KBUPBQIOSA-N 0 0 275.348 1.099 40 0 biogenic,in-vitro CDABRN C[C@@H](Cn1nnc2ccccc21)NC(=O)c1ccccn1 ZINC000072324189 176369615 /nfs/dbraw/zinc/36/96/15/176369615.db2.gz UQDNKHIIPOTJQG-NSHDSACASA-N 0 0 281.319 1.645 40 0 CDABRN Cc1cc(Cl)nc([C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000072343964 176372493 /nfs/dbraw/zinc/37/24/93/176372493.db2.gz SPTBHQCHJYYVTD-SECBINFHSA-N 0 0 289.788 1.925 40 0 CDABRN Cc1cc(N(C)C)nc([C@@H]2CCN(c3cnccn3)C2)n1 ZINC000072356738 176376419 /nfs/dbraw/zinc/37/64/19/176376419.db2.gz QAVLNVJLPGNNQE-GFCCVEGCSA-N 0 0 284.367 1.635 40 0 CDABRN CC(=O)N1CCC(c2nc(C)cc(-n3ccnc3)n2)CC1 ZINC000072360657 176376853 /nfs/dbraw/zinc/37/68/53/176376853.db2.gz KZDKHUMDJUFOCC-UHFFFAOYSA-N 0 0 285.351 1.697 40 0 CDABRN COCc1nc(C2CCN(Cc3ncc[nH]3)CC2)no1 ZINC000072364418 176379460 /nfs/dbraw/zinc/37/94/60/176379460.db2.gz NAPUCUYDGUTKNB-UHFFFAOYSA-N 0 0 277.328 1.319 40 0 CDABRN Cc1nc([C@H]2CCCN2S(=O)(=O)c2cccnc2)no1 ZINC000072364440 176379572 /nfs/dbraw/zinc/37/95/72/176379572.db2.gz LLPYMUFMJGEMSO-LLVKDONJSA-N 0 0 294.336 1.299 40 0 CDABRN CC(=O)N1CCC[C@@H](c2cc(-c3cncnc3)nc(C)n2)C1 ZINC000072365409 176380544 /nfs/dbraw/zinc/38/05/44/176380544.db2.gz KJEMJYMVNPPGKI-CYBMUJFWSA-N 0 0 297.362 1.968 40 0 CDABRN CC(=O)Nc1cnn(CC2CCN(C(C)=O)CC2)c1 ZINC000072368095 176383126 /nfs/dbraw/zinc/38/31/26/176383126.db2.gz NGXONUDVHLDXTE-UHFFFAOYSA-N 0 0 264.329 1.100 40 0 CDABRN CCn1c(SC)nnc1C1CCN(C(C)=O)CC1 ZINC000072368112 176383149 /nfs/dbraw/zinc/38/31/49/176383149.db2.gz DAXFJEZZABQWKM-UHFFFAOYSA-N 0 0 268.386 1.746 40 0 CDABRN O=C([C@H]1CCCN(C(=O)c2ccncc2)C1)N1CCCC1 ZINC000072368246 176383310 /nfs/dbraw/zinc/38/33/10/176383310.db2.gz KNOJNFWSSKGEGF-AWEZNQCLSA-N 0 0 287.363 1.556 40 0 CDABRN CC(=O)NCC[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000072368257 176383446 /nfs/dbraw/zinc/38/34/46/176383446.db2.gz VIEFYHLYPQLJSS-ZDUSSCGKSA-N 0 0 275.352 1.460 40 0 CDABRN O=C(NCCc1nnc(-c2ccncc2)[nH]1)c1ccccn1 ZINC000072373523 176384546 /nfs/dbraw/zinc/38/45/46/176384546.db2.gz JHAFJSFINYNVBQ-UHFFFAOYSA-N 0 0 294.318 1.234 40 0 CDABRN Cn1nc(-c2cccc(F)c2)n(-c2ccncc2)c1=O ZINC000072373603 176384840 /nfs/dbraw/zinc/38/48/40/176384840.db2.gz LHSOMOZFTLJVIH-UHFFFAOYSA-N 0 0 270.267 1.772 40 0 CDABRN O=C(Cn1cc(Cl)cn1)N1CC[C@H](c2cc[nH]n2)C1 ZINC000072384919 176388939 /nfs/dbraw/zinc/38/89/39/176388939.db2.gz PRBSYUPMKLBTKT-VIFPVBQESA-N 0 0 279.731 1.276 40 0 CDABRN Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000072385869 176390287 /nfs/dbraw/zinc/39/02/87/176390287.db2.gz WIUWWUOQHGCNCR-LLVKDONJSA-N 0 0 273.340 1.471 40 0 CDABRN Cc1cc(C)n(CC(=O)N2CC[C@H](c3cc[nH]n3)C2)n1 ZINC000072385700 176390393 /nfs/dbraw/zinc/39/03/93/176390393.db2.gz ICIVOWWVPCEPBN-LBPRGKRZSA-N 0 0 273.340 1.239 40 0 CDABRN Cn1cc(CN2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000072385822 176390639 /nfs/dbraw/zinc/39/06/39/176390639.db2.gz 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355941122 /nfs/dbraw/zinc/94/11/22/355941122.db2.gz CBMGCRONIXJGGM-UHFFFAOYSA-N 0 0 279.361 1.785 40 0 CDABRN CCCOC(=O)[C@H]1OC(C)(CC)O[C@@H]1C(=O)OCCC ZINC000001685841 355946933 /nfs/dbraw/zinc/94/69/33/355946933.db2.gz WVHZYPPGDRZVRA-QWRGUYRKSA-N 0 0 288.340 1.803 40 0 CDABRN CCSC(SCC)[C@@H](O)[C@@H](O)[C@@H]1COC(C)(C)O1 ZINC000001678701 355947201 /nfs/dbraw/zinc/94/72/01/355947201.db2.gz FUMONCUDTFBXSI-GUBZILKMSA-N 0 0 296.454 1.692 40 0 CDABRN CS(=O)(=O)C(=Cc1ccccc1Cl)S(C)(=O)=O ZINC000001697706 355947535 /nfs/dbraw/zinc/94/75/35/355947535.db2.gz GQHXBWDUVIQEHA-UHFFFAOYSA-N 0 0 294.781 1.728 40 0 CDABRN N=C(NNS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000001697250 355947931 /nfs/dbraw/zinc/94/79/31/355947931.db2.gz VYYBGPDFMAIJFS-UHFFFAOYSA-N 0 0 267.232 1.009 40 0 CDABRN COC(=O)C/C(=C/c1ccc2c(c1)OCO2)C(=O)OC ZINC000001711279 355948855 /nfs/dbraw/zinc/94/88/55/355948855.db2.gz RVLAMCAJDQHBHI-YHYXMXQVSA-N 0 0 278.260 1.535 40 0 CDABRN C[C@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@H](c3ccccc3)[C@H]12 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O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1O ZINC000087666880 285013853 /nfs/dbraw/zinc/01/38/53/285013853.db2.gz PADQINQHPQKXNL-HUUCEWRRSA-N 0 0 288.255 1.481 40 0 biogenic,in-vitro CDABRN CCN1CCC(c2ncncc2S(C)(=O)=O)CC1 ZINC000257271373 285192269 /nfs/dbraw/zinc/19/22/69/285192269.db2.gz MYAFGGRFOUMCMM-UHFFFAOYSA-N 0 0 269.370 1.079 40 0 CDABRN CCOC(=O)Cc1nnc(CCNc2cccc(C)c2)[nH]1 ZINC000062719207 256720918 /nfs/dbraw/zinc/72/09/18/256720918.db2.gz LKEAAAUYXZEWHC-UHFFFAOYSA-N 0 0 288.351 1.873 40 0 CDABRN Cc1nc(CN(C)C(=O)Cc2ccc3c(c2)CCO3)no1 ZINC000272653691 413045790 /nfs/dbraw/zinc/04/57/90/413045790.db2.gz GFHNAUMVSGEMDC-UHFFFAOYSA-N 0 0 287.319 1.514 40 0 CDABRN NN1C(=O)OC(c2ccccc2)(c2ccccc2)C1=O ZINC000001582379 390139687 /nfs/dbraw/zinc/13/96/87/390139687.db2.gz KVKNXSOYMJGOJF-UHFFFAOYSA-N 0 0 268.272 1.783 40 0 CDABRN Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1F ZINC000041096998 390424690 /nfs/dbraw/zinc/42/46/90/390424690.db2.gz YHKQHANTDBGXHP-GHMZBOCLSA-N 0 0 287.356 1.932 40 0 CDABRN CCS(=O)(=O)[C@](Cl)(Br)C(=O)C1CC1 ZINC000096518220 390535225 /nfs/dbraw/zinc/53/52/25/390535225.db2.gz UCLQFCGAQMECRI-ZETCQYMHSA-N 0 0 289.578 1.688 40 0 CDABRN CCN1C(=O)[C@H](N)[C@@H]1c1ccc(Br)cc1 ZINC000096526000 390540055 /nfs/dbraw/zinc/54/00/55/390540055.db2.gz QJALUGOGYBCIFM-ZJUUUORDSA-N 0 0 269.142 1.680 40 0 CDABRN CC[C@H](O)c1cnc(N2CCN(C=O)CC2)c(C)c1 ZINC000072222639 390623335 /nfs/dbraw/zinc/62/33/35/390623335.db2.gz IRGRKWGZLZNXOC-ZDUSSCGKSA-N 0 0 263.341 1.112 40 0 CDABRN CC[C@H](O)c1cnc(N2CCN(C(C)=O)CC2)cc1C ZINC000072223733 390624075 /nfs/dbraw/zinc/62/40/75/390624075.db2.gz ZOXHULARUZHTNE-AWEZNQCLSA-N 0 0 277.368 1.502 40 0 CDABRN Clc1cc(N2CCOCC2)nc(N2CCCC2)n1 ZINC000072415083 390628912 /nfs/dbraw/zinc/62/89/12/390628912.db2.gz AWSIOANMHCIGDM-UHFFFAOYSA-N 0 0 268.748 1.567 40 0 CDABRN O=C1NC(=O)[C@H](c2ccccc2O)[C@H]1c1ccc(O)cc1 ZINC000514287805 390882117 /nfs/dbraw/zinc/88/21/17/390882117.db2.gz BZFVMGRQNZXWHI-ZIAGYGMSSA-N 0 0 283.283 1.622 40 0 biogenic,in-vitro CDABRN CN1CCN(C(=O)c2ccncc2)Cc2cccnc21 ZINC000096060913 390912376 /nfs/dbraw/zinc/91/23/76/390912376.db2.gz TYLQBXAVTXFFDS-UHFFFAOYSA-N 0 0 268.320 1.569 40 0 CDABRN Nc1ncc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000062717380 391057627 /nfs/dbraw/zinc/05/76/27/391057627.db2.gz WHDPTCYMGQQJNG-UHFFFAOYSA-N 0 0 258.281 1.047 40 0 CDABRN O=C([O-])COc1ccccc1C[NH2+]CCCCO ZINC000062716864 391057907 /nfs/dbraw/zinc/05/79/07/391057907.db2.gz NKCIUVGOYGTUPU-UHFFFAOYSA-N 0 0 253.298 1.012 40 0 CDABRN CCOC(=O)c1cc(C(N)=O)n(CCC(F)(F)F)n1 ZINC000408717621 391110808 /nfs/dbraw/zinc/11/08/08/391110808.db2.gz KXZKSQBRYMDPPL-UHFFFAOYSA-N 0 0 279.218 1.111 40 0 CDABRN Cc1nn(C)c(C)c1CCC(=O)Nc1cccn(C)c1=O ZINC000074020186 391184028 /nfs/dbraw/zinc/18/40/28/391184028.db2.gz BYDWXAOGUJSGOS-UHFFFAOYSA-N 0 0 288.351 1.307 40 0 CDABRN O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1 ZINC000004223143 391424442 /nfs/dbraw/zinc/42/44/42/391424442.db2.gz AIKBGOLKCFZIGN-BFHYXJOUSA-N 0 0 287.363 1.414 40 0 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