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DGBDMN C[C@@H]1CCC[C@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072697302 191215516 /nfs/dbraw/zinc/21/55/16/191215516.db2.gz OFMASKDVDMPXJJ-TXEJJXNPSA-N 0 1 316.361 3.408 20 5 DGBDMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000277153197 213329734 /nfs/dbraw/zinc/32/97/34/213329734.db2.gz GAVAAHRBEVXVHE-CMPLNLGQSA-N 0 1 317.393 3.386 20 5 DGBDMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000277153206 213330477 /nfs/dbraw/zinc/33/04/77/213330477.db2.gz GAVAAHRBEVXVHE-ZYHUDNBSSA-N 0 1 317.393 3.386 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C1CCCCC1 ZINC000331920432 234277309 /nfs/dbraw/zinc/27/73/09/234277309.db2.gz LNLWBYJCMMHFIK-MRXNPFEDSA-N 0 1 318.373 3.485 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1ccco1 ZINC000331921570 234279726 /nfs/dbraw/zinc/27/97/26/234279726.db2.gz OGOFEPLOCUBBCJ-AWEZNQCLSA-N 0 1 316.313 3.261 20 5 DGBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000174242344 198310319 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QEJRTXGGTJIKGN-UHFFFAOYSA-N 0 1 320.389 3.291 20 5 DGBDMN CC(C)N(C(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000079309398 283878159 /nfs/dbraw/zinc/87/81/59/283878159.db2.gz MKHPIAOLLFCRGX-KBPBESRZSA-N 0 1 321.421 3.279 20 5 DGBDMN CC(C)O[C@@H]1C[C@@H](NCc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451502130 241147658 /nfs/dbraw/zinc/14/76/58/241147658.db2.gz PWMHLBUVPLEUPU-HUUCEWRRSA-N 0 1 310.369 3.416 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)CCC1(C)C ZINC000452005720 241297141 /nfs/dbraw/zinc/29/71/41/241297141.db2.gz KIPJYSSUUBCDCQ-GFCCVEGCSA-N 0 1 305.378 3.105 20 5 DGBDMN O=[N+]([O-])c1cccc(CN(CCn2cc(Cl)cn2)C2CC2)c1 ZINC000459342343 243342150 /nfs/dbraw/zinc/34/21/50/243342150.db2.gz DWHJFGZWENOMSB-UHFFFAOYSA-N 0 1 320.780 3.109 20 5 DGBDMN CC[C@H](O)[C@H]1CCCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119196764 284137388 /nfs/dbraw/zinc/13/73/88/284137388.db2.gz VNWYDOXOCMOYIA-CABCVRRESA-N 0 1 312.797 3.374 20 5 DGBDMN CC[C@@H](O)[C@H]1CCCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119196877 284137436 /nfs/dbraw/zinc/13/74/36/284137436.db2.gz VNWYDOXOCMOYIA-HUUCEWRRSA-N 0 1 312.797 3.374 20 5 DGBDMN Cc1cc(N[C@H]2CCC[C@H]2CCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000274989992 212059976 /nfs/dbraw/zinc/05/99/76/212059976.db2.gz DKPUMUNEDPNPPI-WFASDCNBSA-N 0 1 315.373 3.414 20 5 DGBDMN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000288225970 220028903 /nfs/dbraw/zinc/02/89/03/220028903.db2.gz NEAFHKUQKXKFAX-DGCLKSJQSA-N 0 1 318.402 3.126 20 5 DGBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCSCC2)o1 ZINC000126193411 284297394 /nfs/dbraw/zinc/29/73/94/284297394.db2.gz WTFFLCXBXOUTFF-UHFFFAOYSA-N 0 1 304.371 3.404 20 5 DGBDMN Cc1cccc2oc(CCNCc3csc([N+](=O)[O-])c3)nc21 ZINC000266324538 205268284 /nfs/dbraw/zinc/26/82/84/205268284.db2.gz SYIUJLLKNKNMBW-UHFFFAOYSA-N 0 1 317.370 3.438 20 5 DGBDMN CCc1ccc([C@H](NCCCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000494528406 246159992 /nfs/dbraw/zinc/15/99/92/246159992.db2.gz LRPMOQPQNDRTAG-QGZVFWFLSA-N 0 1 318.373 3.202 20 5 DGBDMN Cc1nn(C)c(C)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151153594 284551836 /nfs/dbraw/zinc/55/18/36/284551836.db2.gz SXTWOIWWOTXTHV-NSHDSACASA-N 0 1 302.378 3.104 20 5 DGBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1F ZINC000152655304 284633251 /nfs/dbraw/zinc/63/32/51/284633251.db2.gz DEQGKNUAMHZYKV-UHFFFAOYSA-N 0 1 324.333 3.152 20 5 DGBDMN COc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000284874718 218216346 /nfs/dbraw/zinc/21/63/46/218216346.db2.gz BBRJZGCQWINULT-SNVBAGLBSA-N 0 1 319.336 3.176 20 5 DGBDMN C[C@@H](NCc1ccccc1N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285081852 218282831 /nfs/dbraw/zinc/28/28/31/218282831.db2.gz JOTLQDLFKABCJD-GFCCVEGCSA-N 0 1 314.389 3.094 20 5 DGBDMN COc1ccc(CN[C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000106466844 194218525 /nfs/dbraw/zinc/21/85/25/194218525.db2.gz QHHRKOTWNWUXKV-CYBMUJFWSA-N 0 1 302.330 3.364 20 5 DGBDMN O=[N+]([O-])c1ccc(OCCN2CCc3sccc3C2)cc1 ZINC000065532659 184361645 /nfs/dbraw/zinc/36/16/45/184361645.db2.gz GXQYEOXZIBJNLJ-UHFFFAOYSA-N 0 1 304.371 3.093 20 5 DGBDMN Cc1cccc2nc(CN(C)CCc3cccc([N+](=O)[O-])c3)cn21 ZINC000338375374 253275948 /nfs/dbraw/zinc/27/59/48/253275948.db2.gz DRRBOWHXJDYQHQ-UHFFFAOYSA-N 0 1 324.384 3.225 20 5 DGBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2O)c1 ZINC000338552490 253308916 /nfs/dbraw/zinc/30/89/16/253308916.db2.gz PRLIARSXHYAIOG-UHFFFAOYSA-N 0 1 320.276 3.091 20 5 DGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cccn2)C1 ZINC000338728658 253342912 /nfs/dbraw/zinc/34/29/12/253342912.db2.gz ZSIUDVHDEGTNNH-CJNGLKHVSA-N 0 1 300.362 3.189 20 5 DGBDMN CN(C)c1ccccc1N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339043895 253395544 /nfs/dbraw/zinc/39/55/44/253395544.db2.gz OHQWIVXFWOCBQF-UHFFFAOYSA-N 0 1 301.346 3.003 20 5 DGBDMN CCC[C@H](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000343820404 254192678 /nfs/dbraw/zinc/19/26/78/254192678.db2.gz NNMHEVLXPGRLSO-JTQLQIEISA-N 0 1 317.349 3.145 20 5 DGBDMN CC[C@]1(C)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000344275488 254249241 /nfs/dbraw/zinc/24/92/41/254249241.db2.gz SVZQGLRSLNGHJF-MRXNPFEDSA-N 0 1 316.361 3.267 20 5 DGBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1csc([N+](=O)[O-])c1 ZINC000345608943 254379834 /nfs/dbraw/zinc/37/98/34/254379834.db2.gz NVKOSBXGRWEBDJ-UHFFFAOYSA-N 0 1 316.697 3.407 20 5 DGBDMN COc1ncc(CNCc2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000295003482 533211302 /nfs/dbraw/zinc/21/13/02/533211302.db2.gz LMXSMAHLROQVBR-UHFFFAOYSA-N 0 1 321.764 3.250 20 5 DGBDMN Cc1ccc([C@@H](C)NCc2ccccc2CO)cc1[N+](=O)[O-] ZINC000305125511 285291391 /nfs/dbraw/zinc/29/13/91/285291391.db2.gz LAWLEFBXOMERHY-CYBMUJFWSA-N 0 1 300.358 3.246 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCSC(C)(C)CC1 ZINC000434710930 533218414 /nfs/dbraw/zinc/21/84/14/533218414.db2.gz KWZOHTIWRRFYOY-UHFFFAOYSA-N 0 1 310.419 3.321 20 5 DGBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1n[nH]c(C(C)C)n1 ZINC000294962318 224341674 /nfs/dbraw/zinc/34/16/74/224341674.db2.gz NFRJSFHADXDWOW-UHFFFAOYSA-N 0 1 309.757 3.410 20 5 DGBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H](C)c1cnn(C)c1 ZINC000470203261 533383629 /nfs/dbraw/zinc/38/36/29/533383629.db2.gz PMBTZDNZAVEMTE-MQJVFOOVSA-N 0 1 314.389 3.425 20 5 DGBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@H](C)c1cnn(C)c1 ZINC000470203262 533383726 /nfs/dbraw/zinc/38/37/26/533383726.db2.gz PMBTZDNZAVEMTE-YLHGKKIISA-N 0 1 314.389 3.425 20 5 DGBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000356807559 285497762 /nfs/dbraw/zinc/49/77/62/285497762.db2.gz WCOAMCZGSYFSHT-MRVPVSSYSA-N 0 1 322.267 3.070 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1ccccc1 ZINC000007783671 400108885 /nfs/dbraw/zinc/10/88/85/400108885.db2.gz XIMCLGLTFQQWRZ-ZDUSSCGKSA-N 0 1 313.357 3.193 20 5 DGBDMN Cc1noc(CN2CCC[C@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000595295545 400119941 /nfs/dbraw/zinc/11/99/41/400119941.db2.gz GXXCAAAFOIFEEM-HNNXBMFYSA-N 0 1 315.373 3.488 20 5 DGBDMN Cc1noc(CN2CCC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595318719 400125380 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CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCN1C1CCCC1 ZINC000858780511 621220988 /nfs/dbraw/zinc/22/09/88/621220988.db2.gz CNJWUTDTFBSGRH-OAHLLOKOSA-N 0 1 317.389 3.226 20 5 DGBDMN CCOC(=O)CC(C)(C)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000838792144 621281614 /nfs/dbraw/zinc/28/16/14/621281614.db2.gz CELSVRPSNUMZKP-UHFFFAOYSA-N 0 1 308.378 3.006 20 5 DGBDMN O=C(Nc1cccc(COC2CCCCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839585817 621699798 /nfs/dbraw/zinc/69/97/98/621699798.db2.gz LWRGRNILZAGDIN-HZPDHXFCSA-N 0 1 318.373 3.140 20 5 DGBDMN CO[C@H]1c2ccccc2C[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000839627602 621702012 /nfs/dbraw/zinc/70/20/12/621702012.db2.gz AUDBUHBLIZVFEV-WBVHZDCISA-N 0 1 316.332 3.136 20 5 DGBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000839786145 621724148 /nfs/dbraw/zinc/72/41/48/621724148.db2.gz LPHWOVXTNROXKO-MGPQQGTHSA-N 0 1 308.765 3.059 20 5 DGBDMN Cc1ccc(C)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120072990 621769875 /nfs/dbraw/zinc/76/98/75/621769875.db2.gz 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ZINC000764175556 622183197 /nfs/dbraw/zinc/18/31/97/622183197.db2.gz JTQDGPLDJJIODO-QMMMGPOBSA-N 0 1 316.342 3.024 20 5 DGBDMN CCOc1ccc([C@@H](C)NCc2cc(CC)n[nH]2)cc1[N+](=O)[O-] ZINC000768106769 622438782 /nfs/dbraw/zinc/43/87/82/622438782.db2.gz VPXFIZRWWBSFDC-LLVKDONJSA-N 0 1 318.377 3.130 20 5 DGBDMN C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C ZINC000769448435 622528875 /nfs/dbraw/zinc/52/88/75/622528875.db2.gz QJULEDNGKDOBHJ-AOOOYVTPSA-N 0 1 313.195 3.445 20 5 DGBDMN C[C@@H](NC[C@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016318 622752410 /nfs/dbraw/zinc/75/24/10/622752410.db2.gz HYYWSZZHBXJAOB-ABAIWWIYSA-N 0 1 304.321 3.118 20 5 DGBDMN Cc1ccccc1[C@@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036316 622766497 /nfs/dbraw/zinc/76/64/97/622766497.db2.gz RIRZNQDIXHALLT-LRDDRELGSA-N 0 1 318.348 3.427 20 5 DGBDMN Cc1ccccc1[C@@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036318 622767019 /nfs/dbraw/zinc/76/70/19/622767019.db2.gz RIRZNQDIXHALLT-WBMJQRKESA-N 0 1 318.348 3.427 20 5 DGBDMN C[C@H](NC[C@]1(C)CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872039557 622768337 /nfs/dbraw/zinc/76/83/37/622768337.db2.gz GVEQMPOBNIDKAV-PJODQICGSA-N 0 1 310.369 3.326 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872168171 622847322 /nfs/dbraw/zinc/84/73/22/622847322.db2.gz QRJPZTDLBSPFQX-ISTRZQFTSA-N 0 1 318.373 3.293 20 5 DGBDMN Cc1ccc(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1C ZINC000772295889 622881694 /nfs/dbraw/zinc/88/16/94/622881694.db2.gz DHKYKRZSBUOLGL-UHFFFAOYSA-N 0 1 300.314 3.194 20 5 DGBDMN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000772739904 622934702 /nfs/dbraw/zinc/93/47/02/622934702.db2.gz FSBWFTATIYYYGF-INIZCTEOSA-N 0 1 320.776 3.414 20 5 DGBDMN CC(C)c1cc([C@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)[nH]n1 ZINC000872649276 622948696 /nfs/dbraw/zinc/94/86/96/622948696.db2.gz WCPGNGVHMVGYJA-JTQLQIEISA-N 0 1 321.406 3.282 20 5 DGBDMN Cc1c(CN[C@@H]2CN(C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000873098902 623035976 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CC[C@H](C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000444556843 529255019 /nfs/dbraw/zinc/25/50/19/529255019.db2.gz ZGZXRJSWTCDMAI-CPCISQLKSA-N 0 1 320.267 3.007 20 5 DGBDMN CC[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444640852 529298830 /nfs/dbraw/zinc/29/88/30/529298830.db2.gz OLYVDCDHEHCHIT-GFCCVEGCSA-N 0 1 302.378 3.483 20 5 DGBDMN CC(C)c1nnc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449192496 534987563 /nfs/dbraw/zinc/98/75/63/534987563.db2.gz QUMBMEWZTHBOPR-LLVKDONJSA-N 0 1 320.418 3.291 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CCc1ccccc1F ZINC000731669139 574554937 /nfs/dbraw/zinc/55/49/37/574554937.db2.gz BRHGHKDYLOZNMH-UHFFFAOYSA-N 0 1 318.348 3.417 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NCc1n[nH]c(-c2ccccc2)n1 ZINC000732568266 574575957 /nfs/dbraw/zinc/57/59/57/574575957.db2.gz MVJGOPRCOJHJCI-UHFFFAOYSA-N 0 1 309.329 3.300 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NCc1nc(-c2ccccc2)n[nH]1 ZINC000732568266 574575958 /nfs/dbraw/zinc/57/59/58/574575958.db2.gz MVJGOPRCOJHJCI-UHFFFAOYSA-N 0 1 309.329 3.300 20 5 DGBDMN Cc1c(COC(=O)[C@@H](C)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000741029988 574949409 /nfs/dbraw/zinc/94/94/09/574949409.db2.gz UNMRNUQMWXWPEE-CQSZACIVSA-N 0 1 320.389 3.211 20 5 DGBDMN CC[C@@]1(C)CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000743386831 575048298 /nfs/dbraw/zinc/04/82/98/575048298.db2.gz ZZJYQMDWWRNKGQ-INIZCTEOSA-N 0 1 302.378 3.414 20 5 DGBDMN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746049782 575428696 /nfs/dbraw/zinc/42/86/96/575428696.db2.gz YPZPJYSRSHTYNR-BDJLRTHQSA-N 0 1 312.373 3.421 20 5 DGBDMN O=C(O[C@@H]1CCCc2cc(F)ccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000747177908 575503661 /nfs/dbraw/zinc/50/36/61/575503661.db2.gz AOZYZPNMBJEZHK-CYBMUJFWSA-N 0 1 304.277 3.296 20 5 DGBDMN Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000749839838 575682573 /nfs/dbraw/zinc/68/25/73/575682573.db2.gz IIYWXKNFSZFCRI-MEDUHNTESA-N 0 1 312.373 3.421 20 5 DGBDMN CSC[C@@H]1CCCN1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121267426 617941232 /nfs/dbraw/zinc/94/12/32/617941232.db2.gz FRVIRUZYPDTDQN-ZDUSSCGKSA-N 0 1 320.418 3.038 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1nccn1C1CC1 ZINC000893400499 618545488 /nfs/dbraw/zinc/54/54/88/618545488.db2.gz DVYCDESXTCKIOZ-UHFFFAOYSA-N 0 1 320.780 3.112 20 5 DGBDMN CC1(C)CC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)OC1 ZINC000895528916 618794939 /nfs/dbraw/zinc/79/49/39/618794939.db2.gz BHYMGHHYUNYLEF-LBPRGKRZSA-N 0 1 319.361 3.031 20 5 DGBDMN CC(C)(NCc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000895657680 618813139 /nfs/dbraw/zinc/81/31/39/618813139.db2.gz CYSWAXRWECDOKQ-CQSZACIVSA-N 0 1 306.387 3.258 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895845740 618840743 /nfs/dbraw/zinc/84/07/43/618840743.db2.gz IDXYQPULVJVJDI-WFASDCNBSA-N 0 1 310.781 3.249 20 5 DGBDMN Cc1nc2ccccn2c1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000898271927 619230916 /nfs/dbraw/zinc/23/09/16/619230916.db2.gz MNJSIYSIOQWCRK-HNNXBMFYSA-N 0 1 322.368 3.328 20 5 DGBDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000901593527 619520287 /nfs/dbraw/zinc/52/02/87/619520287.db2.gz QKQNGEYOBIAEGS-UHFFFAOYSA-N 0 1 314.769 3.181 20 5 DGBDMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000901995573 619572150 /nfs/dbraw/zinc/57/21/50/619572150.db2.gz AUTCOMACIRZJTE-ZKKXHLJNSA-N 0 1 318.373 3.327 20 5 DGBDMN COc1cc([C@@H](C)NCc2cccc(O)c2)cc([N+](=O)[O-])c1 ZINC000903086147 619713508 /nfs/dbraw/zinc/71/35/08/619713508.db2.gz KSUFSCFIRFLIHB-LLVKDONJSA-N 0 1 302.330 3.160 20 5 DGBDMN COc1cc([C@@H](C)NCc2cncc(C)c2)cc([N+](=O)[O-])c1 ZINC000903132271 619723322 /nfs/dbraw/zinc/72/33/22/619723322.db2.gz XJMRZPVPGSWYPO-GFCCVEGCSA-N 0 1 301.346 3.158 20 5 DGBDMN C[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000903252574 619745321 /nfs/dbraw/zinc/74/53/21/619745321.db2.gz NJENYTUCVRBNQM-NVBFEUDRSA-N 0 1 308.353 3.342 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc2nonc2c1 ZINC000903325722 619761332 /nfs/dbraw/zinc/76/13/32/619761332.db2.gz MLDUKODCQNCWOI-LLVKDONJSA-N 0 1 312.329 3.290 20 5 DGBDMN O=C([O-])C1(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000903701567 619801430 /nfs/dbraw/zinc/80/14/30/619801430.db2.gz QSEGGTHQLOETGG-UHFFFAOYSA-N 0 1 318.373 3.204 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[N@H+](C)CC(C)(C)C)n1 ZINC000904005316 619858674 /nfs/dbraw/zinc/85/86/74/619858674.db2.gz YKPYUZQMLLEKKO-UHFFFAOYSA-N 0 1 318.377 3.431 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(CN(C)CC(C)(C)C)n1 ZINC000904005316 619858675 /nfs/dbraw/zinc/85/86/75/619858675.db2.gz YKPYUZQMLLEKKO-UHFFFAOYSA-N 0 1 318.377 3.431 20 5 DGBDMN CN[C@@H](CC(C)C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000904124443 619881485 /nfs/dbraw/zinc/88/14/85/619881485.db2.gz YNCQZNTUVLMJFN-ZDUSSCGKSA-N 0 1 304.350 3.260 20 5 DGBDMN COc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000922585303 621061778 /nfs/dbraw/zinc/06/17/78/621061778.db2.gz DYKYCTWYTMSJDJ-QGZVFWFLSA-N 0 1 313.357 3.239 20 5 DGBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCC[C@H](C(F)(F)F)O2)cs1 ZINC000922698201 621084131 /nfs/dbraw/zinc/08/41/31/621084131.db2.gz VPRMDLKWQIFBTQ-VHSXEESVSA-N 0 1 324.324 3.246 20 5 DGBDMN O=[N+]([O-])c1ccc(/C=C/Sc2nc(-c3ccccn3)n[nH]2)o1 ZINC000117113489 621352089 /nfs/dbraw/zinc/35/20/89/621352089.db2.gz DQAMBQPJEVFVNH-SOFGYWHQSA-N 0 1 315.314 3.131 20 5 DGBDMN COCC(C)(C)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000756076476 621613498 /nfs/dbraw/zinc/61/34/98/621613498.db2.gz MOGSEPYORVEXLA-UHFFFAOYSA-N 0 1 300.786 3.353 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CNc1ccc2nn[nH]c2c1 ZINC000864019234 621727791 /nfs/dbraw/zinc/72/77/91/621727791.db2.gz VVYUAUVCDWSXQT-UHFFFAOYSA-N 0 1 303.709 3.132 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CNc1ccc2n[nH]nc2c1 ZINC000864019234 621727793 /nfs/dbraw/zinc/72/77/93/621727793.db2.gz VVYUAUVCDWSXQT-UHFFFAOYSA-N 0 1 303.709 3.132 20 5 DGBDMN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000760535931 621948788 /nfs/dbraw/zinc/94/87/88/621948788.db2.gz XYSWCUUAIIXZAD-SSDOTTSWSA-N 0 1 318.724 3.088 20 5 DGBDMN Cc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000865786959 621995437 /nfs/dbraw/zinc/99/54/37/621995437.db2.gz VSPOKDDSISTMDZ-UHFFFAOYSA-N 0 1 315.329 3.410 20 5 DGBDMN Cc1nn(C(C)C)cc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000865788089 621995874 /nfs/dbraw/zinc/99/58/74/621995874.db2.gz YLBIGSBQWNVVQT-UHFFFAOYSA-N 0 1 302.378 3.279 20 5 DGBDMN Cc1cnc(CN[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866274374 622082324 /nfs/dbraw/zinc/08/23/24/622082324.db2.gz JVEVOEQLROBHOR-SECBINFHSA-N 0 1 309.366 3.220 20 5 DGBDMN CCc1cnc(CN[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866274999 622082847 /nfs/dbraw/zinc/08/28/47/622082847.db2.gz WNRXHFRBPQIXJP-SNVBAGLBSA-N 0 1 323.393 3.474 20 5 DGBDMN C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000866614190 622147072 /nfs/dbraw/zinc/14/70/72/622147072.db2.gz LMXYPBLRNYKEIR-ABAIWWIYSA-N 0 1 314.389 3.402 20 5 DGBDMN COc1ccc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])cc1F ZINC000768198927 622444931 /nfs/dbraw/zinc/44/49/31/622444931.db2.gz GCRWWIMQCDXYEU-UHFFFAOYSA-N 0 1 320.320 3.080 20 5 DGBDMN C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052066 622777215 /nfs/dbraw/zinc/77/72/15/622777215.db2.gz AZDCUVDBTBQXRM-NEPJUHHUSA-N 0 1 324.352 3.070 20 5 DGBDMN CO[C@@H]1C[C@@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000872078784 622792887 /nfs/dbraw/zinc/79/28/87/622792887.db2.gz JSHBSCXNZSLXOW-LERXQTSPSA-N 0 1 308.353 3.342 20 5 DGBDMN COC[C@@H](CC(C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000773036613 622972156 /nfs/dbraw/zinc/97/21/56/622972156.db2.gz QUCURYCHGZYPMN-GFCCVEGCSA-N 0 1 300.786 3.399 20 5 DGBDMN CN(Cc1ccccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272493 623405085 /nfs/dbraw/zinc/40/50/85/623405085.db2.gz UIWSXQMIZSANET-INIZCTEOSA-N 0 1 320.776 3.414 20 5 DGBDMN C[C@H]1c2ccsc2CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275172 623405294 /nfs/dbraw/zinc/40/52/94/623405294.db2.gz JMHVKWAELABVMX-NHYWBVRUSA-N 0 1 318.398 3.309 20 5 DGBDMN 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RPHRGJTUBRVJOD-GFCCVEGCSA-N 0 1 306.753 3.069 20 5 DGBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCCCC2)o1 ZINC000877942362 624103184 /nfs/dbraw/zinc/10/31/84/624103184.db2.gz CXHIJKZMQJDTLB-UHFFFAOYSA-N 0 1 302.334 3.021 20 5 DGBDMN CC(C)CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000877958771 624111057 /nfs/dbraw/zinc/11/10/57/624111057.db2.gz XFGBJDPIOLOLQT-UHFFFAOYSA-N 0 1 316.361 3.265 20 5 DGBDMN C[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878002305 624131459 /nfs/dbraw/zinc/13/14/59/624131459.db2.gz UOSOBXKYQAGFGC-GFCCVEGCSA-N 0 1 316.361 3.267 20 5 DGBDMN Cn1cc(CNCc2c3ccccc3cc3ccccc32)nn1 ZINC000782967885 624297320 /nfs/dbraw/zinc/29/73/20/624297320.db2.gz DIHXHBJPXSBUDF-UHFFFAOYSA-N 0 1 302.381 3.411 20 5 DGBDMN C[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)N1[C@H](C)CC[C@@H]1C ZINC000783778796 624395129 /nfs/dbraw/zinc/39/51/29/624395129.db2.gz SCENKCQWTINOSB-GRYCIOLGSA-N 0 1 324.352 3.038 20 5 DGBDMN CC(C)[C@@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000783775668 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COCCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000792464050 625947978 /nfs/dbraw/zinc/94/79/78/625947978.db2.gz KRSDHLJWRVBOOQ-DOMZBBRYSA-N 0 1 310.369 3.371 20 5 DGBDMN COc1ccc(CNCc2cc(C)nc(Cl)c2)cc1[N+](=O)[O-] ZINC000797597031 626157731 /nfs/dbraw/zinc/15/77/31/626157731.db2.gz BPQNWICFEGTTPU-UHFFFAOYSA-N 0 1 321.764 3.250 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCc3ccc(O)cc3CC2)cc1F ZINC000801521922 626407524 /nfs/dbraw/zinc/40/75/24/626407524.db2.gz NGIRKSDEDVKMLG-UHFFFAOYSA-N 0 1 316.332 3.040 20 5 DGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801550526 626409545 /nfs/dbraw/zinc/40/95/45/626409545.db2.gz FVLCKJJZKXXGLM-UHFFFAOYSA-N 0 1 320.368 3.387 20 5 DGBDMN O=C(OCc1cccc(-c2ccccn2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000802253262 626438434 /nfs/dbraw/zinc/43/84/34/626438434.db2.gz PLADJQZHMNMCNT-UHFFFAOYSA-N 0 1 323.308 3.342 20 5 DGBDMN Cc1nc([C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)n[nH]1 ZINC000839984915 626586118 /nfs/dbraw/zinc/58/61/18/626586118.db2.gz NEMUAANBFVFGKN-ZCFIWIBFSA-N 0 1 321.387 3.484 20 5 DGBDMN O=[N+]([O-])c1ccnn1CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000840177192 626913700 /nfs/dbraw/zinc/91/37/00/626913700.db2.gz GZRZKOHCIVUXAL-HNNXBMFYSA-N 0 1 312.373 3.019 20 5 DGBDMN Cc1nc(C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)[nH]c1C ZINC000884706626 626932541 /nfs/dbraw/zinc/93/25/41/626932541.db2.gz JJBDBIPLDDAVMQ-UHFFFAOYSA-N 0 1 318.352 3.458 20 5 DGBDMN COc1cc(C)cc(CNCc2ccc([N+](=O)[O-])cc2)c1OC ZINC000885926354 627061878 /nfs/dbraw/zinc/06/18/78/627061878.db2.gz BNUGJIAQHFOHRT-UHFFFAOYSA-N 0 1 316.357 3.210 20 5 DGBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CC3(CCC3)CO2)c(Cl)c1 ZINC000886288812 627131800 /nfs/dbraw/zinc/13/18/00/627131800.db2.gz HXHHMXVUCPQBKN-ZDUSSCGKSA-N 0 1 310.781 3.297 20 5 DGBDMN O=[N+]([O-])c1ccc(-c2nnc(CNC3(C4CC4)CCC3)o2)cc1 ZINC000887145146 627229286 /nfs/dbraw/zinc/22/92/86/627229286.db2.gz PICCAJWAAQLAND-UHFFFAOYSA-N 0 1 314.345 3.067 20 5 DGBDMN O=[N+]([O-])c1ccccc1-c1nnc(CNC2(C3CC3)CCC2)o1 ZINC000887148802 627229653 /nfs/dbraw/zinc/22/96/53/627229653.db2.gz WXULUVKLLXXGPP-UHFFFAOYSA-N 0 1 314.345 3.067 20 5 DGBDMN CC(C)C[C@H](O)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811475970 627279156 /nfs/dbraw/zinc/27/91/56/627279156.db2.gz DTTNWUSWWPKNKV-NSHDSACASA-N 0 1 321.204 3.398 20 5 DGBDMN C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840282009 627461716 /nfs/dbraw/zinc/46/17/16/627461716.db2.gz YONCUFSYMMKBNY-CUOATXAZSA-N 0 1 308.765 3.057 20 5 DGBDMN O=C(OC[C@@H]1CC[C@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])[nH]1 ZINC000814054758 627536189 /nfs/dbraw/zinc/53/61/89/627536189.db2.gz HDLISYVACOOCNO-GXTWGEPZSA-N 0 1 316.313 3.000 20 5 DGBDMN COc1ccc(C)cc1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815590128 627688516 /nfs/dbraw/zinc/68/85/16/627688516.db2.gz MVRXFXBMMSUUHB-GFCCVEGCSA-N 0 1 315.373 3.345 20 5 DGBDMN Cc1nc2c(o1)CCC[C@H]2NCCc1ccc([N+](=O)[O-])cc1 ZINC000924956886 627697315 /nfs/dbraw/zinc/69/73/15/627697315.db2.gz ZHZDRVPMTHPDQY-CQSZACIVSA-N 0 1 301.346 3.101 20 5 DGBDMN Cc1c([C@@H](C)NCc2cc(C3CC3)nn2C)cccc1[N+](=O)[O-] ZINC000927098411 628013174 /nfs/dbraw/zinc/01/31/74/628013174.db2.gz IRASMNDBHITVON-GFCCVEGCSA-N 0 1 314.389 3.365 20 5 DGBDMN Cc1nc2ccc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000819627863 628174423 /nfs/dbraw/zinc/17/44/23/628174423.db2.gz HIOMANWLOJBQSF-WTKPLQERSA-N 0 1 322.324 3.431 20 5 DGBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000840419288 628344441 /nfs/dbraw/zinc/34/44/41/628344441.db2.gz WVJXNKBCLBKKLF-MFTBITAVSA-N 0 1 320.414 3.198 20 5 DGBDMN O=C(Nc1cc(Cl)ccc1OC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840426622 628346297 /nfs/dbraw/zinc/34/62/97/628346297.db2.gz QYGYKPKVZUJYNZ-DGCLKSJQSA-N 0 1 324.764 3.265 20 5 DGBDMN C[C@@H](c1ccccc1)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000823826400 628599852 /nfs/dbraw/zinc/59/98/52/628599852.db2.gz JDOUHVUXTJFXPR-APHBMKBZSA-N 0 1 302.374 3.184 20 5 DGBDMN CC(C)c1nc(CNc2nc3ccc([N+](=O)[O-])cc3s2)n[nH]1 ZINC000828512031 629061444 /nfs/dbraw/zinc/06/14/44/629061444.db2.gz YSCMNEIXXIXKCB-UHFFFAOYSA-N 0 1 318.362 3.058 20 5 DGBDMN Cc1nc(C(C)C)oc1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837741465 630306234 /nfs/dbraw/zinc/30/62/34/630306234.db2.gz XQZJBHUGNIQMTM-UHFFFAOYSA-N 0 1 320.301 3.077 20 5 DGBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNc2nccn2C2CC2)c1 ZINC000840887880 630373085 /nfs/dbraw/zinc/37/30/85/630373085.db2.gz ZAXWCDXHHWHLCH-UHFFFAOYSA-N 0 1 324.287 3.340 20 5 DGBDMN O=C([O-])[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000840995811 630392509 /nfs/dbraw/zinc/39/25/09/630392509.db2.gz ZQNXESWFJOLHAK-LJQANCHMSA-N 0 1 321.376 3.278 20 5 DGBDMN CCc1cc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000841762266 630463233 /nfs/dbraw/zinc/46/32/33/630463233.db2.gz IPDREWLDTIWBPM-QGZVFWFLSA-N 0 1 314.389 3.438 20 5 DGBDMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218652 630634572 /nfs/dbraw/zinc/63/45/72/630634572.db2.gz AHVUXMMRJDOVGW-MRVPVSSYSA-N 0 1 310.379 3.403 20 5 DGBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844935940 630992424 /nfs/dbraw/zinc/99/24/24/630992424.db2.gz FYEDKJAMVBMVNT-SNVBAGLBSA-N 0 1 321.160 3.197 20 5 DGBDMN CCOC(CN(CC)Cc1cccc([N+](=O)[O-])c1C)OCC ZINC000846970946 631369664 /nfs/dbraw/zinc/36/96/64/631369664.db2.gz NTWRBOIAEHKJFE-UHFFFAOYSA-N 0 1 310.394 3.124 20 5 DGBDMN CCCN(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848478570 631667271 /nfs/dbraw/zinc/66/72/71/631667271.db2.gz OTSAJHWXHKQAKX-UHFFFAOYSA-N 0 1 300.362 3.290 20 5 DGBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1C[C@@H](O)c2ccccc21 ZINC000850527963 632181379 /nfs/dbraw/zinc/18/13/79/632181379.db2.gz ZSVDHWCSGXDXRK-XYJFISCASA-N 0 1 310.353 3.350 20 5 DGBDMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850542288 632186915 /nfs/dbraw/zinc/18/69/15/632186915.db2.gz LBLIWQXHBMTKHL-QLJPJBMISA-N 0 1 313.357 3.221 20 5 DGBDMN O=C(OC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000851153383 632325684 /nfs/dbraw/zinc/32/56/84/632325684.db2.gz YRIJTOXMDIADMY-IUCAKERBSA-N 0 1 320.267 3.448 20 5 DGBDMN C[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000852417156 632601356 /nfs/dbraw/zinc/60/13/56/632601356.db2.gz JHYAQONWKDVMPJ-LLVKDONJSA-N 0 1 307.375 3.171 20 5 DGBDMN C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1CCO ZINC000852457412 632605906 /nfs/dbraw/zinc/60/59/06/632605906.db2.gz RJUZQQXKRSYDAM-NHYWBVRUSA-N 0 1 312.797 3.231 20 5 DGBDMN O=[N+]([O-])c1ccc(CN(C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000792866514 660989642 /nfs/dbraw/zinc/98/96/42/660989642.db2.gz IFPVSFOKGYUEOG-UHFFFAOYSA-N 0 1 305.334 3.410 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CNC1([C@@H]2CCCCO2)CC1 ZINC000933371784 655708424 /nfs/dbraw/zinc/70/84/24/655708424.db2.gz VRZIQHOUFAKUDL-AWEZNQCLSA-N 0 1 310.781 3.440 20 5 DGBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](CO)C(C)(C)C ZINC000179083264 657692400 /nfs/dbraw/zinc/69/24/00/657692400.db2.gz WOVLNXVZIIJDFA-CYBMUJFWSA-N 0 1 300.786 3.087 20 5 DGBDMN CC(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)no1 ZINC000179231856 658387136 /nfs/dbraw/zinc/38/71/36/658387136.db2.gz LYMFFVGTDUJJAK-UHFFFAOYSA-N 0 1 311.244 3.237 20 5 DGBDMN Cc1ccc(CN2CCC(c3ncco3)CC2)cc1[N+](=O)[O-] ZINC000931443006 661476756 /nfs/dbraw/zinc/47/67/56/661476756.db2.gz KIVQLPBQRDJGBI-UHFFFAOYSA-N 0 1 301.346 3.271 20 5 DGBDMN CCCCC1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000934208868 661688295 /nfs/dbraw/zinc/68/82/95/661688295.db2.gz PNXWOGRZPDBGOE-UHFFFAOYSA-N 0 1 316.361 3.457 20 5 DGBDMN C[C@@H]1CC=CC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000934623979 661719377 /nfs/dbraw/zinc/71/93/77/661719377.db2.gz IRZJQKLPXHPLTD-BXUZGUMPSA-N 0 1 314.345 3.089 20 5 DGBDMN C[C@@H]1CC=CC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000934629555 661720076 /nfs/dbraw/zinc/72/00/76/661720076.db2.gz TXIWNLXARRZWEY-BXUZGUMPSA-N 0 1 314.345 3.089 20 5 DGBDMN COc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000934686112 661725758 /nfs/dbraw/zinc/72/57/58/661725758.db2.gz IWLFSTXYASXQTO-KRWDZBQOSA-N 0 1 313.357 3.239 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934700513 661727420 /nfs/dbraw/zinc/72/74/20/661727420.db2.gz SBUGSUSXUWUBMD-QGZVFWFLSA-N 0 1 313.357 3.239 20 5 DGBDMN O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000934838012 661739638 /nfs/dbraw/zinc/73/96/38/661739638.db2.gz YDZLGQXJPIKKSL-UONOGXRCSA-N 0 1 310.419 3.295 20 5 DGBDMN C[C@@H]1CCC[C@H](C2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 ZINC001587789010 1192418765 /nfs/dbraw/zinc/41/87/65/1192418765.db2.gz NQVHNFAAFOCVKI-NEPJUHHUSA-N 0 1 318.373 3.199 20 5 DGBDMN O=[N+]([O-])c1cc(F)ccc1Nc1ncc(C(F)(F)F)cn1 ZINC001210950483 1176180372 /nfs/dbraw/zinc/18/03/72/1176180372.db2.gz WTCOIJVPQAOVRW-UHFFFAOYSA-N 0 1 302.187 3.286 20 5 DGBDMN CC(C)(C(=O)Nc1ccc2cncn2c1)c1ccccc1[N+](=O)[O-] ZINC001598081545 1192761712 /nfs/dbraw/zinc/76/17/12/1192761712.db2.gz RLEPUQGEKUTDAQ-UHFFFAOYSA-N 0 1 324.340 3.159 20 5 DGBDMN O=C(Nc1cc(F)c(O)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC001598583045 1192776720 /nfs/dbraw/zinc/77/67/20/1192776720.db2.gz VGCIFLRWVKGSDX-UHFFFAOYSA-N 0 1 310.668 3.345 20 5 DGBDMN Cc1cc(NCCCCc2ccnc(N)c2)c([N+](=O)[O-])s1 ZINC001640465093 1194814621 /nfs/dbraw/zinc/81/46/21/1194814621.db2.gz OXGWVJFIDXFFIV-UHFFFAOYSA-N 0 1 306.391 3.377 20 5 DGBDMN Cc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001600420319 1192850112 /nfs/dbraw/zinc/85/01/12/1192850112.db2.gz VTQQJMINNKBZAN-SNVBAGLBSA-N 0 1 304.302 3.045 20 5 DGBDMN Cc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)nn1 ZINC001332712399 1178480677 /nfs/dbraw/zinc/48/06/77/1178480677.db2.gz RIPDZRGFSYMADA-GFCCVEGCSA-N 0 1 300.362 3.161 20 5 DGBDMN CC(C)c1noc(CCNCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001333711175 1178658759 /nfs/dbraw/zinc/65/87/59/1178658759.db2.gz OLSVJWCJSVVZCD-UHFFFAOYSA-N 0 1 324.768 3.087 20 5 DGBDMN O=C([O-])C1([N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C2CC2)CCC1 ZINC001601719663 1192942837 /nfs/dbraw/zinc/94/28/37/1192942837.db2.gz QHIAJRJRQGACRQ-UHFFFAOYSA-N 0 1 324.764 3.220 20 5 DGBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)CC2 ZINC001351144791 1180179850 /nfs/dbraw/zinc/17/98/50/1180179850.db2.gz UAYVCUXEUZFMRK-UVGIYENGSA-N 0 1 308.328 3.244 20 5 DGBDMN COc1c(O)ccc(CNC(C)(C)c2cccs2)c1[N+](=O)[O-] ZINC001351997214 1180277033 /nfs/dbraw/zinc/27/70/33/1180277033.db2.gz IHICYBVXRZDSGM-UHFFFAOYSA-N 0 1 322.386 3.395 20 5 DGBDMN Cc1[nH]nc(C(=O)N2CCCCC23CCCCCC3)c1[N+](=O)[O-] ZINC001353193947 1180488907 /nfs/dbraw/zinc/48/89/07/1180488907.db2.gz BRFFXRWLSBCLRN-UHFFFAOYSA-N 0 1 320.393 3.345 20 5 DGBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccc1)C1CCCCC1 ZINC001354823427 1180913824 /nfs/dbraw/zinc/91/38/24/1180913824.db2.gz HUCSDYNQBDUUFN-HZPDHXFCSA-N 0 1 302.374 3.013 20 5 DGBDMN O=C(O[C@@H]1CCc2c1cc(Cl)cc2Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001458469641 1182528097 /nfs/dbraw/zinc/52/80/97/1182528097.db2.gz HPKJRBBQIZMGAY-YUSALJHKSA-N 0 1 316.140 3.189 20 5 DGBDMN CN(Cc1cnc[nH]1)c1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001458481844 1182529621 /nfs/dbraw/zinc/52/96/21/1182529621.db2.gz KKQNXMQPIFHGEA-UHFFFAOYSA-N 0 1 317.736 3.156 20 5 DGBDMN COc1ccc(CNCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC001461176252 1182778000 /nfs/dbraw/zinc/77/80/00/1182778000.db2.gz ZNVCJRITFGPVHM-UHFFFAOYSA-N 0 1 311.341 3.375 20 5 DGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)C(C)(C)C1 ZINC001473365343 1183748695 /nfs/dbraw/zinc/74/86/95/1183748695.db2.gz NDXVIMZBEAXSKC-CHWSQXEVSA-N 0 1 319.405 3.290 20 5 DGBDMN CC[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001473472162 1183760886 /nfs/dbraw/zinc/76/08/86/1183760886.db2.gz MLJTXOAJUGUFNL-UONOGXRCSA-N 0 1 319.405 3.352 20 5 DGBDMN Cc1cc(C)c(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C)[nH+]1 ZINC001607620232 1193241869 /nfs/dbraw/zinc/24/18/69/1193241869.db2.gz WBHYHNHVZLSZKP-UHFFFAOYSA-N 0 1 316.313 3.192 20 5 DGBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC001473784713 1183801519 /nfs/dbraw/zinc/80/15/19/1183801519.db2.gz SCEMJLPOAGZMIT-CHWSQXEVSA-N 0 1 313.357 3.273 20 5 DGBDMN Cc1ccccc1[C@H](CO)N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001473799541 1183804612 /nfs/dbraw/zinc/80/46/12/1183804612.db2.gz DPJXGSFKWKSDSG-SFHVURJKSA-N 0 1 314.385 3.377 20 5 DGBDMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001608824858 1193305935 /nfs/dbraw/zinc/30/59/35/1193305935.db2.gz DZUSTJLYBRDSCB-HIFRSBDPSA-N 0 1 324.764 3.077 20 5 DGBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001518925537 1186857887 /nfs/dbraw/zinc/85/78/87/1186857887.db2.gz QJJYCQICVVGZQC-OAGGEKHMSA-N 0 1 318.417 3.463 20 5 DGBDMN O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC001529823042 1187581306 /nfs/dbraw/zinc/58/13/06/1187581306.db2.gz ZYSKIMUHUJGUPH-KZNAEPCWSA-N 0 1 322.364 3.122 20 5 DGBDMN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001556991289 1189033958 /nfs/dbraw/zinc/03/39/58/1189033958.db2.gz CXNZUKRVHIGFJX-KBPBESRZSA-N 0 1 306.362 3.245 20 5 DGBDMN C[C@@H](NC(=O)c1cc(F)cc(F)c1O)c1ccccc1[N+](=O)[O-] 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323.688 3.182 20 5 DGBDMN CC(C)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1O ZINC001636608101 1194624103 /nfs/dbraw/zinc/62/41/03/1194624103.db2.gz PRRQXQKOBPHTOH-UHFFFAOYSA-N 0 1 316.313 3.382 20 5 DGBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1O ZINC001637469259 1194671420 /nfs/dbraw/zinc/67/14/20/1194671420.db2.gz JHIVCFSBSRTHHT-UHFFFAOYSA-N 0 1 322.267 3.150 20 5 DGBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCC[C@@H](C)C1 ZINC001638125873 1194703821 /nfs/dbraw/zinc/70/38/21/1194703821.db2.gz WINMUHNCGKBLRM-WOPDTQHZSA-N 0 1 306.362 3.245 20 5 DGBDMN CCON(CC1CCCCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001638822998 1194739649 /nfs/dbraw/zinc/73/96/49/1194739649.db2.gz XBKANWOJFLSPFM-UHFFFAOYSA-N 0 1 322.361 3.274 20 5 DGBDMN CCC(=O)c1ccc(NC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC001651490882 1195470902 /nfs/dbraw/zinc/47/09/02/1195470902.db2.gz VPRKZUKAWHRWRW-ZDUSSCGKSA-N 0 1 305.378 3.084 20 5 DGBDMN C[C@H](NCc1ccc(-n2cncn2)cc1)c1ccccc1[N+](=O)[O-] ZINC001651510516 1195472452 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O=C(N[C@@H](c1ccccc1)C(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000351529630 433556543 /nfs/dbraw/zinc/55/65/43/433556543.db2.gz MEWJDQYLNKRDTH-ZDUSSCGKSA-N 0 1 322.267 3.037 20 5 DGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H](O)Cc1ccccc1 ZINC000293145302 433635776 /nfs/dbraw/zinc/63/57/76/433635776.db2.gz BHQSRYRIEMKNLK-GDBMZVCRSA-N 0 1 314.385 3.191 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H](O)C12CCCC2 ZINC000292826936 433598500 /nfs/dbraw/zinc/59/85/00/433598500.db2.gz TXJOLVSRMCNBNX-CQSZACIVSA-N 0 1 310.781 3.128 20 5 DGBDMN Cc1ccc2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2n1 ZINC000356514078 433599469 /nfs/dbraw/zinc/59/94/69/433599469.db2.gz PNENIJJWDZIWMK-UHFFFAOYSA-N 0 1 323.308 3.409 20 5 DGBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000456343689 433606890 /nfs/dbraw/zinc/60/68/90/433606890.db2.gz PVAPRCZAGSIDAK-BXUZGUMPSA-N 0 1 322.409 3.023 20 5 DGBDMN CC[C@H](NCc1cnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000367439588 293072150 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CC1=C(C)CN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848487058 631668763 /nfs/dbraw/zinc/66/87/63/631668763.db2.gz NLEJFEJYLLVJEB-UHFFFAOYSA-N 0 1 312.373 3.458 20 5 DGBDMN CCc1nc([C@@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000851820527 632503384 /nfs/dbraw/zinc/50/33/84/632503384.db2.gz CJDWWXBKJFTGIA-SECBINFHSA-N 0 1 323.784 3.122 20 5 DGBDMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792879389 660991098 /nfs/dbraw/zinc/99/10/98/660991098.db2.gz HIPADURREWJINJ-GRYCIOLGSA-N 0 1 307.350 3.369 20 5 DGBDMN C[C@@H]1COC[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000932492001 655577446 /nfs/dbraw/zinc/57/74/46/655577446.db2.gz NXMFHTJKKPXRBT-RDDDGLTNSA-N 0 1 305.161 3.026 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN1CCCSC[C@@H]1C1CC1 ZINC000933916107 655738343 /nfs/dbraw/zinc/73/83/43/655738343.db2.gz OMNLQOFBGSVORH-OAHLLOKOSA-N 0 1 310.394 3.451 20 5 DGBDMN Cc1nn(CN2C[C@H](c3ccccc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000246669024 658854176 /nfs/dbraw/zinc/85/41/76/658854176.db2.gz BCUWTYPGKNETJA-MLGOLLRUSA-N 0 1 314.389 3.244 20 5 DGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CCCC2)C1 ZINC000173825179 659401389 /nfs/dbraw/zinc/40/13/89/659401389.db2.gz AEGPQWWJZMHCSP-ZDUSSCGKSA-N 0 1 317.389 3.188 20 5 DGBDMN COC(C)(C)[C@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000932371030 661562533 /nfs/dbraw/zinc/56/25/33/661562533.db2.gz RXDUIKPYTWCCMY-NSHDSACASA-N 0 1 319.361 3.153 20 5 DGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(O)(C2CCC2)CC1 ZINC000932820148 661599126 /nfs/dbraw/zinc/59/91/26/661599126.db2.gz JGQCLBYXNRHLGU-CYBMUJFWSA-N 0 1 304.390 3.283 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](C3CCOCC3)C2)cs1 ZINC000933076073 661616127 /nfs/dbraw/zinc/61/61/27/661616127.db2.gz CTNYVVLVDOCYFH-CQSZACIVSA-N 0 1 310.419 3.295 20 5 DGBDMN CCOc1ccc(CCN(C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000934720022 661729699 /nfs/dbraw/zinc/72/96/99/661729699.db2.gz URUUHJTZERKETQ-UHFFFAOYSA-N 0 1 315.373 3.063 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934837871 661739581 /nfs/dbraw/zinc/73/95/81/661739581.db2.gz XGPYGSHOVRNEFM-ZIAGYGMSSA-N 0 1 322.380 3.373 20 5 DGBDMN Cc1ccc([C@H](C)NCc2cn3ccnc3s2)cc1[N+](=O)[O-] ZINC001345077031 1179522878 /nfs/dbraw/zinc/52/28/78/1179522878.db2.gz PDLBROUODLPCBV-NSHDSACASA-N 0 1 316.386 3.463 20 5 DGBDMN CCCC1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC001349498567 1179911197 /nfs/dbraw/zinc/91/11/97/1179911197.db2.gz MRJGIBJHYDPYGN-UHFFFAOYSA-N 0 1 320.389 3.394 20 5 DGBDMN COc1ccc(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC001352084365 1180293746 /nfs/dbraw/zinc/29/37/46/1180293746.db2.gz MVLZLKWOPUXVOU-LLVKDONJSA-N 0 1 319.336 3.031 20 5 DGBDMN COc1ccc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC001352084367 1180293780 /nfs/dbraw/zinc/29/37/80/1180293780.db2.gz MVLZLKWOPUXVOU-NSHDSACASA-N 0 1 319.336 3.031 20 5 DGBDMN CN(Cc1cnc[nH]1)C(=O)c1cc2ccccc2c2cccnc12 ZINC001300694091 1180878300 /nfs/dbraw/zinc/87/83/00/1180878300.db2.gz IGLULDWFZHPAGG-UHFFFAOYSA-N 0 1 316.364 3.383 20 5 DGBDMN C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(C(=O)[O-])co1 ZINC001604356769 1193069238 /nfs/dbraw/zinc/06/92/38/1193069238.db2.gz CIPTZGZAVUDRCI-NXEZZACHSA-N 0 1 304.302 3.298 20 5 DGBDMN Cc1ccc([C@@H](C)NC(=O)c2cccc(F)c2O)cc1[N+](=O)[O-] ZINC001435323613 1181804991 /nfs/dbraw/zinc/80/49/91/1181804991.db2.gz NZUJJRJAYJCSJE-SNVBAGLBSA-N 0 1 318.304 3.239 20 5 DGBDMN CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001460234392 1182665329 /nfs/dbraw/zinc/66/53/29/1182665329.db2.gz IVIUZFUHLZCZHB-UHFFFAOYSA-N 0 1 320.389 3.392 20 5 DGBDMN CCc1oc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001605890545 1193182382 /nfs/dbraw/zinc/18/23/82/1193182382.db2.gz JSBNXCLOSARYKU-SNVBAGLBSA-N 0 1 318.329 3.299 20 5 DGBDMN C[C@@]1(C2CCCCC2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001471444017 1183563977 /nfs/dbraw/zinc/56/39/77/1183563977.db2.gz IGSDAUTVOLLROZ-KRWDZBQOSA-N 0 1 318.373 3.485 20 5 DGBDMN Cc1cc(F)ccc1[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001471755282 1183586408 /nfs/dbraw/zinc/58/64/08/1183586408.db2.gz YLQXKFCMENAKAF-SNVBAGLBSA-N 0 1 318.304 3.239 20 5 DGBDMN Cc1cc(C)c2c(c1)N(Cc1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC001473605033 1183779651 /nfs/dbraw/zinc/77/96/51/1183779651.db2.gz BGSTZPQYKCLEOW-UHFFFAOYSA-N 0 1 314.341 3.316 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1COC(C)(C)C ZINC001473782363 1183800988 /nfs/dbraw/zinc/80/09/88/1183800988.db2.gz PLDAQLZTUAOTQY-OAHLLOKOSA-N 0 1 322.405 3.383 20 5 DGBDMN Cc1oc(C(=O)[O-])cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001608037834 1193274554 /nfs/dbraw/zinc/27/45/54/1193274554.db2.gz XSGFBFGDFPFHEY-UHFFFAOYSA-N 0 1 324.720 3.138 20 5 DGBDMN CC(C)(CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC001609674640 1193348276 /nfs/dbraw/zinc/34/82/76/1193348276.db2.gz WSQYWMTURBMYQB-CQSZACIVSA-N 0 1 320.389 3.275 20 5 DGBDMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001609776910 1193355425 /nfs/dbraw/zinc/35/54/25/1193355425.db2.gz BESWDXAAQFOIFD-SNVBAGLBSA-N 0 1 318.304 3.283 20 5 DGBDMN CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001524179220 1187220644 /nfs/dbraw/zinc/22/06/44/1187220644.db2.gz RPIAXJDYJDNDKM-GFCCVEGCSA-N 0 1 311.769 3.060 20 5 DGBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1OCCC(C)C ZINC001530271407 1187618080 /nfs/dbraw/zinc/61/80/80/1187618080.db2.gz KLEOFUSTUXXCQD-ZIAGYGMSSA-N 0 1 306.362 3.024 20 5 DGBDMN CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001536717756 1188027424 /nfs/dbraw/zinc/02/74/24/1188027424.db2.gz OOQCNTZFBFXYQS-HZPDHXFCSA-N 0 1 318.417 3.159 20 5 DGBDMN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001539406954 1188189388 /nfs/dbraw/zinc/18/93/88/1188189388.db2.gz RGZNMSDRIPKNRA-TZMCWYRMSA-N 0 1 323.308 3.099 20 5 DGBDMN Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001544561359 1188399467 /nfs/dbraw/zinc/39/94/67/1188399467.db2.gz RLYYRVNFMQYJIO-NUEKZKHPSA-N 0 1 304.390 3.206 20 5 DGBDMN CC(=O)Oc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001560131374 1189282316 /nfs/dbraw/zinc/28/23/16/1189282316.db2.gz BSOCPUKUUWWTHU-GFCCVEGCSA-N 0 1 314.341 3.371 20 5 DGBDMN O=[N+]([O-])c1ccc(CNC2([C@@H]3CCCO3)CCC2)c(Cl)c1 ZINC001560227445 1189294816 /nfs/dbraw/zinc/29/48/16/1189294816.db2.gz OJTKJXFXEFXAHJ-AWEZNQCLSA-N 0 1 310.781 3.440 20 5 DGBDMN O=[N+]([O-])c1cccc(Br)c1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001560546884 1189339338 /nfs/dbraw/zinc/33/93/38/1189339338.db2.gz MICFCSKKOOSOQZ-YFKFIEJBSA-N 0 1 311.179 3.245 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC001620669666 1193788453 /nfs/dbraw/zinc/78/84/53/1193788453.db2.gz XIFZTEUQZYCXNY-CVEARBPZSA-N 0 1 308.353 3.267 20 5 DGBDMN CC1(C)CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001624858855 1194018362 /nfs/dbraw/zinc/01/83/62/1194018362.db2.gz BIMHYNNOMPQXDP-KLHDSHLOSA-N 0 1 316.401 3.130 20 5 DGBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc2cccnc21 ZINC001633704469 1194451690 /nfs/dbraw/zinc/45/16/90/1194451690.db2.gz LNCCKOOMOKOXOE-UHFFFAOYSA-N 0 1 323.308 3.125 20 5 DGBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001634009604 1194469748 /nfs/dbraw/zinc/46/97/48/1194469748.db2.gz PCDUKABROBRCIF-UHFFFAOYSA-N 0 1 314.276 3.171 20 5 DGBDMN O=C(Nc1ccc2cncn2c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001636204479 1194599892 /nfs/dbraw/zinc/59/98/92/1194599892.db2.gz XDIGVDYNMUCACI-UHFFFAOYSA-N 0 1 316.704 3.148 20 5 DGBDMN C[C@H](c1ccccc1)N(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC001642328830 1194903023 /nfs/dbraw/zinc/90/30/23/1194903023.db2.gz JJWAHUHGGSRJHG-CQSZACIVSA-N 0 1 300.358 3.150 20 5 DGBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@]2(CO)c2ccccc2)c1 ZINC001648635444 1195315591 /nfs/dbraw/zinc/31/55/91/1195315591.db2.gz PLNUKZWYDWRXSN-GOSISDBHSA-N 0 1 312.369 3.078 20 5 DGBDMN Cc1cc(NCc2ccc3cncn3c2)c(F)cc1[N+](=O)[O-] ZINC001651130955 1195417804 /nfs/dbraw/zinc/41/78/04/1195417804.db2.gz DZIIQXRLIHGQGV-UHFFFAOYSA-N 0 1 300.293 3.302 20 5 DGBDMN C[C@@H](Nc1nc(Cl)nc2[nH]cnc21)c1ccccc1[N+](=O)[O-] ZINC001652195027 1195559742 /nfs/dbraw/zinc/55/97/42/1195559742.db2.gz PTFPCOVRHHBJNW-SSDOTTSWSA-N 0 1 318.724 3.088 20 5 DGBDMN CCn1cc(N(Cc2cc(O)ccc2[N+](=O)[O-])CC(C)C)cn1 ZINC001654447106 1195804504 /nfs/dbraw/zinc/80/45/04/1195804504.db2.gz MCTABLHGOAPMGF-UHFFFAOYSA-N 0 1 318.377 3.179 20 5 DGBDMN Cc1ccc2c(c1)CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001654785988 1195840134 /nfs/dbraw/zinc/84/01/34/1195840134.db2.gz RTKQBMCVWJCKHF-UHFFFAOYSA-N 0 1 312.369 3.340 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@]12CCCOC2 ZINC001655921780 1195977874 /nfs/dbraw/zinc/97/78/74/1195977874.db2.gz IMAJLAQIXRJECR-QGZVFWFLSA-N 0 1 320.389 3.139 20 5 DGBDMN C[C@@H](NCc1ccc2oc(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC001656081537 1195996036 /nfs/dbraw/zinc/99/60/36/1195996036.db2.gz CFIWDKBNHQVROY-SNVBAGLBSA-N 0 1 314.297 3.145 20 5 DGBDMN COc1ccc(CNCc2cncc3ccccc32)cc1[N+](=O)[O-] ZINC001656381620 1196034448 /nfs/dbraw/zinc/03/44/48/1196034448.db2.gz ZUMSHJFOHUKWCS-UHFFFAOYSA-N 0 1 323.352 3.441 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CNCc1cncc2ccccc21 ZINC001656999631 1196091301 /nfs/dbraw/zinc/09/13/01/1196091301.db2.gz XRDKRGVHLVNHCU-UHFFFAOYSA-N 0 1 323.352 3.441 20 5 DGBDMN CC[C@@](C)(CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC001657242386 1196122896 /nfs/dbraw/zinc/12/28/96/1196122896.db2.gz GHPHXZHCLLAPII-AWEZNQCLSA-N 0 1 300.786 3.495 20 5 DGBDMN C[C@@H](c1ccccc1)N(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC001657864793 1196189290 /nfs/dbraw/zinc/18/92/90/1196189290.db2.gz JJWAHUHGGSRJHG-AWEZNQCLSA-N 0 1 300.358 3.150 20 5 DGBDMN CC1(C)CO[C@@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001658082130 1196210442 /nfs/dbraw/zinc/21/04/42/1196210442.db2.gz KWTNFTCMVYNDLM-MRXNPFEDSA-N 0 1 304.390 3.374 20 5 DGBDMN Cc1ccc([C@@H](C)NCc2cnc(N(C)C)s2)cc1[N+](=O)[O-] ZINC001661595729 1196622879 /nfs/dbraw/zinc/62/28/79/1196622879.db2.gz ZCHBZROLNRVMEG-LLVKDONJSA-N 0 1 320.418 3.277 20 5 DGBDMN CCCC(=O)N(CCN(C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001717944447 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Cc1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000093863897 193319366 /nfs/dbraw/zinc/31/93/66/193319366.db2.gz ZLQAASSMVXWPOF-OAHLLOKOSA-N 0 1 314.389 3.146 20 5 DGBDMN O=C(c1ccc(Cl)cc1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000122066456 284212189 /nfs/dbraw/zinc/21/21/89/284212189.db2.gz IZQHFLKFEJSBAW-UHFFFAOYSA-N 0 1 318.716 3.157 20 5 DGBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC000288537492 220215685 /nfs/dbraw/zinc/21/56/85/220215685.db2.gz KPYFBQVRKHXTSO-ZBEGNZNMSA-N 0 1 320.776 3.460 20 5 DGBDMN CCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000023362484 182358167 /nfs/dbraw/zinc/35/81/67/182358167.db2.gz VRTSIEBHSBERDB-UHFFFAOYSA-N 0 1 312.376 3.103 20 5 DGBDMN COC(=O)Nc1cccc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000495685388 246296038 /nfs/dbraw/zinc/29/60/38/246296038.db2.gz DVGSEJYVGXHBOJ-UHFFFAOYSA-N 0 1 315.329 3.063 20 5 DGBDMN CC[C@@H](NCc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000151800401 284581794 /nfs/dbraw/zinc/58/17/94/284581794.db2.gz FIAROMGJKKLVGB-QGZVFWFLSA-N 0 1 300.358 3.328 20 5 DGBDMN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000152661150 284633931 /nfs/dbraw/zinc/63/39/31/284633931.db2.gz LHVFGRKICLNFCF-UHFFFAOYSA-N 0 1 324.333 3.152 20 5 DGBDMN CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000043305012 183353151 /nfs/dbraw/zinc/35/31/51/183353151.db2.gz NIQCFWGLSIIRCS-AWEZNQCLSA-N 0 1 319.748 3.147 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1cccs1)C1CC1 ZINC000269103334 207241483 /nfs/dbraw/zinc/24/14/83/207241483.db2.gz AQEXSHLKXVWEER-UHFFFAOYSA-N 0 1 318.354 3.167 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000269271872 207417984 /nfs/dbraw/zinc/41/79/84/207417984.db2.gz GSVWMKPIZXXYND-IAQYHMDHSA-N 0 1 304.346 3.095 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000337413748 253110954 /nfs/dbraw/zinc/11/09/54/253110954.db2.gz OMOCQHCSYNCWHI-DGCLKSJQSA-N 0 1 318.295 3.374 20 5 DGBDMN CCOC(=O)CC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000159059105 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CC[C@]1(C)CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344230258 254242037 /nfs/dbraw/zinc/24/20/37/254242037.db2.gz JDEHVMSQEPIFQD-MLGOLLRUSA-N 0 1 305.378 3.044 20 5 DGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2CC2)C1 ZINC000344001333 254211269 /nfs/dbraw/zinc/21/12/69/254211269.db2.gz YLUPZYRCPYNTCH-TZMCWYRMSA-N 0 1 317.389 3.044 20 5 DGBDMN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000154264460 196953342 /nfs/dbraw/zinc/95/33/42/196953342.db2.gz ONHHPVWHCWQAST-LBPRGKRZSA-N 0 1 314.341 3.312 20 5 DGBDMN Cc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000120492975 195177361 /nfs/dbraw/zinc/17/73/61/195177361.db2.gz MRLPDIJQGFZFNB-XQQFMLRXSA-N 0 1 305.378 3.103 20 5 DGBDMN COc1ccc(CN[C@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000271569875 209021711 /nfs/dbraw/zinc/02/17/11/209021711.db2.gz XBCWSUYIRRJVCL-GFCCVEGCSA-N 0 1 301.346 3.158 20 5 DGBDMN CCc1ncc(CN(C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289550065 221059468 /nfs/dbraw/zinc/05/94/68/221059468.db2.gz RBBQAKJPZWRCGT-UHFFFAOYSA-N 0 1 305.403 3.288 20 5 DGBDMN CCn1cc([C@@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000294872118 224277206 /nfs/dbraw/zinc/27/72/06/224277206.db2.gz PHRJKDFIZOGWLW-SNVBAGLBSA-N 0 1 308.769 3.315 20 5 DGBDMN COc1cncc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000289831188 221255637 /nfs/dbraw/zinc/25/56/37/221255637.db2.gz AMKYCXXIVCCBEW-UHFFFAOYSA-N 0 1 315.373 3.409 20 5 DGBDMN CCN(CCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289889772 221295831 /nfs/dbraw/zinc/29/58/31/221295831.db2.gz MHGHHDGLSVTCMP-UHFFFAOYSA-N 0 1 307.177 3.106 20 5 DGBDMN COC[C@@]1(C)CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000294951680 224335003 /nfs/dbraw/zinc/33/50/03/224335003.db2.gz MCQZBBJCXRSHTH-KRWDZBQOSA-N 0 1 315.373 3.314 20 5 DGBDMN Cc1cc(Cl)cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1O ZINC000356584177 285397454 /nfs/dbraw/zinc/39/74/54/285397454.db2.gz WMMQUFGRELCSOE-UHFFFAOYSA-N 0 1 322.704 3.220 20 5 DGBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000299498151 533659003 /nfs/dbraw/zinc/65/90/03/533659003.db2.gz BRZKHISFHUKYHA-SECBINFHSA-N 0 1 322.752 3.113 20 5 DGBDMN Cc1cc(C2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)[nH]n1 ZINC000273478723 130125704 /nfs/dbraw/zinc/12/57/04/130125704.db2.gz KTKNZVPGDGJWJY-UHFFFAOYSA-N 0 1 321.768 3.059 20 5 DGBDMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356791094 285490795 /nfs/dbraw/zinc/49/07/95/285490795.db2.gz XZSLRUNAYFSUHC-IAQYHMDHSA-N 0 1 306.362 3.341 20 5 DGBDMN CC[C@@H](CSC)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000091098787 400094729 /nfs/dbraw/zinc/09/47/29/400094729.db2.gz NHCVBTOVWZGGLE-JTQLQIEISA-N 0 1 309.391 3.309 20 5 DGBDMN CC(C)[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000303640002 400109713 /nfs/dbraw/zinc/10/97/13/400109713.db2.gz QSRWXRCIRGJRBZ-AWEZNQCLSA-N 0 1 319.405 3.291 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)c1cc[nH]c(=O)c1 ZINC000595037319 400084799 /nfs/dbraw/zinc/08/47/99/400084799.db2.gz DVMVKBKUZBAJFM-MNOVXSKESA-N 0 1 317.345 3.116 20 5 DGBDMN Cc1cc(N2CCC[C@@H](CCO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322350194 400173801 /nfs/dbraw/zinc/17/38/01/400173801.db2.gz FKKYVMGDODCYKC-ZDUSSCGKSA-N 0 1 315.373 3.050 20 5 DGBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@]2(CCSC2)C1 ZINC000595521550 400176638 /nfs/dbraw/zinc/17/66/38/400176638.db2.gz DUYFIAAKMFJZDK-OAHLLOKOSA-N 0 1 310.394 3.453 20 5 DGBDMN Cc1noc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595321449 400126374 /nfs/dbraw/zinc/12/63/74/400126374.db2.gz LWTPQNWOFDVJQQ-ZDUSSCGKSA-N 0 1 319.336 3.095 20 5 DGBDMN Cc1noc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595323497 400126808 /nfs/dbraw/zinc/12/68/08/400126808.db2.gz YXIVVWAECQBRKT-GXFFZTMASA-N 0 1 319.336 3.408 20 5 DGBDMN Cc1noc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595323494 400127339 /nfs/dbraw/zinc/12/73/39/400127339.db2.gz YXIVVWAECQBRKT-GWCFXTLKSA-N 0 1 319.336 3.408 20 5 DGBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCCC2(CCOCC2)C1 ZINC000595328533 400128899 /nfs/dbraw/zinc/12/88/99/400128899.db2.gz VVNAISKNCQJJBV-UHFFFAOYSA-N 0 1 308.353 3.127 20 5 DGBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC(C2CCOCC2)CC1 ZINC000595397216 400141650 /nfs/dbraw/zinc/14/16/50/400141650.db2.gz OURMEKNICRAINV-UHFFFAOYSA-N 0 1 322.380 3.373 20 5 DGBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000595422063 400144540 /nfs/dbraw/zinc/14/45/40/400144540.db2.gz NLJSCOGOFDTDQN-ZIAGYGMSSA-N 0 1 322.380 3.373 20 5 DGBDMN Cc1noc(CN2CC[C@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000595427951 400147127 /nfs/dbraw/zinc/14/71/27/400147127.db2.gz VDCRCAUTBZRLIQ-AWEZNQCLSA-N 0 1 301.346 3.189 20 5 DGBDMN CCOc1cc(NCc2ccc3nc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000600852039 400169631 /nfs/dbraw/zinc/16/96/31/400169631.db2.gz LAUUGUPLWKBXLV-UHFFFAOYSA-N 0 1 312.329 3.482 20 5 DGBDMN O=[N+]([O-])c1sccc1NC1CCN(Cc2cccnc2)CC1 ZINC000601154676 400250825 /nfs/dbraw/zinc/25/08/25/400250825.db2.gz SOLRNHCJOWMZOU-UHFFFAOYSA-N 0 1 318.402 3.128 20 5 DGBDMN C[C@@H]1COC2(CCCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000595814795 400268077 /nfs/dbraw/zinc/26/80/77/400268077.db2.gz JAARYUDNXBQBQT-CQSZACIVSA-N 0 1 304.390 3.171 20 5 DGBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC3(CCC3)CC1)OCCO2 ZINC000589188163 400271833 /nfs/dbraw/zinc/27/18/33/400271833.db2.gz CQZNOKOWKJGAOZ-UHFFFAOYSA-N 0 1 318.373 3.132 20 5 DGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCOc2ccccc21 ZINC000589517127 400302851 /nfs/dbraw/zinc/30/28/51/400302851.db2.gz YVFMCYOFQOFSAM-UHFFFAOYSA-N 0 1 300.314 3.090 20 5 DGBDMN Cn1cccc1[C@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093845297 400259491 /nfs/dbraw/zinc/25/94/91/400259491.db2.gz GQJPRYMIEFLBFS-QGZVFWFLSA-N 0 1 315.373 3.366 20 5 DGBDMN CC(C)[C@@H]1CCc2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C1 ZINC000601933752 400379270 /nfs/dbraw/zinc/37/92/70/400379270.db2.gz HCQAUWGYMBGYDP-BXUZGUMPSA-N 0 1 301.346 3.370 20 5 DGBDMN O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCCC2)cn1 ZINC000072521974 400386408 /nfs/dbraw/zinc/38/64/08/400386408.db2.gz PQNIQHVZFOEKCI-CQSZACIVSA-N 0 1 316.361 3.222 20 5 DGBDMN CCOc1cc(CN(C)CCOC(C)(C)C)ccc1[N+](=O)[O-] ZINC000617210293 400330569 /nfs/dbraw/zinc/33/05/69/400330569.db2.gz QVEDMPVXXXXKIM-UHFFFAOYSA-N 0 1 310.394 3.240 20 5 DGBDMN CC(=O)c1ccc(OC[C@H]2CCCCN2C(C)C)c([N+](=O)[O-])c1 ZINC000596266301 400365858 /nfs/dbraw/zinc/36/58/58/400365858.db2.gz PZPFWKCGTHXHRR-OAHLLOKOSA-N 0 1 320.389 3.439 20 5 DGBDMN O=[N+]([O-])c1ccsc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000611414299 400397139 /nfs/dbraw/zinc/39/71/39/400397139.db2.gz QWWKLEVJFZHXFR-SNVBAGLBSA-N 0 1 319.390 3.036 20 5 DGBDMN O=[N+]([O-])c1ccsc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000611414299 400397143 /nfs/dbraw/zinc/39/71/43/400397143.db2.gz QWWKLEVJFZHXFR-SNVBAGLBSA-N 0 1 319.390 3.036 20 5 DGBDMN C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611560201 400420675 /nfs/dbraw/zinc/42/06/75/400420675.db2.gz HFUYNSLTWNJUFZ-WBMJQRKESA-N 0 1 314.389 3.053 20 5 DGBDMN 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CC[C@@]1(C)CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000354099080 434617943 /nfs/dbraw/zinc/61/79/43/434617943.db2.gz BLQQTVFKJDJAPQ-INIZCTEOSA-N 0 1 306.362 3.083 20 5 DGBDMN O=[N+]([O-])c1cnc2c(c1)CN([C@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000411482635 434789817 /nfs/dbraw/zinc/78/98/17/434789817.db2.gz TXRDQTDGLFMSMY-RDJZCZTQSA-N 0 1 313.332 3.043 20 5 DGBDMN C[C@@H]1CC(C)(C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412041510 434860306 /nfs/dbraw/zinc/86/03/06/434860306.db2.gz LNOHZBAZTGYWNV-LLVKDONJSA-N 0 1 316.361 3.265 20 5 DGBDMN CC1(C)CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000555721866 434984716 /nfs/dbraw/zinc/98/47/16/434984716.db2.gz XOXBRHINEMFUHC-OCCSQVGLSA-N 0 1 317.389 3.044 20 5 DGBDMN COC(C)(C)CN(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000531575876 435103359 /nfs/dbraw/zinc/10/33/59/435103359.db2.gz NJJWSPGTDOEJKC-UHFFFAOYSA-N 0 1 310.394 3.239 20 5 DGBDMN CC(C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000467173503 435111100 /nfs/dbraw/zinc/11/11/00/435111100.db2.gz CWJMNOLNQSRGSO-KBPBESRZSA-N 0 1 319.405 3.290 20 5 DGBDMN CC[C@H](C)[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532968031 435202240 /nfs/dbraw/zinc/20/22/40/435202240.db2.gz OUNIBGHGEJCHGG-DZGCQCFKSA-N 0 1 319.405 3.434 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000580206084 435212690 /nfs/dbraw/zinc/21/26/90/435212690.db2.gz OHXUGVPRPPAPHB-XHBSWPGZSA-N 0 1 306.362 3.007 20 5 DGBDMN O=[N+]([O-])c1ccccc1CN1CCC(Nc2ccccn2)CC1 ZINC000534862055 435304121 /nfs/dbraw/zinc/30/41/21/435304121.db2.gz BDATUOHPIZLJEE-UHFFFAOYSA-N 0 1 312.373 3.066 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997469 435333595 /nfs/dbraw/zinc/33/35/95/435333595.db2.gz KUQSHNKUPAJWMA-LZWOXQAQSA-N 0 1 324.808 3.374 20 5 DGBDMN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567906021 435369926 /nfs/dbraw/zinc/36/99/26/435369926.db2.gz ATJSIXUKKURRAQ-HJHHMULASA-N 0 1 302.374 3.251 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518183721 435627332 /nfs/dbraw/zinc/62/73/32/435627332.db2.gz LBKYZPWBSWTYNR-XUJVJEKNSA-N 0 1 306.362 3.007 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000518183718 435627792 /nfs/dbraw/zinc/62/77/92/435627792.db2.gz LBKYZPWBSWTYNR-HUBLWGQQSA-N 0 1 306.362 3.007 20 5 DGBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000491579995 435774285 /nfs/dbraw/zinc/77/42/85/435774285.db2.gz WTALAZVIGZTDIM-GHMZBOCLSA-N 0 1 322.409 3.167 20 5 DGBDMN COCC1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000531701469 313481921 /nfs/dbraw/zinc/48/19/21/313481921.db2.gz YOEPPQFWTQXTQK-UHFFFAOYSA-N 0 1 302.330 3.123 20 5 DGBDMN CCC[C@H]1CCCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000541662599 314031705 /nfs/dbraw/zinc/03/17/05/314031705.db2.gz HTGOXEDKKVGWAJ-AWEZNQCLSA-N 0 1 319.405 3.496 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000543181503 314118718 /nfs/dbraw/zinc/11/87/18/314118718.db2.gz HQFDXMNBWAPONJ-LBPRGKRZSA-N 0 1 319.405 3.210 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000543181503 314118721 /nfs/dbraw/zinc/11/87/21/314118721.db2.gz HQFDXMNBWAPONJ-LBPRGKRZSA-N 0 1 319.405 3.210 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000543248058 314123969 /nfs/dbraw/zinc/12/39/69/314123969.db2.gz OFTAOEUVRVZOEA-ZDUSSCGKSA-N 0 1 319.405 3.210 20 5 DGBDMN CC(C)(C)CN(CCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543856839 314161728 /nfs/dbraw/zinc/16/17/28/314161728.db2.gz ZCOIWPRPPZTHBL-UHFFFAOYSA-N 0 1 314.813 3.479 20 5 DGBDMN Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1[N+](=O)[O-] ZINC000547147325 314346823 /nfs/dbraw/zinc/34/68/23/314346823.db2.gz WFYKJKIAQOSJEX-UHFFFAOYSA-N 0 1 321.296 3.497 20 5 DGBDMN COc1ccc(Cl)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000548446904 314448544 /nfs/dbraw/zinc/44/85/44/314448544.db2.gz HHPQPFPGRCRNOO-UHFFFAOYSA-N 0 1 322.704 3.215 20 5 DGBDMN O=C(Nc1cncc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548462831 314449974 /nfs/dbraw/zinc/44/99/74/314449974.db2.gz UYRTZUIAHIIZLA-UHFFFAOYSA-N 0 1 309.281 3.101 20 5 DGBDMN Cc1cc([C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000566357560 315337005 /nfs/dbraw/zinc/33/70/05/315337005.db2.gz CAWIOMXCKLHVJS-LLVKDONJSA-N 0 1 318.329 3.387 20 5 DGBDMN Cc1cc([C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000566357560 315337008 /nfs/dbraw/zinc/33/70/08/315337008.db2.gz CAWIOMXCKLHVJS-LLVKDONJSA-N 0 1 318.329 3.387 20 5 DGBDMN C[C@H](N[C@@H]1CCC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000566428231 315344782 /nfs/dbraw/zinc/34/47/82/315344782.db2.gz CFJHTILKYZGHIP-GXFFZTMASA-N 0 1 316.361 3.484 20 5 DGBDMN C[C@@H](N[C@@H]1CCC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000566428233 315344978 /nfs/dbraw/zinc/34/49/78/315344978.db2.gz CFJHTILKYZGHIP-ZWNOBZJWSA-N 0 1 316.361 3.484 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000576590300 316146263 /nfs/dbraw/zinc/14/62/63/316146263.db2.gz YFTXDLMKKSCTGA-LRDDRELGSA-N 0 1 306.362 3.151 20 5 DGBDMN C[C@H]1CC[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429568701 533749777 /nfs/dbraw/zinc/74/97/77/533749777.db2.gz OWKPTSUTFMEHRX-AAEUAGOBSA-N 0 1 316.361 3.265 20 5 DGBDMN COc1cccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430219130 533774681 /nfs/dbraw/zinc/77/46/81/533774681.db2.gz KXQVWEPZGJTNQY-LBPRGKRZSA-N 0 1 316.357 3.463 20 5 DGBDMN COc1cc(F)cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294718941 534009546 /nfs/dbraw/zinc/00/95/46/534009546.db2.gz JXVRALKZPFLNQD-JTQLQIEISA-N 0 1 319.336 3.176 20 5 DGBDMN C[C@H](Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000429197494 534016197 /nfs/dbraw/zinc/01/61/97/534016197.db2.gz KKIHROHVJFNNNY-YFKPBYRVSA-N 0 1 302.121 3.193 20 5 DGBDMN Cc1ccc([C@H](C)NCc2n[nH]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000432841163 534226981 /nfs/dbraw/zinc/22/69/81/534226981.db2.gz SSAWFAFEXVQZCS-NSHDSACASA-N 0 1 317.393 3.170 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)C[C@H](C)C1 ZINC000443637838 534339196 /nfs/dbraw/zinc/33/91/96/534339196.db2.gz CEFSXULYWALEBC-STQMWFEESA-N 0 1 319.405 3.210 20 5 DGBDMN CC(C)CC(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000434341213 527679536 /nfs/dbraw/zinc/67/95/36/527679536.db2.gz KSGROQYEVRQHCA-UHFFFAOYSA-N 0 1 318.377 3.273 20 5 DGBDMN CC(C)[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444748199 527779527 /nfs/dbraw/zinc/77/95/27/527779527.db2.gz HKFAUZBUZNHMLU-KGLIPLIRSA-N 0 1 319.405 3.290 20 5 DGBDMN CCCCN(CCCC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433831225 528404182 /nfs/dbraw/zinc/40/41/82/528404182.db2.gz MCBNBMBIRNFXCS-UHFFFAOYSA-N 0 1 310.398 3.484 20 5 DGBDMN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000444754624 528670429 /nfs/dbraw/zinc/67/04/29/528670429.db2.gz UTUBBAFEAMVVDP-UONOGXRCSA-N 0 1 319.405 3.290 20 5 DGBDMN CC[C@@H](c1ccccc1)N(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299547390 529256518 /nfs/dbraw/zinc/25/65/18/529256518.db2.gz INTLMOFXXKUGLC-ZDUSSCGKSA-N 0 1 316.361 3.240 20 5 DGBDMN COc1cc(CN[C@@H]2CCc3c2cccc3O)ccc1[N+](=O)[O-] ZINC000451181612 536810441 /nfs/dbraw/zinc/81/04/41/536810441.db2.gz VRHSMFFMRPTGIE-CQSZACIVSA-N 0 1 314.341 3.086 20 5 DGBDMN C[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000741016663 574523787 /nfs/dbraw/zinc/52/37/87/574523787.db2.gz IZHLZYVULRZQHW-TUAOUCFPSA-N 0 1 324.352 3.038 20 5 DGBDMN CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000741011569 574948431 /nfs/dbraw/zinc/94/84/31/574948431.db2.gz FOMKKECBQNCFNG-INIZCTEOSA-N 0 1 320.389 3.149 20 5 DGBDMN Cc1c(COC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000741016965 574948701 /nfs/dbraw/zinc/94/87/01/574948701.db2.gz KTMNTUCJTDJXFH-BZPMIXESSA-N 0 1 320.389 3.208 20 5 DGBDMN Cn1cc(C(C)(C)NCc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000742374289 574993665 /nfs/dbraw/zinc/99/36/65/574993665.db2.gz UYNVEKDUIOWKAJ-UHFFFAOYSA-N 0 1 308.769 3.007 20 5 DGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(n2cccn2)CC1 ZINC000743849451 575065172 /nfs/dbraw/zinc/06/51/72/575065172.db2.gz PUNKVBMWNBNIJG-ZDUSSCGKSA-N 0 1 300.362 3.189 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000749556663 575664460 /nfs/dbraw/zinc/66/44/60/575664460.db2.gz CFTZWGYKYMVEOH-ZIAGYGMSSA-N 0 1 324.808 3.497 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000750252418 575714405 /nfs/dbraw/zinc/71/44/05/575714405.db2.gz KGRJHUDSAZXKKK-NWDGAFQWSA-N 0 1 310.781 3.107 20 5 DGBDMN O=C(Oc1ccc(-c2cscn2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000750754482 575749284 /nfs/dbraw/zinc/74/92/84/575749284.db2.gz WVAKKENKDJSDNR-UHFFFAOYSA-N 0 1 315.310 3.266 20 5 DGBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cnc2ccccc2c1 ZINC000726331670 576017476 /nfs/dbraw/zinc/01/74/76/576017476.db2.gz GGRFQAINWGEFML-SNVBAGLBSA-N 0 1 311.297 3.389 20 5 DGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCc2ccc(O)cc2CC1 ZINC000726866431 576046262 /nfs/dbraw/zinc/04/62/62/576046262.db2.gz 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618824859 /nfs/dbraw/zinc/82/48/59/618824859.db2.gz NXJSIBGBKOYKLY-UHFFFAOYSA-N 0 1 322.386 3.277 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccc(CCO)cc1 ZINC000898172439 619220511 /nfs/dbraw/zinc/22/05/11/619220511.db2.gz ISLWROZCHDTJMU-UHFFFAOYSA-N 0 1 320.776 3.073 20 5 DGBDMN COc1cc([C@@H](C)N[C@H](C)c2cn(C)nc2C)cc([N+](=O)[O-])c1 ZINC000903090777 619714608 /nfs/dbraw/zinc/71/46/08/619714608.db2.gz HFXVWJTVBJRBBD-GHMZBOCLSA-N 0 1 318.377 3.057 20 5 DGBDMN COc1cc([C@@H](C)NCc2ccc(C)nc2)cc([N+](=O)[O-])c1 ZINC000903071578 619715433 /nfs/dbraw/zinc/71/54/33/619715433.db2.gz DRFPTJCISVTLHT-GFCCVEGCSA-N 0 1 301.346 3.158 20 5 DGBDMN C[C@@H](NCc1cc(N(C)C)ccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000903196902 619734403 /nfs/dbraw/zinc/73/44/03/619734403.db2.gz HHMOIYHUKPSRAS-LLVKDONJSA-N 0 1 318.352 3.046 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000903612156 619790504 /nfs/dbraw/zinc/79/05/04/619790504.db2.gz UVMIMSYAYPGJAJ-DCGLDWPTSA-N 0 1 318.373 3.151 20 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/nfs/dbraw/zinc/38/23/87/621382387.db2.gz KBCDJENGBYRPRH-HNBZJPLGSA-N 0 1 317.172 3.178 20 5 DGBDMN C[C@@H]1CC[C@@H](C)N1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753849976 621468868 /nfs/dbraw/zinc/46/88/68/621468868.db2.gz GQOXVSZTXZWQSD-GHMZBOCLSA-N 0 1 302.334 3.018 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc3nc[nH]c3c2)c1 ZINC000756900775 621671634 /nfs/dbraw/zinc/67/16/34/621671634.db2.gz YZWMVYBXAKDOOA-UHFFFAOYSA-N 0 1 316.748 3.414 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCCCc1nc[nH]n1 ZINC000865751891 621988297 /nfs/dbraw/zinc/98/82/97/621988297.db2.gz DGJUGHIDRZJDIC-UHFFFAOYSA-N 0 1 316.148 3.064 20 5 DGBDMN Cc1ccc(CNCc2ccnn2CC2CCC2)cc1[N+](=O)[O-] ZINC000865786765 621995662 /nfs/dbraw/zinc/99/56/62/621995662.db2.gz BPIMBBSSPFDZAQ-UHFFFAOYSA-N 0 1 314.389 3.190 20 5 DGBDMN Cc1ccc(CNCc2ccnn2CC(C)C)cc1[N+](=O)[O-] ZINC000865787459 621995962 /nfs/dbraw/zinc/99/59/62/621995962.db2.gz NHJGNKVANJEXDM-UHFFFAOYSA-N 0 1 302.378 3.046 20 5 DGBDMN O=[N+]([O-])c1cc(CN[C@H]2CCCn3nccc32)ccc1Cl ZINC000865872524 622012776 /nfs/dbraw/zinc/01/27/76/622012776.db2.gz XZUFZMIDPCIJIF-LBPRGKRZSA-N 0 1 306.753 3.069 20 5 DGBDMN COc1ccc([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000866541281 622135399 /nfs/dbraw/zinc/13/53/99/622135399.db2.gz XPKCMCYVPLLVRO-GFCCVEGCSA-N 0 1 316.357 3.468 20 5 DGBDMN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000763409034 622143867 /nfs/dbraw/zinc/14/38/67/622143867.db2.gz SDKISRRSNZYLOZ-SNVBAGLBSA-N 0 1 317.301 3.059 20 5 DGBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000763409034 622143871 /nfs/dbraw/zinc/14/38/71/622143871.db2.gz SDKISRRSNZYLOZ-SNVBAGLBSA-N 0 1 317.301 3.059 20 5 DGBDMN Cc1nn(CN2CCC3(CCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765072357 622244029 /nfs/dbraw/zinc/24/40/29/622244029.db2.gz ASHUJGMXAWPJQB-UHFFFAOYSA-N 0 1 300.362 3.086 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]3COCC[C@@H]32)ccc1Cl ZINC000768548392 622464303 /nfs/dbraw/zinc/46/43/03/622464303.db2.gz BFYAFQCMDGJSBI-JSGCOSHPSA-N 0 1 310.781 3.249 20 5 DGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(C3CC3)cc2)cs1 ZINC000768891537 622483512 /nfs/dbraw/zinc/48/35/12/622483512.db2.gz OYEGUCOEAHETMG-UHFFFAOYSA-N 0 1 324.383 3.335 20 5 DGBDMN OC[C@H]1CN(Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769397603 622524185 /nfs/dbraw/zinc/52/41/85/622524185.db2.gz PHWJNRPGFPCZBW-QGZVFWFLSA-N 0 1 307.393 3.186 20 5 DGBDMN COc1cc(C)c([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1C ZINC000770934133 622690538 /nfs/dbraw/zinc/69/05/38/622690538.db2.gz NJHZQRFZUBTFBB-LLVKDONJSA-N 0 1 318.329 3.466 20 5 DGBDMN C[C@H](NC[C@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016320 622752319 /nfs/dbraw/zinc/75/23/19/622752319.db2.gz HYYWSZZHBXJAOB-NHYWBVRUSA-N 0 1 304.321 3.118 20 5 DGBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)c1ccco1 ZINC000872021098 622756304 /nfs/dbraw/zinc/75/63/04/622756304.db2.gz OFPVDFDUOUDKOY-GXFFZTMASA-N 0 1 322.386 3.294 20 5 DGBDMN C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021701 622756382 /nfs/dbraw/zinc/75/63/82/622756382.db2.gz SPYLFJSZNPRCST-MEBBXXQBSA-N 0 1 322.311 3.257 20 5 DGBDMN Cc1csc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872021821 622756538 /nfs/dbraw/zinc/75/65/38/622756538.db2.gz RKJCRYKMVLVUJF-JTQLQIEISA-N 0 1 309.366 3.392 20 5 DGBDMN Cc1ccc([C@@H](O)CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024972 622759361 /nfs/dbraw/zinc/75/93/61/622759361.db2.gz XRUVQVKQYJAIHW-WBMJQRKESA-N 0 1 318.348 3.427 20 5 DGBDMN C[C@@H](NC[C@H](O)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028107 622760714 /nfs/dbraw/zinc/76/07/14/622760714.db2.gz NVMDVAAYXXPBAG-BMIGLBTASA-N 0 1 322.311 3.257 20 5 DGBDMN C[C@@H](NC[C@@H](O)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028111 622761044 /nfs/dbraw/zinc/76/10/44/622761044.db2.gz NVMDVAAYXXPBAG-MEBBXXQBSA-N 0 1 322.311 3.257 20 5 DGBDMN C[C@@H](NCCNc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042724 622770764 /nfs/dbraw/zinc/77/07/64/622770764.db2.gz REELWIOSTWUTQQ-GFCCVEGCSA-N 0 1 303.337 3.497 20 5 DGBDMN C[C@@H](N[C@@H](CO)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048554 622774629 /nfs/dbraw/zinc/77/46/29/622774629.db2.gz JMFNIVAPFFUFOS-RISCZKNCSA-N 0 1 310.369 3.326 20 5 DGBDMN Cc1cccnc1CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076198 622792068 /nfs/dbraw/zinc/79/20/68/622792068.db2.gz JMKDKKUZGLMFSC-LBPRGKRZSA-N 0 1 303.337 3.331 20 5 DGBDMN Cc1ccc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])nc1 ZINC000872077894 622792703 /nfs/dbraw/zinc/79/27/03/622792703.db2.gz NGPISOAHOBZAII-LBPRGKRZSA-N 0 1 303.337 3.331 20 5 DGBDMN Cc1cc(N2CC[C@H](C(C)(C)O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000872782196 622977252 /nfs/dbraw/zinc/97/72/52/622977252.db2.gz LCOANLSXGBDQJB-LBPRGKRZSA-N 0 1 315.373 3.049 20 5 DGBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000775060340 623223602 /nfs/dbraw/zinc/22/36/02/623223602.db2.gz JCERKKUMYPSYKY-GFCCVEGCSA-N 0 1 305.334 3.291 20 5 DGBDMN CCC1(CC)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000874629206 623310632 /nfs/dbraw/zinc/31/06/32/623310632.db2.gz ZYLFFSWVGFQTND-UHFFFAOYSA-N 0 1 308.382 3.236 20 5 DGBDMN COCC1(C2CCC2)CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877625057 623967532 /nfs/dbraw/zinc/96/75/32/623967532.db2.gz HECHQPBSGLWYGJ-UHFFFAOYSA-N 0 1 318.417 3.460 20 5 DGBDMN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(Cl)cc2F)cc1 ZINC000782530509 624260293 /nfs/dbraw/zinc/26/02/93/624260293.db2.gz HCUBFJDPTJZNEO-OAHLLOKOSA-N 0 1 324.739 3.211 20 5 DGBDMN C[C@H]1CCCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878450821 624281591 /nfs/dbraw/zinc/28/15/91/624281591.db2.gz ANUPQTCRHYWVFP-LBPRGKRZSA-N 0 1 316.361 3.267 20 5 DGBDMN Cc1nn(CN2C[C@H](c3ccc(C)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000782957635 624294835 /nfs/dbraw/zinc/29/48/35/624294835.db2.gz XTXCBCUAXWLJEN-XJKSGUPXSA-N 0 1 314.389 3.244 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)cs1 ZINC000879241784 624458286 /nfs/dbraw/zinc/45/82/86/624458286.db2.gz NTAXYSRWTFUOFO-GDBMZVCRSA-N 0 1 318.398 3.354 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2nccs2)C1 ZINC000880313385 624910355 /nfs/dbraw/zinc/91/03/55/624910355.db2.gz MELGZBNMKNKSOM-LLVKDONJSA-N 0 1 319.386 3.049 20 5 DGBDMN CC(C)C(N)=NOCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000786893902 624962502 /nfs/dbraw/zinc/96/25/02/624962502.db2.gz PCLLEFXNASJCKR-UHFFFAOYSA-N 0 1 316.155 3.012 20 5 DGBDMN CC1(C)CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000788376996 625144138 /nfs/dbraw/zinc/14/41/38/625144138.db2.gz SLAOOHJSGLLTKC-UHFFFAOYSA-N 0 1 320.418 3.120 20 5 DGBDMN Cc1nn(CN2CCC[C@@H]2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000026234456 625862593 /nfs/dbraw/zinc/86/25/93/625862593.db2.gz IKEDWALSGCBBSV-MRXNPFEDSA-N 0 1 314.389 3.073 20 5 DGBDMN Cc1ccc([C@@H](O)[C@H](C)NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796481047 626054895 /nfs/dbraw/zinc/05/48/95/626054895.db2.gz HALUSYXAPPTCLM-SJCJKPOMSA-N 0 1 318.348 3.254 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](c2ccccn2)C1 ZINC000798962948 626264160 /nfs/dbraw/zinc/26/41/60/626264160.db2.gz UBEZGRZDRZEWQQ-GMNBZTITSA-N 0 1 309.369 3.493 20 5 DGBDMN CSCCCN(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000799159854 626276371 /nfs/dbraw/zinc/27/63/71/626276371.db2.gz MKQMKPYOLDZVFF-UHFFFAOYSA-N 0 1 320.418 3.101 20 5 DGBDMN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC1(Cl)Cl ZINC000801600749 626411904 /nfs/dbraw/zinc/41/19/04/626411904.db2.gz UEUWHFAOGBDBEM-LLVKDONJSA-N 0 1 303.189 3.263 20 5 DGBDMN CC(C)(C)SCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000801912574 626425459 /nfs/dbraw/zinc/42/54/59/626425459.db2.gz WJUGVZALSXSGAY-UHFFFAOYSA-N 0 1 323.462 3.249 20 5 DGBDMN CCN(CC)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803615355 626624980 /nfs/dbraw/zinc/62/49/80/626624980.db2.gz RCRMOPOPTDTLQL-UHFFFAOYSA-N 0 1 307.394 3.173 20 5 DGBDMN CN(Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000840181963 626922603 /nfs/dbraw/zinc/92/26/03/626922603.db2.gz MUYFTWWODQDDMO-SJORKVTESA-N 0 1 314.389 3.407 20 5 DGBDMN C[C@@H](O)c1ncc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000809640811 626931241 /nfs/dbraw/zinc/93/12/41/626931241.db2.gz NNAKFBFNOLYFSI-SNVBAGLBSA-N 0 1 321.402 3.130 20 5 DGBDMN Cc1nc(C2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)[nH]c1C ZINC000884707473 626932167 /nfs/dbraw/zinc/93/21/67/626932167.db2.gz NAHAXFLUVPQBNX-UHFFFAOYSA-N 0 1 315.377 3.022 20 5 DGBDMN O=[N+]([O-])c1ncccc1CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000886014489 627083452 /nfs/dbraw/zinc/08/34/52/627083452.db2.gz IMKRQMUPKXZXSF-CQSZACIVSA-N 0 1 315.348 3.194 20 5 DGBDMN CCC1(CC)[C@H](N(C)Cc2cccnc2[N+](=O)[O-])C[C@@H]1OC ZINC000886075157 627099417 /nfs/dbraw/zinc/09/94/17/627099417.db2.gz CXOHFAAZHPXAQU-KGLIPLIRSA-N 0 1 307.394 3.015 20 5 DGBDMN C[C@H](Cc1cccc(F)c1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886243004 627126658 /nfs/dbraw/zinc/12/66/58/627126658.db2.gz LRWYAKGOFBPPAM-GFCCVEGCSA-N 0 1 303.337 3.192 20 5 DGBDMN COCC1(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000812828692 627426370 /nfs/dbraw/zinc/42/63/70/627426370.db2.gz 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C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000271425138 432392148 /nfs/dbraw/zinc/39/21/48/432392148.db2.gz CNSFMBLZKDICLW-BDJLRTHQSA-N 0 1 304.321 3.118 20 5 DGBDMN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184442245 432392365 /nfs/dbraw/zinc/39/23/65/432392365.db2.gz ULFIHRZVVMGDIP-KBPBESRZSA-N 0 1 321.402 3.134 20 5 DGBDMN Cc1ccc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271468675 432402831 /nfs/dbraw/zinc/40/28/31/432402831.db2.gz LJBWZLFPAGWEKR-WBMJQRKESA-N 0 1 318.348 3.427 20 5 DGBDMN CCOC[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153931102 432458350 /nfs/dbraw/zinc/45/83/50/432458350.db2.gz OOQZGWGYWOWZGN-CYBMUJFWSA-N 0 1 312.797 3.497 20 5 DGBDMN CCOC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175233983 432412898 /nfs/dbraw/zinc/41/28/98/432412898.db2.gz LBVHGQZZERHSBV-CQSZACIVSA-N 0 1 322.405 3.242 20 5 DGBDMN Cc1ccc([C@@H]2C[C@@H](C)CCN2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286492 432506926 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314.341 3.217 20 5 DGBDMN COc1ccc(CN[C@@H](C)c2cncc(C)c2)cc1[N+](=O)[O-] ZINC000274673741 432696526 /nfs/dbraw/zinc/69/65/26/432696526.db2.gz YLVSXGVACZRCMG-LBPRGKRZSA-N 0 1 301.346 3.158 20 5 DGBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000177909212 432671405 /nfs/dbraw/zinc/67/14/05/432671405.db2.gz DPPVYIHQOKKVEP-ZDUSSCGKSA-N 0 1 313.357 3.193 20 5 DGBDMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178718898 432769554 /nfs/dbraw/zinc/76/95/54/432769554.db2.gz ZFXZAJOYFLYPQZ-NEPJUHHUSA-N 0 1 302.378 3.357 20 5 DGBDMN C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266761220 432785318 /nfs/dbraw/zinc/78/53/18/432785318.db2.gz GRPOERPHRRBDEX-BZNIZROVSA-N 0 1 304.321 3.118 20 5 DGBDMN CN(C)c1cccc(CN(C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000276345668 432799290 /nfs/dbraw/zinc/79/92/90/432799290.db2.gz VEUDENCUSYWGTJ-UHFFFAOYSA-N 0 1 317.364 3.432 20 5 DGBDMN CC[C@H](C)c1nc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277431688 432849483 /nfs/dbraw/zinc/84/94/83/432849483.db2.gz NNSUYIXQCFGULV-QWRGUYRKSA-N 0 1 303.366 3.077 20 5 DGBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000277438128 432850506 /nfs/dbraw/zinc/85/05/06/432850506.db2.gz OCUSCPJFGDXIOU-NXEZZACHSA-N 0 1 304.354 3.103 20 5 DGBDMN Cc1c(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cnn1C ZINC000279022509 432926567 /nfs/dbraw/zinc/92/65/67/432926567.db2.gz HTVFDPCRDGEDDM-INIZCTEOSA-N 0 1 314.389 3.149 20 5 DGBDMN CCOc1cc(CN2CCSC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331155277 432932674 /nfs/dbraw/zinc/93/26/74/432932674.db2.gz JNHCSPHTXUYGAT-UHFFFAOYSA-N 0 1 310.419 3.321 20 5 DGBDMN C[C@H]1C[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])c2nccn21 ZINC000296329726 432897291 /nfs/dbraw/zinc/89/72/91/432897291.db2.gz GHLQPKFLMJLKPM-GXFFZTMASA-N 0 1 320.780 3.283 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000330617489 432920490 /nfs/dbraw/zinc/92/04/90/432920490.db2.gz GBIAYMNDJCBFMP-CQSZACIVSA-N 0 1 319.405 3.352 20 5 DGBDMN 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DGBDMN CC(=O)c1ccc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301121048 433422169 /nfs/dbraw/zinc/42/21/69/433422169.db2.gz YANNCHFDJNNUJU-STQMWFEESA-N 0 1 319.405 3.330 20 5 DGBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000339215468 433442595 /nfs/dbraw/zinc/44/25/95/433442595.db2.gz BPHKLGUWBZJYEZ-UHFFFAOYSA-N 0 1 300.314 3.276 20 5 DGBDMN CC(C)C[C@H](N)c1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000339368253 433533703 /nfs/dbraw/zinc/53/37/03/433533703.db2.gz WZZDPCXZOXKWCK-LJLILKBBSA-N 0 1 302.334 3.194 20 5 DGBDMN CC(C)C[C@@H](N)c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000339398044 433559661 /nfs/dbraw/zinc/55/96/61/433559661.db2.gz UMNFDKMASUSMLX-GFCCVEGCSA-N 0 1 324.768 3.268 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000456340235 433599784 /nfs/dbraw/zinc/59/97/84/433599784.db2.gz OLZCVBVMXZNYAU-BXUZGUMPSA-N 0 1 322.409 3.194 20 5 DGBDMN O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](C4CC4)C3)co2)cc1 ZINC000367046140 293016406 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Cc1ccc([C@H](C)NC(=O)c2ccc(F)cc2O)cc1[N+](=O)[O-] ZINC000436576958 434019458 /nfs/dbraw/zinc/01/94/58/434019458.db2.gz NLLNRTOVVRZEMW-JTQLQIEISA-N 0 1 318.304 3.239 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)Nc2ccc(O)c(Cl)c2)c1[N+](=O)[O-] ZINC000436628784 434042163 /nfs/dbraw/zinc/04/21/63/434042163.db2.gz HODNUVUYYTYBJO-UHFFFAOYSA-N 0 1 324.724 3.053 20 5 DGBDMN CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506209389 294266360 /nfs/dbraw/zinc/26/63/60/294266360.db2.gz JXHCQRSPKRDTLD-NHYWBVRUSA-N 0 1 306.362 3.389 20 5 DGBDMN CN(CCC1CCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507607921 294305573 /nfs/dbraw/zinc/30/55/73/294305573.db2.gz KDNGOCBCRMLOBE-UHFFFAOYSA-N 0 1 319.405 3.436 20 5 DGBDMN Cc1ccc(CN2CCC(OCC3CC3)CC2)cc1[N+](=O)[O-] ZINC000378338465 434145283 /nfs/dbraw/zinc/14/52/83/434145283.db2.gz CPVFOFAPOFVGJO-UHFFFAOYSA-N 0 1 304.390 3.294 20 5 DGBDMN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000295087647 434190593 /nfs/dbraw/zinc/19/05/93/434190593.db2.gz 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ZINC000450830255 434427825 /nfs/dbraw/zinc/42/78/25/434427825.db2.gz NPWNQJINDONEQV-AWEZNQCLSA-N 0 1 314.389 3.064 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366651112 434477166 /nfs/dbraw/zinc/47/71/66/434477166.db2.gz HJKWSXPITGAAIA-DGCLKSJQSA-N 0 1 310.781 3.107 20 5 DGBDMN C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000366701534 434489455 /nfs/dbraw/zinc/48/94/55/434489455.db2.gz ZEXZJMBHJHBSIT-SCLBCKFNSA-N 0 1 311.385 3.432 20 5 DGBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(F)cc(Cl)c1O ZINC000353877542 434492782 /nfs/dbraw/zinc/49/27/82/434492782.db2.gz OKSUVKDXIUEBAM-UHFFFAOYSA-N 0 1 324.695 3.274 20 5 DGBDMN Cc1cc(N[C@H](C)c2nnc[nH]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360067026 434501416 /nfs/dbraw/zinc/50/14/16/434501416.db2.gz UFDPPHJEWYNNSR-SSDOTTSWSA-N 0 1 315.255 3.213 20 5 DGBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc([N+](=O)[O-])s1 ZINC000353893610 434507888 /nfs/dbraw/zinc/50/78/88/434507888.db2.gz LKIOVLRDFJHXMX-UHFFFAOYSA-N 0 1 316.697 3.407 20 5 DGBDMN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1cccc2ccccc21 ZINC000341059662 434519722 /nfs/dbraw/zinc/51/97/22/434519722.db2.gz MBQKVYCVVSCPRG-GFCCVEGCSA-N 0 1 310.357 3.332 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](COC(F)F)C1 ZINC000348882629 434540898 /nfs/dbraw/zinc/54/08/98/434540898.db2.gz ZBRPSQZOKPERTA-KTLBGCOUSA-N 0 1 312.316 3.169 20 5 DGBDMN COc1ccc(CN2CCC(OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000418096183 434585783 /nfs/dbraw/zinc/58/57/83/434585783.db2.gz UZLVRWXGWIVGAQ-UHFFFAOYSA-N 0 1 320.389 3.137 20 5 DGBDMN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000418100704 434586250 /nfs/dbraw/zinc/58/62/50/434586250.db2.gz PEJHOZRMIJATMB-CYBMUJFWSA-N 0 1 300.786 3.399 20 5 DGBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000360414368 434600215 /nfs/dbraw/zinc/60/02/15/434600215.db2.gz PTUTWAMCYBWWNU-UHFFFAOYSA-N 0 1 310.313 3.340 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000360411229 434600415 /nfs/dbraw/zinc/60/04/15/434600415.db2.gz AYGIGZSRWJONHG-UHFFFAOYSA-N 0 1 310.313 3.340 20 5 DGBDMN CCC[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000466463729 435077487 /nfs/dbraw/zinc/07/74/87/435077487.db2.gz GXWHZGRWXHHJHH-AWEZNQCLSA-N 0 1 319.405 3.354 20 5 DGBDMN CCO[C@@H]1C[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000559817033 435138191 /nfs/dbraw/zinc/13/81/91/435138191.db2.gz OHUOKFYKSFSFHS-XJKSGUPXSA-N 0 1 302.330 3.122 20 5 DGBDMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000584184200 435283215 /nfs/dbraw/zinc/28/32/15/435283215.db2.gz QEXCRLVEZMKAHW-GOEBONIOSA-N 0 1 320.389 3.274 20 5 DGBDMN CCC(=O)c1ccc(N[C@@H]2CCCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000480104805 435366463 /nfs/dbraw/zinc/36/64/63/435366463.db2.gz AYQNHXNBXAMXHL-WCQYABFASA-N 0 1 305.378 3.082 20 5 DGBDMN C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567906020 435367811 /nfs/dbraw/zinc/36/78/11/435367811.db2.gz ATJSIXUKKURRAQ-GBXSZLQWSA-N 0 1 302.374 3.251 20 5 DGBDMN O=[N+]([O-])c1cccc(CN2CCC(Nc3ccccn3)CC2)c1 ZINC000536370343 435378148 /nfs/dbraw/zinc/37/81/48/435378148.db2.gz LPVZBFZEDSPJDQ-UHFFFAOYSA-N 0 1 312.373 3.066 20 5 DGBDMN CC(C)(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000483245084 435503208 /nfs/dbraw/zinc/50/32/08/435503208.db2.gz GZHGMRDJXSYFOF-CYBMUJFWSA-N 0 1 319.405 3.291 20 5 DGBDMN O=[N+]([O-])c1cccc2c1CCN(Cc1ccc3nc[nH]c3c1)C2 ZINC000538728261 435517616 /nfs/dbraw/zinc/51/76/16/435517616.db2.gz JFPBWIZLKXHOJD-UHFFFAOYSA-N 0 1 308.341 3.029 20 5 DGBDMN CCCC[C@@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569652100 435549387 /nfs/dbraw/zinc/54/93/87/435549387.db2.gz XZCHIVWUTQPWFG-CYBMUJFWSA-N 0 1 307.394 3.352 20 5 DGBDMN CCOc1cc(CN2C[C@H](C)S[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000569647984 435549432 /nfs/dbraw/zinc/54/94/32/435549432.db2.gz TYKKRGHQPVJPKS-RYUDHWBXSA-N 0 1 310.419 3.319 20 5 DGBDMN CCC[C@@H](C)[C@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803750 435616491 /nfs/dbraw/zinc/61/64/91/435616491.db2.gz 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CCc1ccc([C@@H](NCCCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544362872 314187948 /nfs/dbraw/zinc/18/79/48/314187948.db2.gz PQHUSBWLGOGCMR-KRWDZBQOSA-N 0 1 318.373 3.466 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000547161751 314347521 /nfs/dbraw/zinc/34/75/21/314347521.db2.gz JUEBGKGLZZBTBA-UHFFFAOYSA-N 0 1 321.296 3.497 20 5 DGBDMN Cc1oc(C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000563283168 315099155 /nfs/dbraw/zinc/09/91/55/315099155.db2.gz PPCGZWDQHLJBHY-JTQLQIEISA-N 0 1 318.329 3.387 20 5 DGBDMN Cc1oc(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000563283168 315099157 /nfs/dbraw/zinc/09/91/57/315099157.db2.gz PPCGZWDQHLJBHY-JTQLQIEISA-N 0 1 318.329 3.387 20 5 DGBDMN CSc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000568411107 315510201 /nfs/dbraw/zinc/51/02/01/315510201.db2.gz HSXCHUGCOFWDJE-AWEZNQCLSA-N 0 1 315.398 3.489 20 5 DGBDMN CC(C)CN(C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000180398796 323228299 /nfs/dbraw/zinc/22/82/99/323228299.db2.gz PEGUKAARROTWIA-AWEZNQCLSA-N 0 1 321.421 3.138 20 5 DGBDMN Cc1ccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180395871 323228478 /nfs/dbraw/zinc/22/84/78/323228478.db2.gz GUIJPZRAMHWQQV-ZDUSSCGKSA-N 0 1 313.357 3.193 20 5 DGBDMN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182632595 323306591 /nfs/dbraw/zinc/30/65/91/323306591.db2.gz MPLPKKLFVWJMQC-SNVBAGLBSA-N 0 1 314.769 3.022 20 5 DGBDMN C[C@H]1CC[C@H](N(CCO)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330867225 533753092 /nfs/dbraw/zinc/75/30/92/533753092.db2.gz VODYGPABHJSQOQ-AAEUAGOBSA-N 0 1 312.797 3.231 20 5 DGBDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000443317490 533827313 /nfs/dbraw/zinc/82/73/13/533827313.db2.gz XWGDPZBFLPLRTN-HFAKWTLXSA-N 0 1 312.797 3.230 20 5 DGBDMN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000443507648 534132284 /nfs/dbraw/zinc/13/22/84/534132284.db2.gz GVOWQKPBPFEVPC-DGCLKSJQSA-N 0 1 318.402 3.299 20 5 DGBDMN 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Cc1ccnc(N)c1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000893945692 618681583 /nfs/dbraw/zinc/68/15/83/618681583.db2.gz JULMYFNXJNVHTJ-UHFFFAOYSA-N 0 1 314.389 3.291 20 5 DGBDMN Cc1noc2ncc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)cc12 ZINC000894192885 618726416 /nfs/dbraw/zinc/72/64/16/618726416.db2.gz JDANWEVLQNZLTD-JTQLQIEISA-N 0 1 312.329 3.290 20 5 DGBDMN CC1(C)CC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)OC1 ZINC000895528915 618795160 /nfs/dbraw/zinc/79/51/60/618795160.db2.gz BHYMGHHYUNYLEF-GFCCVEGCSA-N 0 1 319.361 3.031 20 5 DGBDMN O=C([O-])CC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901552327 619518560 /nfs/dbraw/zinc/51/85/60/619518560.db2.gz BZRVEOIVPFARJC-BTKRWWFXSA-N 0 1 318.373 3.185 20 5 DGBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901552333 619518618 /nfs/dbraw/zinc/51/86/18/619518618.db2.gz BZRVEOIVPFARJC-ZBKLQPJUSA-N 0 1 318.373 3.185 20 5 DGBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901695684 619534478 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Cc1ccc(CNCc2cn(C)nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000865787660 621996135 /nfs/dbraw/zinc/99/61/35/621996135.db2.gz QKRARMGHCKEPRK-UHFFFAOYSA-N 0 1 316.405 3.224 20 5 DGBDMN C[C@H](CCC(C)(C)C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867945302 622195912 /nfs/dbraw/zinc/19/59/12/622195912.db2.gz TUGNGNWORUVCBU-SJKOYZFVSA-N 0 1 321.421 3.100 20 5 DGBDMN CCOc1ccc([C@H](C)NCc2cc(CC)n[nH]2)cc1[N+](=O)[O-] ZINC000768106770 622438743 /nfs/dbraw/zinc/43/87/43/622438743.db2.gz VPXFIZRWWBSFDC-NSHDSACASA-N 0 1 318.377 3.130 20 5 DGBDMN O=[N+]([O-])c1ccc(/C=C\Sc2nc(-c3cccnc3)n[nH]2)o1 ZINC000789915766 625579425 /nfs/dbraw/zinc/57/94/25/625579425.db2.gz TVRHRRZFJNOCCD-ALCCZGGFSA-N 0 1 315.314 3.131 20 5 DGBDMN Cc1nc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872021433 622755968 /nfs/dbraw/zinc/75/59/68/622755968.db2.gz QLHVNFLVTOHQQF-VIFPVBQESA-N 0 1 309.366 3.392 20 5 DGBDMN C[C@H](NC[C@H](O)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028109 622761247 /nfs/dbraw/zinc/76/12/47/622761247.db2.gz NVMDVAAYXXPBAG-BONVTDFDSA-N 0 1 322.311 3.257 20 5 DGBDMN C[C@H](NC[C@H]1CSCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043379 622770231 /nfs/dbraw/zinc/77/02/31/622770231.db2.gz XKVBDCHHILZCKT-UWVGGRQHSA-N 0 1 316.423 3.233 20 5 DGBDMN C[C@H](N[C@@H]1CCCc2cn[nH]c21)c1c(F)cccc1[N+](=O)[O-] ZINC000872049784 622775610 /nfs/dbraw/zinc/77/56/10/622775610.db2.gz VYXCYGOZHQAHGJ-JOYOIKCWSA-N 0 1 304.325 3.185 20 5 DGBDMN C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052067 622777123 /nfs/dbraw/zinc/77/71/23/622777123.db2.gz AZDCUVDBTBQXRM-NWDGAFQWSA-N 0 1 324.352 3.070 20 5 DGBDMN CC(C)c1nc([C@H](C)N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872053048 622777910 /nfs/dbraw/zinc/77/79/10/622777910.db2.gz WETULUNHQFPZAV-UWVGGRQHSA-N 0 1 321.356 3.387 20 5 DGBDMN Cc1ncsc1CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075659 622791269 /nfs/dbraw/zinc/79/12/69/622791269.db2.gz TZYGBMHIYLWZCZ-SNVBAGLBSA-N 0 1 309.366 3.392 20 5 DGBDMN CC(C)(C)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000872234852 622863521 /nfs/dbraw/zinc/86/35/21/622863521.db2.gz ZSAXROQOZAEEJM-HNNXBMFYSA-N 0 1 318.373 3.309 20 5 DGBDMN CC[C@@](C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000772905586 622952302 /nfs/dbraw/zinc/95/23/02/622952302.db2.gz ZVVGZTDTYSVGFU-QGZVFWFLSA-N 0 1 314.341 3.356 20 5 DGBDMN COCC1(C)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000773732142 623064275 /nfs/dbraw/zinc/06/42/75/623064275.db2.gz PYRLZJAAEKLFMJ-UHFFFAOYSA-N 0 1 312.797 3.497 20 5 DGBDMN COCC1(C)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000773730232 623064489 /nfs/dbraw/zinc/06/44/89/623064489.db2.gz GSIVSLFQRUPXRA-UHFFFAOYSA-N 0 1 312.797 3.497 20 5 DGBDMN COc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000873184662 623066325 /nfs/dbraw/zinc/06/63/25/623066325.db2.gz WDMBKJLOFIZKLD-GFCCVEGCSA-N 0 1 316.357 3.463 20 5 DGBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000775062630 623224576 /nfs/dbraw/zinc/22/45/76/623224576.db2.gz FJVGSSMZLNAADG-LLVKDONJSA-N 0 1 307.350 3.371 20 5 DGBDMN O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000776575975 623442177 /nfs/dbraw/zinc/44/21/77/623442177.db2.gz XSVSOFQOHIAJIS-INIZCTEOSA-N 0 1 318.398 3.354 20 5 DGBDMN CC[C@@H](NC[C@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000777007452 623484679 /nfs/dbraw/zinc/48/46/79/623484679.db2.gz MQNWMPVBBASZML-NEPJUHHUSA-N 0 1 306.284 3.213 20 5 DGBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000778245432 623631232 /nfs/dbraw/zinc/63/12/32/623631232.db2.gz LPEHYJWEUXMUHO-IAQYHMDHSA-N 0 1 312.797 3.231 20 5 DGBDMN C[C@H]1C[C@@H](CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000778994776 623717783 /nfs/dbraw/zinc/71/77/83/623717783.db2.gz KTYOUQUNNOXBDT-RYUDHWBXSA-N 0 1 312.797 3.495 20 5 DGBDMN Cc1nn(CN2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000779864389 623824386 /nfs/dbraw/zinc/82/43/86/623824386.db2.gz AXNPETFBMGGDMT-GOEBONIOSA-N 0 1 314.389 3.010 20 5 DGBDMN CC(C)(NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCCO1 ZINC000877702689 623997857 /nfs/dbraw/zinc/99/78/57/623997857.db2.gz XBHDACQWTFRDFF-CQSZACIVSA-N 0 1 319.361 3.173 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3CSC[C@@H]3C2)cc1Cl ZINC000877738583 624012757 /nfs/dbraw/zinc/01/27/57/624012757.db2.gz OPJYVIDEUQSEFE-NEPJUHHUSA-N 0 1 312.822 3.433 20 5 DGBDMN C[C@@H]1CCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877935029 624100496 /nfs/dbraw/zinc/10/04/96/624100496.db2.gz GMVAZROWUXNHSF-LLVKDONJSA-N 0 1 302.334 3.019 20 5 DGBDMN C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CCCC1 ZINC000878015101 624136050 /nfs/dbraw/zinc/13/60/50/624136050.db2.gz WJRDAVRBQRHEOU-UHFFFAOYSA-N 0 1 316.361 3.267 20 5 DGBDMN CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CCCC1 ZINC000878015101 624136053 /nfs/dbraw/zinc/13/60/53/624136053.db2.gz WJRDAVRBQRHEOU-UHFFFAOYSA-N 0 1 316.361 3.267 20 5 DGBDMN CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)C ZINC000878039061 624144917 /nfs/dbraw/zinc/14/49/17/624144917.db2.gz WOIADFPMPZYYLZ-UHFFFAOYSA-N 0 1 304.350 3.123 20 5 DGBDMN C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878332384 624247298 /nfs/dbraw/zinc/24/72/98/624247298.db2.gz NYBBQKQTRCANIP-NWDGAFQWSA-N 0 1 316.361 3.123 20 5 DGBDMN O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879239429 624457453 /nfs/dbraw/zinc/45/74/53/624457453.db2.gz APFUKCYAHWKOLK-ZWKOTPCHSA-N 0 1 312.369 3.293 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000879419306 624540445 /nfs/dbraw/zinc/54/04/45/624540445.db2.gz LFOPMJIDEFDDIE-IMJJTQAJSA-N 0 1 324.808 3.374 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000879419302 624540637 /nfs/dbraw/zinc/54/06/37/624540637.db2.gz LFOPMJIDEFDDIE-BMFZPTHFSA-N 0 1 324.808 3.374 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000879560653 624589754 /nfs/dbraw/zinc/58/97/54/624589754.db2.gz VJAPHKSXGUFCTD-NWDGAFQWSA-N 0 1 312.822 3.433 20 5 DGBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000785875829 624747904 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ABVMVEITOJYXGW-UHFFFAOYSA-N 0 1 324.340 3.296 20 5 DGBDMN Cc1cc(-c2noc([C@H]3C[C@@H](C)CCN3)n2)cc([N+](=O)[O-])c1 ZINC000823269175 628544214 /nfs/dbraw/zinc/54/42/14/628544214.db2.gz DGRZLBQAGKCFGC-TVQRCGJNSA-N 0 1 302.334 3.014 20 5 DGBDMN CC[C@H](COC)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000825298020 628747428 /nfs/dbraw/zinc/74/74/28/628747428.db2.gz SMAHBRSXLMBHPY-SNVBAGLBSA-N 0 1 307.177 3.416 20 5 DGBDMN COC[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825321574 628749031 /nfs/dbraw/zinc/74/90/31/628749031.db2.gz HLRYTCJNGXHHCF-GFCCVEGCSA-N 0 1 312.797 3.497 20 5 DGBDMN C[C@@H](O)[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000827857224 628997504 /nfs/dbraw/zinc/99/75/04/628997504.db2.gz ZBFJSXCADKRFIB-BDJLRTHQSA-N 0 1 320.776 3.460 20 5 DGBDMN CN(CCC[C@@H]1CCOC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000828021482 629015619 /nfs/dbraw/zinc/01/56/19/629015619.db2.gz RZUGLTJKZCBSEJ-GFCCVEGCSA-N 0 1 312.797 3.497 20 5 DGBDMN CCCCC[C@H](C)NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830155835 629232015 /nfs/dbraw/zinc/23/20/15/629232015.db2.gz MFZODGSURLRHHX-KBPBESRZSA-N 0 1 321.421 3.330 20 5 DGBDMN CC(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000833487776 629611131 /nfs/dbraw/zinc/61/11/31/629611131.db2.gz IHWVHQBPJSZSBS-ALCCZGGFSA-N 0 1 306.362 3.041 20 5 DGBDMN CC[C@H](OC1CCCC1)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837680821 630296431 /nfs/dbraw/zinc/29/64/31/630296431.db2.gz JJXXBNKQWQFVTB-HNNXBMFYSA-N 0 1 323.345 3.081 20 5 DGBDMN Cc1cc(F)cc(-c2nc([C@@H](N)CC(C)C)no2)c1[N+](=O)[O-] ZINC000842586128 630550373 /nfs/dbraw/zinc/55/03/73/630550373.db2.gz NLSIHIBLKVGYJE-NSHDSACASA-N 0 1 308.313 3.138 20 5 DGBDMN C[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CO1 ZINC000843432237 630658261 /nfs/dbraw/zinc/65/82/61/630658261.db2.gz KQABCTIBUSMWAI-XCBNKYQSSA-N 0 1 305.161 3.169 20 5 DGBDMN C[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CO1 ZINC000843432236 630658320 /nfs/dbraw/zinc/65/83/20/630658320.db2.gz KQABCTIBUSMWAI-OIBJUYFYSA-N 0 1 305.161 3.169 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccncc3)C2)cc1F ZINC000846907457 631347971 /nfs/dbraw/zinc/34/79/71/631347971.db2.gz HJSUZJYZAHBYHQ-AWEZNQCLSA-N 0 1 301.321 3.118 20 5 DGBDMN CCC(C)(C)N1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000848761495 631743753 /nfs/dbraw/zinc/74/37/53/631743753.db2.gz VGBUSFOPLQPXAS-UHFFFAOYSA-N 0 1 319.405 3.108 20 5 DGBDMN C[C@H](CO)[C@@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852425289 632602190 /nfs/dbraw/zinc/60/21/90/632602190.db2.gz JEQNUEKDWTYHBE-RISCZKNCSA-N 0 1 312.797 3.231 20 5 DGBDMN C[C@@H](CO)[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852422934 632602825 /nfs/dbraw/zinc/60/28/25/632602825.db2.gz NTVNJQGWCCSNGJ-SMDDNHRTSA-N 0 1 312.797 3.231 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCC1SCCS1 ZINC000703090252 660762170 /nfs/dbraw/zinc/76/21/70/660762170.db2.gz SVVSKBDGESMEFQ-UHFFFAOYSA-N 0 1 304.824 3.144 20 5 DGBDMN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000049963358 655628325 /nfs/dbraw/zinc/62/83/25/655628325.db2.gz 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661541529 /nfs/dbraw/zinc/54/15/29/661541529.db2.gz KJNVPFCGVWBXRK-UHFFFAOYSA-N 0 1 314.389 3.016 20 5 DGBDMN COc1ccc([C@@H](C)NCc2cccnc2[N+](=O)[O-])cc1C ZINC000933484407 661636141 /nfs/dbraw/zinc/63/61/41/661636141.db2.gz JYHQHLIRVLAGGA-GFCCVEGCSA-N 0 1 301.346 3.158 20 5 DGBDMN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cnn(CC2CCC2)c1 ZINC000934553994 661714620 /nfs/dbraw/zinc/71/46/20/661714620.db2.gz OFMZBDLEQAAPSV-CYBMUJFWSA-N 0 1 314.389 3.442 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCOc1ccccc1 ZINC000084439727 662200647 /nfs/dbraw/zinc/20/06/47/662200647.db2.gz FTICJVFGHFGFDO-UHFFFAOYSA-N 0 1 306.749 3.417 20 5 DGBDMN C[C@H]1CCC[C@@H](C2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 ZINC001587789011 1192418365 /nfs/dbraw/zinc/41/83/65/1192418365.db2.gz NQVHNFAAFOCVKI-NWDGAFQWSA-N 0 1 318.373 3.199 20 5 DGBDMN O=[N+]([O-])c1cccc(Br)c1CNC1(C2CC2)CC1 ZINC001334048123 1178712869 /nfs/dbraw/zinc/71/28/69/1178712869.db2.gz BTQSXPCEKIJDLL-UHFFFAOYSA-N 0 1 311.179 3.390 20 5 DGBDMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC[N+](=O)[O-] ZINC001336048766 1178985865 /nfs/dbraw/zinc/98/58/65/1178985865.db2.gz YLQXOAGAOWHVGK-VIFPVBQESA-N 0 1 309.366 3.185 20 5 DGBDMN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c2c1[C@H](C)CC2=O ZINC001342603773 1179159630 /nfs/dbraw/zinc/15/96/30/1179159630.db2.gz BAHXADUMNVSWOF-SECBINFHSA-N 0 1 314.297 3.140 20 5 DGBDMN O=C(O[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC001343432154 1179274478 /nfs/dbraw/zinc/27/44/78/1179274478.db2.gz UNALRJUWGCPCRX-IONNQARKSA-N 0 1 306.240 3.201 20 5 DGBDMN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[C@H](C)CCN2)n1 ZINC001349006748 1179864768 /nfs/dbraw/zinc/86/47/68/1179864768.db2.gz XXNHWZWSDYYDPL-RNCFNFMXSA-N 0 1 316.361 3.322 20 5 DGBDMN CC(C)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001603752887 1193029779 /nfs/dbraw/zinc/02/97/79/1193029779.db2.gz FMJZLLAJJIFGMJ-CYBMUJFWSA-N 0 1 306.362 3.161 20 5 DGBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001353524267 1180580514 /nfs/dbraw/zinc/58/05/14/1180580514.db2.gz ZDSHGOSJQIUFCG-RBSFLKMASA-N 0 1 322.792 3.449 20 5 DGBDMN Cc1cc(C[C@H](C)Nc2ccc3cc([N+](=O)[O-])ccc3n2)[nH]n1 ZINC001354130255 1180726417 /nfs/dbraw/zinc/72/64/17/1180726417.db2.gz COQPRJRAQIMPCX-JTQLQIEISA-N 0 1 311.345 3.218 20 5 DGBDMN O=[N+]([O-])c1cccnc1NCc1ccc(Nc2ccncc2)cc1 ZINC001472843944 1180907608 /nfs/dbraw/zinc/90/76/08/1180907608.db2.gz XKVKVQAZCKGTHQ-UHFFFAOYSA-N 0 1 321.340 3.162 20 5 DGBDMN CC(C)(NCc1cn2ccnc2s1)c1ccccc1[N+](=O)[O-] ZINC001356037977 1181130369 /nfs/dbraw/zinc/13/03/69/1181130369.db2.gz KIIQRYSSBJCBIS-UHFFFAOYSA-N 0 1 316.386 3.329 20 5 DGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C)C(C)(C)C1 ZINC001473365961 1181481238 /nfs/dbraw/zinc/48/12/38/1181481238.db2.gz YBMGMBNLBBAAOL-STQMWFEESA-N 0 1 319.405 3.290 20 5 DGBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)C(C)(C)C1 ZINC001473365958 1181481598 /nfs/dbraw/zinc/48/15/98/1181481598.db2.gz YBMGMBNLBBAAOL-CHWSQXEVSA-N 0 1 319.405 3.290 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001446897716 1182178746 /nfs/dbraw/zinc/17/87/46/1182178746.db2.gz UKDBQNMVKUSYLD-GFCCVEGCSA-N 0 1 322.409 3.482 20 5 DGBDMN CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001450408397 1182248981 /nfs/dbraw/zinc/24/89/81/1182248981.db2.gz MIPNABDGGJLORU-VXGBXAGGSA-N 0 1 306.362 3.247 20 5 DGBDMN Cc1cc(C(=O)Nc2cc(F)cc(F)c2O)ccc1[N+](=O)[O-] ZINC001451741678 1182274904 /nfs/dbraw/zinc/27/49/04/1182274904.db2.gz KMLMQTJOWLPYKC-UHFFFAOYSA-N 0 1 308.240 3.139 20 5 DGBDMN CC(C)c1ncc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[nH]1 ZINC001456344978 1182412086 /nfs/dbraw/zinc/41/20/86/1182412086.db2.gz MLNJGCOGGDWLHE-UHFFFAOYSA-N 0 1 322.752 3.025 20 5 DGBDMN O=C(O[C@H]1CCC[C@@H]1Cc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001459301202 1182579436 /nfs/dbraw/zinc/57/94/36/1182579436.db2.gz OOLZNNIEEDHSCK-NGFQHRJXSA-N 0 1 323.776 3.260 20 5 DGBDMN CC(C)=CCC[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001460188942 1182660886 /nfs/dbraw/zinc/66/08/86/1182660886.db2.gz OAMPVSNKSFIJAJ-LLVKDONJSA-N 0 1 316.361 3.336 20 5 DGBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC2CCC1CC2 ZINC001469733789 1183434259 /nfs/dbraw/zinc/43/42/59/1183434259.db2.gz NGTRVJSKBGTISP-CNSPOBLWSA-N 0 1 318.373 3.245 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC001473187896 1183725402 /nfs/dbraw/zinc/72/54/02/1183725402.db2.gz UJZXPVCWKQKKEH-WBVHZDCISA-N 0 1 322.405 3.239 20 5 DGBDMN C[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001473337245 1183745463 /nfs/dbraw/zinc/74/54/63/1183745463.db2.gz CRRJAATYLCUQJI-LBPRGKRZSA-N 0 1 310.357 3.332 20 5 DGBDMN Cc1cc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC001607611422 1193240804 /nfs/dbraw/zinc/24/08/04/1193240804.db2.gz FYWXNQXFYQXDQX-ZDUSSCGKSA-N 0 1 324.333 3.019 20 5 DGBDMN O=[N+]([O-])c1ccc(CCN[C@H]2COc3cc(F)cc(F)c32)cc1 ZINC001474438263 1183922599 /nfs/dbraw/zinc/92/25/99/1183922599.db2.gz FDRQDAFSPINJQF-AWEZNQCLSA-N 0 1 320.295 3.139 20 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1193395874 /nfs/dbraw/zinc/39/58/74/1193395874.db2.gz ZVWYDKPMGNOODG-MRXNPFEDSA-N 0 1 312.325 3.045 20 5 DGBDMN O=[N+]([O-])c1sccc1NCCc1cc(-c2ccncc2)[nH]n1 ZINC001612348692 1193450988 /nfs/dbraw/zinc/45/09/88/1193450988.db2.gz IZLUMFGNINYQOK-UHFFFAOYSA-N 0 1 315.358 3.096 20 5 DGBDMN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1scnc1C(F)F ZINC001524171842 1187219470 /nfs/dbraw/zinc/21/94/70/1187219470.db2.gz DYIKRELXOVGRAV-UHFFFAOYSA-N 0 1 317.248 3.380 20 5 DGBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1CCCc1ccccc1 ZINC001536445939 1188008591 /nfs/dbraw/zinc/00/85/91/1188008591.db2.gz IBEWWFOHHQSAFP-BRWVUGGUSA-N 0 1 316.401 3.056 20 5 DGBDMN CCC(CC)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC001544269385 1188385617 /nfs/dbraw/zinc/38/56/17/1188385617.db2.gz SJTLBEIRSMGCOG-AWEZNQCLSA-N 0 1 316.361 3.225 20 5 DGBDMN CCC1(C)CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001559511620 1189212122 /nfs/dbraw/zinc/21/21/22/1189212122.db2.gz FFAHHQLAYFRCEM-CYBMUJFWSA-N 0 1 319.405 3.434 20 5 DGBDMN 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CC(C)(C)[C@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330615687 432920548 /nfs/dbraw/zinc/92/05/48/432920548.db2.gz CQNQANAUFXKBOT-CQSZACIVSA-N 0 1 305.378 3.044 20 5 DGBDMN CC(C)N(CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289783289 432974750 /nfs/dbraw/zinc/97/47/50/432974750.db2.gz LFYMZTPMIZAZCB-UHFFFAOYSA-N 0 1 307.177 3.104 20 5 DGBDMN CN(C)C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290116038 432994138 /nfs/dbraw/zinc/99/41/38/432994138.db2.gz LSTYMOMAQJONKP-AWEZNQCLSA-N 0 1 323.393 3.188 20 5 DGBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000361470884 433190681 /nfs/dbraw/zinc/19/06/81/433190681.db2.gz PLQQOCMHPGWAAR-LBPRGKRZSA-N 0 1 305.378 3.044 20 5 DGBDMN CCCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000298746050 433233551 /nfs/dbraw/zinc/23/35/51/433233551.db2.gz KXAZWZODNZZYIM-UHFFFAOYSA-N 0 1 316.361 3.409 20 5 DGBDMN CCCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000298746050 433233560 /nfs/dbraw/zinc/23/35/60/433233560.db2.gz 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Cc1cc(NCc2cccnc2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000795229980 661134921 /nfs/dbraw/zinc/13/49/21/661134921.db2.gz OJDOMNDZDGRXMB-UHFFFAOYSA-N 0 1 312.304 3.020 20 5 DGBDMN C[C@H]1COC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000932491980 655577521 /nfs/dbraw/zinc/57/75/21/655577521.db2.gz NXMFHTJKKPXRBT-CPCISQLKSA-N 0 1 305.161 3.026 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CNCCOc2ccccc2)c1 ZINC000042895122 658802603 /nfs/dbraw/zinc/80/26/03/658802603.db2.gz NWOLYTWHQMJIBJ-UHFFFAOYSA-N 0 1 306.749 3.417 20 5 DGBDMN CC[C@@H](O)[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180320 659323157 /nfs/dbraw/zinc/32/31/57/659323157.db2.gz VKKBWRCGBPKTRB-LSDHHAIUSA-N 0 1 312.797 3.374 20 5 DGBDMN O=[N+]([O-])CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000930180722 661374509 /nfs/dbraw/zinc/37/45/09/661374509.db2.gz YLWQGPAGFQSHRQ-UHFFFAOYSA-N 0 1 302.296 3.162 20 5 DGBDMN Cc1nc([C@H]2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000931938231 661524418 /nfs/dbraw/zinc/52/44/18/661524418.db2.gz LPDNMCMMGUBBKT-AAEUAGOBSA-N 0 1 316.361 3.145 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H]1CCOC12CCCCC2 ZINC000933879273 661664806 /nfs/dbraw/zinc/66/48/06/661664806.db2.gz PMCGTHQASKXSJU-HNNXBMFYSA-N 0 1 308.353 3.315 20 5 DGBDMN Cc1cc(C)c(COc2cccc(C(=O)[O-])c2[N+](=O)[O-])c(C)[nH+]1 ZINC001600161053 1192797613 /nfs/dbraw/zinc/79/76/13/1192797613.db2.gz CFRXNIGGOJAJOJ-UHFFFAOYSA-N 0 1 316.313 3.192 20 5 DGBDMN O=[N+]([O-])c1ncccc1CN1CCC(c2ccc(O)cc2)CC1 ZINC001332366668 1178429850 /nfs/dbraw/zinc/42/98/50/1178429850.db2.gz ZTMDXFKMYIRBTO-UHFFFAOYSA-N 0 1 313.357 3.075 20 5 DGBDMN O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]c3c([O-])cccc13)CC2 ZINC001344427734 1179432193 /nfs/dbraw/zinc/43/21/93/1179432193.db2.gz ODTXHPOZICDLHQ-UHFFFAOYSA-N 0 1 321.336 3.411 20 5 DGBDMN O=C([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001602360424 1192974291 /nfs/dbraw/zinc/97/42/91/1192974291.db2.gz AKBCLVZVRHXWMG-UHFFFAOYSA-N 0 1 320.732 3.236 20 5 DGBDMN COc1ccc(CNc2ccc3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC001621056290 1192983065 /nfs/dbraw/zinc/98/30/65/1192983065.db2.gz TZMFJAGSMXVXIU-UHFFFAOYSA-N 0 1 313.357 3.489 20 5 DGBDMN CC(C)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001352673889 1180377889 /nfs/dbraw/zinc/37/78/89/1180377889.db2.gz VLNZWFGUTDMBGX-ZDUSSCGKSA-N 0 1 311.769 3.060 20 5 DGBDMN Cc1ccc([C@@H](C)NCc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC001355264660 1181023364 /nfs/dbraw/zinc/02/33/64/1181023364.db2.gz XLZQBVPSFYLQPI-GFCCVEGCSA-N 0 1 314.389 3.365 20 5 DGBDMN CC[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC001473563486 1183773664 /nfs/dbraw/zinc/77/36/64/1183773664.db2.gz CXDKAMQMONRPEV-HOTGVXAUSA-N 0 1 322.405 3.253 20 5 DGBDMN CC(C)c1cnc(CNCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC001473981295 1183842394 /nfs/dbraw/zinc/84/23/94/1183842394.db2.gz BNEHNFNTDSUNSK-UHFFFAOYSA-N 0 1 321.402 3.343 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001607709149 1193249674 /nfs/dbraw/zinc/24/96/74/1193249674.db2.gz FFQRNFOZPHISLI-UHFFFAOYSA-N 0 1 314.341 3.233 20 5 DGBDMN C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1(C(=O)[O-])CCCCC1 ZINC001610114293 1193377240 /nfs/dbraw/zinc/37/72/40/1193377240.db2.gz AYYCTTKJJVQUDJ-VQHVLOKHSA-N 0 1 318.373 3.327 20 5 DGBDMN Cc1ccc(NCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001611775662 1193441351 /nfs/dbraw/zinc/44/13/51/1193441351.db2.gz LHDLSMLZMSYCJN-UHFFFAOYSA-N 0 1 311.385 3.373 20 5 DGBDMN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001526820181 1187392026 /nfs/dbraw/zinc/39/20/26/1187392026.db2.gz CRGNWQOHPIVHQZ-IIAWOOMASA-N 0 1 324.808 3.079 20 5 DGBDMN O=C(Nc1c(F)ccnc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001527566720 1187436285 /nfs/dbraw/zinc/43/62/85/1187436285.db2.gz NCTWQRQRUPVRGT-UHFFFAOYSA-N 0 1 313.647 3.174 20 5 DGBDMN C[C@@H]1CCCC[C@@]1(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001527668893 1187441622 /nfs/dbraw/zinc/44/16/22/1187441622.db2.gz UXKZUNZIOOIAIT-QLJPJBMISA-N 0 1 316.361 3.170 20 5 DGBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(F)c1O ZINC001528021598 1187463415 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CC[C@]1(C)CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001653448686 1195723710 /nfs/dbraw/zinc/72/37/10/1195723710.db2.gz DRDJAWQQGQAVEO-SUMWQHHRSA-N 0 1 319.405 3.434 20 5 DGBDMN CC[C@@H]1CC[C@@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001655087169 1195874293 /nfs/dbraw/zinc/87/42/93/1195874293.db2.gz XZNJGKNHXDPETM-ZIAGYGMSSA-N 0 1 319.405 3.352 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(F)(C2CC2)CC1 ZINC001656363504 1196033001 /nfs/dbraw/zinc/03/30/01/1196033001.db2.gz DGICAUTYZLZVHW-UHFFFAOYSA-N 0 1 308.353 3.318 20 5 DGBDMN C[C@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001656960446 1196087172 /nfs/dbraw/zinc/08/71/72/1196087172.db2.gz QUUPIUJVKDNGBL-NSHDSACASA-N 0 1 312.329 3.429 20 5 DGBDMN COc1ccc(CNCc2cc(F)ccc2C)cc1[N+](=O)[O-] ZINC001657136864 1196109745 /nfs/dbraw/zinc/10/97/45/1196109745.db2.gz MAAWYDHSXRSKQA-UHFFFAOYSA-N 0 1 304.321 3.341 20 5 DGBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1cccc2[nH]nnc21 ZINC001657392735 1196136261 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C[C@H](c1cccnc1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000127756007 431980032 /nfs/dbraw/zinc/98/00/32/431980032.db2.gz RZMGSZNLUBBRTG-CYBMUJFWSA-N 0 1 301.346 3.062 20 5 DGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1CC1 ZINC000053184504 431961397 /nfs/dbraw/zinc/96/13/97/431961397.db2.gz XPRISYKPFJEWTO-SNVBAGLBSA-N 0 1 302.334 3.048 20 5 DGBDMN CC(=O)Nc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173321290 432271797 /nfs/dbraw/zinc/27/17/97/432271797.db2.gz HOIMLGBSBATDJO-LBPRGKRZSA-N 0 1 313.357 3.404 20 5 DGBDMN CC(=O)Nc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173321304 432272106 /nfs/dbraw/zinc/27/21/06/432272106.db2.gz HOIMLGBSBATDJO-GFCCVEGCSA-N 0 1 313.357 3.404 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191921050 432314971 /nfs/dbraw/zinc/31/49/71/432314971.db2.gz PPNAKSOLAABTIC-WBVHZDCISA-N 0 1 316.332 3.354 20 5 DGBDMN CCc1nc([C@@H](C)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000271425151 432392689 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BLJVYAYADJQCTL-STMXVASLSA-N 0 1 300.362 3.175 20 5 DGBDMN C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543763 241165280 /nfs/dbraw/zinc/16/52/80/241165280.db2.gz CQNMWXIVIFNJGI-UKRRQHHQSA-N 0 1 312.373 3.325 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451706216 241214565 /nfs/dbraw/zinc/21/45/65/241214565.db2.gz LTWYLHWPNWBKCR-XUJVJEKNSA-N 0 1 324.808 3.231 20 5 DGBDMN Cc1cc(F)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000093930551 284014664 /nfs/dbraw/zinc/01/46/64/284014664.db2.gz JMZTUGLVSDVYIZ-UHFFFAOYSA-N 0 1 324.333 3.152 20 5 DGBDMN CC(C)[C@@H](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201274 284026939 /nfs/dbraw/zinc/02/69/39/284026939.db2.gz AIVHANAXBHZYGN-JTQLQIEISA-N 0 1 317.349 3.001 20 5 DGBDMN C[C@@H](CCO)N(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000093302965 193226570 /nfs/dbraw/zinc/22/65/70/193226570.db2.gz WLRCPZDQCDUOFA-HNNXBMFYSA-N 0 1 314.385 3.368 20 5 DGBDMN CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000120114327 284161429 /nfs/dbraw/zinc/16/14/29/284161429.db2.gz MRZFWGSUPHBNCO-WFASDCNBSA-N 0 1 319.405 3.094 20 5 DGBDMN O=[N+]([O-])c1cc(CNCc2ccncc2)cc(C(F)(F)F)c1 ZINC000487172634 245029785 /nfs/dbraw/zinc/02/97/85/245029785.db2.gz MQWFKNRIEGYRBG-UHFFFAOYSA-N 0 1 311.263 3.298 20 5 DGBDMN CCOCCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000181487481 432131391 /nfs/dbraw/zinc/13/13/91/432131391.db2.gz PBSLGXPEKJUHCS-UHFFFAOYSA-N 0 1 304.346 3.323 20 5 DGBDMN Cc1c([C@@H](C)N[C@@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000268846036 207013563 /nfs/dbraw/zinc/01/35/63/207013563.db2.gz VLWZIQVTAQVDJM-IUODEOHRSA-N 0 1 314.389 3.365 20 5 DGBDMN COC1(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000302065317 533006093 /nfs/dbraw/zinc/00/60/93/533006093.db2.gz DYBOQDIQPFWFMC-UHFFFAOYSA-N 0 1 301.346 3.432 20 5 DGBDMN CC(=O)Nc1ccccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000336872229 253016044 /nfs/dbraw/zinc/01/60/44/253016044.db2.gz LRXWNWIGQAGURC-UHFFFAOYSA-N 0 1 313.357 3.151 20 5 DGBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)c(Cl)c1 ZINC000337310655 253083542 /nfs/dbraw/zinc/08/35/42/253083542.db2.gz UTKKMYPGLKLEOP-VXGBXAGGSA-N 0 1 320.723 3.498 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289638551 285112136 /nfs/dbraw/zinc/11/21/36/285112136.db2.gz SFXWVVUXBBZFKH-HZPDHXFCSA-N 0 1 302.374 3.128 20 5 DGBDMN O=[N+]([O-])c1ccc(O)cc1CNC1(c2ccc(F)cc2)CC1 ZINC000339034772 253393555 /nfs/dbraw/zinc/39/35/55/253393555.db2.gz OQSHRAOTRMAISR-UHFFFAOYSA-N 0 1 302.305 3.218 20 5 DGBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCCc3c[nH]nc31)CCC2 ZINC000278639253 285144381 /nfs/dbraw/zinc/14/43/81/285144381.db2.gz HJWGVRKQMMOZIQ-JKSUJKDBSA-N 0 1 312.373 3.363 20 5 DGBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000157735980 197211839 /nfs/dbraw/zinc/21/18/39/197211839.db2.gz VSHQYBPWYJAQRG-OAHLLOKOSA-N 0 1 320.780 3.282 20 5 DGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC[C@H]1CCCO1 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1 316.405 3.122 20 5 DGBDMN C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331323728 533388263 /nfs/dbraw/zinc/38/82/63/533388263.db2.gz MNDDTLKTCPNCJN-NSHDSACASA-N 0 1 306.362 3.341 20 5 DGBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000449574755 533384207 /nfs/dbraw/zinc/38/42/07/533384207.db2.gz VZFSAVOXGBCBOA-KXWHGCDGSA-N 0 1 312.373 3.490 20 5 DGBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 ZINC000296723940 533504986 /nfs/dbraw/zinc/50/49/86/533504986.db2.gz NHQQTMLEOAECAZ-QWHCGFSZSA-N 0 1 319.405 3.083 20 5 DGBDMN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356635239 285420676 /nfs/dbraw/zinc/42/06/76/285420676.db2.gz OBHUQMFEYCRINE-HZMBPMFUSA-N 0 1 306.362 3.245 20 5 DGBDMN Cc1noc(CN2CCC[C@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595292590 400118378 /nfs/dbraw/zinc/11/83/78/400118378.db2.gz AYTHJFYSPFYXKN-AWEZNQCLSA-N 0 1 319.336 3.237 20 5 DGBDMN CC(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000303640003 400109766 /nfs/dbraw/zinc/10/97/66/400109766.db2.gz QSRWXRCIRGJRBZ-CQSZACIVSA-N 0 1 319.405 3.291 20 5 DGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000595279427 400115471 /nfs/dbraw/zinc/11/54/71/400115471.db2.gz LUCSWSSCTQSXIC-CQSZACIVSA-N 0 1 318.373 3.305 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)c1cc[nH]c(=O)c1 ZINC000595037318 400084963 /nfs/dbraw/zinc/08/49/63/400084963.db2.gz DVMVKBKUZBAJFM-GHMZBOCLSA-N 0 1 317.345 3.116 20 5 DGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCCCCC3)o2)cc1 ZINC000016484739 400174547 /nfs/dbraw/zinc/17/45/47/400174547.db2.gz YWYIRKNULCLQNK-UHFFFAOYSA-N 0 1 316.361 3.411 20 5 DGBDMN COc1cccc2c1OCC[C@@H]2NCc1cccc([N+](=O)[O-])c1 ZINC000609599083 400180287 /nfs/dbraw/zinc/18/02/87/400180287.db2.gz KNKGBSFYGZDLQF-HNNXBMFYSA-N 0 1 314.341 3.217 20 5 DGBDMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000600676289 400126813 /nfs/dbraw/zinc/12/68/13/400126813.db2.gz VIAWMPYDHXLRKK-XQJDBVBESA-N 0 1 318.373 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OQJGKYAZSDTJLH-UHFFFAOYSA-N 0 1 319.321 3.193 20 5 DGBDMN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611560190 400421302 /nfs/dbraw/zinc/42/13/02/400421302.db2.gz FSUYNRWNUYFXCO-MLGOLLRUSA-N 0 1 314.389 3.053 20 5 DGBDMN Cc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120512275 400445974 /nfs/dbraw/zinc/44/59/74/400445974.db2.gz MOPTYXKZIYFJNT-ZDUSSCGKSA-N 0 1 313.357 3.193 20 5 DGBDMN Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc(C)n1 ZINC000128181310 400511417 /nfs/dbraw/zinc/51/14/17/400511417.db2.gz USNOAOPPIGLSET-UHFFFAOYSA-N 0 1 316.313 3.052 20 5 DGBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C2CCC2)C1 ZINC000591061699 400480901 /nfs/dbraw/zinc/48/09/01/400480901.db2.gz DOVVIQZEFDSAJL-GXTWGEPZSA-N 0 1 317.389 3.044 20 5 DGBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000073957280 400481735 /nfs/dbraw/zinc/48/17/35/400481735.db2.gz SIJIPERAXRDECY-UHFFFAOYSA-N 0 1 319.405 3.070 20 5 DGBDMN CO[C@@H](C)c1nc(CNCCc2ccc([N+](=O)[O-])cc2)cs1 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DGBDMN CCCCCN(CCCCC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000522204419 434915923 /nfs/dbraw/zinc/91/59/23/434915923.db2.gz MQKBZMYVQZUVKA-UHFFFAOYSA-N 0 1 310.398 3.449 20 5 DGBDMN C[C@@]1(CCCO)CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492414610 434978123 /nfs/dbraw/zinc/97/81/23/434978123.db2.gz BQVZZZCWLBNWCK-HNNXBMFYSA-N 0 1 312.797 3.375 20 5 DGBDMN CCC[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000466463730 435078814 /nfs/dbraw/zinc/07/88/14/435078814.db2.gz GXWHZGRWXHHJHH-CQSZACIVSA-N 0 1 319.405 3.354 20 5 DGBDMN CCC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000466489263 435078988 /nfs/dbraw/zinc/07/89/88/435078988.db2.gz AJHGAGAMHMURIX-UONOGXRCSA-N 0 1 319.405 3.434 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCc2c1cnn2C ZINC000532196543 435146126 /nfs/dbraw/zinc/14/61/26/435146126.db2.gz YKFCIUQUWUFIAJ-BLLLJJGKSA-N 0 1 314.389 3.365 20 5 DGBDMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000584184201 435284373 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O=C([O-])c1occc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000569856863 435567969 /nfs/dbraw/zinc/56/79/69/435567969.db2.gz KJRAGDFHXQLDMN-UHFFFAOYSA-N 0 1 316.313 3.051 20 5 DGBDMN Cc1cccnc1[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000344448817 302243377 /nfs/dbraw/zinc/24/33/77/302243377.db2.gz NLXCXKASDNZJAH-INIZCTEOSA-N 0 1 315.373 3.491 20 5 DGBDMN Cc1cccnc1[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000344448819 302247026 /nfs/dbraw/zinc/24/70/26/302247026.db2.gz NLXCXKASDNZJAH-MRXNPFEDSA-N 0 1 315.373 3.491 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC(C)(C)c1cnn(C)c1 ZINC000547414222 314365420 /nfs/dbraw/zinc/36/54/20/314365420.db2.gz NEADBXQKZLWZCT-GFCCVEGCSA-N 0 1 302.378 3.223 20 5 DGBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1C ZINC000547792730 314396223 /nfs/dbraw/zinc/39/62/23/314396223.db2.gz BBOZLTBEYAWZSQ-UHFFFAOYSA-N 0 1 300.314 3.276 20 5 DGBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc2c(c1)OCO2 ZINC000563416568 315113273 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DGBDMN Cc1csc([C@@H](C)NCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000184232369 323359326 /nfs/dbraw/zinc/35/93/26/323359326.db2.gz ZOFKVLQJGRDTAU-LLVKDONJSA-N 0 1 307.375 3.089 20 5 DGBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](CO)c1ccc(F)cc1 ZINC000579613715 323894635 /nfs/dbraw/zinc/89/46/35/323894635.db2.gz AGCNZRJXXQFCIL-HOTGVXAUSA-N 0 1 316.332 3.044 20 5 DGBDMN C[C@H]1CC[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429566444 533749709 /nfs/dbraw/zinc/74/97/09/533749709.db2.gz KBARANWAAIHXLO-FZMZJTMJSA-N 0 1 316.361 3.265 20 5 DGBDMN Cc1ccc(-c2n[nH]c(NC(=O)CCC(C)(C)[N+](=O)[O-])c2C)o1 ZINC000295287713 534199852 /nfs/dbraw/zinc/19/98/52/534199852.db2.gz JFOXYWXNUBTGTG-UHFFFAOYSA-N 0 1 320.349 3.061 20 5 DGBDMN CC(C)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444774478 527777833 /nfs/dbraw/zinc/77/78/33/527777833.db2.gz WNDHIAXAWKBLRV-KBPBESRZSA-N 0 1 319.405 3.290 20 5 DGBDMN CCCCC[C@H]1CCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000444337832 528274513 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CC(C)CN(CCc1ccc(F)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746066301 575430255 /nfs/dbraw/zinc/43/02/55/575430255.db2.gz UAHNORPJMHNRRQ-UHFFFAOYSA-N 0 1 320.368 3.089 20 5 DGBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@H](CF)C1 ZINC000895569036 618801501 /nfs/dbraw/zinc/80/15/01/618801501.db2.gz RDCVUMXRJXCJNW-SECBINFHSA-N 0 1 306.259 3.405 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(O)(C2CCC2)CC1 ZINC000897035499 619004845 /nfs/dbraw/zinc/00/48/45/619004845.db2.gz UMTCBQBNQOATSG-XQRVVYSFSA-N 0 1 316.401 3.235 20 5 DGBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CC[C@H](C3CC3)O2)c(Cl)c1 ZINC000897507331 619140793 /nfs/dbraw/zinc/14/07/93/619140793.db2.gz BEMAPLGIYZMAEQ-DZGCQCFKSA-N 0 1 310.781 3.295 20 5 DGBDMN CC(C)c1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)cc1[N+](=O)[O-] ZINC000901613334 619524360 /nfs/dbraw/zinc/52/43/60/619524360.db2.gz VXYLXVAIDKLAPX-UHFFFAOYSA-N 0 1 320.389 3.405 20 5 DGBDMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000902038991 619579323 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/nfs/dbraw/zinc/70/15/74/621701574.db2.gz HQYICEIYQIPXPL-DGCLKSJQSA-N 0 1 308.403 3.489 20 5 DGBDMN Cc1ccccc1C(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1C ZINC000839725744 621716868 /nfs/dbraw/zinc/71/68/68/621716868.db2.gz JWSMRQOGDUYSMQ-IAGOWNOFSA-N 0 1 324.380 3.174 20 5 DGBDMN CC(C)(c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1)C(F)(F)F ZINC000839743817 621719283 /nfs/dbraw/zinc/71/92/83/621719283.db2.gz SFGOWBCCKDIENC-GHMZBOCLSA-N 0 1 316.279 3.130 20 5 DGBDMN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1c(F)ccc(F)c1F ZINC000120421475 621869841 /nfs/dbraw/zinc/86/98/41/621869841.db2.gz UABQVAISWVGXGU-UHFFFAOYSA-N 0 1 314.194 3.404 20 5 DGBDMN CCCc1[nH]nc(C(=O)N2CCC(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000760942609 621975404 /nfs/dbraw/zinc/97/54/04/621975404.db2.gz WIGIDIGDONIKPG-UHFFFAOYSA-N 0 1 322.409 3.169 20 5 DGBDMN O=[N+]([O-])c1ccc(N2CCN(CCCF)CC2)c(C(F)F)c1 ZINC000865902548 622017914 /nfs/dbraw/zinc/01/79/14/622017914.db2.gz XSGMRSSLQAJSAI-UHFFFAOYSA-N 0 1 317.311 3.014 20 5 DGBDMN CCc1nc([C@@H](C)Nc2nc3ccc([N+](=O)[O-])cc3s2)n[nH]1 ZINC000762568348 622084012 /nfs/dbraw/zinc/08/40/12/622084012.db2.gz CBIXFPBHDVTCJY-SSDOTTSWSA-N 0 1 318.362 3.058 20 5 DGBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806143780 622224627 /nfs/dbraw/zinc/22/46/27/622224627.db2.gz PKYBHYWDCIBZCQ-ZDUSSCGKSA-N 0 1 303.749 3.420 20 5 DGBDMN COc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000765261859 622254879 /nfs/dbraw/zinc/25/48/79/622254879.db2.gz OYZZJAFQMOMYHW-UHFFFAOYSA-N 0 1 316.357 3.210 20 5 DGBDMN O=[N+]([O-])c1ccc(/C=C/Sc2nc(-c3cccnc3)n[nH]2)o1 ZINC000789915769 625579298 /nfs/dbraw/zinc/57/92/98/625579298.db2.gz TVRHRRZFJNOCCD-FNORWQNLSA-N 0 1 315.314 3.131 20 5 DGBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)c1ccco1 ZINC000872021106 622755941 /nfs/dbraw/zinc/75/59/41/622755941.db2.gz OFPVDFDUOUDKOY-ZWNOBZJWSA-N 0 1 322.386 3.294 20 5 DGBDMN C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021702 622755954 /nfs/dbraw/zinc/75/59/54/622755954.db2.gz SPYLFJSZNPRCST-ZUZCIYMTSA-N 0 1 322.311 3.257 20 5 DGBDMN C[C@@H](N[C@@H](C)COCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872027935 622760691 /nfs/dbraw/zinc/76/06/91/622760691.db2.gz GYEMDSKZQBQEJG-DTWKUNHWSA-N 0 1 324.274 3.352 20 5 DGBDMN C[C@H](COCC(F)(F)F)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872027929 622761234 /nfs/dbraw/zinc/76/12/34/622761234.db2.gz GYEMDSKZQBQEJG-BDAKNGLRSA-N 0 1 324.274 3.352 20 5 DGBDMN C[C@H](NC[C@H](O)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031322 622763023 /nfs/dbraw/zinc/76/30/23/622763023.db2.gz IWPBXCKEWFUFNJ-NHYWBVRUSA-N 0 1 310.369 3.326 20 5 DGBDMN C[C@@H](NC[C@](C)(O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035960 622765972 /nfs/dbraw/zinc/76/59/72/622765972.db2.gz QZWTXYWMEUFZCS-PXAZEXFGSA-N 0 1 318.348 3.292 20 5 DGBDMN Cc1ccccc1[C@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036317 622766724 /nfs/dbraw/zinc/76/67/24/622766724.db2.gz RIRZNQDIXHALLT-MLGOLLRUSA-N 0 1 318.348 3.427 20 5 DGBDMN C[C@H](C[C@@H](O)c1ccco1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042320 622770566 /nfs/dbraw/zinc/77/05/66/622770566.db2.gz BQYUOWYGZNEQBV-UHIISALHSA-N 0 1 322.336 3.490 20 5 DGBDMN CC(C)[C@H](O)C1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872052321 622777451 /nfs/dbraw/zinc/77/74/51/622777451.db2.gz CFMILIICNHOAFJ-ABAIWWIYSA-N 0 1 310.369 3.182 20 5 DGBDMN CC(C)CC1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000771586486 622778135 /nfs/dbraw/zinc/77/81/35/622778135.db2.gz RKIWLYDIDGHLHW-UHFFFAOYSA-N 0 1 322.409 3.340 20 5 DGBDMN Cc1ncsc1CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075658 622791258 /nfs/dbraw/zinc/79/12/58/622791258.db2.gz TZYGBMHIYLWZCZ-JTQLQIEISA-N 0 1 309.366 3.392 20 5 DGBDMN C[C@@H](NCC[C@H](O)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872096435 622804232 /nfs/dbraw/zinc/80/42/32/622804232.db2.gz ZXFZAGVPAAGLAT-ABAIWWIYSA-N 0 1 310.369 3.326 20 5 DGBDMN CC(C)c1cc([C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)[nH]n1 ZINC000872648104 622948100 /nfs/dbraw/zinc/94/81/00/622948100.db2.gz JNLQYSDSMFUWEI-GFCCVEGCSA-N 0 1 315.377 3.220 20 5 DGBDMN C[C@@H](NCc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000772982414 622960515 /nfs/dbraw/zinc/96/05/15/622960515.db2.gz ISINWXOSLBEDIJ-GFCCVEGCSA-N 0 1 314.341 3.217 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1c(C2CC2)cnn1C ZINC000873138935 623047080 /nfs/dbraw/zinc/04/70/80/623047080.db2.gz ZNTGTTVNFXRUNZ-UHFFFAOYSA-N 0 1 314.389 3.112 20 5 DGBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(Cl)c1 ZINC000873155356 623053843 /nfs/dbraw/zinc/05/38/43/623053843.db2.gz DOVRYJIDAAFNHS-XEGUGMAKSA-N 0 1 310.781 3.295 20 5 DGBDMN O=[N+]([O-])c1ccc([C@H](O)CNCc2cscc2Cl)cc1 ZINC000777445400 623526678 /nfs/dbraw/zinc/52/66/78/623526678.db2.gz JYODXPGSPATXTA-CYBMUJFWSA-N 0 1 312.778 3.133 20 5 DGBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000126053651 623659264 /nfs/dbraw/zinc/65/92/64/623659264.db2.gz DXISBEVXZGRDAK-NSHDSACASA-N 0 1 301.302 3.354 20 5 DGBDMN Cc1nn(CN2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000779864391 623824141 /nfs/dbraw/zinc/82/41/41/623824141.db2.gz AXNPETFBMGGDMT-ZBFHGGJFSA-N 0 1 314.389 3.010 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000877742199 624014546 /nfs/dbraw/zinc/01/45/46/624014546.db2.gz XXOBXNYGFLZFED-JQWIXIFHSA-N 0 1 312.822 3.433 20 5 DGBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc(C2CC2)cs1 ZINC000781482788 624078750 /nfs/dbraw/zinc/07/87/50/624078750.db2.gz KPEYXHAKCXCTAT-SSDOTTSWSA-N 0 1 307.331 3.175 20 5 DGBDMN CCCCN(CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877907947 624087216 /nfs/dbraw/zinc/08/72/16/624087216.db2.gz MCKQTIFHMRDJMJ-UHFFFAOYSA-N 0 1 304.350 3.267 20 5 DGBDMN CC(C)[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878182398 624205857 /nfs/dbraw/zinc/20/58/57/624205857.db2.gz ILEGAEWUNSVMFT-LBPRGKRZSA-N 0 1 316.361 3.123 20 5 DGBDMN CC1(C)CCC[C@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878475619 624286265 /nfs/dbraw/zinc/28/62/65/624286265.db2.gz 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CC(C)[C@@]1(CO)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377652998 433944575 /nfs/dbraw/zinc/94/45/75/433944575.db2.gz LUBAZGUXQWDLRQ-HNNXBMFYSA-N 0 1 312.797 3.089 20 5 DGBDMN O=[N+]([O-])c1ccc(CNCc2ccc3c(c2)CCCN3)c(F)c1 ZINC000414982739 433956919 /nfs/dbraw/zinc/95/69/19/433956919.db2.gz SITXZBQMYVNLHY-UHFFFAOYSA-N 0 1 315.348 3.382 20 5 DGBDMN COc1cc(N[C@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000363451623 434062519 /nfs/dbraw/zinc/06/25/19/434062519.db2.gz ZTBCRINTRBQVJY-HNNXBMFYSA-N 0 1 313.357 3.202 20 5 DGBDMN C[C@@H](CC(C)(C)C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457229238 434063248 /nfs/dbraw/zinc/06/32/48/434063248.db2.gz OWZRYOKHFXULDF-VIFPVBQESA-N 0 1 304.350 3.026 20 5 DGBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1O ZINC000436816906 434123923 /nfs/dbraw/zinc/12/39/23/434123923.db2.gz QDELQJAUHPNBIS-UHFFFAOYSA-N 0 1 324.695 3.023 20 5 DGBDMN C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000378267397 434126731 /nfs/dbraw/zinc/12/67/31/434126731.db2.gz CPKDEFIJKRYSGD-SCLBCKFNSA-N 0 1 311.385 3.432 20 5 DGBDMN CC(C)C[C@H]1COCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000506239960 294267084 /nfs/dbraw/zinc/26/70/84/294267084.db2.gz GTLFVLZWUAHZEC-INIZCTEOSA-N 0 1 322.405 3.111 20 5 DGBDMN CC[C@H](C)n1ncc(Nc2ncc([N+](=O)[O-])c(C)n2)c1C1CC1 ZINC000450403049 434154182 /nfs/dbraw/zinc/15/41/82/434154182.db2.gz ATJQSCQQSULTFJ-VIFPVBQESA-N 0 1 316.365 3.482 20 5 DGBDMN CCS[C@H]1CCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000286213832 434196779 /nfs/dbraw/zinc/19/67/79/434196779.db2.gz QQPPJCJVLPHXFH-FZMZJTMJSA-N 0 1 321.402 3.500 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000366651111 434477452 /nfs/dbraw/zinc/47/74/52/434477452.db2.gz HJKWSXPITGAAIA-AAEUAGOBSA-N 0 1 310.781 3.107 20 5 DGBDMN CC(C)Cn1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000296093249 434504278 /nfs/dbraw/zinc/50/42/78/434504278.db2.gz RINTWWCXJXKWBY-ZDUSSCGKSA-N 0 1 302.378 3.298 20 5 DGBDMN C[C@H]1Cc2ccccc2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000525637839 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Cc1c(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000453264731 434845233 /nfs/dbraw/zinc/84/52/33/434845233.db2.gz VTBXTICBTGGSPI-QWRGUYRKSA-N 0 1 316.361 3.326 20 5 DGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC(C)(C)C[C@H]1C ZINC000412042008 434860045 /nfs/dbraw/zinc/86/00/45/434860045.db2.gz MARULWYTVBMSLS-NEPJUHHUSA-N 0 1 305.378 3.042 20 5 DGBDMN CC(C)(NCc1cnc2ccccn12)c1ccccc1[N+](=O)[O-] ZINC000492109802 434917672 /nfs/dbraw/zinc/91/76/72/434917672.db2.gz SPEODIFCZGTDHX-UHFFFAOYSA-N 0 1 310.357 3.267 20 5 DGBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2c2ccccn2)c1 ZINC000530962798 435063492 /nfs/dbraw/zinc/06/34/92/435063492.db2.gz YAWMEQVCHSRDLL-KRWDZBQOSA-N 0 1 313.357 3.206 20 5 DGBDMN CCC[C@@H]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000466491703 435080285 /nfs/dbraw/zinc/08/02/85/435080285.db2.gz XTFVQCKFWKCSBS-CQSZACIVSA-N 0 1 319.405 3.354 20 5 DGBDMN CC(C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467169884 435111335 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/nfs/dbraw/zinc/55/78/87/431557887.db2.gz HFSWLRTYAXPSSB-CQSZACIVSA-N 0 1 319.405 3.070 20 5 DGBDMN CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000030144795 431732402 /nfs/dbraw/zinc/73/24/02/431732402.db2.gz PIEYCNWWGWLZIQ-UONOGXRCSA-N 0 1 319.405 3.352 20 5 DGBDMN Cc1cc(N[C@@H]2C[C@H]3OCCC[C@@H]23)c2cc([N+](=O)[O-])ccc2n1 ZINC000302564242 280631027 /nfs/dbraw/zinc/63/10/27/280631027.db2.gz NZYRKEQFNLLZPZ-JCURWCKSSA-N 0 1 313.357 3.431 20 5 DGBDMN C[C@@H]1CCC[C@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000033101565 431807829 /nfs/dbraw/zinc/80/78/29/431807829.db2.gz FKEXGFSMGAKOHA-MNOVXSKESA-N 0 1 316.361 3.122 20 5 DGBDMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000123088112 431854862 /nfs/dbraw/zinc/85/48/62/431854862.db2.gz JJZQVRKIWHIIIH-GHMZBOCLSA-N 0 1 302.334 3.018 20 5 DGBDMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000123096139 431855525 /nfs/dbraw/zinc/85/55/25/431855525.db2.gz PLVKYVZJLGATNH-GHMZBOCLSA-N 0 1 302.334 3.018 20 5 DGBDMN O=[N+]([O-])c1cccc(CNCc2ccc3c(c2)OCCCO3)c1 ZINC000122445298 431832606 /nfs/dbraw/zinc/83/26/06/431832606.db2.gz OVEVLNKOBDZTBK-UHFFFAOYSA-N 0 1 314.341 3.046 20 5 DGBDMN C[C@@H]1C[C@H](C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406828 431910472 /nfs/dbraw/zinc/91/04/72/431910472.db2.gz IROFIICFPPLBMA-TXEJJXNPSA-N 0 1 316.361 3.123 20 5 DGBDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123763816 431874094 /nfs/dbraw/zinc/87/40/94/431874094.db2.gz HQVSWFSBXUTKHH-RISCZKNCSA-N 0 1 312.797 3.374 20 5 DGBDMN CC(C)(NCCCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000173421909 432277996 /nfs/dbraw/zinc/27/79/96/432277996.db2.gz SBSUKTJVZAJXOT-UHFFFAOYSA-N 0 1 321.402 3.345 20 5 DGBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC[C@H](C)C1 ZINC000248587111 432303336 /nfs/dbraw/zinc/30/33/36/432303336.db2.gz YAYILPBVFDFVRY-QWHCGFSZSA-N 0 1 305.378 3.044 20 5 DGBDMN CC(=O)c1ccc(N[C@H](C)c2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000270743797 432283483 /nfs/dbraw/zinc/28/34/83/432283483.db2.gz VZFJSQQIGIZEAY-SECBINFHSA-N 0 1 317.349 3.212 20 5 DGBDMN CC(C)OC(=O)C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000184478582 432396658 /nfs/dbraw/zinc/39/66/58/432396658.db2.gz PBUILWTVRCVMNS-OAHLLOKOSA-N 0 1 320.389 3.149 20 5 DGBDMN Cc1nn(C)c(C)c1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192793897 432414209 /nfs/dbraw/zinc/41/42/09/432414209.db2.gz XQCWVJWXBVEPEU-QGZVFWFLSA-N 0 1 314.389 3.112 20 5 DGBDMN Cc1c([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000192851685 432422302 /nfs/dbraw/zinc/42/23/02/432422302.db2.gz MGYSHQSWNANGBP-NEPJUHHUSA-N 0 1 302.378 3.357 20 5 DGBDMN CC[C@@H](N[C@@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192853620 432422889 /nfs/dbraw/zinc/42/28/89/432422889.db2.gz CTLURCKLTQMAID-MEDUHNTESA-N 0 1 302.378 3.439 20 5 DGBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H](CO)c1ccccc1)CCC2 ZINC000192870753 432424211 /nfs/dbraw/zinc/42/42/11/432424211.db2.gz APMKNSDSZZFQHX-ZWKOTPCHSA-N 0 1 312.369 3.295 20 5 DGBDMN Cc1ccc([C@H]2C[C@H](C)CCN2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286475 432506673 /nfs/dbraw/zinc/50/66/73/432506673.db2.gz QJZPFBJZPYNYED-TZMCWYRMSA-N 0 1 318.377 3.166 20 5 DGBDMN Cc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000263667800 432565150 /nfs/dbraw/zinc/56/51/50/432565150.db2.gz FRQUNNLETLKBSA-CQSZACIVSA-N 0 1 316.361 3.140 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263307396 432532854 /nfs/dbraw/zinc/53/28/54/432532854.db2.gz HLUHWZBMQOEVHW-DRZSPHRISA-N 0 1 306.362 3.007 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263307397 432532879 /nfs/dbraw/zinc/53/28/79/432532879.db2.gz HLUHWZBMQOEVHW-KGYLQXTDSA-N 0 1 306.362 3.007 20 5 DGBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000155121120 432539816 /nfs/dbraw/zinc/53/98/16/432539816.db2.gz PPLGWKVQQVQPRB-ZDUSSCGKSA-N 0 1 313.357 3.193 20 5 DGBDMN Cc1cc(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)[nH]n1 ZINC000273538228 432609437 /nfs/dbraw/zinc/60/94/37/432609437.db2.gz SRLCMBRXUVEHBT-UHFFFAOYSA-N 0 1 300.362 3.319 20 5 DGBDMN CCC[C@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000273598748 432616082 /nfs/dbraw/zinc/61/60/82/432616082.db2.gz RNTGGFYUEGFZMM-NSHDSACASA-N 0 1 308.382 3.236 20 5 DGBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000194673757 432567317 /nfs/dbraw/zinc/56/73/17/432567317.db2.gz XPLWNIKDXUHQAU-GFCCVEGCSA-N 0 1 314.341 3.217 20 5 DGBDMN C[C@H](N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(C)CC1 ZINC000177214157 432598841 /nfs/dbraw/zinc/59/88/41/432598841.db2.gz PKKZBTKNUPVSLK-NSHDSACASA-N 0 1 306.362 3.082 20 5 DGBDMN O=[N+]([O-])c1ccc(CCN2CCc3cccc(F)c3C2)cc1 ZINC000157882131 432632926 /nfs/dbraw/zinc/63/29/26/432632926.db2.gz MYRZKIVDINNMHY-UHFFFAOYSA-N 0 1 300.333 3.335 20 5 DGBDMN CN(CCc1nccs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157374770 432618743 /nfs/dbraw/zinc/61/87/43/432618743.db2.gz USWDQRYBQPCLDH-UHFFFAOYSA-N 0 1 311.794 3.379 20 5 DGBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000178098810 432695155 /nfs/dbraw/zinc/69/51/55/432695155.db2.gz OHGYMXCCIYNLHH-STQMWFEESA-N 0 1 319.405 3.001 20 5 DGBDMN C[C@@H](NCc1cn(C)nc1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000274469212 432672313 /nfs/dbraw/zinc/67/23/13/432672313.db2.gz JGSCYNJFCVSUEV-SECBINFHSA-N 0 1 310.304 3.117 20 5 DGBDMN Cc1c([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000177960373 432678968 /nfs/dbraw/zinc/67/89/68/432678968.db2.gz CLYOTPGTCBAUAV-VXGBXAGGSA-N 0 1 302.378 3.357 20 5 DGBDMN Cc1ccnc(NC[C@H](c2ccco2)N2CCCC2)c1[N+](=O)[O-] ZINC000265290361 432686121 /nfs/dbraw/zinc/68/61/21/432686121.db2.gz XWMOWIQCHPYLAN-CYBMUJFWSA-N 0 1 316.361 3.140 20 5 DGBDMN CC(C)N(Cc1cccs1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274627592 432690988 /nfs/dbraw/zinc/69/09/88/432690988.db2.gz MROTXJIBWVCHLC-UHFFFAOYSA-N 0 1 320.370 3.413 20 5 DGBDMN CC(=O)Nc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178644863 432762001 /nfs/dbraw/zinc/76/20/01/432762001.db2.gz ITZIGMVSCGNZKF-GFCCVEGCSA-N 0 1 313.357 3.404 20 5 DGBDMN COc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000178647695 432762057 /nfs/dbraw/zinc/76/20/57/432762057.db2.gz GGWAWZNLCTVWFM-LBPRGKRZSA-N 0 1 316.357 3.463 20 5 DGBDMN CCc1n[nH]c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000160669372 432734727 /nfs/dbraw/zinc/73/47/27/432734727.db2.gz TZSFGJBBJQVHNJ-UHFFFAOYSA-N 0 1 318.280 3.445 20 5 DGBDMN CCc1nc(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000160669372 432734731 /nfs/dbraw/zinc/73/47/31/432734731.db2.gz TZSFGJBBJQVHNJ-UHFFFAOYSA-N 0 1 318.280 3.445 20 5 DGBDMN O=[N+]([O-])c1cc(CNC[C@H](c2ccco2)N2CCCC2)cs1 ZINC000237974307 432807305 /nfs/dbraw/zinc/80/73/05/432807305.db2.gz COMNICRVGUHXAN-CYBMUJFWSA-N 0 1 321.402 3.176 20 5 DGBDMN CCC(C)(C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000277594840 432863223 /nfs/dbraw/zinc/86/32/23/432863223.db2.gz KRIGUZYQPKPNNB-OAHLLOKOSA-N 0 1 316.405 3.444 20 5 DGBDMN Cc1nc(NC[C@@H](c2ccsc2)N(C)C)ccc1[N+](=O)[O-] ZINC000268445284 432871999 /nfs/dbraw/zinc/87/19/99/432871999.db2.gz DVTGESWYICTGBV-ZDUSSCGKSA-N 0 1 306.391 3.075 20 5 DGBDMN CS[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296259586 432889428 /nfs/dbraw/zinc/88/94/28/432889428.db2.gz LUBMBQIYKRUFLR-CQSZACIVSA-N 0 1 319.386 3.187 20 5 DGBDMN COc1cc(CN2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000245703607 432856804 /nfs/dbraw/zinc/85/68/04/432856804.db2.gz DOKGPQADMHOKFY-VXGBXAGGSA-N 0 1 308.378 3.090 20 5 DGBDMN CC[C@@H]1CC[C@H](C)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330650961 432922867 /nfs/dbraw/zinc/92/28/67/432922867.db2.gz JWOOTNOSQIPBAE-QWHCGFSZSA-N 0 1 305.378 3.105 20 5 DGBDMN Cc1c(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289640694 432971069 /nfs/dbraw/zinc/97/10/69/432971069.db2.gz FPSCPIVXNWOSHF-HOTGVXAUSA-N 0 1 304.390 3.293 20 5 DGBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCCCC1 ZINC000332394265 433004294 /nfs/dbraw/zinc/00/42/94/433004294.db2.gz YAWMSODXJKBYOF-UHFFFAOYSA-N 0 1 302.378 3.483 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c(F)c1 ZINC000354429429 433074770 /nfs/dbraw/zinc/07/47/70/433074770.db2.gz LULGMUAQWRNFSB-INIZCTEOSA-N 0 1 320.364 3.125 20 5 DGBDMN CC(C)CC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361320164 433105427 /nfs/dbraw/zinc/10/54/27/433105427.db2.gz GKMNALCGPIUMHU-MRXNPFEDSA-N 0 1 306.406 3.356 20 5 DGBDMN COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000290612616 433116209 /nfs/dbraw/zinc/11/62/09/433116209.db2.gz HZYHMPJFPRXWPI-LLVKDONJSA-N 0 1 302.330 3.160 20 5 DGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc([N+](=O)[O-])cc1F ZINC000447103482 433160335 /nfs/dbraw/zinc/16/03/35/433160335.db2.gz WMKODCQCQOUSIF-UHFFFAOYSA-N 0 1 320.368 3.387 20 5 DGBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000361470883 433191283 /nfs/dbraw/zinc/19/12/83/433191283.db2.gz PLQQOCMHPGWAAR-GFCCVEGCSA-N 0 1 305.378 3.044 20 5 DGBDMN CC[N@@H+](CC1CCC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361482144 433195828 /nfs/dbraw/zinc/19/58/28/433195828.db2.gz VDCADBQYTOMPES-GFCCVEGCSA-N 0 1 305.378 3.044 20 5 DGBDMN C[C@@H](CO)N(Cc1c(Cl)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361494073 433205313 /nfs/dbraw/zinc/20/53/13/433205313.db2.gz WKGOLMYQXNMGPC-NSHDSACASA-N 0 1 312.797 3.231 20 5 DGBDMN CC(=O)c1ccc(NC[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447813413 433287187 /nfs/dbraw/zinc/28/71/87/433287187.db2.gz RRGIVFUHWLQGQA-INIZCTEOSA-N 0 1 319.405 3.330 20 5 DGBDMN O=[N+]([O-])c1ccc(NCCN2CCc3ccccc3C2)c(F)c1 ZINC000301106034 433417045 /nfs/dbraw/zinc/41/70/45/433417045.db2.gz VSNRFCVKVJEEFG-UHFFFAOYSA-N 0 1 315.348 3.204 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375350102 433437608 /nfs/dbraw/zinc/43/76/08/433437608.db2.gz SJSFIPPPFMZKFL-UHFFFAOYSA-N 0 1 315.348 3.451 20 5 DGBDMN CC(C)(NCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1F ZINC000339214167 433440627 /nfs/dbraw/zinc/44/06/27/433440627.db2.gz 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DGBDMN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331045145 432927047 /nfs/dbraw/zinc/92/70/47/432927047.db2.gz HHLUAXFZIUKJSY-AWEZNQCLSA-N 0 1 306.362 3.341 20 5 DGBDMN Cc1cnn([C@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000289988914 432980078 /nfs/dbraw/zinc/98/00/78/432980078.db2.gz SFYSBRLNNWPAKI-KBPBESRZSA-N 0 1 300.362 3.108 20 5 DGBDMN C[C@@H]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000349593198 432980279 /nfs/dbraw/zinc/98/02/79/432980279.db2.gz XOYPRLAPGYWTTH-VWYCJHECSA-N 0 1 316.361 3.026 20 5 DGBDMN Cc1cnn([C@@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000289988924 432980948 /nfs/dbraw/zinc/98/09/48/432980948.db2.gz SFYSBRLNNWPAKI-UONOGXRCSA-N 0 1 300.362 3.108 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000332335375 432998812 /nfs/dbraw/zinc/99/88/12/432998812.db2.gz MSOHXBQVMJFKKV-CHWSQXEVSA-N 0 1 319.405 3.210 20 5 DGBDMN CC[C@@H]1CCCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000331584553 432951305 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C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052069 622777400 /nfs/dbraw/zinc/77/74/00/622777400.db2.gz AZDCUVDBTBQXRM-VXGBXAGGSA-N 0 1 324.352 3.070 20 5 DGBDMN Cc1ccncc1CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083677 622795635 /nfs/dbraw/zinc/79/56/35/622795635.db2.gz DKVIGGCIXHIENK-LBPRGKRZSA-N 0 1 303.337 3.331 20 5 DGBDMN C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]1C ZINC000774637186 623168795 /nfs/dbraw/zinc/16/87/95/623168795.db2.gz MVOLMZUNUFYBLS-NXEZZACHSA-N 0 1 308.769 3.286 20 5 DGBDMN C[C@@H]1C[C@H](C)N(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639263 623169430 /nfs/dbraw/zinc/16/94/30/623169430.db2.gz UYHFMAYOFRIYOJ-ZJUUUORDSA-N 0 1 308.769 3.286 20 5 DGBDMN C[C@H](c1ccccc1F)N(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273776 623404922 /nfs/dbraw/zinc/40/49/22/623404922.db2.gz AJIJSNIZSJVZFQ-SJKOYZFVSA-N 0 1 318.348 3.460 20 5 DGBDMN CCCN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777956436 623589996 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DGBDMN Cc1oc(C(=O)[O-])cc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001600830163 1192902432 /nfs/dbraw/zinc/90/24/32/1192902432.db2.gz KFSLGJGJVRQANB-UHFFFAOYSA-N 0 1 318.329 3.219 20 5 DGBDMN O=[N+]([O-])c1ccc(O)cc1CSCc1nccn1C(F)F ZINC001346128264 1179658816 /nfs/dbraw/zinc/65/88/16/1179658816.db2.gz QSNNUDXYIXCJLU-UHFFFAOYSA-N 0 1 315.301 3.325 20 5 DGBDMN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001352917095 1180421874 /nfs/dbraw/zinc/42/18/74/1180421874.db2.gz QQLVVVWOYKWUFX-BZUAXINKSA-N 0 1 304.390 3.288 20 5 DGBDMN O=C(OCc1ccc(C2CCCCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001435550723 1181824810 /nfs/dbraw/zinc/82/48/10/1181824810.db2.gz MLLAEMWMZOGHCH-HZPDHXFCSA-N 0 1 303.358 3.443 20 5 DGBDMN C[C@H](Nc1nn(C)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC001458517910 1182534436 /nfs/dbraw/zinc/53/44/36/1182534436.db2.gz SQVWIQNJAGGBIY-ZETCQYMHSA-N 0 1 320.740 3.031 20 5 DGBDMN CC[C@H]1C[N@@H+](CC)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460139247 1182656285 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DGBDMN O=[N+]([O-])c1ccsc1N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001458717883 1182549695 /nfs/dbraw/zinc/54/96/95/1182549695.db2.gz IZWZKLCDEFWFSX-LBPRGKRZSA-N 0 1 323.805 3.461 20 5 DGBDMN C[C@@H](NCc1cn2ccnc2s1)c1ccccc1[N+](=O)[O-] ZINC001461727827 1182845996 /nfs/dbraw/zinc/84/59/96/1182845996.db2.gz GASVRWLNCJTSDO-SNVBAGLBSA-N 0 1 302.359 3.155 20 5 DGBDMN CCOC(OCC)[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001462685583 1182985207 /nfs/dbraw/zinc/98/52/07/1182985207.db2.gz IMOUPBKSJKKUOT-JTQLQIEISA-N 0 1 316.785 3.125 20 5 DGBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001470740458 1183509786 /nfs/dbraw/zinc/50/97/86/1183509786.db2.gz PSDCRAMTORWGOS-UHFFFAOYSA-N 0 1 324.340 3.136 20 5 DGBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2cncn2c1 ZINC001472134572 1183619522 /nfs/dbraw/zinc/61/95/22/1183619522.db2.gz YODSBYXPDJFVBR-UHFFFAOYSA-N 0 1 324.340 3.420 20 5 DGBDMN O=[N+]([O-])CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001473322740 1183743284 /nfs/dbraw/zinc/74/32/84/1183743284.db2.gz XLXPUIVGPAPEDV-INIZCTEOSA-N 0 1 304.777 3.490 20 5 DGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C)C(C)(C)C1 ZINC001473365346 1183749240 /nfs/dbraw/zinc/74/92/40/1183749240.db2.gz NDXVIMZBEAXSKC-STQMWFEESA-N 0 1 319.405 3.290 20 5 DGBDMN C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1CC[N+](=O)[O-] ZINC001473722880 1183793095 /nfs/dbraw/zinc/79/30/95/1183793095.db2.gz RFRWSCOQVUJBLZ-CYBMUJFWSA-N 0 1 302.296 3.293 20 5 DGBDMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001609776909 1193355413 /nfs/dbraw/zinc/35/54/13/1193355413.db2.gz BESWDXAAQFOIFD-JTQLQIEISA-N 0 1 318.304 3.283 20 5 DGBDMN COc1cc(NCCN2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC001611794445 1193441949 /nfs/dbraw/zinc/44/19/49/1193441949.db2.gz ZWRRQTNLFNCBQW-UHFFFAOYSA-N 0 1 313.785 3.155 20 5 DGBDMN Cc1cc(N2CC3(CN(Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC001612738267 1193460439 /nfs/dbraw/zinc/46/04/39/1193460439.db2.gz CHZWBKXNGDYMNP-UHFFFAOYSA-N 0 1 323.396 3.225 20 5 DGBDMN CCN1CC[C@@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001612809723 1193461489 /nfs/dbraw/zinc/46/14/89/1193461489.db2.gz CIEWVCAAFFNSGN-SECBINFHSA-N 0 1 303.284 3.120 20 5 DGBDMN O=C(Nc1c(F)ccnc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001527566123 1187436156 /nfs/dbraw/zinc/43/61/56/1187436156.db2.gz HMPURPLGWGIUKQ-UHFFFAOYSA-N 0 1 313.647 3.174 20 5 DGBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC1(C)C ZINC001529390094 1187554176 /nfs/dbraw/zinc/55/41/76/1187554176.db2.gz ILWQNHDRGOPTMJ-NWDGAFQWSA-N 0 1 316.361 3.026 20 5 DGBDMN C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001534208040 1187883209 /nfs/dbraw/zinc/88/32/09/1187883209.db2.gz WUDWIHBOTBTZFY-ZTFGCOKTSA-N 0 1 324.380 3.442 20 5 DGBDMN O=C(Nc1cccnc1-c1ccc(Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001538857864 1188166200 /nfs/dbraw/zinc/16/62/00/1188166200.db2.gz MTZJUGAALDGEPT-VXNVDRBHSA-N 0 1 323.761 3.067 20 5 DGBDMN O=[N+]([O-])CCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001559830721 1189247693 /nfs/dbraw/zinc/24/76/93/1189247693.db2.gz KZFGEOANEMMOEW-GFCCVEGCSA-N 0 1 302.296 3.162 20 5 DGBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](CF)c1ccc(F)cc1 ZINC001560086961 1189277347 /nfs/dbraw/zinc/27/73/47/1189277347.db2.gz QCXWUIUSBHMWAF-CQSZACIVSA-N 0 1 308.284 3.240 20 5 DGBDMN C[C@@H]1c2sccc2CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001560112359 1189279295 /nfs/dbraw/zinc/27/92/95/1189279295.db2.gz BGMJQFPAUMJQBX-SNVBAGLBSA-N 0 1 304.371 3.481 20 5 DGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC2(CC2)Oc2ccccc21 ZINC001560207432 1189290512 /nfs/dbraw/zinc/29/05/12/1189290512.db2.gz PGXIILTWHSRCBK-UHFFFAOYSA-N 0 1 312.325 3.232 20 5 DGBDMN C[C@H](NCc1cc(-c2ccccn2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001560275078 1189303123 /nfs/dbraw/zinc/30/31/23/1189303123.db2.gz XUDIYQXDCJNTIM-LBPRGKRZSA-N 0 1 323.356 3.231 20 5 DGBDMN Cc1c(CC(=O)Nc2ccc(F)c(F)c2O)cccc1[N+](=O)[O-] ZINC001570132883 1190802286 /nfs/dbraw/zinc/80/22/86/1190802286.db2.gz ZATIPOJPGORACB-UHFFFAOYSA-N 0 1 322.267 3.068 20 5 DGBDMN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001620571169 1193779922 /nfs/dbraw/zinc/77/99/22/1193779922.db2.gz MDAVIKKLUWAWTD-JTQLQIEISA-N 0 1 317.301 3.059 20 5 DGBDMN C[C@H](C(=O)Nc1ccc(F)c(F)c1O)c1cccc([N+](=O)[O-])c1 ZINC001629408538 1194232107 /nfs/dbraw/zinc/23/21/07/1194232107.db2.gz FKNMNFQZQZMDBQ-QMMMGPOBSA-N 0 1 322.267 3.321 20 5 DGBDMN CCc1ccc(C(=O)Nc2ccc3cncn3c2)cc1[N+](=O)[O-] ZINC001636202645 1194599682 /nfs/dbraw/zinc/59/96/82/1194599682.db2.gz JMTVECKPSMGWAR-UHFFFAOYSA-N 0 1 310.313 3.057 20 5 DGBDMN O=C(Nc1ccc2cncn2c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001639572061 1194771912 /nfs/dbraw/zinc/77/19/12/1194771912.db2.gz AHMPYHYIGRMQTM-UHFFFAOYSA-N 0 1 316.704 3.148 20 5 DGBDMN CCCN(Cc1cccnc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC001641817401 1194872893 /nfs/dbraw/zinc/87/28/93/1194872893.db2.gz UILYUTNDQZMFQJ-HUUCEWRRSA-N 0 1 321.421 3.405 20 5 DGBDMN CC[C@@H]1CC[C@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001643090745 1194969922 /nfs/dbraw/zinc/96/99/22/1194969922.db2.gz XZNJGKNHXDPETM-UONOGXRCSA-N 0 1 319.405 3.352 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1C[C@](C)(OC)C1(C)C ZINC001644690337 1195127091 /nfs/dbraw/zinc/12/70/91/1195127091.db2.gz BGCHBCBOHUTIQA-RDJZCZTQSA-N 0 1 322.405 3.239 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC001644690335 1195127409 /nfs/dbraw/zinc/12/74/09/1195127409.db2.gz BGCHBCBOHUTIQA-DOTOQJQBSA-N 0 1 322.405 3.239 20 5 DGBDMN Cc1cc([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC001648429889 1195299964 /nfs/dbraw/zinc/29/99/64/1195299964.db2.gz WWTOKBHVOKWXLO-INIZCTEOSA-N 0 1 318.352 3.493 20 5 DGBDMN COc1ccc(CCN(CC[N+](=O)[O-])Cc2ccccc2)cc1 ZINC001652437593 1195596979 /nfs/dbraw/zinc/59/69/79/1195596979.db2.gz LJFURUBVYXVHPB-UHFFFAOYSA-N 0 1 314.385 3.017 20 5 DGBDMN C[C@H]1CCCC[C@H]1CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001652628320 1195629243 /nfs/dbraw/zinc/62/92/43/1195629243.db2.gz NAOQYVOKFGBLHY-KBPBESRZSA-N 0 1 304.390 3.484 20 5 DGBDMN CC1(C)C[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001652651848 1195631842 /nfs/dbraw/zinc/63/18/42/1195631842.db2.gz RGFWFEUBJNLAQQ-QMMMGPOBSA-N 0 1 305.197 3.307 20 5 DGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCc2ccccc2CC1 ZINC001653625749 1195739432 /nfs/dbraw/zinc/73/94/32/1195739432.db2.gz FGZJIJKZWJGYNG-UHFFFAOYSA-N 0 1 312.369 3.291 20 5 DGBDMN O=[N+]([O-])c1cccnc1N1CCN(CCCC2CCCC2)CC1 ZINC001654650470 1195827286 /nfs/dbraw/zinc/82/72/86/1195827286.db2.gz RUJGPDVAPSXBII-UHFFFAOYSA-N 0 1 318.421 3.082 20 5 DGBDMN Cc1cccn2c(CN[C@@H](C)c3ccccc3[N+](=O)[O-])cnc12 ZINC001658537017 1196270651 /nfs/dbraw/zinc/27/06/51/1196270651.db2.gz DYVZGKNFUCBUPN-ZDUSSCGKSA-N 0 1 310.357 3.402 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC001659889650 1196426258 /nfs/dbraw/zinc/42/62/58/1196426258.db2.gz QYGLQUDTZBWLFH-BPUTZDHNSA-N 0 1 324.808 3.374 20 5 DGBDMN CCC[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001660495162 1196491133 /nfs/dbraw/zinc/49/11/33/1196491133.db2.gz SNHVRWFGCGHJPA-CYBMUJFWSA-N 0 1 305.378 3.106 20 5 DGBDMN CCc1ccccc1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001664483352 1197005406 /nfs/dbraw/zinc/00/54/06/1197005406.db2.gz IPWILZQMPRSKOA-UHFFFAOYSA-N 0 1 310.357 3.323 20 5 DGBDMN Cc1cc([N+](=O)[O-])c(N2CCN(C3CCCC3)CC2)nc1Cl ZINC001165027895 721854770 /nfs/dbraw/zinc/85/47/70/721854770.db2.gz ASKNAXXWIDIHJY-UHFFFAOYSA-N 0 1 324.812 3.016 20 5 DGBDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC001594788106 981832040 /nfs/dbraw/zinc/83/20/40/981832040.db2.gz RPSBMVAINMDCLF-MRXNPFEDSA-N 0 1 324.352 3.199 20 5 DGBDMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC12CCC2 ZINC001594423190 999578499 /nfs/dbraw/zinc/57/84/99/999578499.db2.gz OARXBLNRBNFVIJ-GFCCVEGCSA-N 0 1 318.373 3.305 20 5 DGBDMN O=[N+]([O-])c1cc(Nc2cccc(Cn3cccn3)c2)ccc1O ZINC001210400761 1081958520 /nfs/dbraw/zinc/95/85/20/1081958520.db2.gz LNJRPJCNTXQYMC-UHFFFAOYSA-N 0 1 310.313 3.289 20 5 DGBDMN Cc1cc(NC(=O)C(C)(C)N2CCCCC2)cc([N+](=O)[O-])c1 ZINC001181022543 1083387105 /nfs/dbraw/zinc/38/71/05/1083387105.db2.gz XQDAYDNPXGFKDB-UHFFFAOYSA-N 0 1 305.378 3.106 20 5 DGBDMN Cc1ccc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001184710460 1084245038 /nfs/dbraw/zinc/24/50/38/1084245038.db2.gz HHRNYQYPDAAYIA-OKILXGFUSA-N 0 1 321.421 3.203 20 5 DGBDMN CC(CC(=O)OC(C)C)=Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001156514459 1089558456 /nfs/dbraw/zinc/55/84/56/1089558456.db2.gz UBGXDJXMXVEADY-FLIBITNWSA-N 0 1 315.329 3.410 20 5 DGBDMN CCCN(C(=O)[C@@H]1CCCN1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001128450170 1090965510 /nfs/dbraw/zinc/96/55/10/1090965510.db2.gz GGCYVBQDOBPCBI-INIZCTEOSA-N 0 1 319.405 3.211 20 5 DGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1c(Cl)cncc1[N+](=O)[O-] ZINC001118530774 1091395946 /nfs/dbraw/zinc/39/59/46/1091395946.db2.gz UMCUWIMUHLNABW-UHFFFAOYSA-N 0 1 323.784 3.300 20 5 DGBDMN C[C@H]1C(=O)NCCN1Cc1c2ccccc2cc2ccccc21 ZINC001141728602 1092323763 /nfs/dbraw/zinc/32/37/63/1092323763.db2.gz ZFBZOCRTXPIZEM-AWEZNQCLSA-N 0 1 304.393 3.313 20 5 DGBDMN O=[N+]([O-])c1cc(Nc2ccc3c(c2)OCCCO3)ccc1O ZINC001210394610 1093151816 /nfs/dbraw/zinc/15/18/16/1093151816.db2.gz COPHNIDJFWPMSR-UHFFFAOYSA-N 0 1 302.286 3.205 20 5 DGBDMN COC(=O)c1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC001210394623 1093151969 /nfs/dbraw/zinc/15/19/69/1093151969.db2.gz DBCAHJRIIRZYSU-UHFFFAOYSA-N 0 1 322.704 3.484 20 5 DGBDMN Nc1cc(Br)cc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210397798 1093153656 /nfs/dbraw/zinc/15/36/56/1093153656.db2.gz IFUYVTQJLWSXRY-UHFFFAOYSA-N 0 1 324.134 3.389 20 5 DGBDMN COC(=O)c1ccc(F)c(F)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210401621 1093156225 /nfs/dbraw/zinc/15/62/25/1093156225.db2.gz VNSHRTKRYUIZML-UHFFFAOYSA-N 0 1 324.239 3.109 20 5 DGBDMN Cc1c(Nc2cccc(F)c2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211295527 1093448062 /nfs/dbraw/zinc/44/80/62/1093448062.db2.gz NCVRYTWDQQQWEQ-UHFFFAOYSA-N 0 1 307.237 3.400 20 5 DGBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3ncccc3C3CC3)no2)c1 ZINC001216925572 1094280188 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Cc1nn(CN2CCSCC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000790475878 625658089 /nfs/dbraw/zinc/65/80/89/625658089.db2.gz CGCCLWMXBCNZHF-LLVKDONJSA-N 0 1 320.418 3.038 20 5 DGBDMN C[C@H]1C[C@H](CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000778994775 623717923 /nfs/dbraw/zinc/71/79/23/623717923.db2.gz KTYOUQUNNOXBDT-NWDGAFQWSA-N 0 1 312.797 3.495 20 5 DGBDMN Cc1nn(CN2CCC[C@H]2Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000779860903 623823029 /nfs/dbraw/zinc/82/30/29/623823029.db2.gz KOTPDGJZISUVOP-INIZCTEOSA-N 0 1 314.389 3.073 20 5 DGBDMN CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000877928331 624096546 /nfs/dbraw/zinc/09/65/46/624096546.db2.gz RWJRASWOYYRZOS-GFCCVEGCSA-N 0 1 316.361 3.267 20 5 DGBDMN CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000877928331 624096552 /nfs/dbraw/zinc/09/65/52/624096552.db2.gz RWJRASWOYYRZOS-GFCCVEGCSA-N 0 1 316.361 3.267 20 5 DGBDMN C[C@H]1CCC[C@H](C)N1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878088348 624162905 /nfs/dbraw/zinc/16/29/05/624162905.db2.gz MTQOBHDEGXEEPA-RYUDHWBXSA-N 0 1 316.361 3.408 20 5 DGBDMN C[C@H](O)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790934578 625717105 /nfs/dbraw/zinc/71/71/05/625717105.db2.gz NBFSWPLNJYQZBP-WCQYABFASA-N 0 1 312.797 3.374 20 5 DGBDMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC000786345265 624858977 /nfs/dbraw/zinc/85/89/77/624858977.db2.gz VQXLCVJGKYIYOL-UHFFFAOYSA-N 0 1 317.345 3.415 20 5 DGBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](CF)C3)co2)cc1 ZINC000880297552 624900052 /nfs/dbraw/zinc/90/00/52/624900052.db2.gz PMEDBYJQJJPWBQ-NSHDSACASA-N 0 1 305.309 3.041 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3nccs3)C2)c(F)c1 ZINC000880316814 624914443 /nfs/dbraw/zinc/91/44/43/624914443.db2.gz HQCZNWSDXSSOCN-NSHDSACASA-N 0 1 307.350 3.180 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3nccs3)C2)c(F)c1 ZINC000880316813 624914659 /nfs/dbraw/zinc/91/46/59/624914659.db2.gz HQCZNWSDXSSOCN-LLVKDONJSA-N 0 1 307.350 3.180 20 5 DGBDMN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000880459611 624960824 /nfs/dbraw/zinc/96/08/24/624960824.db2.gz IDIMRSXBKFPBIN-QGZVFWFLSA-N 0 1 300.358 3.150 20 5 DGBDMN C[C@@H](C[C@@H](O)c1ccco1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000130585786 625877175 /nfs/dbraw/zinc/87/71/75/625877175.db2.gz JTARUJWQKVRSCO-IINYFYTJSA-N 0 1 324.764 3.443 20 5 DGBDMN CN(C)C1(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000803613379 626624854 /nfs/dbraw/zinc/62/48/54/626624854.db2.gz AJJJMXZKOVSQAI-UHFFFAOYSA-N 0 1 319.405 3.315 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000803701240 626628482 /nfs/dbraw/zinc/62/84/82/626628482.db2.gz FFYCTQTXSMIMSR-IUODEOHRSA-N 0 1 308.378 3.094 20 5 DGBDMN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCC3)O2)c(Cl)c1 ZINC000883363809 626662036 /nfs/dbraw/zinc/66/20/36/626662036.db2.gz OLSPUMPTTCFLAE-CYBMUJFWSA-N 0 1 310.781 3.440 20 5 DGBDMN Cc1c(OC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000810534713 627012825 /nfs/dbraw/zinc/01/28/25/627012825.db2.gz BHZKNFVMGAVHIA-MRXNPFEDSA-N 0 1 324.352 3.021 20 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CCc1nc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])co1 ZINC000825056214 628722255 /nfs/dbraw/zinc/72/22/55/628722255.db2.gz DVEROGTUKOSWNS-LBPRGKRZSA-N 0 1 303.362 3.256 20 5 DGBDMN CC1(C)C[C@H](O)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825090696 628726377 /nfs/dbraw/zinc/72/63/77/628726377.db2.gz DUEYHTHGSYVTJS-GFCCVEGCSA-N 0 1 312.797 3.231 20 5 DGBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256373 628742926 /nfs/dbraw/zinc/74/29/26/628742926.db2.gz WZTQSYQOLZDDBG-XQQFMLRXSA-N 0 1 321.377 3.024 20 5 DGBDMN Cc1cc(NCc2n[nH]c(C3CC3)n2)c(Cl)cc1[N+](=O)[O-] ZINC000828515916 629062094 /nfs/dbraw/zinc/06/20/94/629062094.db2.gz PNXQVWRIELIFON-UHFFFAOYSA-N 0 1 307.741 3.164 20 5 DGBDMN O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000828889055 629105595 /nfs/dbraw/zinc/10/55/95/629105595.db2.gz QKFIBUANXADWQK-SWLSCSKDSA-N 0 1 308.353 3.125 20 5 DGBDMN O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000828889052 629105920 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C[C@@H](C(=O)OCc1cc(C2CC2)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000848011885 631595986 /nfs/dbraw/zinc/59/59/86/631595986.db2.gz VBRRYIFGHNXHOJ-SNVBAGLBSA-N 0 1 315.329 3.042 20 5 DGBDMN C[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)[C@H]1C ZINC000848479787 631668972 /nfs/dbraw/zinc/66/89/72/631668972.db2.gz BQGIXXYLSOKSLN-OLZOCXBDSA-N 0 1 300.362 3.146 20 5 DGBDMN Cc1ccc([C@H](C)NCc2cnc(Cl)n2C)cc1[N+](=O)[O-] ZINC000848540875 631685110 /nfs/dbraw/zinc/68/51/10/631685110.db2.gz SGYQBPGHKUWNRU-JTQLQIEISA-N 0 1 308.769 3.141 20 5 DGBDMN COc1c(C)cccc1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848560136 631692852 /nfs/dbraw/zinc/69/28/52/631692852.db2.gz KFONPJPJXVHWEJ-GFCCVEGCSA-N 0 1 315.373 3.345 20 5 DGBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000849328099 631892624 /nfs/dbraw/zinc/89/26/24/631892624.db2.gz ZRFHJOCVCVDRAN-IAGOWNOFSA-N 0 1 316.332 3.214 20 5 DGBDMN CC(C)(CC(F)(F)F)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000849911931 632003099 /nfs/dbraw/zinc/00/30/99/632003099.db2.gz POUOCBBPMLPGBY-UHFFFAOYSA-N 0 1 321.251 3.322 20 5 DGBDMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850527464 632181422 /nfs/dbraw/zinc/18/14/22/632181422.db2.gz XPSCITKBVZLSFJ-QXKQMHMISA-N 0 1 313.357 3.006 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(CCCC2)C1 ZINC000173820086 659402650 /nfs/dbraw/zinc/40/26/50/659402650.db2.gz JQMPNJKXAPWJNP-UHFFFAOYSA-N 0 1 317.389 3.108 20 5 DGBDMN CCCCN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H](C)CC ZINC000794621057 661094641 /nfs/dbraw/zinc/09/46/41/661094641.db2.gz ROZAZZLDLFCWGN-GFCCVEGCSA-N 0 1 321.377 3.361 20 5 DGBDMN CC1=C(C)CN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000794890427 661111616 /nfs/dbraw/zinc/11/16/16/661111616.db2.gz SSLPDLNRFHGBGN-UHFFFAOYSA-N 0 1 312.373 3.458 20 5 DGBDMN O=[N+]([O-])c1cnn(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000795686691 661168012 /nfs/dbraw/zinc/16/80/12/661168012.db2.gz HXXFMOFEQSQCAF-BBWFWOEESA-N 0 1 312.373 3.017 20 5 DGBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccsc2)ccc1Cl ZINC000090867246 655705662 /nfs/dbraw/zinc/70/56/62/655705662.db2.gz BLHJDWJFFOZCHJ-UHFFFAOYSA-N 0 1 318.763 3.111 20 5 DGBDMN O=[N+]([O-])c1cccc2c1CCN(CC[C@@H](O)c1ccccc1)C2 ZINC000795972595 661182609 /nfs/dbraw/zinc/18/26/09/661182609.db2.gz QAWBYBJOEKRVIY-GOSISDBHSA-N 0 1 312.369 3.077 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](Cc3nccs3)C2)cc1F ZINC000934334531 655768572 /nfs/dbraw/zinc/76/85/72/655768572.db2.gz WOOSGGKSNWBNPB-LBPRGKRZSA-N 0 1 321.377 3.255 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](Cc3nccs3)C2)cc1F ZINC000934334528 655768607 /nfs/dbraw/zinc/76/86/07/655768607.db2.gz WOOSGGKSNWBNPB-GFCCVEGCSA-N 0 1 321.377 3.255 20 5 DGBDMN Cc1cc(F)cc(C(=O)Nc2nnc(C(C)C)s2)c1[N+](=O)[O-] ZINC000176728907 655789332 /nfs/dbraw/zinc/78/93/32/655789332.db2.gz CVLKKMDVWQCRKQ-UHFFFAOYSA-N 0 1 324.337 3.270 20 5 DGBDMN Cc1nn(CN2CC[C@@H](c3ccccc3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000175265003 659918226 /nfs/dbraw/zinc/91/82/26/659918226.db2.gz AWZMGEZSJOTCDN-XJKSGUPXSA-N 0 1 314.389 3.244 20 5 DGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](Cc2nccs2)C1 ZINC000934335730 661698653 /nfs/dbraw/zinc/69/86/53/661698653.db2.gz UTBNBIAKTLZSIT-NSHDSACASA-N 0 1 321.377 3.255 20 5 DGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](Cc2nccs2)C1 ZINC000934335729 661698734 /nfs/dbraw/zinc/69/87/34/661698734.db2.gz UTBNBIAKTLZSIT-LLVKDONJSA-N 0 1 321.377 3.255 20 5 DGBDMN COc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000934686114 661725768 /nfs/dbraw/zinc/72/57/68/661725768.db2.gz IWLFSTXYASXQTO-QGZVFWFLSA-N 0 1 313.357 3.239 20 5 DGBDMN O=[N+]([O-])c1ccc(CN[C@H](c2ccncc2)C2CC2)cc1F ZINC000934698058 661727534 /nfs/dbraw/zinc/72/75/34/661727534.db2.gz LUCMZDPLJDVYDX-INIZCTEOSA-N 0 1 301.321 3.370 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837870 661739494 /nfs/dbraw/zinc/73/94/94/661739494.db2.gz XGPYGSHOVRNEFM-UONOGXRCSA-N 0 1 322.380 3.373 20 5 DGBDMN O=[N+]([O-])c1ccc(SCCCCCCc2cn[nH]n2)nc1 ZINC001578048886 1191921247 /nfs/dbraw/zinc/92/12/47/1191921247.db2.gz RNKDWEPTKXCHAH-UHFFFAOYSA-N 0 1 307.379 3.003 20 5 DGBDMN C[C@@H](NCC[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC001333482683 1178612753 /nfs/dbraw/zinc/61/27/53/1178612753.db2.gz IRWREJADSMQINR-CQSZACIVSA-N 0 1 300.358 3.193 20 5 DGBDMN C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])co1)c1cccc([N+](=O)[O-])c1 ZINC001604322193 1193064416 /nfs/dbraw/zinc/06/44/16/1193064416.db2.gz JFYMBOFAQNRAPS-ZJUUUORDSA-N 0 1 304.302 3.298 20 5 DGBDMN O=C(N[C@@H](CC1CCCCC1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001357592377 1181411583 /nfs/dbraw/zinc/41/15/83/1181411583.db2.gz QCVDPEREVWDEHX-IXDOHACOSA-N 0 1 316.401 3.480 20 5 DGBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC001545699842 1181754725 /nfs/dbraw/zinc/75/47/25/1181754725.db2.gz FINGUFCFUPGCIZ-OCZPHVOWSA-N 0 1 314.385 3.136 20 5 DGBDMN O=C(Nc1cccc(F)c1O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001454752116 1182353130 /nfs/dbraw/zinc/35/31/30/1182353130.db2.gz CCVQHTHNAVFFIU-UHFFFAOYSA-N 0 1 315.260 3.173 20 5 DGBDMN O=C(Nc1ccc2cncn2c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001456449295 1182416390 /nfs/dbraw/zinc/41/63/90/1182416390.db2.gz SUVZITWXFKXWDH-UHFFFAOYSA-N 0 1 316.704 3.148 20 5 DGBDMN Cc1ccc(NC(=O)c2cc(Cl)ccc2O)c(N)c1[N+](=O)[O-] ZINC001456745316 1182428921 /nfs/dbraw/zinc/42/89/21/1182428921.db2.gz RLJJQNDEURUJTJ-UHFFFAOYSA-N 0 1 321.720 3.097 20 5 DGBDMN O=C(O[C@H]1CCC[C@H]1Cc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001459301200 1182578843 /nfs/dbraw/zinc/57/88/43/1182578843.db2.gz OOLZNNIEEDHSCK-MYPMTAMASA-N 0 1 323.776 3.260 20 5 DGBDMN O=C(O[C@@H]1CCC[C@@H]1Cc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001459301204 1182579070 /nfs/dbraw/zinc/57/90/70/1182579070.db2.gz OOLZNNIEEDHSCK-NMFUWQPSSA-N 0 1 323.776 3.260 20 5 DGBDMN CC(C)[C@H](c1ccccc1)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001461624501 1182834460 /nfs/dbraw/zinc/83/44/60/1182834460.db2.gz BASFNZBFDAVBPJ-BZUAXINKSA-N 0 1 304.390 3.286 20 5 DGBDMN CCC1(C)CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001461983075 1182889534 /nfs/dbraw/zinc/88/95/34/1182889534.db2.gz ODNBSJVDKNTXEG-UHFFFAOYSA-N 0 1 308.378 3.321 20 5 DGBDMN C[N@H+](CC(=O)[O-])Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001606088131 1193189100 /nfs/dbraw/zinc/18/91/00/1193189100.db2.gz DTPCWTJPBVXQEX-UHFFFAOYSA-N 0 1 324.720 3.025 20 5 DGBDMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001606088131 1193189104 /nfs/dbraw/zinc/18/91/04/1193189104.db2.gz DTPCWTJPBVXQEX-UHFFFAOYSA-N 0 1 324.720 3.025 20 5 DGBDMN C[C@H](Nc1nc(Cl)nc2[nH]cnc21)c1ccccc1[N+](=O)[O-] ZINC001472869754 1183693034 /nfs/dbraw/zinc/69/30/34/1183693034.db2.gz PTFPCOVRHHBJNW-ZETCQYMHSA-N 0 1 318.724 3.088 20 5 DGBDMN CO[C@@]1(C)C[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001653448877 1195722906 /nfs/dbraw/zinc/72/29/06/1195722906.db2.gz FZOGXZJKECLUTO-HOCLYGCPSA-N 0 1 310.369 3.369 20 5 DGBDMN O=[N+]([O-])c1cccc(CN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC001473228779 1183733216 /nfs/dbraw/zinc/73/32/16/1183733216.db2.gz VRZCQEKINPLWQZ-SFHVURJKSA-N 0 1 322.368 3.322 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CNC1(CO)CCCCCCC1 ZINC001473730894 1183794435 /nfs/dbraw/zinc/79/44/35/1183794435.db2.gz FABYNSFVUQXXPP-UHFFFAOYSA-N 0 1 310.369 3.299 20 5 DGBDMN Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC001607650132 1193245255 /nfs/dbraw/zinc/24/52/55/1193245255.db2.gz XPIXGGPSULCJKH-JTQLQIEISA-N 0 1 304.302 3.045 20 5 DGBDMN Cc1ccc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC001607777222 1193256025 /nfs/dbraw/zinc/25/60/25/1193256025.db2.gz ITRGJPRDLZHOLI-UHFFFAOYSA-N 0 1 306.362 3.123 20 5 DGBDMN Cc1oc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001608048460 1193275553 /nfs/dbraw/zinc/27/55/53/1193275553.db2.gz MBFXDDBXGCKLPU-UHFFFAOYSA-N 0 1 318.329 3.219 20 5 DGBDMN C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1(C(=O)[O-])CCCCC1 ZINC001610114292 1193376978 /nfs/dbraw/zinc/37/69/78/1193376978.db2.gz AYYCTTKJJVQUDJ-CLFYSBASSA-N 0 1 318.373 3.327 20 5 DGBDMN Cc1cc(Nc2nn(C)cc2[N+](=O)[O-])nn1C1CCCCC1 ZINC001612448922 1193452429 /nfs/dbraw/zinc/45/24/29/1193452429.db2.gz ZUINMCMUKURDMS-UHFFFAOYSA-N 0 1 304.354 3.082 20 5 DGBDMN O=C(NCC1CCCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001526119841 1187353844 /nfs/dbraw/zinc/35/38/44/1187353844.db2.gz XKWWMAYXSSETHB-UHFFFAOYSA-N 0 1 316.361 3.171 20 5 DGBDMN CC[C@@H]1CCC[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001533707870 1187844704 /nfs/dbraw/zinc/84/47/04/1187844704.db2.gz VWMDDJMKWZBIFV-MNOVXSKESA-N 0 1 316.361 3.027 20 5 DGBDMN Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001544561357 1188399555 /nfs/dbraw/zinc/39/95/55/1188399555.db2.gz RLYYRVNFMQYJIO-FVQBIDKESA-N 0 1 304.390 3.206 20 5 DGBDMN Cc1cc(N2CCN(C)[C@H](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001559266597 1189189800 /nfs/dbraw/zinc/18/98/00/1189189800.db2.gz HGQFCYDQQWAAIG-HNNXBMFYSA-N 0 1 309.385 3.209 20 5 DGBDMN O=[N+]([O-])c1ccc(CCNCc2nc3cc(F)ccc3o2)cc1 ZINC001560319854 1189311267 /nfs/dbraw/zinc/31/12/67/1189311267.db2.gz BCYFFPWACLXGJT-UHFFFAOYSA-N 0 1 315.304 3.207 20 5 DGBDMN CC[C@@H](NCc1cnn(C)c1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001560400238 1189324009 /nfs/dbraw/zinc/32/40/09/1189324009.db2.gz CEGLGMIAXGQOHW-MRXNPFEDSA-N 0 1 314.389 3.447 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC/C=C\CO)o1 ZINC001560528181 1189337024 /nfs/dbraw/zinc/33/70/24/1189337024.db2.gz KRNSPEVFNCKSMA-UPHRSURJSA-N 0 1 322.748 3.146 20 5 DGBDMN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001569908392 1190772436 /nfs/dbraw/zinc/77/24/36/1190772436.db2.gz NPCDSJSAESZHPI-VXGBXAGGSA-N 0 1 322.361 3.130 20 5 DGBDMN CC(=O)c1ccc(N(C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC001620534976 1193777067 /nfs/dbraw/zinc/77/70/67/1193777067.db2.gz ZNZIKEWKXNNTBL-UHFFFAOYSA-N 0 1 300.314 3.139 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001620669712 1193789806 /nfs/dbraw/zinc/78/98/06/1193789806.db2.gz YECGLULGISIUOH-WBVHZDCISA-N 0 1 320.389 3.137 20 5 DGBDMN C[C@@H](Nc1nc(Cl)nc2[nH]cnc21)c1ccc([N+](=O)[O-])cc1 ZINC001640389613 1194810789 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DGBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1C1CCCC1 ZINC001655856864 1195969369 /nfs/dbraw/zinc/96/93/69/1195969369.db2.gz XKBNVFNKFCDQCP-NSHDSACASA-N 0 1 324.812 3.096 20 5 DGBDMN O=[N+]([O-])c1cccc(CNCc2ccnc(C(F)(F)F)c2)c1 ZINC001656277724 1196026689 /nfs/dbraw/zinc/02/66/89/1196026689.db2.gz WCAHSRCZVCKEBV-UHFFFAOYSA-N 0 1 311.263 3.298 20 5 DGBDMN Cc1c[nH]c(=O)c(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC001657082476 1196102502 /nfs/dbraw/zinc/10/25/02/1196102502.db2.gz YSYJNNSXGZZHPY-UHFFFAOYSA-N 0 1 315.373 3.417 20 5 DGBDMN COc1c(O)ccc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001659193719 1196357619 /nfs/dbraw/zinc/35/76/19/1196357619.db2.gz KRQZVCICRVTNIC-GFCCVEGCSA-N 0 1 308.378 3.177 20 5 DGBDMN COc1c(O)ccc(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001659193720 1196358083 /nfs/dbraw/zinc/35/80/83/1196358083.db2.gz KRQZVCICRVTNIC-LBPRGKRZSA-N 0 1 308.378 3.177 20 5 DGBDMN Cc1cccn2c(CN[C@@H](C)c3ccc([N+](=O)[O-])cc3)cnc12 ZINC001663264220 1196822936 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CCCCN(CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072949939 191255896 /nfs/dbraw/zinc/25/58/96/191255896.db2.gz APSVETCOYBPCQZ-UHFFFAOYSA-N 0 1 304.350 3.267 20 5 DGBDMN Cc1csc(C(C)(C)NCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000173427311 198213077 /nfs/dbraw/zinc/21/30/77/198213077.db2.gz UARISSDKNDQQQT-UHFFFAOYSA-N 0 1 321.402 3.263 20 5 DGBDMN CC[C@](C)(NCCOc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000173502177 198221581 /nfs/dbraw/zinc/22/15/81/198221581.db2.gz JZPZZFRQKZKNRE-HNNXBMFYSA-N 0 1 321.402 3.345 20 5 DGBDMN COc1cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)ccc1O ZINC000174538232 198348873 /nfs/dbraw/zinc/34/88/73/198348873.db2.gz JXQZMLNFCAZZHK-UHFFFAOYSA-N 0 1 316.357 3.249 20 5 DGBDMN COc1cc(CN(C)Cc2cccc([N+](=O)[O-])c2C)ccc1O ZINC000174538232 198348875 /nfs/dbraw/zinc/34/88/75/198348875.db2.gz JXQZMLNFCAZZHK-UHFFFAOYSA-N 0 1 316.357 3.249 20 5 DGBDMN CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000187332336 200096408 /nfs/dbraw/zinc/09/64/08/200096408.db2.gz 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DGBDMN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182182787 432163458 /nfs/dbraw/zinc/16/34/58/432163458.db2.gz OIOFAYZYUZDPFP-GJZGRUSLSA-N 0 1 312.797 3.374 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC000182244884 432169446 /nfs/dbraw/zinc/16/94/46/432169446.db2.gz RZGGCDHYACOTKB-IUODEOHRSA-N 0 1 310.781 3.249 20 5 DGBDMN CCc1[nH]nc(C(=O)N2CCCC(CC)(CC)CC2)c1[N+](=O)[O-] ZINC000190622766 432177184 /nfs/dbraw/zinc/17/71/84/432177184.db2.gz XLELVTAQZISVDQ-UHFFFAOYSA-N 0 1 322.409 3.313 20 5 DGBDMN CN(C)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000269660377 432194092 /nfs/dbraw/zinc/19/40/92/432194092.db2.gz TXFMLYPNSWASRP-LBPRGKRZSA-N 0 1 311.288 3.181 20 5 DGBDMN CN(Cc1ccc(F)c(F)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269687471 432197223 /nfs/dbraw/zinc/19/72/23/432197223.db2.gz TYPBNEBTLXALBS-INIZCTEOSA-N 0 1 322.311 3.038 20 5 DGBDMN Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000172181609 432202201 /nfs/dbraw/zinc/20/22/01/432202201.db2.gz CFXWRESHBYVFPK-UHFFFAOYSA-N 0 1 306.343 3.012 20 5 DGBDMN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000269705733 432200642 /nfs/dbraw/zinc/20/06/42/432200642.db2.gz NKEJBVBNCGTYKV-QLJPJBMISA-N 0 1 322.311 3.257 20 5 DGBDMN Cc1nn(C)c(C)c1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151153840 432225493 /nfs/dbraw/zinc/22/54/93/432225493.db2.gz ZZWMIOIIZUFYNH-LLVKDONJSA-N 0 1 302.378 3.104 20 5 DGBDMN CC[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000347347728 264202607 /nfs/dbraw/zinc/20/26/07/264202607.db2.gz NZZVLNSQIYEZFU-KRWDZBQOSA-N 0 1 314.385 3.368 20 5 DGBDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccncc1 ZINC000347374588 264209056 /nfs/dbraw/zinc/20/90/56/264209056.db2.gz WTKVHYPTAPCUSY-OAHLLOKOSA-N 0 1 301.346 3.239 20 5 DGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccsc1 ZINC000351396702 264699813 /nfs/dbraw/zinc/69/98/13/264699813.db2.gz LDDAFHNFHOMJIP-UHFFFAOYSA-N 0 1 312.372 3.074 20 5 DGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000355618778 266133140 /nfs/dbraw/zinc/13/31/40/266133140.db2.gz OWBMKCWKWOWFOP-UHFFFAOYSA-N 0 1 310.260 3.125 20 5 DGBDMN O=C(N[C@H](c1ccccc1)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356315887 266351865 /nfs/dbraw/zinc/35/18/65/266351865.db2.gz SELILIKFTZPGTP-MRXNPFEDSA-N 0 1 312.325 3.182 20 5 DGBDMN O=C(Nc1cccc(-n2cccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356366032 266369105 /nfs/dbraw/zinc/36/91/05/266369105.db2.gz RHTZUFYHDOBTAT-UHFFFAOYSA-N 0 1 323.308 3.343 20 5 DGBDMN Cc1ccc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356372963 266373100 /nfs/dbraw/zinc/37/31/00/266373100.db2.gz ZGHQDBBUAUXVMI-NSHDSACASA-N 0 1 300.314 3.100 20 5 DGBDMN C[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000172987106 432250932 /nfs/dbraw/zinc/25/09/32/432250932.db2.gz QZWUJVGIROXAEE-VXGBXAGGSA-N 0 1 316.361 3.265 20 5 DGBDMN COCCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000338910075 274024996 /nfs/dbraw/zinc/02/49/96/274024996.db2.gz AVWJHQGNHDPZAW-UHFFFAOYSA-N 0 1 318.295 3.224 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000272919910 278001385 /nfs/dbraw/zinc/00/13/85/278001385.db2.gz MOVRBAQPRCVWAG-TUAOUCFPSA-N 0 1 320.393 3.092 20 5 DGBDMN C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000068828931 431143636 /nfs/dbraw/zinc/14/36/36/431143636.db2.gz JOFGSGZPHBALDH-LBPRGKRZSA-N 0 1 316.361 3.267 20 5 DGBDMN COCC(C)(C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113334509 431341418 /nfs/dbraw/zinc/34/14/18/431341418.db2.gz GUHUYVPGBVVIFZ-UHFFFAOYSA-N 0 1 321.402 3.233 20 5 DGBDMN COc1ccc(CN2CCS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000076066832 431519380 /nfs/dbraw/zinc/51/93/80/431519380.db2.gz OMIUIZGLAFHJEX-OAHLLOKOSA-N 0 1 310.419 3.177 20 5 DGBDMN CC(C)C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000075833796 431499946 /nfs/dbraw/zinc/49/99/46/431499946.db2.gz PTTJFTSIDXOORJ-UHFFFAOYSA-N 0 1 320.389 3.329 20 5 DGBDMN C[C@H]1c2ccsc2CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332630935 280136280 /nfs/dbraw/zinc/13/62/80/280136280.db2.gz OTUZDTMXNBYFAL-JTQLQIEISA-N 0 1 304.371 3.481 20 5 DGBDMN Cc1c([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000192660113 280255852 /nfs/dbraw/zinc/25/58/52/280255852.db2.gz HOWBCJZWTXDVBA-APPDUMDISA-N 0 1 314.389 3.365 20 5 DGBDMN C[C@@H]1C[C@@H](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000077318821 431580434 /nfs/dbraw/zinc/58/04/34/431580434.db2.gz HIFCBHZJUGZYCA-NWDGAFQWSA-N 0 1 316.361 3.265 20 5 DGBDMN C[C@@H]1C[C@@H](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000119159932 431653205 /nfs/dbraw/zinc/65/32/05/431653205.db2.gz NXHXKYWKKFTWOZ-NWDGAFQWSA-N 0 1 316.361 3.265 20 5 DGBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000119405358 431689740 /nfs/dbraw/zinc/68/97/40/431689740.db2.gz CXBAJPPPKJUTFJ-IPQOISQHSA-N 0 1 318.398 3.183 20 5 DGBDMN Cc1ccc(-c2n[nH]cc2CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC000079694968 431739462 /nfs/dbraw/zinc/73/94/62/431739462.db2.gz FWWOSDRAVDALIL-UHFFFAOYSA-N 0 1 312.329 3.176 20 5 DGBDMN COc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000085788179 431841569 /nfs/dbraw/zinc/84/15/69/431841569.db2.gz PBPFUIHYUKRBBL-UHFFFAOYSA-N 0 1 315.373 3.409 20 5 DGBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC4(CCC4)C3)n2)c1 ZINC000123052094 431853663 /nfs/dbraw/zinc/85/36/63/431853663.db2.gz DOLHTBVHWWXZSJ-UHFFFAOYSA-N 0 1 314.345 3.021 20 5 DGBDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000123823069 431875304 /nfs/dbraw/zinc/87/53/04/431875304.db2.gz RCMANENCELSSPA-YPMHNXCESA-N 0 1 312.797 3.374 20 5 DGBDMN COC(=O)c1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000046517815 431898532 /nfs/dbraw/zinc/89/85/32/431898532.db2.gz JHSFBOVOZDJCNV-UHFFFAOYSA-N 0 1 314.341 3.013 20 5 DGBDMN O=[N+]([O-])c1ccccc1OCCN(Cc1cccnc1)C1CC1 ZINC000124701795 431901416 /nfs/dbraw/zinc/90/14/16/431901416.db2.gz SKJDUMNFPFZWKW-UHFFFAOYSA-N 0 1 313.357 3.033 20 5 DGBDMN CC[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000125730980 431934450 /nfs/dbraw/zinc/93/44/50/431934450.db2.gz IJGKRKSWKLOIMW-RYUDHWBXSA-N 0 1 316.361 3.438 20 5 DGBDMN CC[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000052644356 431957359 /nfs/dbraw/zinc/95/73/59/431957359.db2.gz WEJZSLORFSKXTB-LBPRGKRZSA-N 0 1 316.361 3.267 20 5 DGBDMN Cc1ccc([C@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000269052407 280982135 /nfs/dbraw/zinc/98/21/35/280982135.db2.gz IKUIHBBHCORULW-IGNZVWTISA-N 0 1 312.369 3.212 20 5 DGBDMN CN(C)[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000152028368 432298421 /nfs/dbraw/zinc/29/84/21/432298421.db2.gz FAUJPDZBNZMADI-AWEZNQCLSA-N 0 1 323.780 3.234 20 5 DGBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC[C@@H](C)C1 ZINC000248587109 432302652 /nfs/dbraw/zinc/30/26/52/432302652.db2.gz YAYILPBVFDFVRY-CHWSQXEVSA-N 0 1 305.378 3.044 20 5 DGBDMN Cc1ccc([C@H](C)N[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000102888249 431999651 /nfs/dbraw/zinc/99/96/51/431999651.db2.gz SIRQHNSIHXJLHX-XJKSGUPXSA-N 0 1 300.358 3.287 20 5 DGBDMN CC[C@@H](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000183645903 432313436 /nfs/dbraw/zinc/31/34/36/432313436.db2.gz XECYMYBKDWOIHL-ZJUUUORDSA-N 0 1 317.349 3.001 20 5 DGBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1ccccn1 ZINC000153008964 432375571 /nfs/dbraw/zinc/37/55/71/432375571.db2.gz CGDCKTWUDYUPRU-UHFFFAOYSA-N 0 1 315.373 3.063 20 5 DGBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCc1ccccn1 ZINC000153008964 432375577 /nfs/dbraw/zinc/37/55/77/432375577.db2.gz CGDCKTWUDYUPRU-UHFFFAOYSA-N 0 1 315.373 3.063 20 5 DGBDMN C[C@H]1C[C@@H](c2ccccc2F)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878269 432376924 /nfs/dbraw/zinc/37/69/24/432376924.db2.gz ATFGGHQBXOGDNK-LRDDRELGSA-N 0 1 318.352 3.014 20 5 DGBDMN CCc1nc([C@H](C)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000271425141 432392258 /nfs/dbraw/zinc/39/22/58/432392258.db2.gz CKKMSRZCAJOKOW-GWCFXTLKSA-N 0 1 303.366 3.077 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000271430968 432394101 /nfs/dbraw/zinc/39/41/01/432394101.db2.gz WJRRPQHKNPZECX-NSHDSACASA-N 0 1 320.393 3.094 20 5 DGBDMN O=[N+]([O-])c1cccc(CN(CCO[C@H]2CCCCO2)C2CC2)c1 ZINC000193068277 432446180 /nfs/dbraw/zinc/44/61/80/432446180.db2.gz VNODUYFMSDAGMV-KRWDZBQOSA-N 0 1 320.389 3.102 20 5 DGBDMN CC(C)c1nc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000271518791 432412725 /nfs/dbraw/zinc/41/27/25/432412725.db2.gz OAKXUBAYGYDJIU-MNOVXSKESA-N 0 1 303.366 3.248 20 5 DGBDMN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)s1 ZINC000176195407 432499692 /nfs/dbraw/zinc/49/96/92/432499692.db2.gz NWFLGTAJAYQLHF-UHFFFAOYSA-N 0 1 314.798 3.028 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000155476379 432557485 /nfs/dbraw/zinc/55/74/85/432557485.db2.gz QEXDYCXNUHICPV-DOMZBBRYSA-N 0 1 310.781 3.249 20 5 DGBDMN Cn1ccnc1[C@@H](NCC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272558475 432524739 /nfs/dbraw/zinc/52/47/39/432524739.db2.gz SUHIFQUGNNEHPZ-INIZCTEOSA-N 0 1 314.389 3.198 20 5 DGBDMN Cc1cc(N[C@@H]2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272890582 432537201 /nfs/dbraw/zinc/53/72/01/432537201.db2.gz XUPBDDDBPKZAAE-NWDGAFQWSA-N 0 1 301.346 3.431 20 5 DGBDMN Cc1cc(F)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000176670877 432541942 /nfs/dbraw/zinc/54/19/42/432541942.db2.gz WUQNAQXCYNEREN-UHFFFAOYSA-N 0 1 324.333 3.152 20 5 DGBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)C ZINC000263795938 432578501 /nfs/dbraw/zinc/57/85/01/432578501.db2.gz OZCVWRYXJUXUBM-UHFFFAOYSA-N 0 1 304.350 3.123 20 5 DGBDMN Cc1ccc([C@H](C)NC(=O)c2n[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000177848151 432668531 /nfs/dbraw/zinc/66/85/31/432668531.db2.gz UZGBQAYOFHODAA-NSHDSACASA-N 0 1 324.340 3.271 20 5 DGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000178098797 432695222 /nfs/dbraw/zinc/69/52/22/432695222.db2.gz OHGYMXCCIYNLHH-OLZOCXBDSA-N 0 1 319.405 3.001 20 5 DGBDMN COc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000237241227 432782149 /nfs/dbraw/zinc/78/21/49/432782149.db2.gz FFGOPSSLELGCEX-UHFFFAOYSA-N 0 1 316.357 3.210 20 5 DGBDMN CCC(C)(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680800 432765819 /nfs/dbraw/zinc/76/58/19/432765819.db2.gz UBHJKKOUBAWFAS-OLZOCXBDSA-N 0 1 321.421 3.247 20 5 DGBDMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178691918 432766342 /nfs/dbraw/zinc/76/63/42/432766342.db2.gz AHBOQDNGKDTEAZ-MELADBBJSA-N 0 1 321.421 3.247 20 5 DGBDMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178718911 432770129 /nfs/dbraw/zinc/77/01/29/432770129.db2.gz ZFXZAJOYFLYPQZ-RYUDHWBXSA-N 0 1 302.378 3.357 20 5 DGBDMN CC[C@@H]1CC[C@H](C)N1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330654993 432922915 /nfs/dbraw/zinc/92/29/15/432922915.db2.gz MHONSHHZTGGOTO-QWHCGFSZSA-N 0 1 305.378 3.105 20 5 DGBDMN CC[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000330663201 432923708 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304.346 3.261 20 5 DGBDMN Cc1cc(N2CCO[C@@H](C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000895759540 618828099 /nfs/dbraw/zinc/82/80/99/618828099.db2.gz IYUUYJBESAWTKQ-LBPRGKRZSA-N 0 1 301.346 3.067 20 5 DGBDMN C[C@H](CNCc1nnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] ZINC000897461706 619130310 /nfs/dbraw/zinc/13/03/10/619130310.db2.gz VTQVMFMYGVKNLZ-SNVBAGLBSA-N 0 1 318.402 3.217 20 5 DGBDMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000902033424 619582300 /nfs/dbraw/zinc/58/23/00/619582300.db2.gz DUAKEEHILSZTJO-CYBMUJFWSA-N 0 1 312.753 3.077 20 5 DGBDMN COc1cc(CNc2cccnc2C2CC2)cc([N+](=O)[O-])c1O ZINC000902289286 619612240 /nfs/dbraw/zinc/61/22/40/619612240.db2.gz RNMOQYHJUFHPRC-UHFFFAOYSA-N 0 1 315.329 3.194 20 5 DGBDMN COc1cc([C@@H](C)N[C@@H](C)c2cccnc2)cc([N+](=O)[O-])c1 ZINC000903058815 619707570 /nfs/dbraw/zinc/70/75/70/619707570.db2.gz UGDNIEVDACUCPE-NWDGAFQWSA-N 0 1 301.346 3.410 20 5 DGBDMN COc1cc([C@@H](C)N[C@@H](C)c2cn(C)nc2C)cc([N+](=O)[O-])c1 ZINC000903090778 619714651 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CC(C)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccn1 ZINC000761374413 622003846 /nfs/dbraw/zinc/00/38/46/622003846.db2.gz HAUCBCGIBZALMW-CYBMUJFWSA-N 0 1 303.318 3.262 20 5 DGBDMN CCc1nc(CN[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])co1 ZINC000866371419 622105036 /nfs/dbraw/zinc/10/50/36/622105036.db2.gz LRRZSTAXFBRAAG-SNVBAGLBSA-N 0 1 307.325 3.005 20 5 DGBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccnc(F)c1)CCC2 ZINC000866475413 622124257 /nfs/dbraw/zinc/12/42/57/622124257.db2.gz YKOMVVWEISJSLU-OAHLLOKOSA-N 0 1 301.321 3.296 20 5 DGBDMN Cc1ccc(CN[C@@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000866539264 622135039 /nfs/dbraw/zinc/13/50/39/622135039.db2.gz AKPZSKXUOFORID-NSHDSACASA-N 0 1 300.362 3.161 20 5 DGBDMN O=[N+]([O-])c1cc2c(cc1CN1CCCCCCC1)OCCO2 ZINC000768144437 622441784 /nfs/dbraw/zinc/44/17/84/622441784.db2.gz QWLOYUJVPUXXQY-UHFFFAOYSA-N 0 1 306.362 3.132 20 5 DGBDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123362861 622521448 /nfs/dbraw/zinc/52/14/48/622521448.db2.gz 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CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1cnn(C)c1 ZINC000347360118 264206257 /nfs/dbraw/zinc/20/62/57/264206257.db2.gz OIYNATHOKCYJSY-RIYZIHGNSA-N 0 1 314.389 3.254 20 5 DGBDMN C[C@@H](O)C[C@H]1CCCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352872798 265209233 /nfs/dbraw/zinc/20/92/33/265209233.db2.gz FPAFTFMLJAHTCP-CHWSQXEVSA-N 0 1 310.369 3.249 20 5 DGBDMN Cn1ccnc1[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000353046531 265279614 /nfs/dbraw/zinc/27/96/14/265279614.db2.gz KRHXWNDXGDVNIZ-MQDFFIGUSA-N 0 1 312.373 3.082 20 5 DGBDMN O=C(NC1(c2ccccc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355538898 266107156 /nfs/dbraw/zinc/10/71/56/266107156.db2.gz YYZRFUGLVNBUFR-UHFFFAOYSA-N 0 1 312.325 3.110 20 5 DGBDMN Cn1ccc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc21 ZINC000355631241 266137434 /nfs/dbraw/zinc/13/74/34/266137434.db2.gz DMOTXIOXNLAXRA-UHFFFAOYSA-N 0 1 311.297 3.044 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000270420682 432244581 /nfs/dbraw/zinc/24/45/81/432244581.db2.gz 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DGBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(C2(N)CCC2)no1 ZINC000261880766 432458782 /nfs/dbraw/zinc/45/87/82/432458782.db2.gz WHMNFZCQSWQAQQ-VIFPVBQESA-N 0 1 320.374 3.169 20 5 DGBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc(CO)cc2)C2CC2)c1 ZINC000272299361 432478000 /nfs/dbraw/zinc/47/80/00/432478000.db2.gz IMXNWHRIBNLPDG-UHFFFAOYSA-N 0 1 312.369 3.252 20 5 DGBDMN CC(C)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000263076479 432518482 /nfs/dbraw/zinc/51/84/82/432518482.db2.gz QTQHKRNXPNSJCP-GXTWGEPZSA-N 0 1 320.389 3.261 20 5 DGBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)C ZINC000263825865 432582309 /nfs/dbraw/zinc/58/23/09/432582309.db2.gz ZZMWDGBNOKDDOX-UHFFFAOYSA-N 0 1 313.785 3.165 20 5 DGBDMN CC(C)C[C@H]1OCCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000186361248 432586700 /nfs/dbraw/zinc/58/67/00/432586700.db2.gz ADJOLOIXZLHCOQ-GOEBONIOSA-N 0 1 310.369 3.417 20 5 DGBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccsc1)N(C)C ZINC000264445796 432646893 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CC[C@@H](C)c1nc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000873114009 623038741 /nfs/dbraw/zinc/03/87/41/623038741.db2.gz RQGXLSNUUHZGJQ-PWSUYJOCSA-N 0 1 317.393 3.386 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1C[C@@H](O)c2ccccc21 ZINC000873137288 623046501 /nfs/dbraw/zinc/04/65/01/623046501.db2.gz UIEKVCQYCCJZSE-SJLPKXTDSA-N 0 1 312.369 3.480 20 5 DGBDMN O=[N+]([O-])c1cc2cnn(CN3CCC[C@H]3C3CC3)c2c(Cl)c1 ZINC000774628525 623168052 /nfs/dbraw/zinc/16/80/52/623168052.db2.gz XAZSNVXPYKQIRS-AWEZNQCLSA-N 0 1 320.780 3.430 20 5 DGBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1csc(C2CC2)n1 ZINC000873591215 623191269 /nfs/dbraw/zinc/19/12/69/623191269.db2.gz ODGLIBQUSAFUOK-SSDOTTSWSA-N 0 1 307.331 3.175 20 5 DGBDMN C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000776578626 623442434 /nfs/dbraw/zinc/44/24/34/623442434.db2.gz HMNHXDWOFNGSAS-ACJLOTCBSA-N 0 1 312.369 3.248 20 5 DGBDMN CO[C@@H](CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000777009919 623485722 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ZINC000880316780 624914527 /nfs/dbraw/zinc/91/45/27/624914527.db2.gz LAPMGZDCTLBTAP-SNVBAGLBSA-N 0 1 307.350 3.180 20 5 DGBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](c2nccs2)C1 ZINC000880323917 624917915 /nfs/dbraw/zinc/91/79/15/624917915.db2.gz WXTLEHJCVNVXAH-NSHDSACASA-N 0 1 307.350 3.180 20 5 DGBDMN CN(CCOc1ccccc1F)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788471518 625187976 /nfs/dbraw/zinc/18/79/76/625187976.db2.gz WLTCMYMJCYNIGU-UHFFFAOYSA-N 0 1 322.311 3.384 20 5 DGBDMN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(Cl)Cl ZINC000796113163 626022866 /nfs/dbraw/zinc/02/28/66/626022866.db2.gz MMDFAVMWXKIQLF-NSHDSACASA-N 0 1 303.189 3.263 20 5 DGBDMN O=C(O[C@@H]1CCCc2ccc(F)cc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000797233045 626129838 /nfs/dbraw/zinc/12/98/38/626129838.db2.gz IXSZZMAXKYIEAM-CYBMUJFWSA-N 0 1 304.277 3.296 20 5 DGBDMN Cc1nn(CN2CC(C)=C[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797417145 626141322 /nfs/dbraw/zinc/14/13/22/626141322.db2.gz MTXGOUOUVLYFDU-LLVKDONJSA-N 0 1 300.362 3.108 20 5 DGBDMN CN(CCN(C)c1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801516583 626407074 /nfs/dbraw/zinc/40/70/74/626407074.db2.gz NUFSAMZGZPJLJP-UHFFFAOYSA-N 0 1 317.364 3.302 20 5 DGBDMN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)OCO2 ZINC000801527290 626407638 /nfs/dbraw/zinc/40/76/38/626407638.db2.gz JAWMSVMIGIJLGK-SNVBAGLBSA-N 0 1 318.304 3.313 20 5 DGBDMN Cc1nc([C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)n[nH]1 ZINC000839984911 626586175 /nfs/dbraw/zinc/58/61/75/626586175.db2.gz NEMUAANBFVFGKN-LURJTMIESA-N 0 1 321.387 3.484 20 5 DGBDMN CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000883464036 626687026 /nfs/dbraw/zinc/68/70/26/626687026.db2.gz CWLXNPNCZMGANU-MRXNPFEDSA-N 0 1 313.357 3.335 20 5 DGBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1scnc1Cl ZINC000800146405 626813473 /nfs/dbraw/zinc/81/34/73/626813473.db2.gz SZLFMHJDBBZXJA-UHFFFAOYSA-N 0 1 315.713 3.405 20 5 DGBDMN O=[N+]([O-])c1ncccc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000886002189 627080669 /nfs/dbraw/zinc/08/06/69/627080669.db2.gz SOJVNTOCHKDJAD-GFCCVEGCSA-N 0 1 301.321 3.118 20 5 DGBDMN COc1ccccc1C[C@@H](C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886024068 627086922 /nfs/dbraw/zinc/08/69/22/627086922.db2.gz YGCYHHPCANTOSX-CYBMUJFWSA-N 0 1 315.373 3.061 20 5 DGBDMN COc1ccc([C@H](NCc2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000886104500 627105907 /nfs/dbraw/zinc/10/59/07/627105907.db2.gz DJSVCXKCNTYERM-MRXNPFEDSA-N 0 1 315.373 3.485 20 5 DGBDMN O=[N+]([O-])c1ccc(CNC[C@H]2CC3(CCC3)CO2)c(Cl)c1 ZINC000886288811 627131776 /nfs/dbraw/zinc/13/17/76/627131776.db2.gz HXHHMXVUCPQBKN-CYBMUJFWSA-N 0 1 310.781 3.297 20 5 DGBDMN Cc1ccccc1[C@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000886431858 627148267 /nfs/dbraw/zinc/14/82/67/627148267.db2.gz ITOSKJKWCDHJFU-KRWDZBQOSA-N 0 1 300.358 3.069 20 5 DGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886560100 627163600 /nfs/dbraw/zinc/16/36/00/627163600.db2.gz NIWSWAQRHHGHSS-OKILXGFUSA-N 0 1 322.430 3.177 20 5 DGBDMN Cc1nc(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)[nH]c1C ZINC000886667861 627184809 /nfs/dbraw/zinc/18/48/09/627184809.db2.gz JVYHPOFVURAWHD-UHFFFAOYSA-N 0 1 320.418 3.376 20 5 DGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2ncccn2)C1 ZINC000886680693 627188317 /nfs/dbraw/zinc/18/83/17/627188317.db2.gz JYMDJRZEVZEBDN-UONOGXRCSA-N 0 1 312.373 3.325 20 5 DGBDMN CC(C)C[C@@H](O)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811475969 627279227 /nfs/dbraw/zinc/27/92/27/627279227.db2.gz DTTNWUSWWPKNKV-LLVKDONJSA-N 0 1 321.204 3.398 20 5 DGBDMN CC(C)O[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000813908086 627520002 /nfs/dbraw/zinc/52/00/02/627520002.db2.gz WOQIXTQVTTYWQQ-CQSZACIVSA-N 0 1 318.329 3.246 20 5 DGBDMN Cc1nn(CN2CCC[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000814224537 627552505 /nfs/dbraw/zinc/55/25/05/627552505.db2.gz IZOJGBQDHPNXCQ-INIZCTEOSA-N 0 1 314.389 3.245 20 5 DGBDMN Cc1c(-c2noc([C@H]3CCCN3C(C)C)n2)cccc1[N+](=O)[O-] ZINC000924093573 627601540 /nfs/dbraw/zinc/60/15/40/627601540.db2.gz TZMCLMGLELKCSH-CQSZACIVSA-N 0 1 316.361 3.499 20 5 DGBDMN Cc1ccc2nc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000817018245 627846803 /nfs/dbraw/zinc/84/68/03/627846803.db2.gz VSRBENWXTKIFRQ-UITAMQMPSA-N 0 1 322.324 3.431 20 5 DGBDMN C[C@H](c1ccccc1)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000823826401 628599999 /nfs/dbraw/zinc/59/99/99/628599999.db2.gz JDOUHVUXTJFXPR-DAXOMENPSA-N 0 1 302.374 3.184 20 5 DGBDMN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2F)CC1(Cl)Cl ZINC000824773489 628691923 /nfs/dbraw/zinc/69/19/23/628691923.db2.gz LQHYLWWLTIODAV-LLVKDONJSA-N 0 1 307.152 3.407 20 5 DGBDMN CCCCC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830155837 629231798 /nfs/dbraw/zinc/23/17/98/629231798.db2.gz MFZODGSURLRHHX-KGLIPLIRSA-N 0 1 321.421 3.330 20 5 DGBDMN CO[C@@H]1C[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000832204877 629450266 /nfs/dbraw/zinc/45/02/66/629450266.db2.gz UHYVIGOTMGSCDY-HUUCEWRRSA-N 0 1 308.353 3.123 20 5 DGBDMN CC(C)c1ccc(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000833516773 629615607 /nfs/dbraw/zinc/61/56/07/629615607.db2.gz WLQBUDNNUPWDGH-LBPRGKRZSA-N 0 1 320.389 3.403 20 5 DGBDMN O=C(CCCc1ccsc1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837628578 630289879 /nfs/dbraw/zinc/28/98/79/630289879.db2.gz PFSKRZUKPYVVSU-UHFFFAOYSA-N 0 1 321.354 3.428 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCSC[C@H]2C2CCC2)cc1F ZINC000842171436 630501870 /nfs/dbraw/zinc/50/18/70/630501870.db2.gz RCYRQVKGOWPNRS-HNNXBMFYSA-N 0 1 310.394 3.451 20 5 DGBDMN O=C1O[C@H](CSCc2cc(O)ccc2[N+](=O)[O-])CC12CCC2 ZINC000844645654 630747195 /nfs/dbraw/zinc/74/71/95/630747195.db2.gz RJTAJQXBWLYZHU-LBPRGKRZSA-N 0 1 323.370 3.019 20 5 DGBDMN CN(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)CC(C)(C)C ZINC000848477981 631667991 /nfs/dbraw/zinc/66/79/91/631667991.db2.gz ADXCCVAENNHSBO-UHFFFAOYSA-N 0 1 302.378 3.394 20 5 DGBDMN O=C(Oc1ccc(OC2CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000851350342 632384091 /nfs/dbraw/zinc/38/40/91/632384091.db2.gz SWQJTKKFXRFOGA-UHFFFAOYSA-N 0 1 302.286 3.073 20 5 DGBDMN Cc1noc(CN2C[C@H](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000852047327 632544567 /nfs/dbraw/zinc/54/45/67/632544567.db2.gz ZQLAVZZCVCLBTK-RISCZKNCSA-N 0 1 301.346 3.474 20 5 DGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3ccco3)CC2)c1 ZINC000852323943 632587866 /nfs/dbraw/zinc/58/78/66/632587866.db2.gz OAEQQBRUVMWPGU-INIZCTEOSA-N 0 1 316.357 3.101 20 5 DGBDMN C[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000852417157 632601869 /nfs/dbraw/zinc/60/18/69/632601869.db2.gz JHYAQONWKDVMPJ-NSHDSACASA-N 0 1 307.375 3.171 20 5 DGBDMN O=[N+]([O-])c1ccc(CNCc2cnc3n2CCCC3)cc1Cl ZINC000793621037 661050561 /nfs/dbraw/zinc/05/05/61/661050561.db2.gz WVXIZMTYSQPXLA-UHFFFAOYSA-N 0 1 320.780 3.071 20 5 DGBDMN CCCCC[C@H](C)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427250 655965630 /nfs/dbraw/zinc/96/56/30/655965630.db2.gz QYDWTIMOIBTFKP-KBPBESRZSA-N 0 1 321.421 3.330 20 5 DGBDMN O=[N+]([O-])c1ccccc1CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931911515 656792331 /nfs/dbraw/zinc/79/23/31/656792331.db2.gz NUISMASJLVNRCG-LBPRGKRZSA-N 0 1 318.270 3.461 20 5 DGBDMN CCN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000174725702 659541083 /nfs/dbraw/zinc/54/10/83/659541083.db2.gz YOHPHSJFVCBYBI-SFHVURJKSA-N 0 1 314.385 3.459 20 5 DGBDMN COc1cc([C@@H](C)NCC[N+](=O)[O-])ccc1OCCC(C)C ZINC000930208141 661377725 /nfs/dbraw/zinc/37/77/25/661377725.db2.gz KODSICMZNGFWJA-CYBMUJFWSA-N 0 1 310.394 3.047 20 5 DGBDMN COc1ccccc1-c1ccc([C@H](C)NCC[N+](=O)[O-])cc1 ZINC000930226711 661379775 /nfs/dbraw/zinc/37/97/75/661379775.db2.gz WEJOIOYBOFYFOY-ZDUSSCGKSA-N 0 1 300.358 3.290 20 5 DGBDMN CC(C)C[C@@H](C)N(C)C(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180180 661544921 /nfs/dbraw/zinc/54/49/21/661544921.db2.gz PLAGUOKSCFQXBL-ZIAGYGMSSA-N 0 1 321.421 3.138 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](C3CCOCC3)C2)cs1 ZINC000933076072 661616141 /nfs/dbraw/zinc/61/61/41/661616141.db2.gz CTNYVVLVDOCYFH-AWEZNQCLSA-N 0 1 310.419 3.295 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](O)c1ccccc1 ZINC000084439718 662200725 /nfs/dbraw/zinc/20/07/25/662200725.db2.gz SKZZUIUXIIRZEK-HNNXBMFYSA-N 0 1 306.749 3.071 20 5 DGBDMN CCOC(OCC)[C@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC001663513741 1196892034 /nfs/dbraw/zinc/89/20/34/1196892034.db2.gz AFRISSAOVWJXEY-ZDUSSCGKSA-N 0 1 310.394 3.089 20 5 DGBDMN Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC001600203685 1192805608 /nfs/dbraw/zinc/80/56/08/1192805608.db2.gz SLDPUDHHQIZNMK-JTQLQIEISA-N 0 1 304.302 3.045 20 5 DGBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CCC[C@@H](CF)C3)c2)c1 ZINC001333310155 1178586166 /nfs/dbraw/zinc/58/61/66/1178586166.db2.gz PHPQAZOQQVRRHS-ZDUSSCGKSA-N 0 1 318.352 3.097 20 5 DGBDMN O=[N+]([O-])CCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001334687598 1178779860 /nfs/dbraw/zinc/77/98/60/1178779860.db2.gz XWQFHYZWEGIYBU-INIZCTEOSA-N 0 1 306.312 3.115 20 5 DGBDMN O=[N+]([O-])c1ccc2[nH]c(CNCc3ccc4c(c3)CCC4)nc2c1 ZINC001343928006 1179349838 /nfs/dbraw/zinc/34/98/38/1179349838.db2.gz QXWJGCYLZKRPDB-UHFFFAOYSA-N 0 1 322.368 3.250 20 5 DGBDMN Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001354374926 1180780967 /nfs/dbraw/zinc/78/09/67/1180780967.db2.gz DRHWKRITWFYSQN-QZTJIDSGSA-N 0 1 324.380 3.189 20 5 DGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)C(C)(C)C1 ZINC001473365959 1181481256 /nfs/dbraw/zinc/48/12/56/1181481256.db2.gz YBMGMBNLBBAAOL-OLZOCXBDSA-N 0 1 319.405 3.290 20 5 DGBDMN CCC(CC)(CC)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001435532085 1181822966 /nfs/dbraw/zinc/82/29/66/1181822966.db2.gz ZARZOWIXMMPBTB-UHFFFAOYSA-N 0 1 318.377 3.417 20 5 DGBDMN O=C(Nc1c(O)cccc1Cl)c1cc(F)ccc1[N+](=O)[O-] ZINC001450260518 1182246978 /nfs/dbraw/zinc/24/69/78/1182246978.db2.gz KHPQEOHLHAKIMX-UHFFFAOYSA-N 0 1 310.668 3.345 20 5 DGBDMN Cc1ccc(NC(=O)c2ccc(O)c(Cl)c2)c(N)c1[N+](=O)[O-] ZINC001456738521 1182428760 /nfs/dbraw/zinc/42/87/60/1182428760.db2.gz BOTYGLBCYPNJPN-UHFFFAOYSA-N 0 1 321.720 3.097 20 5 DGBDMN CCC(CC)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC001464405487 1183090679 /nfs/dbraw/zinc/09/06/79/1183090679.db2.gz WXRUYRFGEAIIOD-GFCCVEGCSA-N 0 1 322.390 3.287 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC001473187893 1183726530 /nfs/dbraw/zinc/72/65/30/1183726530.db2.gz UJZXPVCWKQKKEH-NVXWUHKLSA-N 0 1 322.405 3.239 20 5 DGBDMN COc1ccc(CN2CCC[C@H]2COC(C)(C)C)cc1[N+](=O)[O-] ZINC001473782683 1183801407 /nfs/dbraw/zinc/80/14/07/1183801407.db2.gz ZHLCFQMBBOQQSB-AWEZNQCLSA-N 0 1 322.405 3.383 20 5 DGBDMN O=[N+]([O-])c1ccc(CCN[C@@H]2COc3cc(F)cc(F)c32)cc1 ZINC001474438265 1183922056 /nfs/dbraw/zinc/92/20/56/1183922056.db2.gz FDRQDAFSPINJQF-CQSZACIVSA-N 0 1 320.295 3.139 20 5 DGBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN(C)Cc1cccc(=O)[nH]1 ZINC001474721230 1183967588 /nfs/dbraw/zinc/96/75/88/1183967588.db2.gz URFASKLORUENBW-UKTHLTGXSA-N 0 1 313.357 3.231 20 5 DGBDMN CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001538265222 1188129489 /nfs/dbraw/zinc/12/94/89/1188129489.db2.gz GZUVXIDPYBHMJM-MGPQQGTHSA-N 0 1 322.792 3.100 20 5 DGBDMN Cc1nc2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc2[nH]1 ZINC001545563471 1188433801 /nfs/dbraw/zinc/43/38/01/1188433801.db2.gz TVDJUPOKODDJRH-UHFFFAOYSA-N 0 1 314.276 3.171 20 5 DGBDMN Cc1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)[nH]1 ZINC001556689921 1189013563 /nfs/dbraw/zinc/01/35/63/1189013563.db2.gz HUHIQVVIRGUKRE-UHFFFAOYSA-N 0 1 317.349 3.007 20 5 DGBDMN C=COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001556964577 1189031891 /nfs/dbraw/zinc/03/18/91/1189031891.db2.gz FGVFJKXDJFWALG-UHFFFAOYSA-N 0 1 300.270 3.075 20 5 DGBDMN Cc1cc([C@@H]2CCCCN2C(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC001558569439 1189135615 /nfs/dbraw/zinc/13/56/15/1189135615.db2.gz ULGWRINSVRWPJZ-LBPRGKRZSA-N 0 1 320.374 3.055 20 5 DGBDMN CCC[C@H](CC)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001558927325 1189157025 /nfs/dbraw/zinc/15/70/25/1189157025.db2.gz QPYHUKQCEACXFZ-JTQLQIEISA-N 0 1 317.349 3.145 20 5 DGBDMN O=[N+]([O-])c1cccc(Br)c1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC001560546883 1189339227 /nfs/dbraw/zinc/33/92/27/1189339227.db2.gz MICFCSKKOOSOQZ-WOFXILAISA-N 0 1 311.179 3.245 20 5 DGBDMN C[C@H](NCc1ccc2c(c1)ncn2C)c1ccccc1[N+](=O)[O-] ZINC001560578592 1189344008 /nfs/dbraw/zinc/34/40/08/1189344008.db2.gz ZEGFCYMFQBLKPW-LBPRGKRZSA-N 0 1 310.357 3.332 20 5 DGBDMN CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001569908389 1190771824 /nfs/dbraw/zinc/77/18/24/1190771824.db2.gz NPCDSJSAESZHPI-NEPJUHHUSA-N 0 1 322.361 3.130 20 5 DGBDMN O=C(Nc1ccc(O)c(Cl)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001623480200 1193935122 /nfs/dbraw/zinc/93/51/22/1193935122.db2.gz FCTQDIDWLDSAEN-UHFFFAOYSA-N 0 1 310.668 3.345 20 5 DGBDMN CC1(C)CCC[C@H]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001630136563 1194270920 /nfs/dbraw/zinc/27/09/20/1194270920.db2.gz NYRBIABMVRYUHJ-LBPRGKRZSA-N 0 1 306.362 3.247 20 5 DGBDMN CCC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCCC1 ZINC001632432626 1194388868 /nfs/dbraw/zinc/38/88/68/1194388868.db2.gz NFFPMODUDRENLP-UHFFFAOYSA-N 0 1 306.362 3.391 20 5 DGBDMN 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ZINC000093278843 400236431 /nfs/dbraw/zinc/23/64/31/400236431.db2.gz UAYYJYZTHNQPBA-AWEZNQCLSA-N 0 1 320.389 3.006 20 5 DGBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c(F)c1 ZINC000601136109 400243888 /nfs/dbraw/zinc/24/38/88/400243888.db2.gz PCJZCCSGTJJQLJ-SJORKVTESA-N 0 1 316.332 3.354 20 5 DGBDMN Cc1noc(CN2CCc3ccc(F)cc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000595564753 400189551 /nfs/dbraw/zinc/18/95/51/400189551.db2.gz VEAMFBSDORZOMP-SNVBAGLBSA-N 0 1 319.336 3.192 20 5 DGBDMN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c3cccnc23)[nH]n1 ZINC000092685752 400194872 /nfs/dbraw/zinc/19/48/72/400194872.db2.gz VMOYMRJGRHWBIG-SNVBAGLBSA-N 0 1 311.345 3.218 20 5 DGBDMN COc1cccc(CN(C)CCc2ccccc2[N+](=O)[O-])c1F ZINC000589185025 400270954 /nfs/dbraw/zinc/27/09/54/400270954.db2.gz OXSZUANKUFKLQC-UHFFFAOYSA-N 0 1 318.348 3.417 20 5 DGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595786294 400259725 /nfs/dbraw/zinc/25/97/25/400259725.db2.gz HMCMADRIJILGCG-SUMWQHHRSA-N 0 1 320.389 3.082 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611350083 400382714 /nfs/dbraw/zinc/38/27/14/400382714.db2.gz ATIXNIHRQZEVMY-KGLIPLIRSA-N 0 1 322.380 3.373 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(OCC2CC2)CC1 ZINC000611274461 400371486 /nfs/dbraw/zinc/37/14/86/400371486.db2.gz FAMVRZGLHVBOJV-HYXAFXHYSA-N 0 1 316.401 3.499 20 5 DGBDMN CC(C)[C@@H]1CCc2[nH]n(-c3cccc([N+](=O)[O-])c3)c(=O)c2C1 ZINC000601930651 400378156 /nfs/dbraw/zinc/37/81/56/400378156.db2.gz CHGAYPALMVQJDK-BXUZGUMPSA-N 0 1 301.346 3.370 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000611557805 400420853 /nfs/dbraw/zinc/42/08/53/400420853.db2.gz AJGNUGYNOHIFPV-OAHLLOKOSA-N 0 1 316.288 3.027 20 5 DGBDMN CC(C)OCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602612208 400511957 /nfs/dbraw/zinc/51/19/57/400511957.db2.gz HVLMWZHIXUMQBD-UHFFFAOYSA-N 0 1 306.284 3.128 20 5 DGBDMN COC(C)(C)CN(C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602483357 400476005 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O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC2(CCCC2)CC1 ZINC000597954285 400704148 /nfs/dbraw/zinc/70/41/48/400704148.db2.gz HWTVMPPRYPKZOS-UHFFFAOYSA-N 0 1 318.373 3.487 20 5 DGBDMN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000603662099 400707113 /nfs/dbraw/zinc/70/71/13/400707113.db2.gz IFKFQWIDXPPTQB-UHFFFAOYSA-N 0 1 322.311 3.384 20 5 DGBDMN CCCCC[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000598458925 400816134 /nfs/dbraw/zinc/81/61/34/400816134.db2.gz BOTDKIASRJMDCC-LBPRGKRZSA-N 0 1 308.382 3.201 20 5 DGBDMN Cc1ccc([C@H](C)N[C@@H](CO)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000358151201 285983855 /nfs/dbraw/zinc/98/38/55/285983855.db2.gz CLCCBKKPNYQSHI-LRDDRELGSA-N 0 1 318.348 3.427 20 5 DGBDMN C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073494 400950636 /nfs/dbraw/zinc/95/06/36/400950636.db2.gz HBZFUGZAWQJIDI-DYVFJYSZSA-N 0 1 303.406 3.262 20 5 DGBDMN C[C@@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073493 400950812 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QJLLACNMCRLOPV-LLVKDONJSA-N 0 1 319.386 3.254 20 5 DGBDMN COc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595002877 401226089 /nfs/dbraw/zinc/22/60/89/401226089.db2.gz AJJWONRDAIGJLB-GFCCVEGCSA-N 0 1 316.357 3.463 20 5 DGBDMN COCc1csc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000594987086 401220625 /nfs/dbraw/zinc/22/06/25/401220625.db2.gz WIKZWRCAJAENHJ-UHFFFAOYSA-N 0 1 306.387 3.401 20 5 DGBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000065533083 401270528 /nfs/dbraw/zinc/27/05/28/401270528.db2.gz GOWVYXUBYAPHHT-UHFFFAOYSA-N 0 1 322.311 3.384 20 5 DGBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000065208718 401261164 /nfs/dbraw/zinc/26/11/64/401261164.db2.gz RIGWBCDNSJLSFS-UHFFFAOYSA-N 0 1 304.321 3.245 20 5 DGBDMN O=[N+]([O-])c1ccccc1CN1CCC(n2cc(Cl)cn2)CC1 ZINC000360636705 286511887 /nfs/dbraw/zinc/51/18/87/286511887.db2.gz JMJWPUBPBAMRDJ-UHFFFAOYSA-N 0 1 320.780 3.282 20 5 DGBDMN CC(C)(C)C[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230143276 165392663 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DGBDMN COc1cc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347637837 264256470 /nfs/dbraw/zinc/25/64/70/264256470.db2.gz IOGOOSPSJVPTIP-VXGBXAGGSA-N 0 1 301.346 3.410 20 5 DGBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC2(CCC2)C1 ZINC000348181194 264358391 /nfs/dbraw/zinc/35/83/91/264358391.db2.gz NBXCNRXCKDIDIS-CYBMUJFWSA-N 0 1 317.389 3.188 20 5 DGBDMN Cn1ccnc1[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000353046532 265279753 /nfs/dbraw/zinc/27/97/53/265279753.db2.gz KRHXWNDXGDVNIZ-NBUZRDOWSA-N 0 1 312.373 3.082 20 5 DGBDMN Cc1ccccc1-n1nccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000354551950 265807890 /nfs/dbraw/zinc/80/78/90/265807890.db2.gz ZTCIGTQUAAVTBL-UHFFFAOYSA-N 0 1 322.368 3.379 20 5 DGBDMN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356310449 266350353 /nfs/dbraw/zinc/35/03/53/266350353.db2.gz IFSVUYQCGILNMT-YRGRVCCFSA-N 0 1 318.373 3.389 20 5 DGBDMN CCCn1nc(C)c(CNCc2cccc([N+](=O)[O-])c2C)c1C ZINC000359814007 270990622 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Nc1ccc2c(c1)CCC[C@H]2NCc1csc([N+](=O)[O-])c1 ZINC000414920486 433917427 /nfs/dbraw/zinc/91/74/27/433917427.db2.gz XTJYCVOGSAGEDN-CQSZACIVSA-N 0 1 303.387 3.406 20 5 DGBDMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000362849649 433884523 /nfs/dbraw/zinc/88/45/23/433884523.db2.gz DBGXIUOUDFPSLD-ZIAGYGMSSA-N 0 1 314.389 3.015 20 5 DGBDMN CCc1ccc([C@H](O)CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000285517607 433981729 /nfs/dbraw/zinc/98/17/29/433981729.db2.gz OBGFHXPHAPHRBT-CQSZACIVSA-N 0 1 306.387 3.042 20 5 DGBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000416282574 434086071 /nfs/dbraw/zinc/08/60/71/434086071.db2.gz CRRRPLBJXDZWSW-ZYHUDNBSSA-N 0 1 322.409 3.167 20 5 DGBDMN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000286395255 434255277 /nfs/dbraw/zinc/25/52/77/434255277.db2.gz MUHCDOIQXLGGMM-LURJTMIESA-N 0 1 315.255 3.213 20 5 DGBDMN CCn1cc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cn1 ZINC000286413375 434261173 /nfs/dbraw/zinc/26/11/73/434261173.db2.gz PGLFQTROPIWUCY-UHFFFAOYSA-N 0 1 311.345 3.280 20 5 DGBDMN Cc1c(CNCc2cn(C)nc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000323063985 434262493 /nfs/dbraw/zinc/26/24/93/434262493.db2.gz MTUKZEWZSMBWMP-UHFFFAOYSA-N 0 1 316.405 3.224 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000366651113 434474216 /nfs/dbraw/zinc/47/42/16/434474216.db2.gz HJKWSXPITGAAIA-WCQYABFASA-N 0 1 310.781 3.107 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](COC(F)F)C1 ZINC000348882634 434540239 /nfs/dbraw/zinc/54/02/39/434540239.db2.gz ZBRPSQZOKPERTA-PYEVWLCESA-N 0 1 312.316 3.169 20 5 DGBDMN Cc1ccc(CN2CCC(OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000418089360 434584626 /nfs/dbraw/zinc/58/46/26/434584626.db2.gz CAZSLPJLTRVUCK-UHFFFAOYSA-N 0 1 304.390 3.437 20 5 DGBDMN NC1(c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424339399 434703334 /nfs/dbraw/zinc/70/33/34/434703334.db2.gz QKRBCWHXJNLTEJ-TWGQIWQCSA-N 0 1 314.345 3.266 20 5 DGBDMN CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000440955530 434757559 /nfs/dbraw/zinc/75/75/59/434757559.db2.gz GGXXSODMPBFUFI-HZPDHXFCSA-N 0 1 320.389 3.006 20 5 DGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](n2cccn2)C1 ZINC000441481439 434763442 /nfs/dbraw/zinc/76/34/42/434763442.db2.gz NRBXMNSQDKYBPC-UONOGXRCSA-N 0 1 300.362 3.189 20 5 DGBDMN CC(C)(C)c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000453028807 434780144 /nfs/dbraw/zinc/78/01/44/434780144.db2.gz UWXULUSCYQZKKH-UHFFFAOYSA-N 0 1 313.317 3.332 20 5 DGBDMN C[C@H]1CCC[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444638759 434787742 /nfs/dbraw/zinc/78/77/42/434787742.db2.gz LVBNBXQTKYKHRR-RYUDHWBXSA-N 0 1 302.378 3.482 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(O)c(F)c2)no1 ZINC000445480552 434805324 /nfs/dbraw/zinc/80/53/24/434805324.db2.gz ZUXNDLJDZTUIKK-UHFFFAOYSA-N 0 1 315.260 3.465 20 5 DGBDMN Cc1c(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000453264729 434845248 /nfs/dbraw/zinc/84/52/48/434845248.db2.gz VTBXTICBTGGSPI-GHMZBOCLSA-N 0 1 316.361 3.326 20 5 DGBDMN CCC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000466489261 435078720 /nfs/dbraw/zinc/07/87/20/435078720.db2.gz AJHGAGAMHMURIX-KBPBESRZSA-N 0 1 319.405 3.434 20 5 DGBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1c1ccccn1 ZINC000530724429 435048724 /nfs/dbraw/zinc/04/87/24/435048724.db2.gz IEMASRNYCRPTEC-OAHLLOKOSA-N 0 1 313.357 3.206 20 5 DGBDMN CCOc1cc(N2CCN(CC=C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000579283615 435143645 /nfs/dbraw/zinc/14/36/45/435143645.db2.gz NRVUNKOUGBXRGL-UHFFFAOYSA-N 0 1 319.405 3.082 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N(C)C)nc1 ZINC000532450452 435165501 /nfs/dbraw/zinc/16/55/01/435165501.db2.gz UZHKLDFITUVHBW-ZDUSSCGKSA-N 0 1 314.389 3.215 20 5 DGBDMN COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1O ZINC000532488411 435169798 /nfs/dbraw/zinc/16/97/98/435169798.db2.gz JSYKILGPCVVHBC-LBPRGKRZSA-N 0 1 316.357 3.468 20 5 DGBDMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000533229703 435216415 /nfs/dbraw/zinc/21/64/15/435216415.db2.gz CUVURRWHBRVLHJ-NWDGAFQWSA-N 0 1 322.409 3.482 20 5 DGBDMN CCC(=O)c1ccc(N[C@@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000479939604 435359190 /nfs/dbraw/zinc/35/91/90/435359190.db2.gz MBHNVRCYUZMBKR-ZDUSSCGKSA-N 0 1 319.405 3.474 20 5 DGBDMN O=C([O-])CC1(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000568414191 435435110 /nfs/dbraw/zinc/43/51/10/435435110.db2.gz DMYRAWKNZGRBIS-CQSZACIVSA-N 0 1 318.373 3.029 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(N(C)C)n1 ZINC000540138720 435588616 /nfs/dbraw/zinc/58/86/16/435588616.db2.gz FRZRZMNTIWWQFP-CYBMUJFWSA-N 0 1 314.389 3.215 20 5 DGBDMN CCC[C@H](C)[C@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803748 435615993 /nfs/dbraw/zinc/61/59/93/435615993.db2.gz SVSPMJSNJRJUBJ-DZGCQCFKSA-N 0 1 319.405 3.434 20 5 DGBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000540932977 435626053 /nfs/dbraw/zinc/62/60/53/435626053.db2.gz RHYQAFBWLFCSDW-XFBWCDHKSA-N 0 1 318.373 3.341 20 5 DGBDMN COCCN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487965744 435631820 /nfs/dbraw/zinc/63/18/20/435631820.db2.gz URODLFBCPWPYAB-WFASDCNBSA-N 0 1 310.369 3.371 20 5 DGBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@H](c4ccncc4)C3)nc2c1 ZINC000570695024 435641942 /nfs/dbraw/zinc/64/19/42/435641942.db2.gz PPCWWNHKUATBAM-ZDUSSCGKSA-N 0 1 324.340 3.121 20 5 DGBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc2nc[nH]c2c1 ZINC000491279998 435724998 /nfs/dbraw/zinc/72/49/98/435724998.db2.gz RTMMIKNMKQYAFD-DAXSKMNVSA-N 0 1 308.297 3.123 20 5 DGBDMN CCN(CCNc1ccc(F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491546397 435768352 /nfs/dbraw/zinc/76/83/52/435768352.db2.gz MXZXJBYVBNIKCV-UHFFFAOYSA-N 0 1 323.290 3.420 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000166605262 312694548 /nfs/dbraw/zinc/69/45/48/312694548.db2.gz CGDJKWPOBIVTKH-OCBCSQNSSA-N 0 1 312.369 3.212 20 5 DGBDMN Cc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000172181541 312742717 /nfs/dbraw/zinc/74/27/17/312742717.db2.gz ANGZMQRFHSDDLW-UHFFFAOYSA-N 0 1 320.370 3.321 20 5 DGBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000177909200 312784649 /nfs/dbraw/zinc/78/46/49/312784649.db2.gz DPPVYIHQOKKVEP-CYBMUJFWSA-N 0 1 313.357 3.193 20 5 DGBDMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532216742 313528579 /nfs/dbraw/zinc/52/85/79/313528579.db2.gz CANIMBBILJUCHI-RYUDHWBXSA-N 0 1 302.378 3.357 20 5 DGBDMN CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000542809253 314099583 /nfs/dbraw/zinc/09/95/83/314099583.db2.gz SDQMLKWAMGKYRY-IAQYHMDHSA-N 0 1 306.362 3.389 20 5 DGBDMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000566510468 315355183 /nfs/dbraw/zinc/35/51/83/315355183.db2.gz SDDMPMSFQCANPW-LLVKDONJSA-N 0 1 318.329 3.122 20 5 DGBDMN Cc1oc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000576046572 316088647 /nfs/dbraw/zinc/08/86/47/316088647.db2.gz UOSDIFKQLGSTAV-JTQLQIEISA-N 0 1 318.329 3.387 20 5 DGBDMN Cc1oc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000576046572 316088650 /nfs/dbraw/zinc/08/86/50/316088650.db2.gz UOSDIFKQLGSTAV-JTQLQIEISA-N 0 1 318.329 3.387 20 5 DGBDMN CCC[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185858604 323396656 /nfs/dbraw/zinc/39/66/56/323396656.db2.gz LQEBGMUMULEJTN-ZDUSSCGKSA-N 0 1 305.378 3.188 20 5 DGBDMN Cc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1[N+](=O)[O-] ZINC000428389843 533924724 /nfs/dbraw/zinc/92/47/24/533924724.db2.gz AEZLJSZMRODXPC-MRXNPFEDSA-N 0 1 304.390 3.294 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000298121444 534343639 /nfs/dbraw/zinc/34/36/39/534343639.db2.gz BSSYLAVWLYUNAB-XQQFMLRXSA-N 0 1 305.378 3.103 20 5 DGBDMN O=C(Nc1cnc2ccccc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427925826 534450039 /nfs/dbraw/zinc/45/00/39/534450039.db2.gz VSKKGNZNKHQKJW-UHFFFAOYSA-N 0 1 309.281 3.101 20 5 DGBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@H]1Cc2cccc(O)c2C1 ZINC000429289455 534885953 /nfs/dbraw/zinc/88/59/53/534885953.db2.gz CJTXAKDHXOOYKB-NSHDSACASA-N 0 1 318.760 3.211 20 5 DGBDMN CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000427910470 527161393 /nfs/dbraw/zinc/16/13/93/527161393.db2.gz BGTIRUPIPGECBC-UHFFFAOYSA-N 0 1 314.341 3.008 20 5 DGBDMN CCO[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430228609 528131257 /nfs/dbraw/zinc/13/12/57/528131257.db2.gz SNAYPAQKXWJHRP-HOTGVXAUSA-N 0 1 322.405 3.239 20 5 DGBDMN CCCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000434576274 528376077 /nfs/dbraw/zinc/37/60/77/528376077.db2.gz QYJPBVZBDFBJSE-UHFFFAOYSA-N 0 1 305.378 3.106 20 5 DGBDMN CC(C)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444748201 528670363 /nfs/dbraw/zinc/67/03/63/528670363.db2.gz HKFAUZBUZNHMLU-ZIAGYGMSSA-N 0 1 319.405 3.290 20 5 DGBDMN CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](C)CO ZINC000292371517 528766861 /nfs/dbraw/zinc/76/68/61/528766861.db2.gz YQFCKGOVTWIPSY-MRVPVSSYSA-N 0 1 307.177 3.104 20 5 DGBDMN CC1(C)CCCN(CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000443969470 528938464 /nfs/dbraw/zinc/93/84/64/528938464.db2.gz YEIDORAFIDPWDQ-UHFFFAOYSA-N 0 1 312.801 3.177 20 5 DGBDMN CCC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178095756 529019579 /nfs/dbraw/zinc/01/95/79/529019579.db2.gz QAEJCUIWVZOKKK-IUODEOHRSA-N 0 1 321.421 3.329 20 5 DGBDMN CC[C@@H](NCc1cccn(CC)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000433097294 529187503 /nfs/dbraw/zinc/18/75/03/529187503.db2.gz LUKBJTOSIBIDMF-MRXNPFEDSA-N 0 1 315.373 3.017 20 5 DGBDMN CC[C@H](C)[C@@H](C)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000432490242 529202211 /nfs/dbraw/zinc/20/22/11/529202211.db2.gz OJYIZEWEWNNYRH-WDEREUQCSA-N 0 1 306.362 3.340 20 5 DGBDMN CC[C@@H](C)CN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732205753 574568325 /nfs/dbraw/zinc/56/83/25/574568325.db2.gz LMEVSWIUMWLUQT-SNVBAGLBSA-N 0 1 313.785 3.165 20 5 DGBDMN CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000738312954 574865669 /nfs/dbraw/zinc/86/56/69/574865669.db2.gz SBNJYNWEYSSGHB-UHFFFAOYSA-N 0 1 311.769 3.061 20 5 DGBDMN Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746049783 575428925 /nfs/dbraw/zinc/42/89/25/575428925.db2.gz YPZPJYSRSHTYNR-BZNIZROVSA-N 0 1 312.373 3.421 20 5 DGBDMN CN(C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000749156185 575631536 /nfs/dbraw/zinc/63/15/36/575631536.db2.gz YAOMOMFFJDPBSJ-UHFFFAOYSA-N 0 1 317.320 3.048 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000749558954 575664911 /nfs/dbraw/zinc/66/49/11/575664911.db2.gz KDZXNMOILVDIBI-QWHCGFSZSA-N 0 1 324.808 3.497 20 5 DGBDMN CO[C@]1(C)C[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000752074869 575821152 /nfs/dbraw/zinc/82/11/52/575821152.db2.gz JAAQRYQMUOTFNT-GDBMZVCRSA-N 0 1 310.369 3.369 20 5 DGBDMN O=C(CN1CCC[C@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728572205 576188617 /nfs/dbraw/zinc/18/86/17/576188617.db2.gz YPLUOPQHOGPSEY-ZDUSSCGKSA-N 0 1 323.780 3.061 20 5 DGBDMN O=[N+]([O-])c1ccc(F)cc1CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852759238 620646042 /nfs/dbraw/zinc/64/60/42/620646042.db2.gz LVOIKGNIRNCYTF-CALCHBBNSA-N 0 1 320.364 3.127 20 5 DGBDMN CCCCN(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)CC ZINC000917436296 620668607 /nfs/dbraw/zinc/66/86/07/620668607.db2.gz AJBSHHRLAGQRRK-GFCCVEGCSA-N 0 1 321.377 3.361 20 5 DGBDMN CC[C@@H](C)N1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853670063 620722964 /nfs/dbraw/zinc/72/29/64/620722964.db2.gz FYRLSMKKJGVMHL-LLVKDONJSA-N 0 1 313.348 3.453 20 5 DGBDMN CC(C)N1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000923760477 620734668 /nfs/dbraw/zinc/73/46/68/620734668.db2.gz SMDOJUSHFGOHIY-CYBMUJFWSA-N 0 1 302.334 3.190 20 5 DGBDMN O=C(OCCCOc1ccccc1Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000920150489 620787138 /nfs/dbraw/zinc/78/71/38/620787138.db2.gz NHOGUYCEJFFDLE-UHFFFAOYSA-N 0 1 324.720 3.202 20 5 DGBDMN CO[C@H]1CC[C@H]1N(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000897147388 619022793 /nfs/dbraw/zinc/02/27/93/619022793.db2.gz LMWDGJJVALOCAC-ZBFHGGJFSA-N 0 1 301.346 3.065 20 5 DGBDMN CC[C@@H](N)c1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398619 619495605 /nfs/dbraw/zinc/49/56/05/619495605.db2.gz WUHBLYKZERQHIX-GFCCVEGCSA-N 0 1 316.361 3.260 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000901551977 619518749 /nfs/dbraw/zinc/51/87/49/619518749.db2.gz LZHQNTUPQNJKHV-CQSZACIVSA-N 0 1 320.389 3.288 20 5 DGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902558751 619651826 /nfs/dbraw/zinc/65/18/26/619651826.db2.gz BNELTYLDZXJBAT-DUCLZDJCSA-N 0 1 318.373 3.041 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cc(N(C)C)ccn1 ZINC000903202148 619735781 /nfs/dbraw/zinc/73/57/81/619735781.db2.gz XWKNBAQWWUOXDY-ZDUSSCGKSA-N 0 1 314.389 3.215 20 5 DGBDMN Cc1c([C@@H](C)NCc2cc(N(C)C)ccn2)cccc1[N+](=O)[O-] ZINC000903201765 619736099 /nfs/dbraw/zinc/73/60/99/619736099.db2.gz MUGGBOKDNHBRCS-CYBMUJFWSA-N 0 1 314.389 3.215 20 5 DGBDMN Cc1nn(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000915207794 620573725 /nfs/dbraw/zinc/57/37/25/620573725.db2.gz CCMOHICJNZBNCT-CQDKDKBSSA-N 0 1 306.410 3.266 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C/CNCc1nc2c(s1)CCC2 ZINC000922469673 621040921 /nfs/dbraw/zinc/04/09/21/621040921.db2.gz FKWCNBCBVUNXBE-GQCTYLIASA-N 0 1 315.398 3.343 20 5 DGBDMN CC(C)c1ncsc1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000838055211 621206604 /nfs/dbraw/zinc/20/66/04/621206604.db2.gz RZKNFFKIMOGDIU-UHFFFAOYSA-N 0 1 322.342 3.237 20 5 DGBDMN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839691118 621708641 /nfs/dbraw/zinc/70/86/41/621708641.db2.gz HHPQOLIBKDBICQ-APHBMKBZSA-N 0 1 302.374 3.042 20 5 DGBDMN C[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1[N+](=O)[O-] ZINC000757879830 621744979 /nfs/dbraw/zinc/74/49/79/621744979.db2.gz DUESASLBWCGXET-ZYHUDNBSSA-N 0 1 315.329 3.042 20 5 DGBDMN CCc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120107608 621782899 /nfs/dbraw/zinc/78/28/99/621782899.db2.gz OCHJJBOZVLPXIJ-UHFFFAOYSA-N 0 1 312.372 3.020 20 5 DGBDMN CC(C)C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccn1 ZINC000761374414 622003876 /nfs/dbraw/zinc/00/38/76/622003876.db2.gz HAUCBCGIBZALMW-ZDUSSCGKSA-N 0 1 303.318 3.262 20 5 DGBDMN CCc1nc(CN[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866262982 622079042 /nfs/dbraw/zinc/07/90/42/622079042.db2.gz KENBVTBEBWHQON-JTQLQIEISA-N 0 1 323.393 3.474 20 5 DGBDMN CC(C)CCC[C@@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942833 622195471 /nfs/dbraw/zinc/19/54/71/622195471.db2.gz GZGRTLLUFZKYTE-CXAGYDPISA-N 0 1 321.421 3.100 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(NCc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000765503136 622269221 /nfs/dbraw/zinc/26/92/21/622269221.db2.gz ODFHRAOWZJVESF-UHFFFAOYSA-N 0 1 317.736 3.440 20 5 DGBDMN O=C(Nc1ccc(F)cc1O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768721804 622472782 /nfs/dbraw/zinc/47/27/82/622472782.db2.gz NZADRGAGIBBOEI-UHFFFAOYSA-N 0 1 310.668 3.345 20 5 DGBDMN CCC[C@]1(CO)CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000769912575 622574874 /nfs/dbraw/zinc/57/48/74/622574874.db2.gz GKATUMKRAGGMAY-OAHLLOKOSA-N 0 1 312.797 3.375 20 5 DGBDMN C[C@@H](NC[C@@](C)(O)c1cccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037444 622766812 /nfs/dbraw/zinc/76/68/12/622766812.db2.gz FTRNTIGRKINRGG-MEBBXXQBSA-N 0 1 324.377 3.354 20 5 DGBDMN C[C@H](NCC1(CO)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050036 622775954 /nfs/dbraw/zinc/77/59/54/622775954.db2.gz WBHHYNNBJMVXNG-LBPRGKRZSA-N 0 1 310.369 3.327 20 5 DGBDMN CC(C)[C@@H](O)C(C)(C)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051143 622776649 /nfs/dbraw/zinc/77/66/49/622776649.db2.gz HKWCJIVYUKHNJR-IAQYHMDHSA-N 0 1 312.385 3.428 20 5 DGBDMN CC(C)c1nc([C@@H](C)N[C@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872053046 622778077 /nfs/dbraw/zinc/77/80/77/622778077.db2.gz WETULUNHQFPZAV-NXEZZACHSA-N 0 1 321.356 3.387 20 5 DGBDMN CCOC(CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-])OCC ZINC000872064563 622784819 /nfs/dbraw/zinc/78/48/19/622784819.db2.gz HZXQSAHARZXYCO-LLVKDONJSA-N 0 1 314.357 3.174 20 5 DGBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(C(=O)[O-])cs1 ZINC000872159636 622842382 /nfs/dbraw/zinc/84/23/82/622842382.db2.gz MGMRWUZYXSPDFP-UHFFFAOYSA-N 0 1 320.370 3.029 20 5 DGBDMN CC(C)c1cc([C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000872647549 622947245 /nfs/dbraw/zinc/94/72/45/622947245.db2.gz GYAMCMVITCZJFT-LBPRGKRZSA-N 0 1 315.377 3.220 20 5 DGBDMN CCCOc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000873048057 623025398 /nfs/dbraw/zinc/02/53/98/623025398.db2.gz NSKQTUIBAIPJIK-UHFFFAOYSA-N 0 1 315.373 3.377 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cnc2n1CCCC2 ZINC000873124938 623041020 /nfs/dbraw/zinc/04/10/20/623041020.db2.gz WMVLPHLULBHPID-UHFFFAOYSA-N 0 1 314.389 3.034 20 5 DGBDMN CCc1noc(C)c1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873128518 623043248 /nfs/dbraw/zinc/04/32/48/623043248.db2.gz SWJXIDGJMGPPCB-UHFFFAOYSA-N 0 1 303.362 3.360 20 5 DGBDMN Cc1c(CN[C@H](c2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000873140488 623047929 /nfs/dbraw/zinc/04/79/29/623047929.db2.gz PJSASUXIHYGRSV-GUYCJALGSA-N 0 1 300.358 3.115 20 5 DGBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155608 623053576 /nfs/dbraw/zinc/05/35/76/623053576.db2.gz GVQLPQPJZRFYPI-YLQAJVPDSA-N 0 1 320.389 3.041 20 5 DGBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C)c(C)c1O ZINC000774839715 623198202 /nfs/dbraw/zinc/19/82/02/623198202.db2.gz VZMSJYQPNKJXOF-UHFFFAOYSA-N 0 1 316.313 3.184 20 5 DGBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000775060344 623223444 /nfs/dbraw/zinc/22/34/44/623223444.db2.gz JCERKKUMYPSYKY-LBPRGKRZSA-N 0 1 305.334 3.291 20 5 DGBDMN CCCC1(CCC)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000874625901 623308199 /nfs/dbraw/zinc/30/81/99/623308199.db2.gz CQNHDCNPAUYGFF-UHFFFAOYSA-N 0 1 308.382 3.201 20 5 DGBDMN C[C@@H](c1ccccc1F)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273775 623405108 /nfs/dbraw/zinc/40/51/08/623405108.db2.gz AJIJSNIZSJVZFQ-SJCJKPOMSA-N 0 1 318.348 3.460 20 5 DGBDMN Cc1ccc(C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000776578215 623442384 /nfs/dbraw/zinc/44/23/84/623442384.db2.gz DBARDGJAPQDPPQ-KRWDZBQOSA-N 0 1 316.357 3.194 20 5 DGBDMN Cc1ccc(CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000776578215 623442388 /nfs/dbraw/zinc/44/23/88/623442388.db2.gz DBARDGJAPQDPPQ-KRWDZBQOSA-N 0 1 316.357 3.194 20 5 DGBDMN C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000776578627 623442401 /nfs/dbraw/zinc/44/24/01/623442401.db2.gz HMNHXDWOFNGSAS-FZKQIMNGSA-N 0 1 312.369 3.248 20 5 DGBDMN CCC1CCC(N(Cn2cc([N+](=O)[O-])c(C)n2)C2CC2)CC1 ZINC000779859957 623823425 /nfs/dbraw/zinc/82/34/25/623823425.db2.gz QJSSSVMRAWDGHO-UHFFFAOYSA-N 0 1 306.410 3.490 20 5 DGBDMN Cc1ccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1 ZINC000780396615 623922496 /nfs/dbraw/zinc/92/24/96/623922496.db2.gz FHDPUVLYHFBILX-SECBINFHSA-N 0 1 306.343 3.161 20 5 DGBDMN CC(C)(O)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000877754612 624020648 /nfs/dbraw/zinc/02/06/48/624020648.db2.gz MVJXCJLHBMUUAM-FNORWQNLSA-N 0 1 304.390 3.091 20 5 DGBDMN CC(C)(O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877796761 624037670 /nfs/dbraw/zinc/03/76/70/624037670.db2.gz LTWLGGGXZYFKSN-LBPRGKRZSA-N 0 1 312.797 3.231 20 5 DGBDMN CC[C@@]1(C)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878188373 624206919 /nfs/dbraw/zinc/20/69/19/624206919.db2.gz OQLOSJHVXCLICP-INIZCTEOSA-N 0 1 316.361 3.267 20 5 DGBDMN Cc1nn(CN2C[C@@H](c3ccc(C)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000782957633 624294847 /nfs/dbraw/zinc/29/48/47/624294847.db2.gz XTXCBCUAXWLJEN-CJNGLKHVSA-N 0 1 314.389 3.244 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1Cl ZINC000783535945 624363581 /nfs/dbraw/zinc/36/35/81/624363581.db2.gz YTGRJBVMEKQYDL-LBPRGKRZSA-N 0 1 320.780 3.351 20 5 DGBDMN C[C@@](CO)(NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000783627815 624376858 /nfs/dbraw/zinc/37/68/58/624376858.db2.gz YFWJYQHVMCQMFI-INIZCTEOSA-N 0 1 320.776 3.246 20 5 DGBDMN C[C@H](OC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000783776785 624395359 /nfs/dbraw/zinc/39/53/59/624395359.db2.gz MOQPKQHMYBLNAR-CRWXNKLISA-N 0 1 320.389 3.460 20 5 DGBDMN C[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC(C)(C)C1 ZINC000784005896 624419797 /nfs/dbraw/zinc/41/97/97/624419797.db2.gz BLDVRZFAIWSOIF-GFCCVEGCSA-N 0 1 302.378 3.270 20 5 DGBDMN O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879239427 624457701 /nfs/dbraw/zinc/45/77/01/624457701.db2.gz APFUKCYAHWKOLK-QZTJIDSGSA-N 0 1 312.369 3.293 20 5 DGBDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785540504 624682934 /nfs/dbraw/zinc/68/29/34/624682934.db2.gz KSYFSXXRHOCKMB-GYSYKLTISA-N 0 1 312.797 3.230 20 5 DGBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1F ZINC000785875119 624747856 /nfs/dbraw/zinc/74/78/56/624747856.db2.gz HFLUTFWBURLZCK-UHFFFAOYSA-N 0 1 318.239 3.002 20 5 DGBDMN Cc1csc([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000880011201 624752490 /nfs/dbraw/zinc/75/24/90/624752490.db2.gz IQXWZBVIPMDUGH-LBPRGKRZSA-N 0 1 321.377 3.488 20 5 DGBDMN Cc1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000880222306 624851394 /nfs/dbraw/zinc/85/13/94/624851394.db2.gz MBQJONQLDQJLRC-MAEOIBBWSA-N 0 1 312.369 3.043 20 5 DGBDMN CO[C@H](CNC/C(C)=C/c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000786810864 624955417 /nfs/dbraw/zinc/95/54/17/624955417.db2.gz BLRFOARIOTWQDZ-BCRSCGJKSA-N 0 1 318.295 3.165 20 5 DGBDMN CCc1cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000788581274 625220399 /nfs/dbraw/zinc/22/03/99/625220399.db2.gz VKANRNBIMYDHQL-MRXNPFEDSA-N 0 1 314.389 3.393 20 5 DGBDMN CCc1cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000788581274 625220404 /nfs/dbraw/zinc/22/04/04/625220404.db2.gz VKANRNBIMYDHQL-MRXNPFEDSA-N 0 1 314.389 3.393 20 5 DGBDMN COCCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000792464060 625947171 /nfs/dbraw/zinc/94/71/71/625947171.db2.gz KRSDHLJWRVBOOQ-WFASDCNBSA-N 0 1 310.369 3.371 20 5 DGBDMN COCCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000792464054 625947735 /nfs/dbraw/zinc/94/77/35/625947735.db2.gz KRSDHLJWRVBOOQ-IUODEOHRSA-N 0 1 310.369 3.371 20 5 DGBDMN CCc1ccc([C@H](O)CNCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000796450065 626051381 /nfs/dbraw/zinc/05/13/81/626051381.db2.gz JTYHGTKNTBOJTA-QGZVFWFLSA-N 0 1 318.348 3.120 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H]1CCc2ccccc2OC1 ZINC000801574162 626410320 /nfs/dbraw/zinc/41/03/20/626410320.db2.gz QPERMYBSIFBAEJ-ZDUSSCGKSA-N 0 1 316.332 3.217 20 5 DGBDMN Cc1[nH]ncc1CN(C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884544101 626900228 /nfs/dbraw/zinc/90/02/28/626900228.db2.gz WRDJZYUPTOEAKH-UHFFFAOYSA-N 0 1 314.267 3.282 20 5 DGBDMN COCC(C)(C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809940972 626961353 /nfs/dbraw/zinc/96/13/53/626961353.db2.gz UGNGFSTUQODQNW-UHFFFAOYSA-N 0 1 307.177 3.416 20 5 DGBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000886364318 627143647 /nfs/dbraw/zinc/14/36/47/627143647.db2.gz WBGXARWFASXMGA-OAHLLOKOSA-N 0 1 302.305 3.217 20 5 DGBDMN Cc1ccccc1[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000886432514 627148477 /nfs/dbraw/zinc/14/84/77/627148477.db2.gz ZRMPDYSDZWWCEQ-KRWDZBQOSA-N 0 1 300.358 3.069 20 5 DGBDMN C[C@H](NC[C@H]1CC2(CCC2)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000886703338 627195184 /nfs/dbraw/zinc/19/51/84/627195184.db2.gz SWMQXPWAOPTSKC-NWDGAFQWSA-N 0 1 308.353 3.344 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886815377 627208005 /nfs/dbraw/zinc/20/80/05/627208005.db2.gz COZNHKRWASSQPF-IUODEOHRSA-N 0 1 310.781 3.249 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CC[C@H]([C@H]3CCCO3)C2)ccc1Cl ZINC000886822582 627208721 /nfs/dbraw/zinc/20/87/21/627208721.db2.gz RVXRTQFUDYZEOL-SWLSCSKDSA-N 0 1 310.781 3.249 20 5 DGBDMN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CO2 ZINC000815596350 627688961 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ZINC000130860608 196116507 /nfs/dbraw/zinc/11/65/07/196116507.db2.gz IKFXKOYFFLUJHY-LBPRGKRZSA-N 0 1 314.341 3.483 20 5 DGBDMN Cc1ncc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000297417951 227138606 /nfs/dbraw/zinc/13/86/06/227138606.db2.gz UMTKPKHZURBPFD-QWRGUYRKSA-N 0 1 300.362 3.413 20 5 DGBDMN Cc1cc(N[C@H]2C[C@H](O)C2(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302543863 230291633 /nfs/dbraw/zinc/29/16/33/230291633.db2.gz UFJXHEMXKOMWPK-GJZGRUSLSA-N 0 1 301.346 3.023 20 5 DGBDMN COc1cc(CN2C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000346347651 264016088 /nfs/dbraw/zinc/01/60/88/264016088.db2.gz YJRBXFQJGJGWRD-GFCCVEGCSA-N 0 1 322.405 3.480 20 5 DGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000346497835 264041873 /nfs/dbraw/zinc/04/18/73/264041873.db2.gz UVHPHWKHZIDYCH-CXAGYDPISA-N 0 1 313.357 3.204 20 5 DGBDMN CCC[C@@H](NCc1cnc(C)[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000346803173 264100265 /nfs/dbraw/zinc/10/02/65/264100265.db2.gz FEFMOIYAXURVML-OAHLLOKOSA-N 0 1 316.361 3.030 20 5 DGBDMN C[C@@H](CO)N(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000347177424 264170607 /nfs/dbraw/zinc/17/06/07/264170607.db2.gz XEQTVYXVYAMOOR-NSHDSACASA-N 0 1 312.797 3.374 20 5 DGBDMN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccncc1 ZINC000347374586 264208877 /nfs/dbraw/zinc/20/88/77/264208877.db2.gz WTKVHYPTAPCUSY-HNNXBMFYSA-N 0 1 301.346 3.239 20 5 DGBDMN CCN1C[C@@H](C)N(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC000352349731 265010021 /nfs/dbraw/zinc/01/00/21/265010021.db2.gz HBESUXRNUPOHND-QWHCGFSZSA-N 0 1 314.389 3.062 20 5 DGBDMN C[C@H]1CSC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352817364 265178942 /nfs/dbraw/zinc/17/89/42/265178942.db2.gz RBFYSOUZEREJDV-HZMBPMFUSA-N 0 1 319.386 3.091 20 5 DGBDMN C[C@H](O)C[C@@H]1CCCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352872804 265209026 /nfs/dbraw/zinc/20/90/26/265209026.db2.gz FPAFTFMLJAHTCP-STQMWFEESA-N 0 1 310.369 3.249 20 5 DGBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc2n[nH]cc2c1 ZINC000353090403 265292901 /nfs/dbraw/zinc/29/29/01/265292901.db2.gz ONZZVUSETSALCJ-JTQLQIEISA-N 0 1 314.320 3.461 20 5 DGBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc2n[nH]cc2c1 ZINC000353090404 265293560 /nfs/dbraw/zinc/29/35/60/265293560.db2.gz ONZZVUSETSALCJ-SNVBAGLBSA-N 0 1 314.320 3.461 20 5 DGBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC(C)(C)C1 ZINC000353263130 265367512 /nfs/dbraw/zinc/36/75/12/265367512.db2.gz NCUDPMGPRUNNDN-GFCCVEGCSA-N 0 1 305.378 3.044 20 5 DGBDMN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356310446 266350595 /nfs/dbraw/zinc/35/05/95/266350595.db2.gz IFSVUYQCGILNMT-MBNYWOFBSA-N 0 1 318.373 3.389 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCc2ccccc21 ZINC000356321458 266353036 /nfs/dbraw/zinc/35/30/36/266353036.db2.gz NAAQMGXBUDTLTL-UHFFFAOYSA-N 0 1 312.325 3.284 20 5 DGBDMN Cc1cc(C)c(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C)c1 ZINC000356350873 266363123 /nfs/dbraw/zinc/36/31/23/266363123.db2.gz COBUWKQLEBTSRG-UHFFFAOYSA-N 0 1 314.341 3.156 20 5 DGBDMN 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COC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000112987726 431318646 /nfs/dbraw/zinc/31/86/46/431318646.db2.gz ACFCXANKIIQCJB-AWEZNQCLSA-N 0 1 322.405 3.240 20 5 DGBDMN CCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000072111969 431331175 /nfs/dbraw/zinc/33/11/75/431331175.db2.gz QSRTVKUXADJHOT-UHFFFAOYSA-N 0 1 317.311 3.146 20 5 DGBDMN Cc1cc(S(=O)(=O)Nc2cccc(F)c2C)ccc1[N+](=O)[O-] ZINC000075082547 431451493 /nfs/dbraw/zinc/45/14/93/431451493.db2.gz PMIXXOMPBSPBCO-UHFFFAOYSA-N 0 1 324.333 3.152 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1C(C)C ZINC000117348647 431561140 /nfs/dbraw/zinc/56/11/40/431561140.db2.gz IAJHENDPCLRYAP-INIZCTEOSA-N 0 1 319.405 3.352 20 5 DGBDMN Cc1c([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000192660100 280253191 /nfs/dbraw/zinc/25/31/91/280253191.db2.gz HOWBCJZWTXDVBA-PIGZYNQJSA-N 0 1 314.389 3.365 20 5 DGBDMN O=[N+]([O-])c1ccccc1C=CCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121186568 431750561 /nfs/dbraw/zinc/75/05/61/431750561.db2.gz LYUVAUZQKHHWPQ-YFCVBGDOSA-N 0 1 312.373 3.211 20 5 DGBDMN C[C@H]1CC[C@H](C)N1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000123464348 431865697 /nfs/dbraw/zinc/86/56/97/431865697.db2.gz RRWYLWDFBIGQEG-QWRGUYRKSA-N 0 1 302.334 3.018 20 5 DGBDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123757713 431873993 /nfs/dbraw/zinc/87/39/93/431873993.db2.gz HQDNNKDBVVZPJO-RISCZKNCSA-N 0 1 312.797 3.374 20 5 DGBDMN C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C ZINC000122452382 431833946 /nfs/dbraw/zinc/83/39/46/431833946.db2.gz RBJXYNHUSOMHDS-RYUDHWBXSA-N 0 1 316.361 3.123 20 5 DGBDMN C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883462 431883974 /nfs/dbraw/zinc/88/39/74/431883974.db2.gz RKXLVANFCNNCSG-GFCCVEGCSA-N 0 1 301.346 3.482 20 5 DGBDMN CC1(C)[C@@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000089905696 431884434 /nfs/dbraw/zinc/88/44/34/431884434.db2.gz PHYAZWUUVIWKNK-GASCZTMLSA-N 0 1 313.357 3.338 20 5 DGBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCC1 ZINC000089897491 431885046 /nfs/dbraw/zinc/88/50/46/431885046.db2.gz FNILFQWAKWEFEA-UHFFFAOYSA-N 0 1 301.346 3.482 20 5 DGBDMN CN(CCC1CC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089926953 431885858 /nfs/dbraw/zinc/88/58/58/431885858.db2.gz UWTRTGKIOYPWOZ-UHFFFAOYSA-N 0 1 301.346 3.482 20 5 DGBDMN Cc1ccc([C@@H](C)N[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000102888247 432000268 /nfs/dbraw/zinc/00/02/68/432000268.db2.gz SIRQHNSIHXJLHX-CZUORRHYSA-N 0 1 300.358 3.287 20 5 DGBDMN C[C@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1nnc[nH]1 ZINC000128798320 432000731 /nfs/dbraw/zinc/00/07/31/432000731.db2.gz BKTKHCFTMFGLRJ-YFKPBYRVSA-N 0 1 302.121 3.193 20 5 DGBDMN Cc1ccc([C@@H]2C[C@H](C)CCN2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174881958 432376086 /nfs/dbraw/zinc/37/60/86/432376086.db2.gz DDHWJIXXUJFYLQ-DOMZBBRYSA-N 0 1 318.377 3.166 20 5 DGBDMN CCc1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)cc1[N+](=O)[O-] ZINC000271241052 432361722 /nfs/dbraw/zinc/36/17/22/432361722.db2.gz DYCSWZDYAJWSBN-UHFFFAOYSA-N 0 1 324.287 3.379 20 5 DGBDMN O=[N+]([O-])c1cccc(CN(CCO[C@@H]2CCCCO2)C2CC2)c1 ZINC000193068262 432446127 /nfs/dbraw/zinc/44/61/27/432446127.db2.gz VNODUYFMSDAGMV-QGZVFWFLSA-N 0 1 320.389 3.102 20 5 DGBDMN O=[N+]([O-])c1ccc(CN(CCO[C@H]2CCCCO2)C2CC2)cc1 ZINC000193080435 432447389 /nfs/dbraw/zinc/44/73/89/432447389.db2.gz CRCAUJLTJBSKJW-KRWDZBQOSA-N 0 1 320.389 3.102 20 5 DGBDMN Cc1cc(N[C@H]2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272890581 432537241 /nfs/dbraw/zinc/53/72/41/432537241.db2.gz XUPBDDDBPKZAAE-NEPJUHHUSA-N 0 1 301.346 3.431 20 5 DGBDMN COc1cccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000177297657 432609044 /nfs/dbraw/zinc/60/90/44/432609044.db2.gz AUBLHOCGPXHECC-LBPRGKRZSA-N 0 1 316.357 3.463 20 5 DGBDMN Cc1[nH]nc(C(=O)N(CCC(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000264175207 432623554 /nfs/dbraw/zinc/62/35/54/432623554.db2.gz KNRXCSYMUQQGNQ-UHFFFAOYSA-N 0 1 308.382 3.057 20 5 DGBDMN Cc1cc(N2CCC(C)(CO)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000273853830 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/nfs/dbraw/zinc/51/05/90/431510590.db2.gz RWGAEGKAWRASTI-UHFFFAOYSA-N 0 1 318.295 3.248 20 5 DGBDMN CCOc1cc(CNCc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000077220979 431575131 /nfs/dbraw/zinc/57/51/31/431575131.db2.gz DERBATFBLZDHPT-UHFFFAOYSA-N 0 1 316.357 3.292 20 5 DGBDMN CN(CCC(=O)Nc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349238 431672594 /nfs/dbraw/zinc/67/25/94/431672594.db2.gz IFOXGRFWWBLHEL-UHFFFAOYSA-N 0 1 313.357 3.055 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](CC(C)C)C1 ZINC000080748724 431775044 /nfs/dbraw/zinc/77/50/44/431775044.db2.gz MKHNTJNYISLDKU-CQSZACIVSA-N 0 1 319.405 3.210 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000048244267 431921632 /nfs/dbraw/zinc/92/16/32/431921632.db2.gz RULJHMTXZNSIHG-UHFFFAOYSA-N 0 1 314.276 3.171 20 5 DGBDMN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123763587 431874296 /nfs/dbraw/zinc/87/42/96/431874296.db2.gz HQVSWFSBXUTKHH-FZMZJTMJSA-N 0 1 312.797 3.374 20 5 DGBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCSC1 ZINC000089935686 431886179 /nfs/dbraw/zinc/88/61/79/431886179.db2.gz SLEPKBJYJNSHLT-CQSZACIVSA-N 0 1 319.386 3.187 20 5 DGBDMN CC(C)CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000046512270 431898015 /nfs/dbraw/zinc/89/80/15/431898015.db2.gz XLZWAFRZHGTXNY-UHFFFAOYSA-N 0 1 316.361 3.265 20 5 DGBDMN CCn1c2ccccc2nc1-c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000048879687 431933975 /nfs/dbraw/zinc/93/39/75/431933975.db2.gz NJYLPNLIONCDNS-UHFFFAOYSA-N 0 1 313.313 3.346 20 5 DGBDMN CC[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051124674 431950064 /nfs/dbraw/zinc/95/00/64/431950064.db2.gz YBSSASZVQUPOQZ-ZDUSSCGKSA-N 0 1 316.361 3.409 20 5 DGBDMN C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000057281625 431991190 /nfs/dbraw/zinc/99/11/90/431991190.db2.gz RHVKZYJAAVBLDU-SECBINFHSA-N 0 1 320.732 3.445 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1CO ZINC000151792228 432276745 /nfs/dbraw/zinc/27/67/45/432276745.db2.gz ZIGAAQDBXGPXDX-CYBMUJFWSA-N 0 1 300.358 3.246 20 5 DGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000152091314 432303366 /nfs/dbraw/zinc/30/33/66/432303366.db2.gz BURNIQYDWMDPSP-GFCCVEGCSA-N 0 1 322.409 3.169 20 5 DGBDMN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000192486465 432380604 /nfs/dbraw/zinc/38/06/04/432380604.db2.gz JWHPETSYUBTYNA-DGCLKSJQSA-N 0 1 318.402 3.126 20 5 DGBDMN Cc1c([C@H](C)N[C@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000271411383 432391713 /nfs/dbraw/zinc/39/17/13/432391713.db2.gz ABNHKYAGQNWHIG-BLLLJJGKSA-N 0 1 318.348 3.427 20 5 DGBDMN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184442280 432392393 /nfs/dbraw/zinc/39/23/93/432392393.db2.gz ULFIHRZVVMGDIP-UONOGXRCSA-N 0 1 321.402 3.134 20 5 DGBDMN O=[N+]([O-])c1cccc(CN(CCOCC(F)(F)F)C2CC2)c1 ZINC000153247769 432394904 /nfs/dbraw/zinc/39/49/04/432394904.db2.gz ISHSVMDYWZKWLK-UHFFFAOYSA-N 0 1 318.295 3.138 20 5 DGBDMN CCOc1ccc([C@@H](C)NCc2cnn(CC)c2)cc1[N+](=O)[O-] ZINC000271440690 432396262 /nfs/dbraw/zinc/39/62/62/432396262.db2.gz DDXHEKDNELCMDN-GFCCVEGCSA-N 0 1 318.377 3.061 20 5 DGBDMN O=[N+]([O-])c1ccc(CN(CCO[C@@H]2CCCCO2)C2CC2)cc1 ZINC000193080420 432446758 /nfs/dbraw/zinc/44/67/58/432446758.db2.gz CRCAUJLTJBSKJW-QGZVFWFLSA-N 0 1 320.389 3.102 20 5 DGBDMN NC1(c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)CCCC1 ZINC000261889533 432458029 /nfs/dbraw/zinc/45/80/29/432458029.db2.gz XGWGOBWVVAIVKA-GQCTYLIASA-N 0 1 318.308 3.015 20 5 DGBDMN CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271495400 432408529 /nfs/dbraw/zinc/40/85/29/432408529.db2.gz LBVZDKSKRNOZFD-CABCVRRESA-N 0 1 300.362 3.436 20 5 DGBDMN CCc1nc([C@H](C)NCCOc2cccc([N+](=O)[O-])c2)cs1 ZINC000184726626 432425965 /nfs/dbraw/zinc/42/59/65/432425965.db2.gz BFDZQFZSPUXRON-NSHDSACASA-N 0 1 321.402 3.343 20 5 DGBDMN COc1cccc2c1CCN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000193722003 432493482 /nfs/dbraw/zinc/49/34/82/432493482.db2.gz IWDASMQGLGCVKM-UHFFFAOYSA-N 0 1 318.398 3.266 20 5 DGBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000176213025 432501506 /nfs/dbraw/zinc/50/15/06/432501506.db2.gz SFTSJKIQPRIUSQ-CQSZACIVSA-N 0 1 320.780 3.282 20 5 DGBDMN C[C@H]1C[C@H](c2ccccc2F)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176270125 432506142 /nfs/dbraw/zinc/50/61/42/432506142.db2.gz VBINIWFCHKRQBF-SWLSCSKDSA-N 0 1 318.352 3.014 20 5 DGBDMN Cc1ccc([C@@H]2C[C@H](C)CCN2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286458 432507869 /nfs/dbraw/zinc/50/78/69/432507869.db2.gz QJZPFBJZPYNYED-OCCSQVGLSA-N 0 1 318.377 3.166 20 5 DGBDMN CCN(CCc1cccs1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272494212 432512057 /nfs/dbraw/zinc/51/20/57/432512057.db2.gz CQHVJZNGFXHBOV-UHFFFAOYSA-N 0 1 320.370 3.067 20 5 DGBDMN Cc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000263667798 432563993 /nfs/dbraw/zinc/56/39/93/432563993.db2.gz FRQUNNLETLKBSA-AWEZNQCLSA-N 0 1 316.361 3.140 20 5 DGBDMN Cc1cc(N[C@H]2CC[C@H](O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272874766 432536292 /nfs/dbraw/zinc/53/62/92/432536292.db2.gz UFKQQAJWEUWVJN-AULYBMBSSA-N 0 1 301.346 3.167 20 5 DGBDMN Cc1cc(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)[nH]n1 ZINC000273348793 432588863 /nfs/dbraw/zinc/58/88/63/432588863.db2.gz BTMXUIOBWPXSKU-UHFFFAOYSA-N 0 1 304.325 3.149 20 5 DGBDMN C[C@H]1CCCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000195666807 432632515 /nfs/dbraw/zinc/63/25/15/432632515.db2.gz JOLGWDOVSDCYQI-WDEREUQCSA-N 0 1 316.361 3.027 20 5 DGBDMN C[C@@H]1CCCC[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000195666809 432633443 /nfs/dbraw/zinc/63/34/43/432633443.db2.gz JOLGWDOVSDCYQI-MNOVXSKESA-N 0 1 316.361 3.027 20 5 DGBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000178098834 432695024 /nfs/dbraw/zinc/69/50/24/432695024.db2.gz OHGYMXCCIYNLHH-QWHCGFSZSA-N 0 1 319.405 3.001 20 5 DGBDMN CCc1nc(NC(=O)c2cc3ccccc3c3cccnc23)n[nH]1 ZINC000177960507 432679145 /nfs/dbraw/zinc/67/91/45/432679145.db2.gz WVGMWQGFGNBHBA-UHFFFAOYSA-N 0 1 317.352 3.321 20 5 DGBDMN CCc1n[nH]c(NC(=O)c2cc3ccccc3c3cccnc23)n1 ZINC000177960507 432679147 /nfs/dbraw/zinc/67/91/47/432679147.db2.gz WVGMWQGFGNBHBA-UHFFFAOYSA-N 0 1 317.352 3.321 20 5 DGBDMN CCC1(CC)CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000276169493 432778747 /nfs/dbraw/zinc/77/87/47/432778747.db2.gz FUCDONVZGKQCMY-UHFFFAOYSA-N 0 1 308.382 3.059 20 5 DGBDMN O=[N+]([O-])c1cnc(NC2CCN(Cc3ccccc3)CC2)s1 ZINC000189680878 432809966 /nfs/dbraw/zinc/80/99/66/432809966.db2.gz INFCABXHJLFCSN-UHFFFAOYSA-N 0 1 318.402 3.128 20 5 DGBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000268268898 432860039 /nfs/dbraw/zinc/86/00/39/432860039.db2.gz MNVJLUNIBFLBFD-ZBFHGGJFSA-N 0 1 316.357 3.276 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](C3CC3)C2)c2c(c1)COCO2 ZINC000289163369 432928526 /nfs/dbraw/zinc/92/85/26/432928526.db2.gz DTBPYDODMHMQTD-CYBMUJFWSA-N 0 1 318.373 3.083 20 5 DGBDMN CCOc1cc(CN2CCS[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331170457 432933392 /nfs/dbraw/zinc/93/33/92/432933392.db2.gz NZFHRXJYHSBVAY-VXGBXAGGSA-N 0 1 310.419 3.319 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N(C)CCC2CCCCC2)c1[N+](=O)[O-] ZINC000331218712 432935681 /nfs/dbraw/zinc/93/56/81/432935681.db2.gz SELOZLZUMZQDGE-UHFFFAOYSA-N 0 1 322.409 3.484 20 5 DGBDMN COCCCN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289759707 432975550 /nfs/dbraw/zinc/97/55/50/432975550.db2.gz JNZQOKPFUDQLKW-UHFFFAOYSA-N 0 1 307.177 3.370 20 5 DGBDMN CCCN(CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290063700 432986620 /nfs/dbraw/zinc/98/66/20/432986620.db2.gz STYCJNVHJIDZJM-UHFFFAOYSA-N 0 1 307.177 3.106 20 5 DGBDMN Cc1ccc([C@H](C)N[C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000280014673 432998972 /nfs/dbraw/zinc/99/89/72/432998972.db2.gz GWWXUKXQTISNPI-WFASDCNBSA-N 0 1 314.389 3.365 20 5 DGBDMN O=[N+]([O-])c1cnc2c(c1)CN(CCCCC(F)(F)F)CC2 ZINC000332678555 433011642 /nfs/dbraw/zinc/01/16/42/433011642.db2.gz HEQAVDOMFGXFCG-UHFFFAOYSA-N 0 1 303.284 3.081 20 5 DGBDMN CCOc1cc(CN2CCC(C)(OCC)CC2)ccc1[N+](=O)[O-] ZINC000298226289 433061504 /nfs/dbraw/zinc/06/15/04/433061504.db2.gz GUFITQNKWPWJEY-UHFFFAOYSA-N 0 1 322.405 3.385 20 5 DGBDMN Cc1cc(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000453293154 433069510 /nfs/dbraw/zinc/06/95/10/433069510.db2.gz PMQRDCDKXAQOOB-VXGBXAGGSA-N 0 1 316.361 3.326 20 5 DGBDMN COC[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1F ZINC000350289514 433124388 /nfs/dbraw/zinc/12/43/88/433124388.db2.gz QURVANOBOCXRBD-HNNXBMFYSA-N 0 1 318.348 3.081 20 5 DGBDMN C[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298665231 433209026 /nfs/dbraw/zinc/20/90/26/433209026.db2.gz LRRWCNIWPXTDAK-LLVKDONJSA-N 0 1 302.334 3.019 20 5 DGBDMN CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H](C)OC ZINC000361565247 433247861 /nfs/dbraw/zinc/24/78/61/433247861.db2.gz OQMHISUJWNSMDR-CYBMUJFWSA-N 0 1 310.394 3.239 20 5 DGBDMN CO[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000374650616 433248936 /nfs/dbraw/zinc/24/89/36/433248936.db2.gz XUIFSWXDEUDORU-AWEZNQCLSA-N 0 1 315.373 3.457 20 5 DGBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H](CCO)CC1 ZINC000421011834 433384730 /nfs/dbraw/zinc/38/47/30/433384730.db2.gz HNBWKRSPRLDEJJ-LBPRGKRZSA-N 0 1 312.797 3.233 20 5 DGBDMN C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1C ZINC000355106409 433462372 /nfs/dbraw/zinc/46/23/72/433462372.db2.gz MZYTXFBQBBZEEP-UWVGGRQHSA-N 0 1 300.305 3.427 20 5 DGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)(C)CC1 ZINC000339255487 433472327 /nfs/dbraw/zinc/47/23/27/433472327.db2.gz ANZBZSFDJUZGIG-LBPRGKRZSA-N 0 1 305.378 3.044 20 5 DGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C)(C)CC1 ZINC000339255443 433474296 /nfs/dbraw/zinc/47/42/96/433474296.db2.gz UKFVJJGYWSVBFT-GFCCVEGCSA-N 0 1 305.378 3.044 20 5 DGBDMN COC1(C)CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000342173215 433515376 /nfs/dbraw/zinc/51/53/76/433515376.db2.gz FPCYJFIPMFSGRN-UHFFFAOYSA-N 0 1 322.405 3.383 20 5 DGBDMN COc1cc(CN2CCCC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000355206402 433538676 /nfs/dbraw/zinc/53/86/76/433538676.db2.gz WBIGYOFPPIFJGU-UHFFFAOYSA-N 0 1 320.389 3.378 20 5 DGBDMN O=C([O-])c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000426687012 433560762 /nfs/dbraw/zinc/56/07/62/433560762.db2.gz PBFLJEAZQNYMEK-UHFFFAOYSA-N 0 1 320.732 3.236 20 5 DGBDMN O=[N+]([O-])c1ccc(CNc2nccn2Cc2ccccc2)cc1 ZINC000351549928 433567651 /nfs/dbraw/zinc/56/76/51/433567651.db2.gz GNSGYXIVHFRHPF-UHFFFAOYSA-N 0 1 308.341 3.452 20 5 DGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H](O)Cc1ccccc1 ZINC000293145309 433633996 /nfs/dbraw/zinc/63/39/96/433633996.db2.gz BHQSRYRIEMKNLK-HOCLYGCPSA-N 0 1 314.385 3.191 20 5 DGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCO[C@H](CF)C1 ZINC000414478884 433642695 /nfs/dbraw/zinc/64/26/95/433642695.db2.gz QEIDZXQWVOFHAB-WDBUWWRISA-N 0 1 308.353 3.059 20 5 DGBDMN CCOCC(C)(C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293173879 433643537 /nfs/dbraw/zinc/64/35/37/433643537.db2.gz GSEBLNPRJWUEHO-UHFFFAOYSA-N 0 1 319.361 3.155 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000282534896 433613044 /nfs/dbraw/zinc/61/30/44/433613044.db2.gz QYALAVDYPFLHRD-NSHDSACASA-N 0 1 322.409 3.482 20 5 DGBDMN CC(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356588904 433617414 /nfs/dbraw/zinc/61/74/14/433617414.db2.gz GVAQKYMQJZMQEI-MRXNPFEDSA-N 0 1 314.341 3.428 20 5 DGBDMN O=C(Nc1nc2ccsc2s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356599909 433619656 /nfs/dbraw/zinc/61/96/56/433619656.db2.gz QYJBLJJJUGCMBC-UHFFFAOYSA-N 0 1 321.339 3.224 20 5 DGBDMN Cc1cccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C ZINC000356598257 433621613 /nfs/dbraw/zinc/62/16/13/433621613.db2.gz PIACONKELNOBBW-GFCCVEGCSA-N 0 1 314.341 3.408 20 5 DGBDMN CC[C@@H](NCc1cnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000367439589 293072730 /nfs/dbraw/zinc/07/27/30/293072730.db2.gz VTAOWFGPOZPPTQ-MRXNPFEDSA-N 0 1 314.389 3.369 20 5 DGBDMN Cc1n[nH]cc1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368500472 293128379 /nfs/dbraw/zinc/12/83/79/293128379.db2.gz XDUDXXUNAJXBMF-UHFFFAOYSA-N 0 1 300.362 3.006 20 5 DGBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](c2ccccc2)CC1 ZINC000374048508 293346960 /nfs/dbraw/zinc/34/69/60/293346960.db2.gz HIZRFWOSXLFNNH-HNNXBMFYSA-N 0 1 314.389 3.098 20 5 DGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC2CC2)C1 ZINC000339683112 433729807 /nfs/dbraw/zinc/72/98/07/433729807.db2.gz MKGQNTDABCFHQK-TZMCWYRMSA-N 0 1 317.389 3.044 20 5 DGBDMN CSc1cccc(-c2nc([C@H](N)CC(C)C)no2)c1[N+](=O)[O-] ZINC000414622748 433753772 /nfs/dbraw/zinc/75/37/72/433753772.db2.gz SQUCOXRPQKBLBR-SNVBAGLBSA-N 0 1 322.390 3.413 20 5 DGBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C2(N)CCC2)no1 ZINC000414648170 433770327 /nfs/dbraw/zinc/77/03/27/433770327.db2.gz RSRCYFYDLHEZLE-GFCCVEGCSA-N 0 1 316.361 3.052 20 5 DGBDMN CN(C)Cc1ccc(CNc2ccccc2[N+](=O)[O-])cc1F ZINC000301898495 433782680 /nfs/dbraw/zinc/78/26/80/433782680.db2.gz WWYICYNWBRNOJM-UHFFFAOYSA-N 0 1 303.337 3.408 20 5 DGBDMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434355793 433861444 /nfs/dbraw/zinc/86/14/44/433861444.db2.gz QIZJMIIGIFJPJR-RYUDHWBXSA-N 0 1 322.409 3.482 20 5 DGBDMN CCOCCN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293879097 433906091 /nfs/dbraw/zinc/90/60/91/433906091.db2.gz TXLHUMCXSHDKAU-UHFFFAOYSA-N 0 1 306.284 3.082 20 5 DGBDMN CC[C@@H](C)c1nc([C@@H](C)NCc2csc([N+](=O)[O-])c2)n[nH]1 ZINC000362921887 433911451 /nfs/dbraw/zinc/91/14/51/433911451.db2.gz AFGLEVRAQQDSHA-RKDXNWHRSA-N 0 1 309.395 3.139 20 5 DGBDMN CC(C)(C)C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000457008773 433930601 /nfs/dbraw/zinc/93/06/01/433930601.db2.gz GIDBBWIXBJACQT-LLVKDONJSA-N 0 1 306.362 3.199 20 5 DGBDMN COc1ccc(CN2CCC=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000285452533 433953143 /nfs/dbraw/zinc/95/31/43/433953143.db2.gz YQUQDBGZKAMUON-UHFFFAOYSA-N 0 1 314.341 3.486 20 5 DGBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC4(C3)CCOC4)o2)cc1 ZINC000294071341 433982915 /nfs/dbraw/zinc/98/29/15/433982915.db2.gz QOHVTQLCTISGSN-UHFFFAOYSA-N 0 1 314.341 3.077 20 5 DGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCCCC1 ZINC000294166333 434023713 /nfs/dbraw/zinc/02/37/13/434023713.db2.gz BYBARDLHAGODOI-UHFFFAOYSA-N 0 1 314.345 3.001 20 5 DGBDMN CO[C@H](Cc1ccccc1)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000450225826 434039804 /nfs/dbraw/zinc/03/98/04/434039804.db2.gz HMYNUMPIOIZRGC-QGZVFWFLSA-N 0 1 314.385 3.284 20 5 DGBDMN CCCN(CCC)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294285052 434070296 /nfs/dbraw/zinc/07/02/96/434070296.db2.gz UNXJJZJRLDXXIH-UHFFFAOYSA-N 0 1 316.361 3.247 20 5 DGBDMN Cn1ccnc1[C@@H](NCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353404680 434113008 /nfs/dbraw/zinc/11/30/08/434113008.db2.gz MXEOPMRKMLBXHT-INIZCTEOSA-N 0 1 314.389 3.198 20 5 DGBDMN CN(Cc1cccc(-n2cccn2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507133422 294283714 /nfs/dbraw/zinc/28/37/14/294283714.db2.gz YHFVXOUTUAAKIH-UHFFFAOYSA-N 0 1 322.368 3.413 20 5 DGBDMN CC[C@@H](C)n1ncc(Nc2ncc([N+](=O)[O-])c(C)n2)c1C1CC1 ZINC000450403043 434155750 /nfs/dbraw/zinc/15/57/50/434155750.db2.gz ATJQSCQQSULTFJ-SECBINFHSA-N 0 1 316.365 3.482 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000358062752 434311112 /nfs/dbraw/zinc/31/11/12/434311112.db2.gz NTSZPXQTWYGFPM-SNVBAGLBSA-N 0 1 308.382 3.092 20 5 DGBDMN C[C@@H]1CC[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353681727 434329924 /nfs/dbraw/zinc/32/99/24/434329924.db2.gz BJDOJWMKXJEVBE-XPKDYRNWSA-N 0 1 314.389 3.196 20 5 DGBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H]1CCC[C@@H]1OC(F)F ZINC000348520023 434368408 /nfs/dbraw/zinc/36/84/08/434368408.db2.gz HLAKQQMEYKFKAY-PWSUYJOCSA-N 0 1 320.723 3.498 20 5 DGBDMN CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000359842363 434443979 /nfs/dbraw/zinc/44/39/79/434443979.db2.gz PYOMJOVZYVVXFL-UHFFFAOYSA-N 0 1 317.311 3.064 20 5 DGBDMN Cc1cc(N[C@H]2CS[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000397818389 434445703 /nfs/dbraw/zinc/44/57/03/434445703.db2.gz SMMPWKQOLYOQKQ-GHMZBOCLSA-N 0 1 303.387 3.179 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000296037370 434486197 /nfs/dbraw/zinc/48/61/97/434486197.db2.gz MUWOYRWCLZYBQI-HIFRSBDPSA-N 0 1 306.406 3.447 20 5 DGBDMN Cc1nc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2[nH]1 ZINC000439026965 434560451 /nfs/dbraw/zinc/56/04/51/434560451.db2.gz MTPHKFHSDADKRH-UHFFFAOYSA-N 0 1 324.340 3.269 20 5 DGBDMN O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(F)c1 ZINC000348953140 434565025 /nfs/dbraw/zinc/56/50/25/434565025.db2.gz XVXIEZZMETWLQI-MRXNPFEDSA-N 0 1 308.353 3.125 20 5 DGBDMN CC[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000424140454 434632879 /nfs/dbraw/zinc/63/28/79/434632879.db2.gz OGZBYKJWVWWPIA-CABCVRRESA-N 0 1 319.405 3.035 20 5 DGBDMN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000459752851 434700233 /nfs/dbraw/zinc/70/02/33/434700233.db2.gz LKNOYMMJNHICPJ-FUHWJXTLSA-N 0 1 318.417 3.276 20 5 DGBDMN CC1(C)CCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000360856297 434712940 /nfs/dbraw/zinc/71/29/40/434712940.db2.gz YJHSZLNSNVWPFN-SNVBAGLBSA-N 0 1 316.361 3.027 20 5 DGBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC(C)(C)C[C@H]1C ZINC000412050173 434862804 /nfs/dbraw/zinc/86/28/04/434862804.db2.gz XQWNREFHQJVKJV-NEPJUHHUSA-N 0 1 305.378 3.042 20 5 DGBDMN COc1ccc(CN2CCSC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC000411871253 434838333 /nfs/dbraw/zinc/83/83/33/434838333.db2.gz QOYITUXEPNIXPJ-UHFFFAOYSA-N 0 1 322.430 3.465 20 5 DGBDMN CO[C@](C)([C@H](C)NCc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000411968921 434849637 /nfs/dbraw/zinc/84/96/37/434849637.db2.gz KPSLKCVIEYCEMW-BJOHPYRUSA-N 0 1 314.332 3.166 20 5 DGBDMN Cc1nc2c(n1CCOc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000521529453 434886584 /nfs/dbraw/zinc/88/65/84/434886584.db2.gz HUJZZCGVPBTXHE-UHFFFAOYSA-N 0 1 301.346 3.058 20 5 DGBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000492299381 434955660 /nfs/dbraw/zinc/95/56/60/434955660.db2.gz ZUZPGOHTXPLAGP-VXGBXAGGSA-N 0 1 310.781 3.107 20 5 DGBDMN CCOc1cc(CN2CCC(OC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000555581536 434979124 /nfs/dbraw/zinc/97/91/24/434979124.db2.gz MLURPVOMFUOOLO-UHFFFAOYSA-N 0 1 322.405 3.383 20 5 DGBDMN CC(C)C[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000466663951 435087067 /nfs/dbraw/zinc/08/70/67/435087067.db2.gz IWLJGNFWFMCEHO-CQSZACIVSA-N 0 1 319.405 3.434 20 5 DGBDMN CC(C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467169885 435110174 /nfs/dbraw/zinc/11/01/74/435110174.db2.gz FCKSHGRTVFPNAB-KGLIPLIRSA-N 0 1 319.405 3.290 20 5 DGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579067442 435128930 /nfs/dbraw/zinc/12/89/30/435128930.db2.gz LTQVWDMHFZZSHM-SSDOTTSWSA-N 0 1 324.287 3.306 20 5 DGBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000579468839 435155723 /nfs/dbraw/zinc/15/57/23/435155723.db2.gz NGJXZFISAHHYES-NHYWBVRUSA-N 0 1 300.362 3.236 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000571674820 435726952 /nfs/dbraw/zinc/72/69/52/435726952.db2.gz DDIPKHYBWKTJLZ-KBPBESRZSA-N 0 1 317.389 3.106 20 5 DGBDMN Cc1cccc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000520845864 435776188 /nfs/dbraw/zinc/77/61/88/435776188.db2.gz BKOAOHSBSNBAHW-UHFFFAOYSA-N 0 1 300.358 3.414 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000541325967 314007896 /nfs/dbraw/zinc/00/78/96/314007896.db2.gz SNOQHHSGHRLSIT-GFCCVEGCSA-N 0 1 319.405 3.210 20 5 DGBDMN Cc1cc(N[C@H](C)C[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542102175 314056191 /nfs/dbraw/zinc/05/61/91/314056191.db2.gz IVYXNJLPEFZNIS-BXUZGUMPSA-N 0 1 315.373 3.243 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000542320529 314070288 /nfs/dbraw/zinc/07/02/88/314070288.db2.gz SVQJEBBQNCGAFN-CYBMUJFWSA-N 0 1 319.405 3.210 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000543181502 314118435 /nfs/dbraw/zinc/11/84/35/314118435.db2.gz HQFDXMNBWAPONJ-GFCCVEGCSA-N 0 1 319.405 3.210 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000543181502 314118438 /nfs/dbraw/zinc/11/84/38/314118438.db2.gz HQFDXMNBWAPONJ-GFCCVEGCSA-N 0 1 319.405 3.210 20 5 DGBDMN O=[N+]([O-])c1ccc(CNCc2ccc3nc[nH]c3c2)c(Cl)c1 ZINC000545928560 314276304 /nfs/dbraw/zinc/27/63/04/314276304.db2.gz QUPZXSQOQUJKLA-UHFFFAOYSA-N 0 1 316.748 3.414 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cnc2n1CCCC2 ZINC000551566135 314566885 /nfs/dbraw/zinc/56/68/85/314566885.db2.gz YXOIIHJGHYZSAX-CYBMUJFWSA-N 0 1 314.389 3.287 20 5 DGBDMN Cc1nc2c(n1Cc1c(F)cc([N+](=O)[O-])cc1F)CCCC2 ZINC000567063237 315394578 /nfs/dbraw/zinc/39/45/78/315394578.db2.gz SIZBGEFGLXBUFO-UHFFFAOYSA-N 0 1 307.300 3.305 20 5 DGBDMN Cc1ccccc1[C@H](CO)NCc1cccc([N+](=O)[O-])c1C ZINC000541055343 323688642 /nfs/dbraw/zinc/68/86/42/323688642.db2.gz XMMAJXACJFNNLU-INIZCTEOSA-N 0 1 300.358 3.035 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1C ZINC000055547471 500979490 /nfs/dbraw/zinc/97/94/90/500979490.db2.gz ATCYOQDNMZYZDK-UHFFFAOYSA-N 0 1 324.333 3.152 20 5 DGBDMN Cc1c(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000315051612 533844611 /nfs/dbraw/zinc/84/46/11/533844611.db2.gz MHBHJMHRXJNHKR-AWEZNQCLSA-N 0 1 306.362 3.123 20 5 DGBDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000443317497 533860243 /nfs/dbraw/zinc/86/02/43/533860243.db2.gz XWGDPZBFLPLRTN-UEKVPHQBSA-N 0 1 312.797 3.230 20 5 DGBDMN COc1cc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000302213278 533910166 /nfs/dbraw/zinc/91/01/66/533910166.db2.gz ZFPAGURKRMXCGC-UHFFFAOYSA-N 0 1 324.340 3.467 20 5 DGBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)C[C@H](C)C1 ZINC000443640277 534298657 /nfs/dbraw/zinc/29/86/57/534298657.db2.gz IROBVKULBDRDBT-HZSPNIEDSA-N 0 1 319.405 3.290 20 5 DGBDMN O=[N+]([O-])c1ccccc1CN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000292367100 534887163 /nfs/dbraw/zinc/88/71/63/534887163.db2.gz YZBQUVIKDPKHAM-OAHLLOKOSA-N 0 1 315.377 3.124 20 5 DGBDMN Cc1noc([C@@H]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000266520892 526653219 /nfs/dbraw/zinc/65/32/19/526653219.db2.gz IJAWPLVVCBZXKY-DGCLKSJQSA-N 0 1 316.361 3.227 20 5 DGBDMN CC(C)(C)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444685896 526733770 /nfs/dbraw/zinc/73/37/70/526733770.db2.gz QGSIWPUCAGVCPL-NSHDSACASA-N 0 1 302.378 3.339 20 5 DGBDMN CC(C)(C)c1nc(CSCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000430966794 526849640 /nfs/dbraw/zinc/84/96/40/526849640.db2.gz PVTBOWXBOLRACR-UHFFFAOYSA-N 0 1 306.391 3.444 20 5 DGBDMN CC(C)[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444688002 527777850 /nfs/dbraw/zinc/77/78/50/527777850.db2.gz IFFBPRBEDKBTFP-LBPRGKRZSA-N 0 1 302.378 3.339 20 5 DGBDMN CC(C)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645028 528388000 /nfs/dbraw/zinc/38/80/00/528388000.db2.gz WOJWLGXMSWIMPA-LBPRGKRZSA-N 0 1 302.378 3.339 20 5 DGBDMN CCC1(CC)CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444649020 529057155 /nfs/dbraw/zinc/05/71/55/529057155.db2.gz KLXASQPFRNETMO-UHFFFAOYSA-N 0 1 302.378 3.483 20 5 DGBDMN CC[C@H]1CCCCN1C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296773912 529198550 /nfs/dbraw/zinc/19/85/50/529198550.db2.gz RNODTFKXSIRSRS-ZFWWWQNUSA-N 0 1 319.405 3.037 20 5 DGBDMN CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000330783619 529217904 /nfs/dbraw/zinc/21/79/04/529217904.db2.gz ILOIKOXPQIDPRE-OLZOCXBDSA-N 0 1 305.378 3.044 20 5 DGBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000268812544 546351108 /nfs/dbraw/zinc/35/11/08/546351108.db2.gz BELFHKMLGRJOSD-AMXDTQDGSA-N 0 1 318.398 3.183 20 5 DGBDMN COc1ccc(CN[C@H](c2ccccn2)C(C)C)cc1[N+](=O)[O-] ZINC000736647063 574761997 /nfs/dbraw/zinc/76/19/97/574761997.db2.gz DHCYFQFJYSZLLW-KRWDZBQOSA-N 0 1 315.373 3.485 20 5 DGBDMN Cc1c(COC(=O)[C@H](C(C)C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000741013100 574948235 /nfs/dbraw/zinc/94/82/35/574948235.db2.gz CQGCAESNKOAKPW-INIZCTEOSA-N 0 1 320.389 3.067 20 5 DGBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000743940497 575068155 /nfs/dbraw/zinc/06/81/55/575068155.db2.gz HVKLIHWIEFULMN-UHFFFAOYSA-N 0 1 316.704 3.377 20 5 DGBDMN O=[N+]([O-])c1cc(F)ccc1NCc1n[nH]c(-c2ccccc2)n1 ZINC000728911190 575193542 /nfs/dbraw/zinc/19/35/42/575193542.db2.gz WIYAGIVFOMDRLP-UHFFFAOYSA-N 0 1 313.292 3.131 20 5 DGBDMN O=[N+]([O-])c1cc(F)ccc1NCc1nc(-c2ccccc2)n[nH]1 ZINC000728911190 575193543 /nfs/dbraw/zinc/19/35/43/575193543.db2.gz WIYAGIVFOMDRLP-UHFFFAOYSA-N 0 1 313.292 3.131 20 5 DGBDMN O=C(OC[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000729218078 575225940 /nfs/dbraw/zinc/22/59/40/575225940.db2.gz KSQKCGSZFLFBMU-GFCCVEGCSA-N 0 1 300.314 3.200 20 5 DGBDMN Cc1ccccc1[C@@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000747100804 575496118 /nfs/dbraw/zinc/49/61/18/575496118.db2.gz VIJAWXOEOFASAI-MRXNPFEDSA-N 0 1 300.358 3.035 20 5 DGBDMN O=C(O[C@H]1CCCc2cc(F)ccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000747177909 575503920 /nfs/dbraw/zinc/50/39/20/575503920.db2.gz AOZYZPNMBJEZHK-ZDUSSCGKSA-N 0 1 304.277 3.296 20 5 DGBDMN CC[C@@](C)(CC(=O)OC)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000748247241 575574980 /nfs/dbraw/zinc/57/49/80/575574980.db2.gz SCIZBOPXYIRZNK-AWEZNQCLSA-N 0 1 314.769 3.070 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000749559004 575664987 /nfs/dbraw/zinc/66/49/87/575664987.db2.gz KPGHKJPTFATLHE-CHWSQXEVSA-N 0 1 324.808 3.497 20 5 DGBDMN CCO[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1(CC)CC ZINC000749093589 576090292 /nfs/dbraw/zinc/09/02/92/576090292.db2.gz KIAUIXRUHHCTSU-VXGBXAGGSA-N 0 1 310.350 3.064 20 5 DGBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811491883 617607837 /nfs/dbraw/zinc/60/78/37/617607837.db2.gz RJBWYJSXYOMGSE-QWRGUYRKSA-N 0 1 319.188 3.151 20 5 DGBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000119520085 617946935 /nfs/dbraw/zinc/94/69/35/617946935.db2.gz KVXUKPYHXPFBSJ-UHFFFAOYSA-N 0 1 312.734 3.049 20 5 DGBDMN CCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000919962466 620774269 /nfs/dbraw/zinc/77/42/69/620774269.db2.gz BLQQAGWWEMSDPF-UHFFFAOYSA-N 0 1 317.311 3.146 20 5 DGBDMN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])cnc1F ZINC000894390833 618304022 /nfs/dbraw/zinc/30/40/22/618304022.db2.gz KWMKXLBVEWHVLK-UHFFFAOYSA-N 0 1 303.337 3.112 20 5 DGBDMN O=C(O[C@H](c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000920773679 620822342 /nfs/dbraw/zinc/82/23/42/620822342.db2.gz YSTBXFCXPIREGR-MRXNPFEDSA-N 0 1 323.308 3.264 20 5 DGBDMN Cc1[nH]nc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000893945945 618681674 /nfs/dbraw/zinc/68/16/74/618681674.db2.gz PAFITQANCQWRGR-UHFFFAOYSA-N 0 1 302.378 3.345 20 5 DGBDMN CC1(C)CO[C@@H](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000895802048 618833606 /nfs/dbraw/zinc/83/36/06/618833606.db2.gz FUCRSHUDTHEHQH-LBPRGKRZSA-N 0 1 319.361 3.031 20 5 DGBDMN C[C@@H](CNCc1c(F)ccc(O)c1F)c1ccccc1[N+](=O)[O-] ZINC000897463478 619130603 /nfs/dbraw/zinc/13/06/03/619130603.db2.gz GSYGFLUFARZCNZ-JTQLQIEISA-N 0 1 322.311 3.472 20 5 DGBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[C@@H](C2CC2)O1 ZINC000897510854 619142433 /nfs/dbraw/zinc/14/24/33/619142433.db2.gz BYGXCSCPUSOIKR-WBVHZDCISA-N 0 1 320.389 3.041 20 5 DGBDMN CC(C)[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000902514393 619647523 /nfs/dbraw/zinc/64/75/23/619647523.db2.gz CSRMCNJONHCZEF-UHFFFAOYSA-N 0 1 308.378 3.306 20 5 DGBDMN C[C@@H](NC1CC2(C1)CO[C@H](C)C2)c1c(F)cccc1[N+](=O)[O-] ZINC000903280564 619751652 /nfs/dbraw/zinc/75/16/52/619751652.db2.gz VKZDGDMTLNVRNX-YGNMJOSFSA-N 0 1 308.353 3.342 20 5 DGBDMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903335085 619759293 /nfs/dbraw/zinc/75/92/93/619759293.db2.gz KOTWOLUHTHFGKB-APPDUMDISA-N 0 1 312.373 3.374 20 5 DGBDMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903335088 619759421 /nfs/dbraw/zinc/75/94/21/619759421.db2.gz KOTWOLUHTHFGKB-PIGZYNQJSA-N 0 1 312.373 3.374 20 5 DGBDMN Cc1ccc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000903952978 619845483 /nfs/dbraw/zinc/84/54/83/619845483.db2.gz ZFMUWCCZZWGTED-VPWBDBDCSA-N 0 1 320.389 3.223 20 5 DGBDMN Cc1ccc(-c2noc(CN(C)CC(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000903981150 619849187 /nfs/dbraw/zinc/84/91/87/619849187.db2.gz GCRDDZUFRKUOAU-UHFFFAOYSA-N 0 1 318.377 3.431 20 5 DGBDMN CC(C)(CCc1noc([C@@H]2CC[C@@H]3CCCC[C@H]3N2)n1)[N+](=O)[O-] ZINC000904121377 619880687 /nfs/dbraw/zinc/88/06/87/619880687.db2.gz PDIGXYVMXJQKBF-XQQFMLRXSA-N 0 1 322.409 3.041 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC3(CCOC3)CC2)c1 ZINC000761060922 620506288 /nfs/dbraw/zinc/50/62/88/620506288.db2.gz YRHJQOSZQYRICV-UHFFFAOYSA-N 0 1 310.781 3.251 20 5 DGBDMN Cc1ccc(CNCc2cnn(CC3CCC3)c2)cc1[N+](=O)[O-] ZINC000922316385 621022822 /nfs/dbraw/zinc/02/28/22/621022822.db2.gz MZTAUEFZDCZHIX-UHFFFAOYSA-N 0 1 314.389 3.190 20 5 DGBDMN Cc1nn(CN2C[C@@H](c3ccccc3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000115512808 621116725 /nfs/dbraw/zinc/11/67/25/621116725.db2.gz BCUWTYPGKNETJA-LRDDRELGSA-N 0 1 314.389 3.244 20 5 DGBDMN CC(C)(CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000859781303 621321850 /nfs/dbraw/zinc/32/18/50/621321850.db2.gz CWPHSBVCIKTWBJ-UHFFFAOYSA-N 0 1 306.362 3.060 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000756902439 621671610 /nfs/dbraw/zinc/67/16/10/621671610.db2.gz SNRLBVPWDFRDHH-RISCZKNCSA-N 0 1 310.781 3.249 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000756903082 621672027 /nfs/dbraw/zinc/67/20/27/621672027.db2.gz ZIISGRHOSMQKKK-ABAIWWIYSA-N 0 1 310.781 3.249 20 5 DGBDMN CCc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120095773 621781641 /nfs/dbraw/zinc/78/16/41/621781641.db2.gz ATHYGVXZNWEQFS-UHFFFAOYSA-N 0 1 312.372 3.020 20 5 DGBDMN C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000758998508 621817386 /nfs/dbraw/zinc/81/73/86/621817386.db2.gz CMIYPTIHXONEGE-GFCCVEGCSA-N 0 1 302.378 3.270 20 5 DGBDMN CC[C@@]1(C)CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761294109 621999733 /nfs/dbraw/zinc/99/97/33/621999733.db2.gz VVEYSZWMCFOXJV-INIZCTEOSA-N 0 1 302.378 3.332 20 5 DGBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(C3CC3)n2)c(C(F)F)c1 ZINC000865845731 622007056 /nfs/dbraw/zinc/00/70/56/622007056.db2.gz MLRFKNBXJYRPHI-UHFFFAOYSA-N 0 1 309.276 3.140 20 5 DGBDMN C[C@@H](CCC(C)(C)C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867945303 622196021 /nfs/dbraw/zinc/19/60/21/622196021.db2.gz TUGNGNWORUVCBU-YVEFUNNKSA-N 0 1 321.421 3.100 20 5 DGBDMN Cc1nn(CN2CCCC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764994785 622238561 /nfs/dbraw/zinc/23/85/61/622238561.db2.gz IDBDYRDOUHOFGM-UHFFFAOYSA-N 0 1 302.378 3.332 20 5 DGBDMN Cc1nc2ccc(COc3cc(C=O)ccc3[N+](=O)[O-])cc2[nH]1 ZINC000767393897 622396006 /nfs/dbraw/zinc/39/60/06/622396006.db2.gz LFYYTIZCTUCGEW-UHFFFAOYSA-N 0 1 311.297 3.171 20 5 DGBDMN C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC12CCC2 ZINC000770672171 622659860 /nfs/dbraw/zinc/65/98/60/622659860.db2.gz ZEWMUFOLAIQCLA-ZDUSSCGKSA-N 0 1 314.389 3.414 20 5 DGBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)c1ccco1 ZINC000872021103 622756281 /nfs/dbraw/zinc/75/62/81/622756281.db2.gz OFPVDFDUOUDKOY-MFKMUULPSA-N 0 1 322.386 3.294 20 5 DGBDMN Cc1ccc([C@H](O)CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024967 622759308 /nfs/dbraw/zinc/75/93/08/622759308.db2.gz XRUVQVKQYJAIHW-BLLLJJGKSA-N 0 1 318.348 3.427 20 5 DGBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1F ZINC000872045546 622772261 /nfs/dbraw/zinc/77/22/61/622772261.db2.gz OEIXPVBRUHRKDL-NSHDSACASA-N 0 1 320.320 3.169 20 5 DGBDMN C[C@@H](N[C@H]1CCCc2cn[nH]c21)c1c(F)cccc1[N+](=O)[O-] ZINC000872049785 622775846 /nfs/dbraw/zinc/77/58/46/622775846.db2.gz VYXCYGOZHQAHGJ-SKDRFNHKSA-N 0 1 304.325 3.185 20 5 DGBDMN Cc1ncc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872051018 622776480 /nfs/dbraw/zinc/77/64/80/622776480.db2.gz DRNRUJWANITIQY-VIFPVBQESA-N 0 1 309.366 3.392 20 5 DGBDMN CO[C@@H]1C[C@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000872078783 622793092 /nfs/dbraw/zinc/79/30/92/622793092.db2.gz JSHBSCXNZSLXOW-DDTOSNHZSA-N 0 1 308.353 3.342 20 5 DGBDMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107347 622809400 /nfs/dbraw/zinc/80/94/00/622809400.db2.gz LPSKDZWEDVOFBP-OXIQGZBJSA-N 0 1 308.353 3.342 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@H](C(F)F)CC1 ZINC000872253830 622867975 /nfs/dbraw/zinc/86/79/75/622867975.db2.gz KLBVPTWSHLJXNS-AWEZNQCLSA-N 0 1 314.332 3.068 20 5 DGBDMN Cc1cc(N2CC[C@@H](C(C)(C)O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000872782195 622977877 /nfs/dbraw/zinc/97/78/77/622977877.db2.gz LCOANLSXGBDQJB-GFCCVEGCSA-N 0 1 315.373 3.049 20 5 DGBDMN Cc1c(CN[C@H]2CN(C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000873098899 623035615 /nfs/dbraw/zinc/03/56/15/623035615.db2.gz WLWPEBSXSNIMCB-KRWDZBQOSA-N 0 1 311.385 3.180 20 5 DGBDMN CC[C@H](C)c1nc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000873114007 623038854 /nfs/dbraw/zinc/03/88/54/623038854.db2.gz RQGXLSNUUHZGJQ-CMPLNLGQSA-N 0 1 317.393 3.386 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1C[C@H](O)c2ccccc21 ZINC000873137289 623046546 /nfs/dbraw/zinc/04/65/46/623046546.db2.gz UIEKVCQYCCJZSE-WMZOPIPTSA-N 0 1 312.369 3.480 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC000873156605 623055433 /nfs/dbraw/zinc/05/54/33/623055433.db2.gz LMNMAVDSCAZIMK-VZJVUDMVSA-N 0 1 310.781 3.295 20 5 DGBDMN Cc1ccc([C@H](C)NCc2cc(N)cc(F)c2)cc1[N+](=O)[O-] ZINC000873288217 623104253 /nfs/dbraw/zinc/10/42/53/623104253.db2.gz YBYJUBFBJOANJO-NSHDSACASA-N 0 1 303.337 3.475 20 5 DGBDMN CN(Cc1ccccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272494 623405304 /nfs/dbraw/zinc/40/53/04/623405304.db2.gz UIWSXQMIZSANET-MRXNPFEDSA-N 0 1 320.776 3.414 20 5 DGBDMN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc2cncn2c1 ZINC000790437658 625652690 /nfs/dbraw/zinc/65/26/90/625652690.db2.gz HXCQEJUIOQPDLV-UHFFFAOYSA-N 0 1 316.704 3.148 20 5 DGBDMN C[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777950128 623588921 /nfs/dbraw/zinc/58/89/21/623588921.db2.gz HCLUKHBRZUZAEA-ZDUSSCGKSA-N 0 1 300.362 3.148 20 5 DGBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000778245436 623631668 /nfs/dbraw/zinc/63/16/68/623631668.db2.gz 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C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878332383 624247314 /nfs/dbraw/zinc/24/73/14/624247314.db2.gz NYBBQKQTRCANIP-NEPJUHHUSA-N 0 1 316.361 3.123 20 5 DGBDMN C[C@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000783776789 624395266 /nfs/dbraw/zinc/39/52/66/624395266.db2.gz MOQPKQHMYBLNAR-RQJABVFESA-N 0 1 320.389 3.460 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1Cl ZINC000879418388 624540889 /nfs/dbraw/zinc/54/08/89/624540889.db2.gz HKSALSNBPQSKCT-NOLJZWGESA-N 0 1 324.808 3.374 20 5 DGBDMN C[C@]1(C(F)(F)F)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879999582 624745777 /nfs/dbraw/zinc/74/57/77/624745777.db2.gz FOMCIWULGQOLTJ-ZDUSSCGKSA-N 0 1 318.295 3.248 20 5 DGBDMN Cc1csc([C@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000880011087 624752342 /nfs/dbraw/zinc/75/23/42/624752342.db2.gz LPVCPWCSGKPISA-NSHDSACASA-N 0 1 321.377 3.488 20 5 DGBDMN CCC(C)(C)N1CCN(c2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000882545610 625751468 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JQZQNCYEDOOBEQ-CYBMUJFWSA-N 0 1 303.387 3.343 20 5 DGBDMN CC(C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000074237413 400499418 /nfs/dbraw/zinc/49/94/18/400499418.db2.gz SGOUNKKSTZJRJF-UHFFFAOYSA-N 0 1 311.769 3.060 20 5 DGBDMN COCCCN(C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602450274 400467209 /nfs/dbraw/zinc/46/72/09/400467209.db2.gz KFWYEDSTYJSZFA-UHFFFAOYSA-N 0 1 306.284 3.082 20 5 DGBDMN O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCCC3(F)F)nc2c1 ZINC000602685143 400538026 /nfs/dbraw/zinc/53/80/26/400538026.db2.gz LYHQJBRWWFTNOH-SECBINFHSA-N 0 1 311.288 3.261 20 5 DGBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1c1cccc(F)c1 ZINC000602766220 400567915 /nfs/dbraw/zinc/56/79/15/400567915.db2.gz DMOKDTYAHRRBST-HNNXBMFYSA-N 0 1 318.352 3.076 20 5 DGBDMN C[C@H]1CC2(CN1Cc1c(F)cccc1[N+](=O)[O-])CCOCC2 ZINC000592181943 400619327 /nfs/dbraw/zinc/61/93/27/400619327.db2.gz JUKVWJKCIJBWGN-LBPRGKRZSA-N 0 1 308.353 3.125 20 5 DGBDMN CC(C)[C@@H](O)[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000597222956 400591407 /nfs/dbraw/zinc/59/14/07/400591407.db2.gz QLRFATCEXRLPMV-ZWKOTPCHSA-N 0 1 314.385 3.443 20 5 DGBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000077137402 400689304 /nfs/dbraw/zinc/68/93/04/400689304.db2.gz XAUVLXAZRLWFPT-GFCCVEGCSA-N 0 1 308.382 3.057 20 5 DGBDMN Cc1cc(CNC(=O)c2cc3ccccc3c3cccnc23)n[nH]1 ZINC000603488149 400692158 /nfs/dbraw/zinc/69/21/58/400692158.db2.gz SUFQFWAJXHRVNA-UHFFFAOYSA-N 0 1 316.364 3.350 20 5 DGBDMN CCc1[nH]nc(C(=O)N2CCCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000597954834 400704029 /nfs/dbraw/zinc/70/40/29/400704029.db2.gz LRWGEIOENNGLQS-UHFFFAOYSA-N 0 1 320.393 3.067 20 5 DGBDMN Cc1cnc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000078625492 400814865 /nfs/dbraw/zinc/81/48/65/400814865.db2.gz IVWMABQLJBNPMJ-AWEZNQCLSA-N 0 1 316.361 3.140 20 5 DGBDMN Cc1cnc(NC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000078625500 400814909 /nfs/dbraw/zinc/81/49/09/400814909.db2.gz IVWMABQLJBNPMJ-CQSZACIVSA-N 0 1 316.361 3.140 20 5 DGBDMN Cc1ccccc1OCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000053421590 400783207 /nfs/dbraw/zinc/78/32/07/400783207.db2.gz KEYPWTJKDUMNDW-UHFFFAOYSA-N 0 1 300.358 3.414 20 5 DGBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]4CCC[C@H]43)nc2c1 ZINC000614261516 400865690 /nfs/dbraw/zinc/86/56/90/400865690.db2.gz HXLUVZRXEZGKNV-IAQYHMDHSA-N 0 1 300.362 3.236 20 5 DGBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000614261517 400866409 /nfs/dbraw/zinc/86/64/09/400866409.db2.gz HXLUVZRXEZGKNV-NHYWBVRUSA-N 0 1 300.362 3.236 20 5 DGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCCC[C@@H]1CO ZINC000594015220 400948598 /nfs/dbraw/zinc/94/85/98/400948598.db2.gz XXKTUVBWBBQUKE-MRXNPFEDSA-N 0 1 322.405 3.119 20 5 DGBDMN CC[N@H+](Cc1cccs1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593731191 400900123 /nfs/dbraw/zinc/90/01/23/400900123.db2.gz UGLBQGJDROHSNM-UHFFFAOYSA-N 0 1 320.370 3.377 20 5 DGBDMN CC[N@@H+](Cc1cccs1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593731191 400900127 /nfs/dbraw/zinc/90/01/27/400900127.db2.gz UGLBQGJDROHSNM-UHFFFAOYSA-N 0 1 320.370 3.377 20 5 DGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000593734133 400900461 /nfs/dbraw/zinc/90/04/61/400900461.db2.gz UMHPBMKJMNNJGH-AWEZNQCLSA-N 0 1 304.346 3.058 20 5 DGBDMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737867 400901570 /nfs/dbraw/zinc/90/15/70/400901570.db2.gz XQKGLRLOAAEJFF-TYNCELHUSA-N 0 1 318.373 3.446 20 5 DGBDMN CC(C)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737114 400902169 /nfs/dbraw/zinc/90/21/69/400902169.db2.gz IDDHBUGSGBGRRT-CQSZACIVSA-N 0 1 306.362 3.304 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000593755669 400905200 /nfs/dbraw/zinc/90/52/00/400905200.db2.gz KMFGRMWQWDMMIO-XFBWCDHKSA-N 0 1 318.373 3.007 20 5 DGBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000598993325 400922889 /nfs/dbraw/zinc/92/28/89/400922889.db2.gz KLRSUTMKLMNUHF-QGZVFWFLSA-N 0 1 313.357 3.326 20 5 DGBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4CC[C@@H](C3)S4)nc2c1 ZINC000599553395 401075615 /nfs/dbraw/zinc/07/56/15/401075615.db2.gz SHWBEEDMPGTTLG-NEPJUHHUSA-N 0 1 319.386 3.206 20 5 DGBDMN O=[N+]([O-])c1cnc(N[C@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594598800 401124098 /nfs/dbraw/zinc/12/40/98/401124098.db2.gz HYGUITHLQQKKFY-STQMWFEESA-N 0 1 310.785 3.072 20 5 DGBDMN C[C@H](NCc1c(C2CC2)cnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594729903 401160753 /nfs/dbraw/zinc/16/07/53/401160753.db2.gz PFQHQORWHDYQMY-NSHDSACASA-N 0 1 300.362 3.057 20 5 DGBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000594733751 401162823 /nfs/dbraw/zinc/16/28/23/401162823.db2.gz DTKLYBWDEBKHLY-ARFHVFGLSA-N 0 1 318.373 3.060 20 5 DGBDMN Cc1ccc([C@@H](C)N[C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000280014663 292196771 /nfs/dbraw/zinc/19/67/71/292196771.db2.gz GWWXUKXQTISNPI-DOMZBBRYSA-N 0 1 314.389 3.365 20 5 DGBDMN Cc1c(NC(=O)[C@H](C)N2CCCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187959817 165106524 /nfs/dbraw/zinc/10/65/24/165106524.db2.gz JFCOXBLRWACAEB-JSGCOSHPSA-N 0 1 319.405 3.352 20 5 DGBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(C2(N)CCC2)no1 ZINC000261880764 165759554 /nfs/dbraw/zinc/75/95/54/165759554.db2.gz WHMNFZCQSWQAQQ-SECBINFHSA-N 0 1 320.374 3.169 20 5 DGBDMN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000171682578 432160033 /nfs/dbraw/zinc/16/00/33/432160033.db2.gz QRURGGZPVMEYCA-UHFFFAOYSA-N 0 1 311.769 3.061 20 5 DGBDMN C[C@@H](c1ccccc1F)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136958522 432166050 /nfs/dbraw/zinc/16/60/50/432166050.db2.gz LOFYOUHKLYMPOB-SJCJKPOMSA-N 0 1 318.348 3.460 20 5 DGBDMN CC[C@H](C)[C@@H](C)N(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CC1 ZINC000269381641 432167746 /nfs/dbraw/zinc/16/77/46/432167746.db2.gz JPTHHIGSHIAEGP-WDEREUQCSA-N 0 1 322.409 3.481 20 5 DGBDMN CC[C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269555048 432185924 /nfs/dbraw/zinc/18/59/24/432185924.db2.gz YVNUQRMXGWWASL-LLVKDONJSA-N 0 1 308.382 3.094 20 5 DGBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1O ZINC000172108778 432196545 /nfs/dbraw/zinc/19/65/45/432196545.db2.gz KFBLPYZKMOPBNY-UHFFFAOYSA-N 0 1 306.705 3.135 20 5 DGBDMN C[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269708893 432201282 /nfs/dbraw/zinc/20/12/82/432201282.db2.gz ORVSUTDLQSPZAM-XHDPSFHLSA-N 0 1 318.398 3.309 20 5 DGBDMN C[C@H]1c2ccsc2CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269708893 432201284 /nfs/dbraw/zinc/20/12/84/432201284.db2.gz ORVSUTDLQSPZAM-XHDPSFHLSA-N 0 1 318.398 3.309 20 5 DGBDMN Cc1ccccc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269731570 432202674 /nfs/dbraw/zinc/20/26/74/432202674.db2.gz YARJKYKILMSXHG-KRWDZBQOSA-N 0 1 300.358 3.069 20 5 DGBDMN CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](C)OC ZINC000291085808 222125511 /nfs/dbraw/zinc/12/55/11/222125511.db2.gz OKYFZLSAQUFCEW-JTQLQIEISA-N 0 1 318.320 3.053 20 5 DGBDMN Cc1c(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000298156749 228387222 /nfs/dbraw/zinc/38/72/22/228387222.db2.gz DUEWVPGAHAWICX-GVXVVHGQSA-N 0 1 305.378 3.103 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc2c1OCO2 ZINC000130859908 292642427 /nfs/dbraw/zinc/64/24/27/292642427.db2.gz BECLSXTZCPOVOP-GFCCVEGCSA-N 0 1 314.341 3.483 20 5 DGBDMN CCc1ccc([C@H](N[C@@H](C)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346595793 264061223 /nfs/dbraw/zinc/06/12/23/264061223.db2.gz FYJXXBOCUICBCL-YVEFUNNKSA-N 0 1 318.373 3.200 20 5 DGBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1c1cccnc1 ZINC000346984169 264133407 /nfs/dbraw/zinc/13/34/07/264133407.db2.gz OHHOGJACQLBPDK-OAHLLOKOSA-N 0 1 313.357 3.206 20 5 DGBDMN CCOC1CC(N(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000347455418 264224088 /nfs/dbraw/zinc/22/40/88/264224088.db2.gz NYQWDSFTHKYGQG-UHFFFAOYSA-N 0 1 322.405 3.381 20 5 DGBDMN CCn1cc(CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000348305274 264385423 /nfs/dbraw/zinc/38/54/23/264385423.db2.gz VPCICILMMGRIQL-UHFFFAOYSA-N 0 1 314.389 3.018 20 5 DGBDMN C[C@@H]1CSC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352817366 265178495 /nfs/dbraw/zinc/17/84/95/265178495.db2.gz RBFYSOUZEREJDV-QMTHXVAHSA-N 0 1 319.386 3.091 20 5 DGBDMN Cc1ccc(CN2CCN(C)c3ccccc3C2)cc1[N+](=O)[O-] ZINC000353287829 265375700 /nfs/dbraw/zinc/37/57/00/265375700.db2.gz SKRMWECCTGKUMW-UHFFFAOYSA-N 0 1 311.385 3.355 20 5 DGBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2cccnc12 ZINC000355478511 266087555 /nfs/dbraw/zinc/08/75/55/266087555.db2.gz XARHBDJUZIXRDU-UHFFFAOYSA-N 0 1 323.308 3.409 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCOCC2(CCC2)C1 ZINC000355507762 266095998 /nfs/dbraw/zinc/09/59/98/266095998.db2.gz INZDQENAHWFJFO-UTCJRWHESA-N 0 1 302.374 3.111 20 5 DGBDMN O=C(Nc1ccc2ccccc2n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356232459 266326159 /nfs/dbraw/zinc/32/61/59/266326159.db2.gz YVDZMFCGNDFZJX-UHFFFAOYSA-N 0 1 309.281 3.101 20 5 DGBDMN O=C(NCc1ccc2ccccc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356369368 266371243 /nfs/dbraw/zinc/37/12/43/266371243.db2.gz VNEFOWZNSNFZOD-UHFFFAOYSA-N 0 1 322.320 3.384 20 5 DGBDMN Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356425041 266387668 /nfs/dbraw/zinc/38/76/68/266387668.db2.gz UKVUUTTVYGCGPE-INIZCTEOSA-N 0 1 312.325 3.026 20 5 DGBDMN CC(C)c1ccc(CN2CC([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000369867753 271325521 /nfs/dbraw/zinc/32/55/21/271325521.db2.gz LTMZJZNOVBSDPY-AWEZNQCLSA-N 0 1 304.390 3.187 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000437540022 274118805 /nfs/dbraw/zinc/11/88/05/274118805.db2.gz ACODTMJATZSJJW-HOCLYGCPSA-N 0 1 322.430 3.463 20 5 DGBDMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000123087744 274316226 /nfs/dbraw/zinc/31/62/26/274316226.db2.gz JJZQVRKIWHIIIH-PHIMTYICSA-N 0 1 302.334 3.018 20 5 DGBDMN Cc1nn(C)cc1[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192825328 274869453 /nfs/dbraw/zinc/86/94/53/274869453.db2.gz PJEUFGFQRPQLAB-GTNSWQLSSA-N 0 1 314.389 3.365 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H]1CCCC[C@@H]1OC(F)F ZINC000337413746 275039450 /nfs/dbraw/zinc/03/94/50/275039450.db2.gz OMOCQHCSYNCWHI-AAEUAGOBSA-N 0 1 318.295 3.374 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000269385321 276040724 /nfs/dbraw/zinc/04/07/24/276040724.db2.gz QAURNOIAYPLNOI-VXGBXAGGSA-N 0 1 320.393 3.236 20 5 DGBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000331213200 279013579 /nfs/dbraw/zinc/01/35/79/279013579.db2.gz LENFBKQETFGYLV-RYUDHWBXSA-N 0 1 322.409 3.482 20 5 DGBDMN COCC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000112354152 431267602 /nfs/dbraw/zinc/26/76/02/431267602.db2.gz OGWJSGNOJATYSU-UHFFFAOYSA-N 0 1 322.405 3.240 20 5 DGBDMN O=[N+]([O-])c1cccc(CSc2nc(-c3ccccn3)n[nH]2)c1 ZINC000117113352 431546230 /nfs/dbraw/zinc/54/62/30/431546230.db2.gz KXHGPGIKDSWEEV-UHFFFAOYSA-N 0 1 313.342 3.067 20 5 DGBDMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000123095897 431855464 /nfs/dbraw/zinc/85/54/64/431855464.db2.gz PLVKYVZJLGATNH-QWRGUYRKSA-N 0 1 302.334 3.018 20 5 DGBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC4(CCC4)C3)o2)cc1 ZINC000123660210 431871731 /nfs/dbraw/zinc/87/17/31/431871731.db2.gz AGGLWRLUHXLLPN-UHFFFAOYSA-N 0 1 314.345 3.021 20 5 DGBDMN CC1(C)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000127065481 431963873 /nfs/dbraw/zinc/96/38/73/431963873.db2.gz NQELDHAWOJMVLZ-UHFFFAOYSA-N 0 1 305.378 3.045 20 5 DGBDMN CC1(C)CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000127065481 431963875 /nfs/dbraw/zinc/96/38/75/431963875.db2.gz NQELDHAWOJMVLZ-UHFFFAOYSA-N 0 1 305.378 3.045 20 5 DGBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183373008 432286325 /nfs/dbraw/zinc/28/63/25/432286325.db2.gz WWLSETJLKQXKNK-MRXNPFEDSA-N 0 1 316.332 3.387 20 5 DGBDMN Cc1c([C@H](C)NCc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000152068774 432301242 /nfs/dbraw/zinc/30/12/42/432301242.db2.gz COFMTROVUYYMOG-LBPRGKRZSA-N 0 1 314.341 3.483 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc2c(c1)OCO2 ZINC000152068508 432301249 /nfs/dbraw/zinc/30/12/49/432301249.db2.gz BGUFLYDYDPTIBW-LBPRGKRZSA-N 0 1 314.341 3.483 20 5 DGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000152091402 432302756 /nfs/dbraw/zinc/30/27/56/432302756.db2.gz BURNIQYDWMDPSP-LBPRGKRZSA-N 0 1 322.409 3.169 20 5 DGBDMN Cc1cnc(C(C)(C)NCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000183936501 432336344 /nfs/dbraw/zinc/33/63/44/432336344.db2.gz NGQVQVNSRLLUQX-UHFFFAOYSA-N 0 1 321.402 3.263 20 5 DGBDMN CC[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184403481 432387181 /nfs/dbraw/zinc/38/71/81/432387181.db2.gz JSYXMFMYTMXEQG-CQSZACIVSA-N 0 1 321.402 3.479 20 5 DGBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCc3cn[nH]c32)cc1OC(F)F ZINC000271413037 432390497 /nfs/dbraw/zinc/39/04/97/432390497.db2.gz TWBXGQUHKRZRMZ-JTQLQIEISA-N 0 1 324.287 3.409 20 5 DGBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cn[nH]c32)cc1OC(F)F ZINC000271413044 432391243 /nfs/dbraw/zinc/39/12/43/432391243.db2.gz TWBXGQUHKRZRMZ-SNVBAGLBSA-N 0 1 324.287 3.409 20 5 DGBDMN CCc1nc([C@@H](C)N[C@H](CC)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000271425155 432392211 /nfs/dbraw/zinc/39/22/11/432392211.db2.gz CKKMSRZCAJOKOW-ZWNOBZJWSA-N 0 1 303.366 3.077 20 5 DGBDMN CCC[C@H](NCc1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000271452059 432399247 /nfs/dbraw/zinc/39/92/47/432399247.db2.gz FWLPWPAIFZPZLL-INIZCTEOSA-N 0 1 302.378 3.442 20 5 DGBDMN Cc1cnc([C@@H](C)NCCOc2cccc([N+](=O)[O-])c2)s1 ZINC000185019284 432455803 /nfs/dbraw/zinc/45/58/03/432455803.db2.gz HBBNKURZASDYIQ-LLVKDONJSA-N 0 1 307.375 3.089 20 5 DGBDMN CC[C@H](N[C@@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192853608 432422079 /nfs/dbraw/zinc/42/20/79/432422079.db2.gz CTLURCKLTQMAID-ZBEGNZNMSA-N 0 1 302.378 3.439 20 5 DGBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000262103590 432473362 /nfs/dbraw/zinc/47/33/62/432473362.db2.gz JCCCUHVBQLDRFN-CHWSQXEVSA-N 0 1 306.362 3.233 20 5 DGBDMN Cc1cc(N[C@@H]2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272890584 432537236 /nfs/dbraw/zinc/53/72/36/432537236.db2.gz XUPBDDDBPKZAAE-VXGBXAGGSA-N 0 1 301.346 3.431 20 5 DGBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccco1)N1CCCC1 ZINC000264517691 432654882 /nfs/dbraw/zinc/65/48/82/432654882.db2.gz ZHWKWYLBEOIOEM-CQSZACIVSA-N 0 1 316.361 3.140 20 5 DGBDMN Cc1c([C@@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000178570932 432754303 /nfs/dbraw/zinc/75/43/03/432754303.db2.gz YAOSIKQWVODNJJ-OCBCSQNSSA-N 0 1 312.369 3.212 20 5 DGBDMN O=[N+]([O-])c1ccc(OC2CCN(CCC(F)(F)F)CC2)cc1 ZINC000266585074 432767869 /nfs/dbraw/zinc/76/78/69/432767869.db2.gz JWYUCZGPPXTNOI-UHFFFAOYSA-N 0 1 318.295 3.390 20 5 DGBDMN COc1ccc(CNCc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000237241104 432781322 /nfs/dbraw/zinc/78/13/22/432781322.db2.gz STJFJZFXYBCPHS-UHFFFAOYSA-N 0 1 316.357 3.210 20 5 DGBDMN CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000276329850 432798505 /nfs/dbraw/zinc/79/85/05/432798505.db2.gz KXHNHGGSBRJOIW-UHFFFAOYSA-N 0 1 316.361 3.017 20 5 DGBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245951127 432872422 /nfs/dbraw/zinc/87/24/22/432872422.db2.gz SNVWNOXXMLRSQW-DYEKYZERSA-N 0 1 319.405 3.208 20 5 DGBDMN Cc1cc(N[C@@H](C)CCCCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000296317513 432896275 /nfs/dbraw/zinc/89/62/75/432896275.db2.gz OCWNZPDCNIQYAB-NSHDSACASA-N 0 1 303.362 3.414 20 5 DGBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000277425025 432849426 /nfs/dbraw/zinc/84/94/26/432849426.db2.gz MZDBZASFPDTKEU-JGVFFNPUSA-N 0 1 324.772 3.448 20 5 DGBDMN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000279056531 432930367 /nfs/dbraw/zinc/93/03/67/432930367.db2.gz KNIROBOXGLITTN-MEDUHNTESA-N 0 1 314.389 3.402 20 5 DGBDMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000331203354 432934775 /nfs/dbraw/zinc/93/47/75/432934775.db2.gz CAGPXMANQJNXCM-NEPJUHHUSA-N 0 1 322.409 3.482 20 5 DGBDMN CCC[C@@]1(C)CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000331217080 432936006 /nfs/dbraw/zinc/93/60/06/432936006.db2.gz QCPQENCXPYKYPG-INIZCTEOSA-N 0 1 322.409 3.484 20 5 DGBDMN CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330487106 432912579 /nfs/dbraw/zinc/91/25/79/432912579.db2.gz GLVKVGJVHWIRFR-GFCCVEGCSA-N 0 1 318.295 3.463 20 5 DGBDMN CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330487106 432912581 /nfs/dbraw/zinc/91/25/81/432912581.db2.gz GLVKVGJVHWIRFR-GFCCVEGCSA-N 0 1 318.295 3.463 20 5 DGBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000332069106 432970075 /nfs/dbraw/zinc/97/00/75/432970075.db2.gz USFKXNBTPSVPIK-MRXNPFEDSA-N 0 1 317.389 3.330 20 5 DGBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCCN1C1CCCC1 ZINC000332069106 432970079 /nfs/dbraw/zinc/97/00/79/432970079.db2.gz USFKXNBTPSVPIK-MRXNPFEDSA-N 0 1 317.389 3.330 20 5 DGBDMN C[C@@H]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000349593193 432980737 /nfs/dbraw/zinc/98/07/37/432980737.db2.gz XOYPRLAPGYWTTH-MXWKQRLJSA-N 0 1 316.361 3.026 20 5 DGBDMN CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)(C)O ZINC000290126061 432996681 /nfs/dbraw/zinc/99/66/81/432996681.db2.gz ZBOFWTSNJRVCAM-UHFFFAOYSA-N 0 1 307.177 3.104 20 5 DGBDMN Cc1ccc([C@H](C)N[C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000280014670 433000207 /nfs/dbraw/zinc/00/02/07/433000207.db2.gz GWWXUKXQTISNPI-SWLSCSKDSA-N 0 1 314.389 3.365 20 5 DGBDMN Cc1cc(C)cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446852751 433119590 /nfs/dbraw/zinc/11/95/90/433119590.db2.gz QKONFFOLKKCRRP-UHFFFAOYSA-N 0 1 310.357 3.378 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)cs1 ZINC000425373384 433210868 /nfs/dbraw/zinc/21/08/68/433210868.db2.gz PUCBQTIQGMEYOG-HNNXBMFYSA-N 0 1 322.430 3.437 20 5 DGBDMN COc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000291584123 433277142 /nfs/dbraw/zinc/27/71/42/433277142.db2.gz PDTIXWLNVGSJMY-MRXNPFEDSA-N 0 1 302.374 3.368 20 5 DGBDMN COC1CCC(Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413420631 433278531 /nfs/dbraw/zinc/27/85/31/433278531.db2.gz PLJDXCHMWBMLQG-UHFFFAOYSA-N 0 1 315.373 3.243 20 5 DGBDMN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000339190687 433430725 /nfs/dbraw/zinc/43/07/25/433430725.db2.gz YPWOIOYHNFIBQD-LBPRGKRZSA-N 0 1 318.295 3.224 20 5 DGBDMN CC[C@@H](C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000421390448 433531182 /nfs/dbraw/zinc/53/11/82/433531182.db2.gz UVKBNUJJBJMENZ-IUODEOHRSA-N 0 1 302.378 3.053 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(c2ccncn2)CC1 ZINC000414472456 433641170 /nfs/dbraw/zinc/64/11/70/433641170.db2.gz RXPVAYDEWUXIIE-HYXAFXHYSA-N 0 1 324.384 3.278 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](O)C12CCCC2 ZINC000292826931 433599018 /nfs/dbraw/zinc/59/90/18/433599018.db2.gz TXJOLVSRMCNBNX-AWEZNQCLSA-N 0 1 310.781 3.128 20 5 DGBDMN COc1cc([C@H](C)NCc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000342310507 433608869 /nfs/dbraw/zinc/60/88/69/433608869.db2.gz XZGWJQIHAVGTLA-LBPRGKRZSA-N 0 1 301.346 3.158 20 5 DGBDMN CC(C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356588903 433617119 /nfs/dbraw/zinc/61/71/19/433617119.db2.gz GVAQKYMQJZMQEI-INIZCTEOSA-N 0 1 314.341 3.428 20 5 DGBDMN O=[N+]([O-])c1ccc(CCCCNc2nc(C3CC3)ns2)cc1 ZINC000426889459 433624139 /nfs/dbraw/zinc/62/41/39/433624139.db2.gz FNXYQLDFMIUSSJ-UHFFFAOYSA-N 0 1 318.402 3.180 20 5 DGBDMN CCc1ccc([C@@H](NCc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000356746381 433674601 /nfs/dbraw/zinc/67/46/01/433674601.db2.gz YVVNDGYDAWVDNZ-INIZCTEOSA-N 0 1 316.405 3.378 20 5 DGBDMN CCOc1cc(N[C@H](C)c2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000356787337 433696739 /nfs/dbraw/zinc/69/67/39/433696739.db2.gz DHDVQNGCKWVOIS-SNVBAGLBSA-N 0 1 319.365 3.408 20 5 DGBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000356786606 433695608 /nfs/dbraw/zinc/69/56/08/433695608.db2.gz SBADHWWMOKHAPI-SECBINFHSA-N 0 1 320.732 3.445 20 5 DGBDMN CC(C)C[C@H](N)c1noc([C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000414612525 433744160 /nfs/dbraw/zinc/74/41/60/433744160.db2.gz DBQPDQFCAJISHQ-RNCFNFMXSA-N 0 1 322.340 3.315 20 5 DGBDMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414638640 433761123 /nfs/dbraw/zinc/76/11/23/433761123.db2.gz OJIOXIBYLMSPHJ-UHFFFAOYSA-N 0 1 318.329 3.151 20 5 DGBDMN CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343262367 433791655 /nfs/dbraw/zinc/79/16/55/433791655.db2.gz HDVSMZKBTMXYOC-JTQLQIEISA-N 0 1 317.311 3.144 20 5 DGBDMN C[C@H](NCc1ccnc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000284287218 433877762 /nfs/dbraw/zinc/87/77/62/433877762.db2.gz HXWVVUGGXFAIKP-JTQLQIEISA-N 0 1 323.299 3.442 20 5 DGBDMN CO[C@H]1CC[C@@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302737986 433846680 /nfs/dbraw/zinc/84/66/80/433846680.db2.gz BRGJEMPUEZMNLS-YPMHNXCESA-N 0 1 301.346 3.431 20 5 DGBDMN CC(C)[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000352189099 433965982 /nfs/dbraw/zinc/96/59/82/433965982.db2.gz BZURZKVWOAONSS-HNNXBMFYSA-N 0 1 323.368 3.183 20 5 DGBDMN O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3C3CC3)n2)c1 ZINC000363385118 434036867 /nfs/dbraw/zinc/03/68/67/434036867.db2.gz ULIMYUHAIFJMEW-CQSZACIVSA-N 0 1 314.345 3.019 20 5 DGBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3C3CC3)n2)c1 ZINC000363385118 434036876 /nfs/dbraw/zinc/03/68/76/434036876.db2.gz ULIMYUHAIFJMEW-CQSZACIVSA-N 0 1 314.345 3.019 20 5 DGBDMN Cc1cccc(C(C)(C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000432339050 293925152 /nfs/dbraw/zinc/92/51/52/293925152.db2.gz ZBOUJFXDXMWWOS-UHFFFAOYSA-N 0 1 314.341 3.274 20 5 DGBDMN CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000506207379 294266266 /nfs/dbraw/zinc/26/62/66/294266266.db2.gz OGSAPZGTGNXPJP-WCQYABFASA-N 0 1 306.362 3.245 20 5 DGBDMN COc1ccncc1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000353610647 434268737 /nfs/dbraw/zinc/26/87/37/434268737.db2.gz VXHGQVHXCITUCT-MDWZMJQESA-N 0 1 313.357 3.192 20 5 DGBDMN CC(=O)c1cccc(CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000295349167 434320871 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/nfs/dbraw/zinc/86/62/57/433866257.db2.gz KTUCXZFUPNDMBX-UHFFFAOYSA-N 0 1 322.280 3.470 20 5 DGBDMN CC[C@H](C)c1nc([C@@H](C)NCc2csc([N+](=O)[O-])c2)n[nH]1 ZINC000362921883 433912610 /nfs/dbraw/zinc/91/26/10/433912610.db2.gz AFGLEVRAQQDSHA-DTWKUNHWSA-N 0 1 309.395 3.139 20 5 DGBDMN CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1=CCCC1 ZINC000457178164 434035140 /nfs/dbraw/zinc/03/51/40/434035140.db2.gz ILHCUFCKGHVKRB-UHFFFAOYSA-N 0 1 304.346 3.167 20 5 DGBDMN COc1cc(-c2nc3c([nH]2)c(C)ccc3C)cc([N+](=O)[O-])c1O ZINC000436893865 434157282 /nfs/dbraw/zinc/15/72/82/434157282.db2.gz OWGMCUKFNXMORH-UHFFFAOYSA-N 0 1 313.313 3.469 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CN(C)Cc2ccccc21 ZINC000363884089 434174179 /nfs/dbraw/zinc/17/41/79/434174179.db2.gz FOAVAYBXPUGSRA-SFHVURJKSA-N 0 1 311.385 3.180 20 5 DGBDMN CCS[C@H]1CCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000286213852 434198971 /nfs/dbraw/zinc/19/89/71/434198971.db2.gz QQPPJCJVLPHXFH-RISCZKNCSA-N 0 1 321.402 3.500 20 5 DGBDMN CCS[C@@H]1CCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000286213871 434199741 /nfs/dbraw/zinc/19/97/41/434199741.db2.gz QQPPJCJVLPHXFH-SMDDNHRTSA-N 0 1 321.402 3.500 20 5 DGBDMN CCC[C@](C)(O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000318446321 434210066 /nfs/dbraw/zinc/21/00/66/434210066.db2.gz FIUABKBHGRIGHX-INIZCTEOSA-N 0 1 303.362 3.414 20 5 DGBDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286258295 434213275 /nfs/dbraw/zinc/21/32/75/434213275.db2.gz AWPUXGNYYPBPQI-SCYJSFNGSA-N 0 1 322.792 3.103 20 5 DGBDMN CC(C)[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000319821897 434229752 /nfs/dbraw/zinc/22/97/52/434229752.db2.gz WAERJAWLDBCGQV-LRDDRELGSA-N 0 1 306.362 3.089 20 5 DGBDMN C[C@@H]1CC[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353681724 434332985 /nfs/dbraw/zinc/33/29/85/434332985.db2.gz BJDOJWMKXJEVBE-INWMFGNUSA-N 0 1 314.389 3.196 20 5 DGBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H](CO)C1CCCCC1 ZINC000395294452 434414376 /nfs/dbraw/zinc/41/43/76/434414376.db2.gz PRZIQYNPIHJDTH-AWEZNQCLSA-N 0 1 312.797 3.279 20 5 DGBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(Cl)c1O ZINC000353885347 434502024 /nfs/dbraw/zinc/50/20/24/434502024.db2.gz CDDKNJTVIYUBHN-UHFFFAOYSA-N 0 1 324.695 3.274 20 5 DGBDMN CCc1cc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)on1 ZINC000527038714 295072928 /nfs/dbraw/zinc/07/29/28/295072928.db2.gz NACHWYQCICPKNM-KPKJPENVSA-N 0 1 301.346 3.338 20 5 DGBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000360444809 434609069 /nfs/dbraw/zinc/60/90/69/434609069.db2.gz PIJVJWPJWZWFGY-UHFFFAOYSA-N 0 1 310.313 3.340 20 5 DGBDMN Cc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000354181952 434659871 /nfs/dbraw/zinc/65/98/71/434659871.db2.gz VSHPJCYZZGTARO-MRXNPFEDSA-N 0 1 319.405 3.352 20 5 DGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](n2cccn2)C1 ZINC000441481440 434767118 /nfs/dbraw/zinc/76/71/18/434767118.db2.gz NRBXMNSQDKYBPC-ZIAGYGMSSA-N 0 1 300.362 3.189 20 5 DGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cccn2)C1 ZINC000441481438 434763673 /nfs/dbraw/zinc/76/36/73/434763673.db2.gz NRBXMNSQDKYBPC-KGLIPLIRSA-N 0 1 300.362 3.189 20 5 DGBDMN COC(=O)c1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000411766449 434826874 /nfs/dbraw/zinc/82/68/74/434826874.db2.gz CHAZMJIYPVTCLK-JTQLQIEISA-N 0 1 320.370 3.294 20 5 DGBDMN Cc1c(NC(=O)[C@@H](C)N2CC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412041494 434859518 /nfs/dbraw/zinc/85/95/18/434859518.db2.gz LMNVYZOKYAYGGI-WCQYABFASA-N 0 1 319.405 3.351 20 5 DGBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000521558487 434886474 /nfs/dbraw/zinc/88/64/74/434886474.db2.gz HFOYCLNEORBNJJ-LBPRGKRZSA-N 0 1 304.350 3.026 20 5 DGBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000492175884 434931012 /nfs/dbraw/zinc/93/10/12/434931012.db2.gz NVTVMZGGXZXJJK-STQMWFEESA-N 0 1 324.808 3.497 20 5 DGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1c(F)cccc1[N+](=O)[O-] ZINC000578536848 435091856 /nfs/dbraw/zinc/09/18/56/435091856.db2.gz HOKBUYDFZUMNBG-UHFFFAOYSA-N 0 1 306.341 3.391 20 5 DGBDMN CC(C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000467173504 435110005 /nfs/dbraw/zinc/11/00/05/435110005.db2.gz CWJMNOLNQSRGSO-KGLIPLIRSA-N 0 1 319.405 3.290 20 5 DGBDMN Cc1ccccc1[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000532249810 435152437 /nfs/dbraw/zinc/15/24/37/435152437.db2.gz LDVGCKKMMBLESW-DYVFJYSZSA-N 0 1 300.358 3.287 20 5 DGBDMN CCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C(C)C ZINC000516312875 435526665 /nfs/dbraw/zinc/52/66/65/435526665.db2.gz KGXPYFOZKHLEIC-UHFFFAOYSA-N 0 1 316.361 3.246 20 5 DGBDMN Cc1ccc2c(c1)CCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000484008184 435537800 /nfs/dbraw/zinc/53/78/00/435537800.db2.gz QABQZZJAGAJLQL-UHFFFAOYSA-N 0 1 312.369 3.340 20 5 DGBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc2O1 ZINC000338992809 300269180 /nfs/dbraw/zinc/26/91/80/300269180.db2.gz ORYNTODNFNHHIP-NSHDSACASA-N 0 1 300.314 3.088 20 5 DGBDMN CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@@H]21 ZINC000550063520 435791985 /nfs/dbraw/zinc/79/19/85/435791985.db2.gz NRCSGZNHMVGYAB-WFASDCNBSA-N 0 1 314.389 3.482 20 5 DGBDMN C[C@@H](NCC(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173366075 312756111 /nfs/dbraw/zinc/75/61/11/312756111.db2.gz ZPSQTAPJGFUESI-LLVKDONJSA-N 0 1 317.320 3.023 20 5 DGBDMN C[C@@H](NCC(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173365738 312756227 /nfs/dbraw/zinc/75/62/27/312756227.db2.gz FOCFCTFNLUMHKG-LLVKDONJSA-N 0 1 317.320 3.023 20 5 DGBDMN COc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000563257832 315095955 /nfs/dbraw/zinc/09/59/55/315095955.db2.gz NUMYKVFMJAUGGT-UHFFFAOYSA-N 0 1 318.348 3.417 20 5 DGBDMN Cc1cc([C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000566357561 315337222 /nfs/dbraw/zinc/33/72/22/315337222.db2.gz CAWIOMXCKLHVJS-NSHDSACASA-N 0 1 318.329 3.387 20 5 DGBDMN Cc1cc([C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000566357561 315337225 /nfs/dbraw/zinc/33/72/25/315337225.db2.gz CAWIOMXCKLHVJS-NSHDSACASA-N 0 1 318.329 3.387 20 5 DGBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1c[nH]nc1C(C)(C)C ZINC000566705340 315368497 /nfs/dbraw/zinc/36/84/97/315368497.db2.gz GAUUQKHAOWUXGN-UHFFFAOYSA-N 0 1 316.405 3.290 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000576590299 316146569 /nfs/dbraw/zinc/14/65/69/316146569.db2.gz YFTXDLMKKSCTGA-BLLLJJGKSA-N 0 1 306.362 3.151 20 5 DGBDMN CCOc1cccc(NC[C@H](c2ccco2)N(C)C)c1[N+](=O)[O-] ZINC000183135107 323326908 /nfs/dbraw/zinc/32/69/08/323326908.db2.gz LPVKELPODWKOLO-CYBMUJFWSA-N 0 1 319.361 3.301 20 5 DGBDMN C[C@H](CC1CCCCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428063344 533781298 /nfs/dbraw/zinc/78/12/98/533781298.db2.gz SRJOJCRWZGYMOC-LLVKDONJSA-N 0 1 306.362 3.389 20 5 DGBDMN C[C@@H](SCc1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000413000251 533994521 /nfs/dbraw/zinc/99/45/21/533994521.db2.gz AGFYUMVZKJUJJN-SECBINFHSA-N 0 1 313.375 3.264 20 5 DGBDMN COC(=O)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000296733321 534143836 /nfs/dbraw/zinc/14/38/36/534143836.db2.gz ODSQHZRNPNLOBE-JTQLQIEISA-N 0 1 320.370 3.294 20 5 DGBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000339204538 523181404 /nfs/dbraw/zinc/18/14/04/523181404.db2.gz HOSVHANGNKSSFB-UHFFFAOYSA-N 0 1 300.305 3.310 20 5 DGBDMN O=C(Nc1cc(Cl)cc(F)c1F)c1ccc([N+](=O)[O-])o1 ZINC000441585771 534817228 /nfs/dbraw/zinc/81/72/28/534817228.db2.gz DHSWTCUWPPQEBR-UHFFFAOYSA-N 0 1 302.620 3.372 20 5 DGBDMN CC(=O)c1ccc(NCCN2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443944836 527316512 /nfs/dbraw/zinc/31/65/12/527316512.db2.gz ILDBHQHGGWJXLB-UHFFFAOYSA-N 0 1 319.405 3.331 20 5 DGBDMN CC(C)C(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000446330891 527586523 /nfs/dbraw/zinc/58/65/23/527586523.db2.gz IUIDLVTXMWPWIS-UHFFFAOYSA-N 0 1 318.377 3.129 20 5 DGBDMN CCC[C@H](C)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294427349 528045883 /nfs/dbraw/zinc/04/58/83/528045883.db2.gz JYTNSCJYXRKTMA-NSHDSACASA-N 0 1 316.361 3.246 20 5 DGBDMN CC(C)[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444688001 528668347 /nfs/dbraw/zinc/66/83/47/528668347.db2.gz IFFBPRBEDKBTFP-GFCCVEGCSA-N 0 1 302.378 3.339 20 5 DGBDMN CC[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(F)(F)F ZINC000412629482 529358358 /nfs/dbraw/zinc/35/83/58/529358358.db2.gz DHFHRKCPDIRJNS-QMMMGPOBSA-N 0 1 320.267 3.009 20 5 DGBDMN CC1(C)[C@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451479354 535073082 /nfs/dbraw/zinc/07/30/82/535073082.db2.gz MRBWZPZYZBAIJR-VQISRLSMSA-N 0 1 308.353 3.027 20 5 DGBDMN CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000451551553 536750789 /nfs/dbraw/zinc/75/07/89/536750789.db2.gz WKTIDLSDQACJBT-CJNGLKHVSA-N 0 1 322.405 3.239 20 5 DGBDMN O=[N+]([O-])c1sccc1NCc1n[nH]c(-c2ccccc2)n1 ZINC000732568426 574575912 /nfs/dbraw/zinc/57/59/12/574575912.db2.gz RXKHDONITYJYRQ-UHFFFAOYSA-N 0 1 301.331 3.054 20 5 DGBDMN O=[N+]([O-])c1sccc1NCc1nc(-c2ccccc2)n[nH]1 ZINC000732568426 574575913 /nfs/dbraw/zinc/57/59/13/574575913.db2.gz RXKHDONITYJYRQ-UHFFFAOYSA-N 0 1 301.331 3.054 20 5 DGBDMN CO[C@H](CNCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733329970 574616579 /nfs/dbraw/zinc/61/65/79/574616579.db2.gz MTNANYOSYXWWCD-CYBMUJFWSA-N 0 1 320.311 3.385 20 5 DGBDMN C[C@H](N[C@@H](CCO)c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000746049704 575428895 /nfs/dbraw/zinc/42/88/95/575428895.db2.gz WGKNGDSYDQJUAF-AAEUAGOBSA-N 0 1 306.387 3.431 20 5 DGBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1O ZINC000750537448 575737765 /nfs/dbraw/zinc/73/77/65/575737765.db2.gz WMPNFJAMZOQBMI-UHFFFAOYSA-N 0 1 324.695 3.023 20 5 DGBDMN Cc1nn(CN2CC[C@@H](c3ccccc3C)C2)c(C)c1[N+](=O)[O-] ZINC000725777820 575911999 /nfs/dbraw/zinc/91/19/99/575911999.db2.gz HCQXMMMPYBBSQD-OAHLLOKOSA-N 0 1 314.389 3.164 20 5 DGBDMN CC1=NO[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000895311758 618593055 /nfs/dbraw/zinc/59/30/55/618593055.db2.gz QXSGWSQCZSHVMP-CYBMUJFWSA-N 0 1 315.329 3.109 20 5 DGBDMN CC[C@@H](CC(F)(F)F)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893597375 618613504 /nfs/dbraw/zinc/61/35/04/618613504.db2.gz JQTYSSBYUYXHRI-VIFPVBQESA-N 0 1 322.283 3.130 20 5 DGBDMN O=C(O[C@H](c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000893658754 618633938 /nfs/dbraw/zinc/63/39/38/618633938.db2.gz JNJCOEJVCMIVDF-OPRDCNLKSA-N 0 1 323.654 3.152 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CC[C@H](C3CC3)O2)c1 ZINC000897510866 619142403 /nfs/dbraw/zinc/14/24/03/619142403.db2.gz CGBPUWGJOJZZAX-UKRRQHHQSA-N 0 1 310.781 3.295 20 5 DGBDMN Cc1ccc(-c2noc([C@@H]3CCCN3C(C)C)n2)cc1[N+](=O)[O-] ZINC000923821707 619149475 /nfs/dbraw/zinc/14/94/75/619149475.db2.gz RBKAJYMIRIKNIX-ZDUSSCGKSA-N 0 1 316.361 3.499 20 5 DGBDMN CC(C)C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)C(=O)[O-] ZINC000901840959 619551585 /nfs/dbraw/zinc/55/15/85/619551585.db2.gz RZVLHDQKTKKQSN-UHFFFAOYSA-N 0 1 314.407 3.225 20 5 DGBDMN COc1cc([C@H](C)N[C@H](C)c2cccnc2)cc([N+](=O)[O-])c1 ZINC000903058814 619707639 /nfs/dbraw/zinc/70/76/39/619707639.db2.gz UGDNIEVDACUCPE-NEPJUHHUSA-N 0 1 301.346 3.410 20 5 DGBDMN Cc1c([C@H](C)NCc2cc(N(C)C)ccn2)cccc1[N+](=O)[O-] ZINC000903201766 619736147 /nfs/dbraw/zinc/73/61/47/619736147.db2.gz MUGGBOKDNHBRCS-ZDUSSCGKSA-N 0 1 314.389 3.215 20 5 DGBDMN COc1cc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903211292 619739347 /nfs/dbraw/zinc/73/93/47/619739347.db2.gz FTKCTIVSAZTRFY-NZXMKCKXSA-N 0 1 304.268 3.205 20 5 DGBDMN CC(C)n1cc([C@@H](C)NC[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903244926 619743589 /nfs/dbraw/zinc/74/35/89/619743589.db2.gz GODQWBODZHJULW-QWHCGFSZSA-N 0 1 317.393 3.222 20 5 DGBDMN Cc1c(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000903952433 619845976 /nfs/dbraw/zinc/84/59/76/619845976.db2.gz XZGLISMXSCYJEY-DZJQYVJYSA-N 0 1 320.389 3.223 20 5 DGBDMN CN[C@@H](CC(C)C)c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000904098122 619874892 /nfs/dbraw/zinc/87/48/92/619874892.db2.gz OMDLQCMMDFTUHL-ZDUSSCGKSA-N 0 1 318.377 3.184 20 5 DGBDMN CC(C)N(C(=O)[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905852854 620037730 /nfs/dbraw/zinc/03/77/30/620037730.db2.gz NOPGYFHPBABEJE-ZIAGYGMSSA-N 0 1 321.421 3.279 20 5 DGBDMN C[C@@H](NCc1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000921552929 620907593 /nfs/dbraw/zinc/90/75/93/620907593.db2.gz OIIHYYADYXBFJQ-GFCCVEGCSA-N 0 1 300.362 3.367 20 5 DGBDMN CC(C)Cn1nccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537180 621052172 /nfs/dbraw/zinc/05/21/72/621052172.db2.gz AGQIZQZSCYXFID-CYBMUJFWSA-N 0 1 302.378 3.298 20 5 DGBDMN COCCc1ncc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000922540870 621053368 /nfs/dbraw/zinc/05/33/68/621053368.db2.gz MEUNFCPMESUFED-LLVKDONJSA-N 0 1 321.402 3.091 20 5 DGBDMN Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC000839700477 621709338 /nfs/dbraw/zinc/70/93/38/621709338.db2.gz SCKDANYFCCDZHD-OWCLPIDISA-N 0 1 302.374 3.022 20 5 DGBDMN C[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc([N+](=O)[O-])c1 ZINC000757881234 621744761 /nfs/dbraw/zinc/74/47/61/621744761.db2.gz OHYGZDTZXPULHV-ZWNOBZJWSA-N 0 1 315.329 3.042 20 5 DGBDMN CCc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2C(F)F)n1 ZINC000865427439 621918438 /nfs/dbraw/zinc/91/84/38/621918438.db2.gz FVYFFEXVPLLZCY-UHFFFAOYSA-N 0 1 300.290 3.364 20 5 DGBDMN CCc1nc(Sc2ccc([N+](=O)[O-])cc2C(F)F)n[nH]1 ZINC000865427439 621918440 /nfs/dbraw/zinc/91/84/40/621918440.db2.gz FVYFFEXVPLLZCY-UHFFFAOYSA-N 0 1 300.290 3.364 20 5 DGBDMN Cc1nn(CN2CCCC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289897 621999621 /nfs/dbraw/zinc/99/96/21/621999621.db2.gz CXCWVSIPLNKIKD-UHFFFAOYSA-N 0 1 302.378 3.332 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000761516112 622014212 /nfs/dbraw/zinc/01/42/12/622014212.db2.gz ZBOJYWVEZLAQPE-KBPBESRZSA-N 0 1 324.808 3.497 20 5 DGBDMN CCC(=O)c1ccc(N2CCN(C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866112467 622047549 /nfs/dbraw/zinc/04/75/49/622047549.db2.gz 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Cc1cc([C@@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000281946002 433435735 /nfs/dbraw/zinc/43/57/35/433435735.db2.gz BTLPOJHBATUZLY-LLVKDONJSA-N 0 1 322.796 3.183 20 5 DGBDMN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000339196130 289981238 /nfs/dbraw/zinc/98/12/38/289981238.db2.gz UOVSOFOBVBSZJW-JTQLQIEISA-N 0 1 312.329 3.028 20 5 DGBDMN Cc1c(NC(=O)[C@H](C)N2CCC(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000339252783 433466767 /nfs/dbraw/zinc/46/67/67/433466767.db2.gz HKFOYUNOGHXTFE-ZDUSSCGKSA-N 0 1 319.405 3.352 20 5 DGBDMN CC[C@@H](C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000421368876 433509052 /nfs/dbraw/zinc/50/90/52/433509052.db2.gz BYYHDMZYQUFWIY-IUODEOHRSA-N 0 1 302.378 3.053 20 5 DGBDMN CSc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339398534 433557042 /nfs/dbraw/zinc/55/70/42/433557042.db2.gz VUFKXLOMRMSXKY-JTQLQIEISA-N 0 1 322.390 3.413 20 5 DGBDMN Cc1cc(N[C@H](C)c2n[nH]c(C(C)C)n2)c(F)cc1[N+](=O)[O-] ZINC000292504511 433569874 /nfs/dbraw/zinc/56/98/74/433569874.db2.gz FZFTVDKPPANWMX-SECBINFHSA-N 0 1 307.329 3.457 20 5 DGBDMN O=[N+]([O-])c1ccc(CN(C2CCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000292510882 433577370 /nfs/dbraw/zinc/57/73/70/433577370.db2.gz VLCSAMSAMSLGKT-UHFFFAOYSA-N 0 1 305.334 3.410 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1F ZINC000282393203 433594439 /nfs/dbraw/zinc/59/44/39/433594439.db2.gz DSPCEBIIUGNCSU-MRXNPFEDSA-N 0 1 308.353 3.125 20 5 DGBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292308683 433547383 /nfs/dbraw/zinc/54/73/83/433547383.db2.gz DPBLPBHJBUEOHP-BDJLRTHQSA-N 0 1 318.398 3.448 20 5 DGBDMN O=[N+]([O-])c1ccc(NCCc2nc3ccc(F)cc3[nH]2)c(F)c1 ZINC000301524263 433596710 /nfs/dbraw/zinc/59/67/10/433596710.db2.gz IFVCLOABIJFHGI-UHFFFAOYSA-N 0 1 318.283 3.404 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000456340237 433600414 /nfs/dbraw/zinc/60/04/14/433600414.db2.gz OLZCVBVMXZNYAU-RISCZKNCSA-N 0 1 322.409 3.194 20 5 DGBDMN Cc1c([C@H](C)N[C@@H]2CCCc3nn(C)cc32)cccc1[N+](=O)[O-] ZINC000282426080 433606919 /nfs/dbraw/zinc/60/69/19/433606919.db2.gz MBSWXTXMWGHOAJ-SWLSCSKDSA-N 0 1 314.389 3.365 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000414485403 433652133 /nfs/dbraw/zinc/65/21/33/433652133.db2.gz LHERCCXUAIXWMI-LVJUENIKSA-N 0 1 324.380 3.416 20 5 DGBDMN O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](C4CC4)C3)co2)cc1 ZINC000367046139 293016432 /nfs/dbraw/zinc/01/64/32/293016432.db2.gz SYQXBQBOMAEYAW-AWEZNQCLSA-N 0 1 313.357 3.482 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CC1CC1)c1ccccc1 ZINC000356960875 433785356 /nfs/dbraw/zinc/78/53/56/433785356.db2.gz SAFNUKQPVQTNGO-UHFFFAOYSA-N 0 1 312.325 3.357 20 5 DGBDMN CC[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000302142708 433813990 /nfs/dbraw/zinc/81/39/90/433813990.db2.gz FWWFOFXILUWPDE-OCCSQVGLSA-N 0 1 315.373 3.455 20 5 DGBDMN Cc1cc(N2CC[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302066020 433814480 /nfs/dbraw/zinc/81/44/80/433814480.db2.gz FDYRLYRTOLFBEW-QGZVFWFLSA-N 0 1 313.357 3.068 20 5 DGBDMN Cc1ccc(CNCc2ccnc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000284115810 433835493 /nfs/dbraw/zinc/83/54/93/433835493.db2.gz SVTZFDYWENAHEC-UHFFFAOYSA-N 0 1 323.299 3.189 20 5 DGBDMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293695755 433835901 /nfs/dbraw/zinc/83/59/01/433835901.db2.gz LDGKDJZEEIGEFW-ZUZCIYMTSA-N 0 1 313.357 3.221 20 5 DGBDMN CO[C@@H](C)CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293734058 433847124 /nfs/dbraw/zinc/84/71/24/433847124.db2.gz ZOKGSFCAXFYXTB-VIFPVBQESA-N 0 1 306.284 3.080 20 5 DGBDMN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000422552688 433918221 /nfs/dbraw/zinc/91/82/21/433918221.db2.gz RBRWPCGQAJWVHL-LBPRGKRZSA-N 0 1 304.350 3.308 20 5 DGBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1CCC1CCCC1 ZINC000362959789 433931212 /nfs/dbraw/zinc/93/12/12/433931212.db2.gz FBYHBLORMQGLGB-CQSZACIVSA-N 0 1 306.410 3.263 20 5 DGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]1c1ccccc1 ZINC000363027155 433953376 /nfs/dbraw/zinc/95/33/76/433953376.db2.gz VIIXLWYUSVBOJX-HNNXBMFYSA-N 0 1 322.324 3.058 20 5 DGBDMN Cn1ccnc1[C@@H](NCCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353388906 434100035 /nfs/dbraw/zinc/10/00/35/434100035.db2.gz SPLYUCIFCOQPQH-HNNXBMFYSA-N 0 1 316.405 3.444 20 5 DGBDMN CC(C)(NCc1cnc(C2CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000459479860 293978078 /nfs/dbraw/zinc/97/80/78/293978078.db2.gz MVAQOMQQVFJIMX-UHFFFAOYSA-N 0 1 312.373 3.287 20 5 DGBDMN Cn1ccnc1[C@H](NC[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353399115 434108668 /nfs/dbraw/zinc/10/86/68/434108668.db2.gz BJGSKLVCRRRDHT-DZGCQCFKSA-N 0 1 314.389 3.053 20 5 DGBDMN CCc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1C ZINC000507395115 294296858 /nfs/dbraw/zinc/29/68/58/294296858.db2.gz WTOXXPVZAWAUKA-UHFFFAOYSA-N 0 1 300.314 3.424 20 5 DGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC4CCC3CC4)n2)cc1 ZINC000378382950 434162065 /nfs/dbraw/zinc/16/20/65/434162065.db2.gz IEGMXJHQRBAJSQ-UHFFFAOYSA-N 0 1 314.345 3.019 20 5 DGBDMN Cc1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000295106890 434202768 /nfs/dbraw/zinc/20/27/68/434202768.db2.gz UJTVXJZMFHCYNS-KRWDZBQOSA-N 0 1 300.358 3.069 20 5 DGBDMN CC(=O)c1cc(NC[C@@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000287866807 434468243 /nfs/dbraw/zinc/46/82/43/434468243.db2.gz SWVYFXJTCXRUQV-HNNXBMFYSA-N 0 1 317.389 3.226 20 5 DGBDMN CC[C@@H](NCc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000353864756 434486977 /nfs/dbraw/zinc/48/69/77/434486977.db2.gz JIDRJIYPNDNSMS-MRXNPFEDSA-N 0 1 310.357 3.483 20 5 DGBDMN Cc1c([C@@H](C)NCc2cnn3ccccc23)cccc1[N+](=O)[O-] ZINC000353936497 434537186 /nfs/dbraw/zinc/53/71/86/434537186.db2.gz ZBGVTXNJVXSTGG-CYBMUJFWSA-N 0 1 310.357 3.402 20 5 DGBDMN CCc1cc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)on1 ZINC000527038713 295072913 /nfs/dbraw/zinc/07/29/13/295072913.db2.gz NACHWYQCICPKNM-GHXNOFRVSA-N 0 1 301.346 3.338 20 5 DGBDMN CC1(C)CCC[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000360856294 434712861 /nfs/dbraw/zinc/71/28/61/434712861.db2.gz YJHSZLNSNVWPFN-JTQLQIEISA-N 0 1 316.361 3.027 20 5 DGBDMN COCCCCN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419378898 434781885 /nfs/dbraw/zinc/78/18/85/434781885.db2.gz FFGLDIDGJKSSML-UHFFFAOYSA-N 0 1 319.361 3.108 20 5 DGBDMN Cc1c(CN2C[C@H](O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411956527 434847404 /nfs/dbraw/zinc/84/74/04/434847404.db2.gz WDPXDZBPQKXEGB-AEFFLSMTSA-N 0 1 312.369 3.211 20 5 DGBDMN C[C@H](CCC(C)(C)C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000522913631 434935247 /nfs/dbraw/zinc/93/52/47/434935247.db2.gz VZSCUKJJSRWLAD-SNVBAGLBSA-N 0 1 318.377 3.416 20 5 DGBDMN O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1O ZINC000492250300 434942363 /nfs/dbraw/zinc/94/23/63/434942363.db2.gz SNZNABQYTDLLDH-YVMONPNESA-N 0 1 302.261 3.091 20 5 DGBDMN CCCC[N@@H+](C)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000578196140 435066966 /nfs/dbraw/zinc/06/69/66/435066966.db2.gz ZZWIKLJFAVYRRO-LBPRGKRZSA-N 0 1 323.393 3.134 20 5 DGBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cn1 ZINC000558742154 435109252 /nfs/dbraw/zinc/10/92/52/435109252.db2.gz XGHFDIXZRNJPFG-UHFFFAOYSA-N 0 1 305.765 3.318 20 5 DGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579067443 435129488 /nfs/dbraw/zinc/12/94/88/435129488.db2.gz LTQVWDMHFZZSHM-ZETCQYMHSA-N 0 1 324.287 3.306 20 5 DGBDMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000579142310 435135289 /nfs/dbraw/zinc/13/52/89/435135289.db2.gz MHFAQKOAWAYLRD-ZBFHGGJFSA-N 0 1 320.389 3.418 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)CCC[C@H]1C ZINC000532582151 435178872 /nfs/dbraw/zinc/17/88/72/435178872.db2.gz KOBUKJONWPENAK-GXTWGEPZSA-N 0 1 319.405 3.352 20 5 DGBDMN COC(=O)Nc1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000496648853 435236895 /nfs/dbraw/zinc/23/68/95/435236895.db2.gz JDFLDJHYTNOKSC-UHFFFAOYSA-N 0 1 315.329 3.063 20 5 DGBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000536668891 435402516 /nfs/dbraw/zinc/40/25/16/435402516.db2.gz IHJXELPSZKZYLT-AOOOYVTPSA-N 0 1 300.305 3.284 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1CSc1nc(C(C)(C)C)n[nH]1 ZINC000485377589 435565766 /nfs/dbraw/zinc/56/57/66/435565766.db2.gz MEXAQZVDYPLVAR-UHFFFAOYSA-N 0 1 322.390 3.311 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1CSc1n[nH]c(C(C)(C)C)n1 ZINC000485377589 435565772 /nfs/dbraw/zinc/56/57/72/435565772.db2.gz MEXAQZVDYPLVAR-UHFFFAOYSA-N 0 1 322.390 3.311 20 5 DGBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000540932974 435626043 /nfs/dbraw/zinc/62/60/43/435626043.db2.gz RHYQAFBWLFCSDW-HFBAOOFYSA-N 0 1 318.373 3.341 20 5 DGBDMN COCCN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487965740 435630738 /nfs/dbraw/zinc/63/07/38/435630738.db2.gz URODLFBCPWPYAB-IUODEOHRSA-N 0 1 310.369 3.371 20 5 DGBDMN Cc1cccc2c1CC[C@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000543737924 314154793 /nfs/dbraw/zinc/15/47/93/314154793.db2.gz KWFWAZHIRJWSJN-MRXNPFEDSA-N 0 1 312.325 3.026 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CC1CC1)C1CCCCC1 ZINC000548121096 314423628 /nfs/dbraw/zinc/42/36/28/314423628.db2.gz WMRWUWRLZVFTHY-UHFFFAOYSA-N 0 1 318.373 3.485 20 5 DGBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](CCO)c1ccccc1 ZINC000577962764 316289627 /nfs/dbraw/zinc/28/96/27/316289627.db2.gz FFKKMJXXNRQBIX-IAGOWNOFSA-N 0 1 312.369 3.295 20 5 DGBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1COCc2ccccc21 ZINC000580216418 323973647 /nfs/dbraw/zinc/97/36/47/323973647.db2.gz XPKZILGLYLXFEL-IAGOWNOFSA-N 0 1 310.353 3.443 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000580560929 324012183 /nfs/dbraw/zinc/01/21/83/324012183.db2.gz DSCOAQXHDABWBN-CXAGYDPISA-N 0 1 320.389 3.397 20 5 DGBDMN C[C@@H](CC1CCCCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000584152302 331844545 /nfs/dbraw/zinc/84/45/45/331844545.db2.gz SRJOJCRWZGYMOC-NSHDSACASA-N 0 1 306.362 3.389 20 5 DGBDMN Cc1cccc2nc(CCC(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c21 ZINC000178849051 534771888 /nfs/dbraw/zinc/77/18/88/534771888.db2.gz CONGZIMLBUKJJW-UHFFFAOYSA-N 0 1 324.340 3.351 20 5 DGBDMN CC(C)C1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000444202597 527653639 /nfs/dbraw/zinc/65/36/39/527653639.db2.gz XDNPUGLTKGDMEQ-ZDUSSCGKSA-N 0 1 319.405 3.290 20 5 DGBDMN CCCCOC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430238098 528571854 /nfs/dbraw/zinc/57/18/54/528571854.db2.gz JSJMHHLODUMWTQ-UHFFFAOYSA-N 0 1 322.405 3.385 20 5 DGBDMN CC(C)C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000330770060 528588089 /nfs/dbraw/zinc/58/80/89/528588089.db2.gz ASJXFXTUERUOTO-GFCCVEGCSA-N 0 1 306.362 3.199 20 5 DGBDMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000429292843 529115481 /nfs/dbraw/zinc/11/54/81/529115481.db2.gz YIFZUANCIHJLDO-LSDHHAIUSA-N 0 1 310.369 3.417 20 5 DGBDMN Cc1ccc([C@@H](C)NCc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000459419031 546892048 /nfs/dbraw/zinc/89/20/48/546892048.db2.gz GXPRTQTXCQTWBX-GFCCVEGCSA-N 0 1 312.373 3.421 20 5 DGBDMN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000731678710 574556938 /nfs/dbraw/zinc/55/69/38/574556938.db2.gz OJSBERFAYPVGBT-HFBAOOFYSA-N 0 1 316.357 3.134 20 5 DGBDMN CC[C@@H](Cc1ccc(C)cc1)N(CC)Cn1nccc1[N+](=O)[O-] ZINC000742178567 574983770 /nfs/dbraw/zinc/98/37/70/574983770.db2.gz XCZCIHBRSZNTSV-INIZCTEOSA-N 0 1 316.405 3.400 20 5 DGBDMN C[C@H](N[C@@H](CCO)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000746049151 575428738 /nfs/dbraw/zinc/42/87/38/575428738.db2.gz LDBDNUMUJDRVLR-FZMZJTMJSA-N 0 1 306.387 3.431 20 5 DGBDMN CC[C@H](O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669484 575468458 /nfs/dbraw/zinc/46/84/58/575468458.db2.gz DJSJUJQCPUALQY-GJZGRUSLSA-N 0 1 312.797 3.374 20 5 DGBDMN CCCCN(CCOC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746674315 575468753 /nfs/dbraw/zinc/46/87/53/575468753.db2.gz UKVVNPKMJCRMEE-UHFFFAOYSA-N 0 1 300.786 3.497 20 5 DGBDMN CO[C@H](C)CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746676070 575469619 /nfs/dbraw/zinc/46/96/19/575469619.db2.gz 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/nfs/dbraw/zinc/46/40/40/435464040.db2.gz DYGCNSIORZFBST-SNVBAGLBSA-N 0 1 300.305 3.428 20 5 DGBDMN CCCC[C@@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568450304 435437818 /nfs/dbraw/zinc/43/78/18/435437818.db2.gz SEPRMAWJBFZALI-GFCCVEGCSA-N 0 1 323.393 3.052 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC000483102040 435494552 /nfs/dbraw/zinc/49/45/52/435494552.db2.gz VWNCYACGRPWGNO-ZDUSSCGKSA-N 0 1 319.405 3.352 20 5 DGBDMN CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000571765694 435734580 /nfs/dbraw/zinc/73/45/80/435734580.db2.gz DWMPIPAXSIFGEB-GFCCVEGCSA-N 0 1 323.393 3.134 20 5 DGBDMN CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCC(C(=O)[O-])CC1 ZINC000572060588 435775956 /nfs/dbraw/zinc/77/59/56/435775956.db2.gz QALUFRIQMUPPSL-UHFFFAOYSA-N 0 1 312.391 3.122 20 5 DGBDMN CCO[C@H]1C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000572804901 435866952 /nfs/dbraw/zinc/86/69/52/435866952.db2.gz LOWOBHKDQHNQDF-HOCLYGCPSA-N 0 1 302.330 3.122 20 5 DGBDMN C[C@@H](NCC(=O)NC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539281134 313906207 /nfs/dbraw/zinc/90/62/07/313906207.db2.gz QVLFZPIHLVFZEF-CYBMUJFWSA-N 0 1 319.405 3.084 20 5 DGBDMN Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000543737923 314154737 /nfs/dbraw/zinc/15/47/37/314154737.db2.gz KWFWAZHIRJWSJN-INIZCTEOSA-N 0 1 312.325 3.026 20 5 DGBDMN CCCC[C@H](C)N(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000576151771 316099904 /nfs/dbraw/zinc/09/99/04/316099904.db2.gz LVTSTKXTCPHKMQ-LBPRGKRZSA-N 0 1 323.393 3.052 20 5 DGBDMN CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC(C(=O)[O-])CC1 ZINC000576242376 316110029 /nfs/dbraw/zinc/11/00/29/316110029.db2.gz XQKFQVCXOZJNCF-UHFFFAOYSA-N 0 1 306.362 3.060 20 5 DGBDMN CCO[C@H]1C[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000577693150 316259789 /nfs/dbraw/zinc/25/97/89/316259789.db2.gz CFZDOJNEOZIZNK-ZBFHGGJFSA-N 0 1 302.330 3.122 20 5 DGBDMN Cc1cnn(-c2ccncc2NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000182669011 323308548 /nfs/dbraw/zinc/30/85/48/323308548.db2.gz OIFOQUDWYRAMBY-UHFFFAOYSA-N 0 1 323.356 3.404 20 5 DGBDMN CCC[C@@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185879297 323397971 /nfs/dbraw/zinc/39/79/71/323397971.db2.gz QVTJOQNXMVIPSC-OAHLLOKOSA-N 0 1 319.405 3.212 20 5 DGBDMN CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCC(C(=O)[O-])CC1 ZINC000582371948 324222786 /nfs/dbraw/zinc/22/27/86/324222786.db2.gz RDQVUSLMVDBWAY-UHFFFAOYSA-N 0 1 306.362 3.060 20 5 DGBDMN C[C@@H]1C[C@H](C)CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444659904 533780736 /nfs/dbraw/zinc/78/07/36/533780736.db2.gz FJVUWXMWVJPVIJ-VXGBXAGGSA-N 0 1 302.378 3.339 20 5 DGBDMN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000449392624 536508084 /nfs/dbraw/zinc/50/80/84/536508084.db2.gz JWLAFQBARFOUBX-MRXNPFEDSA-N 0 1 318.348 3.081 20 5 DGBDMN CC1(C)C[C@H](O)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000294697245 527752097 /nfs/dbraw/zinc/75/20/97/527752097.db2.gz AOEUGQMXCCBYEB-CYBMUJFWSA-N 0 1 312.797 3.231 20 5 DGBDMN CC1(C)CCCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444672475 528914020 /nfs/dbraw/zinc/91/40/20/528914020.db2.gz JZBQJNFKTYNRCK-UHFFFAOYSA-N 0 1 302.378 3.483 20 5 DGBDMN CCC1(CC)[C@H](NCc2c(F)cccc2[N+](=O)[O-])C[C@H]1OC ZINC000429292841 529109258 /nfs/dbraw/zinc/10/92/58/529109258.db2.gz YIFZUANCIHJLDO-HUUCEWRRSA-N 0 1 310.369 3.417 20 5 DGBDMN CC[C@H](c1ccccc1)N(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299547380 529181415 /nfs/dbraw/zinc/18/14/15/529181415.db2.gz INTLMOFXXKUGLC-CYBMUJFWSA-N 0 1 316.361 3.240 20 5 DGBDMN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732568738 574576038 /nfs/dbraw/zinc/57/60/38/574576038.db2.gz JMPZGWTZENAUDI-SSDOTTSWSA-N 0 1 320.740 3.031 20 5 DGBDMN CC[C@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000744361477 575338508 /nfs/dbraw/zinc/33/85/08/575338508.db2.gz MCBBWRWECNRQJQ-IUODEOHRSA-N 0 1 308.378 3.319 20 5 DGBDMN C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)N1[C@H](C)CC[C@@H]1C ZINC000746985947 575488410 /nfs/dbraw/zinc/48/84/10/575488410.db2.gz TZXOQAVMAIJJRM-GRYCIOLGSA-N 0 1 324.352 3.038 20 5 DGBDMN CC[C@](C)(CC(=O)OC)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000748247242 575575047 /nfs/dbraw/zinc/57/50/47/575575047.db2.gz SCIZBOPXYIRZNK-CQSZACIVSA-N 0 1 314.769 3.070 20 5 DGBDMN C[C@H](OC(=O)c1cccc2[nH]ncc21)c1ccccc1[N+](=O)[O-] ZINC000749056418 575624073 /nfs/dbraw/zinc/62/40/73/575624073.db2.gz OJNXPHJUAZKYAJ-JTQLQIEISA-N 0 1 311.297 3.389 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000750252420 575714598 /nfs/dbraw/zinc/71/45/98/575714598.db2.gz KGRJHUDSAZXKKK-VXGBXAGGSA-N 0 1 310.781 3.107 20 5 DGBDMN Cc1nn(CN2CC[C@H](c3ccccc3C)C2)c(C)c1[N+](=O)[O-] ZINC000725777816 575911663 /nfs/dbraw/zinc/91/16/63/575911663.db2.gz HCQXMMMPYBBSQD-HNNXBMFYSA-N 0 1 314.389 3.164 20 5 DGBDMN C[C@@H]1CCCCCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853499760 620702467 /nfs/dbraw/zinc/70/24/67/620702467.db2.gz UGAKBWONWLSXNL-CYBMUJFWSA-N 0 1 315.377 3.075 20 5 DGBDMN CN(Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000804813103 617674955 /nfs/dbraw/zinc/67/49/55/617674955.db2.gz WQQPFXRWVFAFQC-UHFFFAOYSA-N 0 1 315.348 3.055 20 5 DGBDMN COc1c(O)ccc(CN[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000892433132 618065325 /nfs/dbraw/zinc/06/53/25/618065325.db2.gz SCAMKZCQJAPXFE-LLVKDONJSA-N 0 1 302.330 3.160 20 5 DGBDMN CCc1ccccc1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893036061 618399921 /nfs/dbraw/zinc/39/99/21/618399921.db2.gz FDRZIYLBFYDVPM-UHFFFAOYSA-N 0 1 316.357 3.161 20 5 DGBDMN CO[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000777008270 618532740 /nfs/dbraw/zinc/53/27/40/618532740.db2.gz FSWXSYYGEIOXAE-SKDRFNHKSA-N 0 1 306.284 3.131 20 5 DGBDMN CC1=NO[C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000895311760 618592798 /nfs/dbraw/zinc/59/27/98/618592798.db2.gz QXSGWSQCZSHVMP-ZDUSSCGKSA-N 0 1 315.329 3.109 20 5 DGBDMN Cc1cc(N2CCO[C@H](C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000895759539 618828089 /nfs/dbraw/zinc/82/80/89/618828089.db2.gz IYUUYJBESAWTKQ-GFCCVEGCSA-N 0 1 301.346 3.067 20 5 DGBDMN Cc1nc2c(o1)CCC[C@@H]2NCCc1ccccc1[N+](=O)[O-] ZINC000925153432 619054672 /nfs/dbraw/zinc/05/46/72/619054672.db2.gz LJMGQHXNEBBNKD-ZDUSSCGKSA-N 0 1 301.346 3.101 20 5 DGBDMN Cc1ccc(-c2noc([C@H]3CCCN3C(C)C)n2)cc1[N+](=O)[O-] ZINC000923821701 619149565 /nfs/dbraw/zinc/14/95/65/619149565.db2.gz RBKAJYMIRIKNIX-CYBMUJFWSA-N 0 1 316.361 3.499 20 5 DGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901695688 619534410 /nfs/dbraw/zinc/53/44/10/619534410.db2.gz KXNMMCKFUXCXEV-VEMDQMBVSA-N 0 1 318.373 3.185 20 5 DGBDMN O=C([O-])C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000902038927 619579318 /nfs/dbraw/zinc/57/93/18/619579318.db2.gz UFSUDOXBGDRMKI-UHFFFAOYSA-N 0 1 312.753 3.077 20 5 DGBDMN COc1cc([C@H](C)NCc2cnc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000903185257 619732494 /nfs/dbraw/zinc/73/24/94/619732494.db2.gz CGSHZSYLPAXSCV-ZDUSSCGKSA-N 0 1 315.373 3.466 20 5 DGBDMN CCCn1cc([C@@H](C)NC[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903245869 619743986 /nfs/dbraw/zinc/74/39/86/619743986.db2.gz PLQOCPWCLAMMKJ-QWHCGFSZSA-N 0 1 317.393 3.051 20 5 DGBDMN Cc1c(CN[C@H](CCO)c2cccs2)cccc1[N+](=O)[O-] ZINC000754391622 620554452 /nfs/dbraw/zinc/55/44/52/620554452.db2.gz ZRKJSHZIPGSFHR-CYBMUJFWSA-N 0 1 306.387 3.178 20 5 DGBDMN CCN(C)c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000922538365 621052131 /nfs/dbraw/zinc/05/21/31/621052131.db2.gz QNIDEPIKUKBNQF-CYBMUJFWSA-N 0 1 314.389 3.297 20 5 DGBDMN Cc1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1[N+](=O)[O-] ZINC000922988151 621144537 /nfs/dbraw/zinc/14/45/37/621144537.db2.gz LLSXCUDNZHOCAG-MSOLQXFVSA-N 0 1 312.369 3.041 20 5 DGBDMN Cc1nn(CN2CCS[C@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000754872592 621538605 /nfs/dbraw/zinc/53/86/05/621538605.db2.gz NHEBABVELWYCAG-LLVKDONJSA-N 0 1 320.418 3.038 20 5 DGBDMN Cc1nc(CN[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866240052 622073933 /nfs/dbraw/zinc/07/39/33/622073933.db2.gz WLARMHCFZVMMPR-SECBINFHSA-N 0 1 309.366 3.220 20 5 DGBDMN Cc1cnc(CN[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866274375 622082492 /nfs/dbraw/zinc/08/24/92/622082492.db2.gz JVEVOEQLROBHOR-VIFPVBQESA-N 0 1 309.366 3.220 20 5 DGBDMN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(O)c(Cl)c1 ZINC000762831994 622103622 /nfs/dbraw/zinc/10/36/22/622103622.db2.gz UDYDDOOKLQSWAY-UHFFFAOYSA-N 0 1 313.718 3.372 20 5 DGBDMN CCOc1ccc([C@H](C)NCc2ccnc(F)c2)cc1[N+](=O)[O-] ZINC000866472887 622123730 /nfs/dbraw/zinc/12/37/30/622123730.db2.gz GBRLBMABSJKDLD-NSHDSACASA-N 0 1 319.336 3.378 20 5 DGBDMN CC(C)CCC[C@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942836 622195365 /nfs/dbraw/zinc/19/53/65/622195365.db2.gz GZGRTLLUFZKYTE-SUMWQHHRSA-N 0 1 321.421 3.100 20 5 DGBDMN CC(C)CCC[C@H](C)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942835 622195456 /nfs/dbraw/zinc/19/54/56/622195456.db2.gz GZGRTLLUFZKYTE-GUYCJALGSA-N 0 1 321.421 3.100 20 5 DGBDMN CCc1ccc2c(c1)[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 ZINC000765738326 622284880 /nfs/dbraw/zinc/28/48/80/622284880.db2.gz LTPZEMYXUYUGDV-CQSZACIVSA-N 0 1 316.313 3.166 20 5 DGBDMN Cc1nn(CN2CC[C@@H](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000766376338 622325221 /nfs/dbraw/zinc/32/52/21/622325221.db2.gz ZMOAVYCHUGYWKX-NEPJUHHUSA-N 0 1 302.378 3.188 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](O)c1ccc(F)cc1 ZINC000767717732 622418505 /nfs/dbraw/zinc/41/85/05/622418505.db2.gz MTOLGHGDKIMTKW-HNNXBMFYSA-N 0 1 324.739 3.211 20 5 DGBDMN C[C@H](NC[C@H](c1ccco1)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017616 622753434 /nfs/dbraw/zinc/75/34/34/622753434.db2.gz CZFAZDLOWIFECH-SMDDNHRTSA-N 0 1 321.352 3.280 20 5 DGBDMN Cc1nc(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872021431 622756487 /nfs/dbraw/zinc/75/64/87/622756487.db2.gz QLHVNFLVTOHQQF-SECBINFHSA-N 0 1 309.366 3.392 20 5 DGBDMN C[C@@H](NCCCNc1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041810 622769536 /nfs/dbraw/zinc/76/95/36/622769536.db2.gz KZQNAYYYIPRAPO-GFCCVEGCSA-N 0 1 318.352 3.282 20 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CC(C)N(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000025952638 400248578 /nfs/dbraw/zinc/24/85/78/400248578.db2.gz XSRRRYJUAFTDBK-UHFFFAOYSA-N 0 1 302.334 3.018 20 5 DGBDMN CC[C@@H](C)[N@@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595592672 400196335 /nfs/dbraw/zinc/19/63/35/400196335.db2.gz IHDUEWRSAKPFGQ-LLVKDONJSA-N 0 1 304.350 3.265 20 5 DGBDMN CC[C@@H](C)N(CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595592672 400196341 /nfs/dbraw/zinc/19/63/41/400196341.db2.gz IHDUEWRSAKPFGQ-LLVKDONJSA-N 0 1 304.350 3.265 20 5 DGBDMN CC[C@@H](C)N(CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595598997 400198975 /nfs/dbraw/zinc/19/89/75/400198975.db2.gz JFDPEBKOGOJIKU-LLVKDONJSA-N 0 1 304.350 3.265 20 5 DGBDMN CC[C@H](C)N(CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595598998 400199130 /nfs/dbraw/zinc/19/91/30/400199130.db2.gz JFDPEBKOGOJIKU-NSHDSACASA-N 0 1 304.350 3.265 20 5 DGBDMN CCC[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000030269487 400322914 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CC[C@@H](C)N(CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017727 626968986 /nfs/dbraw/zinc/96/89/86/626968986.db2.gz HWARKYVHEXXLDG-SECBINFHSA-N 0 1 321.204 3.494 20 5 DGBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1C[C@@]12CCOC2 ZINC000886046857 627093073 /nfs/dbraw/zinc/09/30/73/627093073.db2.gz RAEBBOHEVJPEPE-IUODEOHRSA-N 0 1 310.781 3.107 20 5 DGBDMN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886243005 627126580 /nfs/dbraw/zinc/12/65/80/627126580.db2.gz LRWYAKGOFBPPAM-LBPRGKRZSA-N 0 1 303.337 3.192 20 5 DGBDMN Cc1ccccc1[C@@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000886431859 627148525 /nfs/dbraw/zinc/14/85/25/627148525.db2.gz ITOSKJKWCDHJFU-QGZVFWFLSA-N 0 1 300.358 3.069 20 5 DGBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1cccc2ccccc21 ZINC000840283392 627467640 /nfs/dbraw/zinc/46/76/40/627467640.db2.gz OHYIMBSVJSXCMP-IXDOHACOSA-N 0 1 310.353 3.169 20 5 DGBDMN O=C(Nc1cccc(Cl)c1SC(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840309259 627529737 /nfs/dbraw/zinc/52/97/37/627529737.db2.gz IBOGWTNLAMEVFT-SVGQVSJJSA-N 0 1 322.720 3.258 20 5 DGBDMN Cc1cc(-c2noc([C@@H]3CCCN3C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000924092770 627601090 /nfs/dbraw/zinc/60/10/90/627601090.db2.gz IAMCYCCAHMURRB-AWEZNQCLSA-N 0 1 316.361 3.499 20 5 DGBDMN O=C(C[C@H]1CCCC1(F)F)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000924336976 627630243 /nfs/dbraw/zinc/63/02/43/627630243.db2.gz PTYHDKWSEARBLE-SNVBAGLBSA-N 0 1 315.272 3.169 20 5 DGBDMN Cc1nc(C(C)C)ccc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000816241443 627760261 /nfs/dbraw/zinc/76/02/61/627760261.db2.gz TYCHBOYICOXFNX-UHFFFAOYSA-N 0 1 303.318 3.107 20 5 DGBDMN Cc1c(CN[C@@H](C)c2cccc3c2OCO3)cccc1[N+](=O)[O-] ZINC000926267871 627872468 /nfs/dbraw/zinc/87/24/68/627872468.db2.gz BDVDHHBQMPKTDS-LBPRGKRZSA-N 0 1 314.341 3.483 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](CCO)CC2)ccc1Cl ZINC000817297522 627879890 /nfs/dbraw/zinc/87/98/90/627879890.db2.gz RWPFIZOSQWLFLN-GFCCVEGCSA-N 0 1 312.797 3.233 20 5 DGBDMN CC(C)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000927068493 628007184 /nfs/dbraw/zinc/00/71/84/628007184.db2.gz RYINRQLKRFEWKJ-BLLLJJGKSA-N 0 1 302.378 3.376 20 5 DGBDMN C[C@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000927141306 628025389 /nfs/dbraw/zinc/02/53/89/628025389.db2.gz HRNNUGYFMLSUEB-RZAIGCCYSA-N 0 1 312.369 3.294 20 5 DGBDMN C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1(C(=O)[O-])CCCC1 ZINC000830825317 629308827 /nfs/dbraw/zinc/30/88/27/629308827.db2.gz PUEDCPBCFDRTKL-UHFFFAOYSA-N 0 1 312.753 3.077 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@]3(CCSC3)C2)cc1F ZINC000832510924 629491532 /nfs/dbraw/zinc/49/15/32/629491532.db2.gz IUABOVATESUXLA-HNNXBMFYSA-N 0 1 310.394 3.453 20 5 DGBDMN CC(C)c1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000833510305 629613961 /nfs/dbraw/zinc/61/39/61/629613961.db2.gz QSOKDCPDKGFQRA-CYBMUJFWSA-N 0 1 306.362 3.157 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2CCCCCCCC2)c1[N+](=O)[O-] ZINC000836925141 630188783 /nfs/dbraw/zinc/18/87/83/630188783.db2.gz WPWDBZMDFVUDFT-UHFFFAOYSA-N 0 1 308.382 3.238 20 5 DGBDMN CC(=O)[C@H](C)CCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837626544 630289005 /nfs/dbraw/zinc/28/90/05/630289005.db2.gz KGVVCUDMWKLRKY-LLVKDONJSA-N 0 1 323.345 3.129 20 5 DGBDMN CCN(CCSC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000842645341 630557775 /nfs/dbraw/zinc/55/77/75/630557775.db2.gz XGYGHUQOFBJDHQ-UHFFFAOYSA-N 0 1 320.418 3.101 20 5 DGBDMN COc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844437235 630729242 /nfs/dbraw/zinc/72/92/42/630729242.db2.gz JCJRZGXPGSUZLL-AWEZNQCLSA-N 0 1 312.316 3.225 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccncc3)C2)cc1F ZINC000846907458 631348732 /nfs/dbraw/zinc/34/87/32/631348732.db2.gz HJSUZJYZAHBYHQ-CQSZACIVSA-N 0 1 301.321 3.118 20 5 DGBDMN Cc1ccnc([C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)c1 ZINC000846970896 631369807 /nfs/dbraw/zinc/36/98/07/631369807.db2.gz BMXMYHUYJYCWGO-CYBMUJFWSA-N 0 1 315.348 3.427 20 5 DGBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(Cl)nc1 ZINC000848520458 631674310 /nfs/dbraw/zinc/67/43/10/631674310.db2.gz JHWVYAAHTBKHKE-CYBMUJFWSA-N 0 1 303.749 3.420 20 5 DGBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCC2(CC2)C1 ZINC000850207594 632079943 /nfs/dbraw/zinc/07/99/43/632079943.db2.gz YNKLIVHSQRTSNA-LLVKDONJSA-N 0 1 305.330 3.314 20 5 DGBDMN C[C@@H](CO)[C@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852425292 632602629 /nfs/dbraw/zinc/60/26/29/632602629.db2.gz JEQNUEKDWTYHBE-SMDDNHRTSA-N 0 1 312.797 3.231 20 5 DGBDMN C[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852458143 632606063 /nfs/dbraw/zinc/60/60/63/632606063.db2.gz BMYDAVKIWORVBH-BXUZGUMPSA-N 0 1 312.797 3.231 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCCCC[C@@H]2CCO)c1 ZINC000792924486 660994094 /nfs/dbraw/zinc/99/40/94/660994094.db2.gz ILLDXGFIYSTGTP-CYBMUJFWSA-N 0 1 312.797 3.375 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@]2(C1)CCCOC2 ZINC000792945015 660996184 /nfs/dbraw/zinc/99/61/84/660996184.db2.gz ZZXZTRMCFVZAEE-OAHLLOKOSA-N 0 1 310.781 3.251 20 5 DGBDMN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000793539052 661043491 /nfs/dbraw/zinc/04/34/91/661043491.db2.gz GVBBCRKOJXYWRD-QWHCGFSZSA-N 0 1 302.378 3.357 20 5 DGBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CCC(C3CC3)CC2)c1 ZINC000793631610 661050963 /nfs/dbraw/zinc/05/09/63/661050963.db2.gz PZLOJGXOTYEELN-UHFFFAOYSA-N 0 1 300.362 3.024 20 5 DGBDMN O=[N+]([O-])c1ccc2cnn(CN3CCC4(CCC4)CC3)c2c1 ZINC000795712856 661169605 /nfs/dbraw/zinc/16/96/05/661169605.db2.gz AOTARRYIDMAZOD-UHFFFAOYSA-N 0 1 300.362 3.168 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN1CCCSC[C@H]1C1CC1 ZINC000933916106 655738289 /nfs/dbraw/zinc/73/82/89/655738289.db2.gz OMNLQOFBGSVORH-HNNXBMFYSA-N 0 1 310.394 3.451 20 5 DGBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@H](c1ccncc1)C1CC1 ZINC000934688700 655795610 /nfs/dbraw/zinc/79/56/10/655795610.db2.gz WZXDISGZZSDHNF-INIZCTEOSA-N 0 1 301.321 3.370 20 5 DGBDMN CCCCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023991694 656051809 /nfs/dbraw/zinc/05/18/09/656051809.db2.gz CGEKOTGQOVKLDB-SNVBAGLBSA-N 0 1 313.785 3.307 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)c(OCCN2CCCCC2)cc1F ZINC000312435046 656135154 /nfs/dbraw/zinc/13/51/54/656135154.db2.gz UYZDNVMHKCUGMN-UHFFFAOYSA-N 0 1 302.733 3.252 20 5 DGBDMN C[C@H](O)C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000170691664 659226135 /nfs/dbraw/zinc/22/61/35/659226135.db2.gz JGVNIRPLIQMDOJ-LBPRGKRZSA-N 0 1 310.369 3.249 20 5 DGBDMN COC(=O)c1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000932177579 661544625 /nfs/dbraw/zinc/54/46/25/661544625.db2.gz CHAZMJIYPVTCLK-SNVBAGLBSA-N 0 1 320.370 3.294 20 5 DGBDMN Cc1c(CN2CCC(O)(C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000932821359 661599383 /nfs/dbraw/zinc/59/93/83/661599383.db2.gz NESJIOJUCYAYPO-UHFFFAOYSA-N 0 1 304.390 3.030 20 5 DGBDMN CO[C@H]1CC[C@H]1N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934112061 661681005 /nfs/dbraw/zinc/68/10/05/661681005.db2.gz QKZSVJBBYULFOP-OLZOCXBDSA-N 0 1 318.295 3.223 20 5 DGBDMN CCC[C@](C)(NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000934180777 661684975 /nfs/dbraw/zinc/68/49/75/661684975.db2.gz VSDLBPFKGSXAAW-INIZCTEOSA-N 0 1 302.378 3.133 20 5 DGBDMN CCC[C@@](C)(NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000934180778 661685046 /nfs/dbraw/zinc/68/50/46/661685046.db2.gz VSDLBPFKGSXAAW-MRXNPFEDSA-N 0 1 302.378 3.133 20 5 DGBDMN O=C(CN1CC[C@@H]2CCC[C@@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934339093 661699176 /nfs/dbraw/zinc/69/91/76/661699176.db2.gz CPDCISHVSKPJMV-GWCFXTLKSA-N 0 1 323.780 3.061 20 5 DGBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1F ZINC000934698060 661727557 /nfs/dbraw/zinc/72/75/57/661727557.db2.gz LUCMZDPLJDVYDX-MRXNPFEDSA-N 0 1 301.321 3.370 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934837866 661739651 /nfs/dbraw/zinc/73/96/51/661739651.db2.gz XGPYGSHOVRNEFM-KBPBESRZSA-N 0 1 322.380 3.373 20 5 DGBDMN Cc1cc(N[C@H]2CC[C@H](c3c[nH]nn3)CC2)c([N+](=O)[O-])s1 ZINC001577347696 1191894532 /nfs/dbraw/zinc/89/45/32/1191894532.db2.gz FRSPRQCBYXKANZ-MGCOHNPYSA-N 0 1 307.379 3.221 20 5 DGBDMN COc1ccc2c(c1)OCC[C@@H]2NCc1cccc([N+](=O)[O-])c1 ZINC001620816002 1192108679 /nfs/dbraw/zinc/10/86/79/1192108679.db2.gz OLZGVOGJOQQAAE-INIZCTEOSA-N 0 1 314.341 3.217 20 5 DGBDMN O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001597940796 1192755627 /nfs/dbraw/zinc/75/56/27/1192755627.db2.gz NIDRFGDDLLPSKR-NMFUWQPSSA-N 0 1 322.792 3.148 20 5 DGBDMN Cc1c(C[NH2+][C@@H](C)c2cc(C(=O)[O-])co2)cccc1[N+](=O)[O-] ZINC001600013396 1192783331 /nfs/dbraw/zinc/78/33/31/1192783331.db2.gz IUCXFHIWOFTMPJ-JTQLQIEISA-N 0 1 304.302 3.045 20 5 DGBDMN Cc1cc(C[C@H](C)Nc2ncc([N+](=O)[O-])c3ccccc32)[nH]n1 ZINC001331583632 1178254156 /nfs/dbraw/zinc/25/41/56/1178254156.db2.gz BHESXYFWVVBFPU-JTQLQIEISA-N 0 1 311.345 3.218 20 5 DGBDMN Cc1oc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001600854460 1192904984 /nfs/dbraw/zinc/90/49/84/1192904984.db2.gz RQKBVVMDRAAVNE-VIFPVBQESA-N 0 1 304.302 3.045 20 5 DGBDMN Cc1[nH]ncc1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001346057586 1179644259 /nfs/dbraw/zinc/64/42/59/1179644259.db2.gz QDYWKYNEQBGRHN-UHFFFAOYSA-N 0 1 300.240 3.257 20 5 DGBDMN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[C@@H](C)CCN2)n1 ZINC001349006750 1179865446 /nfs/dbraw/zinc/86/54/46/1179865446.db2.gz XXNHWZWSDYYDPL-ZANVPECISA-N 0 1 316.361 3.322 20 5 DGBDMN CC[C@](O)(CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC001351177254 1180182322 /nfs/dbraw/zinc/18/23/22/1180182322.db2.gz OSOXOFVZKYNYLC-MFKMUULPSA-N 0 1 320.311 3.257 20 5 DGBDMN CC[N@H+](Cc1occc1C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605454426 1193152141 /nfs/dbraw/zinc/15/21/41/1193152141.db2.gz OMIVIOQNIOLVEC-UHFFFAOYSA-N 0 1 318.329 3.217 20 5 DGBDMN CC[N@@H+](Cc1occc1C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605454426 1193152144 /nfs/dbraw/zinc/15/21/44/1193152144.db2.gz OMIVIOQNIOLVEC-UHFFFAOYSA-N 0 1 318.329 3.217 20 5 DGBDMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2s1 ZINC001457116649 1182446070 /nfs/dbraw/zinc/44/60/70/1182446070.db2.gz XQGGJJBHQKDSGW-MWLCHTKSSA-N 0 1 319.386 3.198 20 5 DGBDMN O=C(c1cccc(F)c1O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001458499303 1182532355 /nfs/dbraw/zinc/53/23/55/1182532355.db2.gz XBYYUHLTIAVLAL-UHFFFAOYSA-N 0 1 316.288 3.033 20 5 DGBDMN CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc2O1 ZINC001459642866 1182601930 /nfs/dbraw/zinc/60/19/30/1182601930.db2.gz HHASVZWGUHDSQH-CQSZACIVSA-N 0 1 314.341 3.478 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCSC[C@H]1C1CCC1 ZINC001460272544 1182669975 /nfs/dbraw/zinc/66/99/75/1182669975.db2.gz SVNGQGRZEVCMRG-HNNXBMFYSA-N 0 1 322.430 3.321 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CNCc2cccc3n[nH]cc32)c1 ZINC001461342913 1182797539 /nfs/dbraw/zinc/79/75/39/1182797539.db2.gz XDJNVDGXXQJBGY-UHFFFAOYSA-N 0 1 316.748 3.414 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC001473187891 1183725024 /nfs/dbraw/zinc/72/50/24/1183725024.db2.gz UJZXPVCWKQKKEH-DOTOQJQBSA-N 0 1 322.405 3.239 20 5 DGBDMN O=[N+]([O-])c1ccc(OCCN(Cc2ccoc2)C2CC2)cc1 ZINC001473830942 1183809998 /nfs/dbraw/zinc/80/99/98/1183809998.db2.gz SDSAGADZWSCBSA-UHFFFAOYSA-N 0 1 302.330 3.231 20 5 DGBDMN CCO[C@@]1(C)C[C@H]1NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001474625402 1183952638 /nfs/dbraw/zinc/95/26/38/1183952638.db2.gz AGIZBZDXWKDVSD-OLZOCXBDSA-N 0 1 318.295 3.271 20 5 DGBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(F)c1O ZINC001538488737 1188144926 /nfs/dbraw/zinc/14/49/26/1188144926.db2.gz XZODPQUYUNZIGN-UHFFFAOYSA-N 0 1 320.276 3.091 20 5 DGBDMN O=C(N[C@H](c1ccc(F)cc1)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001544463205 1188394422 /nfs/dbraw/zinc/39/44/22/1188394422.db2.gz CXPDYRNOAVMAEH-OAGGEKHMSA-N 0 1 320.364 3.229 20 5 DGBDMN CC(C)c1ncc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC001558561316 1189134315 /nfs/dbraw/zinc/13/43/15/1189134315.db2.gz PCLYFZKVBOGBNZ-UHFFFAOYSA-N 0 1 322.752 3.025 20 5 DGBDMN COc1c(O)ccc(CN2CCC(C)(C3CC3)CC2)c1[N+](=O)[O-] ZINC001560861382 1189395706 /nfs/dbraw/zinc/39/57/06/1189395706.db2.gz MOEKLQKPDBQQEH-UHFFFAOYSA-N 0 1 320.389 3.321 20 5 DGBDMN 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CCc1noc(C)c1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285241018 218347511 /nfs/dbraw/zinc/34/75/11/218347511.db2.gz GQBTWEXFCHZZCD-UHFFFAOYSA-N 0 1 303.362 3.128 20 5 DGBDMN Cc1c([C@H](C)N[C@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000268846041 207012888 /nfs/dbraw/zinc/01/28/88/207012888.db2.gz VLWZIQVTAQVDJM-WFASDCNBSA-N 0 1 314.389 3.365 20 5 DGBDMN C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000337951782 253199640 /nfs/dbraw/zinc/19/96/40/253199640.db2.gz LSJFCDJSDRDCCO-FVOPLDGLSA-N 0 1 301.321 3.493 20 5 DGBDMN Cc1nc2cccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2[nH]1 ZINC000338582876 253315720 /nfs/dbraw/zinc/31/57/20/253315720.db2.gz UGZDPQMAHFOWPP-JTQLQIEISA-N 0 1 324.340 3.271 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000272963814 210349697 /nfs/dbraw/zinc/34/96/97/210349697.db2.gz NYBIRSPFGJFTJB-LBPRGKRZSA-N 0 1 320.780 3.351 20 5 DGBDMN CCN(Cc1cccc(F)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338920968 253370937 /nfs/dbraw/zinc/37/09/37/253370937.db2.gz RUPFAMQFOPEYKN-UHFFFAOYSA-N 0 1 304.321 3.462 20 5 DGBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCc3cn[nH]c32)c2ccncc21 ZINC000268819422 285136273 /nfs/dbraw/zinc/13/62/73/285136273.db2.gz JOKVXQBQGSGDDF-AWEZNQCLSA-N 0 1 309.329 3.356 20 5 DGBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H](C)CC(C)(C)C1 ZINC000344066161 254220294 /nfs/dbraw/zinc/22/02/94/254220294.db2.gz PTDZOSRBZPCUCG-CHWSQXEVSA-N 0 1 319.405 3.290 20 5 DGBDMN CCCc1csc(CNCCc2ccccc2[N+](=O)[O-])n1 ZINC000344071357 254220949 /nfs/dbraw/zinc/22/09/49/254220949.db2.gz VRTXDMIUJMWQMI-UHFFFAOYSA-N 0 1 305.403 3.336 20 5 DGBDMN CC[C@@]1(C)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000344206822 254239296 /nfs/dbraw/zinc/23/92/96/254239296.db2.gz ALXKSRPXKJMBDL-INIZCTEOSA-N 0 1 316.361 3.267 20 5 DGBDMN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000338302861 285184328 /nfs/dbraw/zinc/18/43/28/285184328.db2.gz UVSMKUULTJVZLZ-LLVKDONJSA-N 0 1 311.332 3.173 20 5 DGBDMN COc1ncccc1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344799046 254306741 /nfs/dbraw/zinc/30/67/41/254306741.db2.gz YTANLXKSVSDSHX-UKTHLTGXSA-N 0 1 313.357 3.192 20 5 DGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1c(C)noc1C ZINC000344842545 254309923 /nfs/dbraw/zinc/30/99/23/254309923.db2.gz GPRXZECJSRAYJL-YRNVUSSQSA-N 0 1 301.346 3.393 20 5 DGBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(O)cc1F ZINC000345645416 254382914 /nfs/dbraw/zinc/38/29/14/254382914.db2.gz UGBAJBIYGBUBAJ-UHFFFAOYSA-N 0 1 324.695 3.274 20 5 DGBDMN Cc1c(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289640700 221122263 /nfs/dbraw/zinc/12/22/63/221122263.db2.gz FPSCPIVXNWOSHF-HZPDHXFCSA-N 0 1 304.390 3.293 20 5 DGBDMN CO[C@@H](C)[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289976962 221355777 /nfs/dbraw/zinc/35/57/77/221355777.db2.gz ZKFPDPCIENQXPS-MNOVXSKESA-N 0 1 321.402 3.231 20 5 DGBDMN COc1ccc2c(c1)[C@H](NCc1cccc([N+](=O)[O-])c1)CCO2 ZINC000321189006 533298851 /nfs/dbraw/zinc/29/88/51/533298851.db2.gz DSDNUBIUJRAVFJ-MRXNPFEDSA-N 0 1 314.341 3.217 20 5 DGBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000299492942 533657987 /nfs/dbraw/zinc/65/79/87/533657987.db2.gz ALVIQOUOQWTCIQ-VIFPVBQESA-N 0 1 322.752 3.113 20 5 DGBDMN COc1ccc(CNCc2ccnc(SC)c2)cc1[N+](=O)[O-] ZINC000357339042 285722878 /nfs/dbraw/zinc/72/28/78/285722878.db2.gz ALTHYKBOXDMKHV-UHFFFAOYSA-N 0 1 319.386 3.010 20 5 DGBDMN Cc1ccnc(NCc2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000609670144 400184956 /nfs/dbraw/zinc/18/49/56/400184956.db2.gz PNSIFVIHLHBCJJ-UHFFFAOYSA-N 0 1 317.736 3.440 20 5 DGBDMN COc1ccccc1CCN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595302829 400123437 /nfs/dbraw/zinc/12/34/37/400123437.db2.gz LHMWCERISJDIIU-UHFFFAOYSA-N 0 1 318.348 3.417 20 5 DGBDMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000600676290 400126654 /nfs/dbraw/zinc/12/66/54/400126654.db2.gz VIAWMPYDHXLRKK-YWVDXFKGSA-N 0 1 318.373 3.471 20 5 DGBDMN Cc1cc(C2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000595407578 400140442 /nfs/dbraw/zinc/14/04/42/400140442.db2.gz CFRQFUWMRDGGNU-UHFFFAOYSA-N 0 1 318.352 3.145 20 5 DGBDMN CC(C)(C)CN(CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705084 400187358 /nfs/dbraw/zinc/18/73/58/400187358.db2.gz OOFQWFMTOOTECZ-UHFFFAOYSA-N 0 1 300.786 3.089 20 5 DGBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000586790801 400156930 /nfs/dbraw/zinc/15/69/30/400156930.db2.gz OTFMOXHMMNQIRR-JTQLQIEISA-N 0 1 313.313 3.292 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCCCCCC2)c2c(c1)COCO2 ZINC000015261573 400163364 /nfs/dbraw/zinc/16/33/64/400163364.db2.gz VNENBNDZFWCXPM-UHFFFAOYSA-N 0 1 306.362 3.227 20 5 DGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595502931 400170875 /nfs/dbraw/zinc/17/08/75/400170875.db2.gz OUQCRIROQHTZLU-CYBMUJFWSA-N 0 1 313.357 3.075 20 5 DGBDMN C[C@@H](CO)[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595676734 400224423 /nfs/dbraw/zinc/22/44/23/400224423.db2.gz NSJWEVMBANSESH-FZMZJTMJSA-N 0 1 312.797 3.231 20 5 DGBDMN C[C@@H](CO)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595677568 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DGBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](CO)c1ccc(F)cc1 ZINC000579613714 323895060 /nfs/dbraw/zinc/89/50/60/323895060.db2.gz AGCNZRJXXQFCIL-CVEARBPZSA-N 0 1 316.332 3.044 20 5 DGBDMN COCC1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459624917 500805917 /nfs/dbraw/zinc/80/59/17/500805917.db2.gz VWVRFDBDFMKMEM-UHFFFAOYSA-N 0 1 316.357 3.323 20 5 DGBDMN COc1cc(F)cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294718944 534008965 /nfs/dbraw/zinc/00/89/65/534008965.db2.gz JXVRALKZPFLNQD-SNVBAGLBSA-N 0 1 319.336 3.176 20 5 DGBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCCC1CCOCC1)CC2 ZINC000332515518 534883718 /nfs/dbraw/zinc/88/37/18/534883718.db2.gz WPGABISGVDEJRP-UHFFFAOYSA-N 0 1 304.390 3.160 20 5 DGBDMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330785088 527877565 /nfs/dbraw/zinc/87/75/65/527877565.db2.gz SWPHWYWBWCPFQJ-IAQYHMDHSA-N 0 1 306.362 3.341 20 5 DGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](C(C)C)CC2)c1[N+](=O)[O-] ZINC000331678291 528544623 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DGBDMN CCO[C@@H]1C[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000740887032 574944893 /nfs/dbraw/zinc/94/48/93/574944893.db2.gz OMUQQLZYYFJLIF-HUUCEWRRSA-N 0 1 310.369 3.369 20 5 DGBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749929743 575688886 /nfs/dbraw/zinc/68/88/86/575688886.db2.gz DVNYOSHRJDWNFY-UHFFFAOYSA-N 0 1 316.704 3.377 20 5 DGBDMN C/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c(OC)c1 ZINC000916856698 620647751 /nfs/dbraw/zinc/64/77/51/620647751.db2.gz JYRYXGWTCBTGAC-ONEGZZNKSA-N 0 1 302.286 3.184 20 5 DGBDMN CC(C)(C)c1nnc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000154588443 620688748 /nfs/dbraw/zinc/68/87/48/620688748.db2.gz HVBXYCXZAZPOQF-UHFFFAOYSA-N 0 1 324.337 3.135 20 5 DGBDMN Cc1nn(CN(C)C[C@H]2CCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000853611303 620715794 /nfs/dbraw/zinc/71/57/94/620715794.db2.gz XYFCKKYRAYMNKI-OAHLLOKOSA-N 0 1 314.389 3.027 20 5 DGBDMN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCCN1C1CC1 ZINC000804655235 617604721 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O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000895146116 618553169 /nfs/dbraw/zinc/55/31/69/618553169.db2.gz BJGCGCMUNGRGLU-WZRBSPASSA-N 0 1 316.279 3.023 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(O)(C2CCC2)CC1 ZINC000897035498 619004723 /nfs/dbraw/zinc/00/47/23/619004723.db2.gz UMTCBQBNQOATSG-GQCTYLIASA-N 0 1 316.401 3.235 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC000897510865 619142319 /nfs/dbraw/zinc/14/23/19/619142319.db2.gz CGBPUWGJOJZZAX-HIFRSBDPSA-N 0 1 310.781 3.295 20 5 DGBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897510853 619142400 /nfs/dbraw/zinc/14/24/00/619142400.db2.gz BYGXCSCPUSOIKR-RDJZCZTQSA-N 0 1 320.389 3.041 20 5 DGBDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000901591213 619520020 /nfs/dbraw/zinc/52/00/20/619520020.db2.gz YDMRJOFHLDRXON-UHFFFAOYSA-N 0 1 308.378 3.261 20 5 DGBDMN Cc1ccsc1C[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000901937427 619564265 /nfs/dbraw/zinc/56/42/65/619564265.db2.gz CEQSPGNMOAKRIU-OAHLLOKOSA-N 0 1 320.370 3.054 20 5 DGBDMN C[C@H](NCC1(C2(O)CCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903257399 619746079 /nfs/dbraw/zinc/74/60/79/619746079.db2.gz GHUOICZFOVTXGC-NSHDSACASA-N 0 1 308.353 3.080 20 5 DGBDMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903335086 619759486 /nfs/dbraw/zinc/75/94/86/619759486.db2.gz KOTWOLUHTHFGKB-DIFFPNOSSA-N 0 1 312.373 3.374 20 5 DGBDMN C[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000905852898 620037701 /nfs/dbraw/zinc/03/77/01/620037701.db2.gz OETFSUPWQJMHKS-KGLIPLIRSA-N 0 1 319.405 3.037 20 5 DGBDMN CCOc1cncc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000922541699 621054143 /nfs/dbraw/zinc/05/41/43/621054143.db2.gz SBIWHNCYXNZBGJ-GFCCVEGCSA-N 0 1 301.346 3.239 20 5 DGBDMN CC[C@H](CNCc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000922599623 621063457 /nfs/dbraw/zinc/06/34/57/621063457.db2.gz OGHILQZRETVYHC-LLVKDONJSA-N 0 1 314.407 3.114 20 5 DGBDMN CC[C@@H](CC(F)(F)F)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000838116893 621212262 /nfs/dbraw/zinc/21/22/62/621212262.db2.gz NKQUTNVXYVANAK-QMMMGPOBSA-N 0 1 321.251 3.322 20 5 DGBDMN Cc1nn(CN2CC[C@](C)(c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000755928611 621604329 /nfs/dbraw/zinc/60/43/29/621604329.db2.gz CZBOFHPHFLHAIR-KRWDZBQOSA-N 0 1 314.389 3.029 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]3COCC[C@H]32)c1 ZINC000756903085 621671816 /nfs/dbraw/zinc/67/18/16/621671816.db2.gz ZIISGRHOSMQKKK-XHDPSFHLSA-N 0 1 310.781 3.249 20 5 DGBDMN CC(C)[C@H](N)c1noc(-c2cc([N+](=O)[O-])cc3ccccc32)n1 ZINC000863656762 621695011 /nfs/dbraw/zinc/69/50/11/621695011.db2.gz NKNUIVQSFLSWEG-AWEZNQCLSA-N 0 1 312.329 3.454 20 5 DGBDMN CC(C)[C@@H](N)c1noc(-c2cc([N+](=O)[O-])cc3ccccc32)n1 ZINC000863656763 621695281 /nfs/dbraw/zinc/69/52/81/621695281.db2.gz NKNUIVQSFLSWEG-CQSZACIVSA-N 0 1 312.329 3.454 20 5 DGBDMN O=C(Nc1cccc(CSC2CCCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839691509 621708692 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Cc1nc2ccc(COc3ccc([N+](=O)[O-])cc3C=O)cc2[nH]1 ZINC000767381004 622394590 /nfs/dbraw/zinc/39/45/90/622394590.db2.gz ZDORQCHBUSNDFZ-UHFFFAOYSA-N 0 1 311.297 3.171 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]3COCC[C@H]32)ccc1Cl ZINC000768548390 622464402 /nfs/dbraw/zinc/46/44/02/622464402.db2.gz BFYAFQCMDGJSBI-GXTWGEPZSA-N 0 1 310.781 3.249 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]3COCC[C@@H]32)ccc1Cl ZINC000768548393 622464477 /nfs/dbraw/zinc/46/44/77/622464477.db2.gz BFYAFQCMDGJSBI-OCCSQVGLSA-N 0 1 310.781 3.249 20 5 DGBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccoc3)CC2)cc1 ZINC000769483632 622533178 /nfs/dbraw/zinc/53/31/78/622533178.db2.gz QWHUESSHNRWBHJ-UHFFFAOYSA-N 0 1 302.330 3.231 20 5 DGBDMN C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC12CCC2 ZINC000770672170 622660010 /nfs/dbraw/zinc/66/00/10/622660010.db2.gz ZEWMUFOLAIQCLA-CYBMUJFWSA-N 0 1 314.389 3.414 20 5 DGBDMN COc1cc(C)c([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1C ZINC000770934137 622690605 /nfs/dbraw/zinc/69/06/05/622690605.db2.gz 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DGBDMN CCN(Cc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000053132882 400766146 /nfs/dbraw/zinc/76/61/46/400766146.db2.gz ZOIUDYIRUSIHKY-UHFFFAOYSA-N 0 1 314.341 3.346 20 5 DGBDMN CC(C)CCN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053361027 400777289 /nfs/dbraw/zinc/77/72/89/400777289.db2.gz CSZQBRQEEPRJSC-UHFFFAOYSA-N 0 1 313.785 3.165 20 5 DGBDMN CC(C)CCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000053363684 400777445 /nfs/dbraw/zinc/77/74/45/400777445.db2.gz YFKYZOAQPNZADE-UHFFFAOYSA-N 0 1 313.785 3.165 20 5 DGBDMN CCC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000053376429 400780057 /nfs/dbraw/zinc/78/00/57/400780057.db2.gz QUBGPKBFJFOZTE-GFCCVEGCSA-N 0 1 305.378 3.044 20 5 DGBDMN Cc1c([C@@H](C)N[C@@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000358151255 285983890 /nfs/dbraw/zinc/98/38/90/285983890.db2.gz CSWXBCJHIAGTJZ-WBMJQRKESA-N 0 1 318.348 3.427 20 5 DGBDMN C[C@@H](NCc1cnn(C(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000079723893 400891170 /nfs/dbraw/zinc/89/11/70/400891170.db2.gz 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O=[N+]([O-])c1cnc(NC[C@H]2CCN2C2CCCC2)c(Cl)c1 ZINC000599165837 400982694 /nfs/dbraw/zinc/98/26/94/400982694.db2.gz UIDIOMAXXSNMDN-LLVKDONJSA-N 0 1 310.785 3.072 20 5 DGBDMN COc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599696725 401119963 /nfs/dbraw/zinc/11/99/63/401119963.db2.gz GNJIYKBTWHIKKK-QGZVFWFLSA-N 0 1 313.357 3.239 20 5 DGBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCCC1 ZINC000064021376 401226591 /nfs/dbraw/zinc/22/65/91/401226591.db2.gz ONVAOTUYKPFLTB-UHFFFAOYSA-N 0 1 316.361 3.267 20 5 DGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000437540023 286384053 /nfs/dbraw/zinc/38/40/53/286384053.db2.gz ACODTMJATZSJJW-ZBFHGGJFSA-N 0 1 322.430 3.463 20 5 DGBDMN O=[N+]([O-])c1cnc(N[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000189687555 165173072 /nfs/dbraw/zinc/17/30/72/165173072.db2.gz ALYXDXKPKPUPKH-CYBMUJFWSA-N 0 1 318.402 3.128 20 5 DGBDMN CCN(Cc1ccccc1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269418055 432171648 /nfs/dbraw/zinc/17/16/48/432171648.db2.gz 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ZINC000346595748 264060725 /nfs/dbraw/zinc/06/07/25/264060725.db2.gz FYJXXBOCUICBCL-SJCJKPOMSA-N 0 1 318.373 3.200 20 5 DGBDMN COC(=O)[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000347272081 264187271 /nfs/dbraw/zinc/18/72/71/264187271.db2.gz DFNYYMTWQHXSFP-IUODEOHRSA-N 0 1 320.389 3.102 20 5 DGBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000347384742 264210980 /nfs/dbraw/zinc/21/09/80/264210980.db2.gz YVICUPCNPIFWQO-RCBBPTIPSA-N 0 1 304.390 3.091 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C\CNc1cnccc1-n1cccn1 ZINC000348143673 264351571 /nfs/dbraw/zinc/35/15/71/264351571.db2.gz QAISJBAGMIMTPO-UTCJRWHESA-N 0 1 321.340 3.301 20 5 DGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC2(CCC2)C1 ZINC000348169101 264356938 /nfs/dbraw/zinc/35/69/38/264356938.db2.gz OSLCLJDOHAMQIU-ZDUSSCGKSA-N 0 1 317.389 3.188 20 5 DGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC(C)(C)C1 ZINC000353263131 265367526 /nfs/dbraw/zinc/36/75/26/265367526.db2.gz NCUDPMGPRUNNDN-LBPRGKRZSA-N 0 1 305.378 3.044 20 5 DGBDMN CN(Cc1c([N+](=O)[O-])ncn1C)C1CCC(C(C)(C)C)CC1 ZINC000355550748 266111335 /nfs/dbraw/zinc/11/13/35/266111335.db2.gz YBKLJFBUNKYKNQ-UHFFFAOYSA-N 0 1 308.426 3.365 20 5 DGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000355616511 266133352 /nfs/dbraw/zinc/13/33/52/266133352.db2.gz HXNIJTNQPOQLET-UHFFFAOYSA-N 0 1 310.260 3.125 20 5 DGBDMN CO[C@H]1c2ccccc2C[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000411894722 274086247 /nfs/dbraw/zinc/08/62/47/274086247.db2.gz SLJNPPSVCYIHTD-WBVHZDCISA-N 0 1 316.332 3.136 20 5 DGBDMN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000279056533 274525014 /nfs/dbraw/zinc/52/50/14/274525014.db2.gz KNIROBOXGLITTN-ZBEGNZNMSA-N 0 1 314.389 3.402 20 5 DGBDMN Cc1cccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000032509964 274792607 /nfs/dbraw/zinc/79/26/07/274792607.db2.gz VKVTUUKUEJOXSQ-UHFFFAOYSA-N 0 1 311.385 3.225 20 5 DGBDMN CC(C)c1ccc(-c2nc(C3(N)CCC3)no2)cc1[N+](=O)[O-] ZINC000414623852 276047911 /nfs/dbraw/zinc/04/79/11/276047911.db2.gz FLCYYGLVUGVHDI-UHFFFAOYSA-N 0 1 302.334 3.106 20 5 DGBDMN CC(C)CC[C@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434356271 277367441 /nfs/dbraw/zinc/36/74/41/277367441.db2.gz VFVANVWAADSWJQ-GFCCVEGCSA-N 0 1 322.409 3.482 20 5 DGBDMN CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263382459 278035844 /nfs/dbraw/zinc/03/58/44/278035844.db2.gz CBYWXROHVCUYMS-CQSZACIVSA-N 0 1 306.362 3.157 20 5 DGBDMN C[C@H](N[C@@H]1CCCc2occc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293270841 278273379 /nfs/dbraw/zinc/27/33/79/278273379.db2.gz CILORZMACPLFJM-IINYFYTJSA-N 0 1 301.346 3.498 20 5 DGBDMN C[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000268798709 278383013 /nfs/dbraw/zinc/38/30/13/278383013.db2.gz GXLITCVFCZWRAM-ABAIWWIYSA-N 0 1 300.362 3.057 20 5 DGBDMN CCC[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000281680988 278872403 /nfs/dbraw/zinc/87/24/03/278872403.db2.gz RKQFELRCFQVDNB-XJKSGUPXSA-N 0 1 319.405 3.037 20 5 DGBDMN CCC[C@H](N[C@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322477190 278945885 /nfs/dbraw/zinc/94/58/85/278945885.db2.gz RKQFELRCFQVDNB-CJNGLKHVSA-N 0 1 319.405 3.037 20 5 DGBDMN C[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000068838015 431143044 /nfs/dbraw/zinc/14/30/44/431143044.db2.gz OISBOVOVTCCQMX-GFCCVEGCSA-N 0 1 316.361 3.267 20 5 DGBDMN CCCC[C@H](CC)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000071863217 431301747 /nfs/dbraw/zinc/30/17/47/431301747.db2.gz BRFZOAMBVOIIAN-NSHDSACASA-N 0 1 318.377 3.417 20 5 DGBDMN C[C@H]1CCC[C@H](C)N1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000108918369 279686723 /nfs/dbraw/zinc/68/67/23/279686723.db2.gz ICSLWHHSLDMSCH-RYUDHWBXSA-N 0 1 316.361 3.408 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)CCC[C@H]1C ZINC000009997901 431453759 /nfs/dbraw/zinc/45/37/59/431453759.db2.gz VDZBWUGQGSYJHZ-CHWSQXEVSA-N 0 1 305.378 3.105 20 5 DGBDMN O=[N+]([O-])c1ccc(CNCc2ccc3c(c2)OCCCO3)cc1 ZINC000077221102 431575638 /nfs/dbraw/zinc/57/56/38/431575638.db2.gz PDNLSYIOFCMHEW-UHFFFAOYSA-N 0 1 314.341 3.046 20 5 DGBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000119404397 431690161 /nfs/dbraw/zinc/69/01/61/431690161.db2.gz SLEURZTVFYLEDP-AMXDTQDGSA-N 0 1 318.398 3.183 20 5 DGBDMN CC(C)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000079076566 431716125 /nfs/dbraw/zinc/71/61/25/431716125.db2.gz VSXGXBYEFPYMDQ-UHFFFAOYSA-N 0 1 311.769 3.060 20 5 DGBDMN CN(C)C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000037562595 431847794 /nfs/dbraw/zinc/84/77/94/431847794.db2.gz GPDSERLOHPMMKE-AWEZNQCLSA-N 0 1 305.403 3.049 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CO)c1ccccc1 ZINC000123604839 431870119 /nfs/dbraw/zinc/87/01/19/431870119.db2.gz ITXOJXNWGMFFSP-DYVFJYSZSA-N 0 1 300.358 3.287 20 5 DGBDMN CCC[C@H](NCc1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090887660 431896926 /nfs/dbraw/zinc/89/69/26/431896926.db2.gz WXVAIIDIRDIVLS-INIZCTEOSA-N 0 1 302.378 3.268 20 5 DGBDMN Cc1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000057315209 431990932 /nfs/dbraw/zinc/99/09/32/431990932.db2.gz SOFLLBKIURYYPF-UHFFFAOYSA-N 0 1 311.385 3.225 20 5 DGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000191567161 432278203 /nfs/dbraw/zinc/27/82/03/432278203.db2.gz JUXWTKKGQSZNOS-UHFFFAOYSA-N 0 1 324.333 3.152 20 5 DGBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCC[C@H]1O ZINC000248405681 432286029 /nfs/dbraw/zinc/28/60/29/432286029.db2.gz ATTWOMBNNJKKNO-IUODEOHRSA-N 0 1 312.797 3.231 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000183372827 432286711 /nfs/dbraw/zinc/28/67/11/432286711.db2.gz QKIRXUOYUMWZSJ-QGZVFWFLSA-N 0 1 316.332 3.387 20 5 DGBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccsc2)cc1[N+](=O)[O-] ZINC000191797075 432302435 /nfs/dbraw/zinc/30/24/35/432302435.db2.gz ZPENMTYBAJIORJ-UHFFFAOYSA-N 0 1 312.372 3.074 20 5 DGBDMN Cc1ccc([C@@H](C)N[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000102888244 431999751 /nfs/dbraw/zinc/99/97/51/431999751.db2.gz SIRQHNSIHXJLHX-CJNGLKHVSA-N 0 1 300.358 3.287 20 5 DGBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000192610664 432392415 /nfs/dbraw/zinc/39/24/15/432392415.db2.gz SVTYPKIVMJFACH-LBPRGKRZSA-N 0 1 322.409 3.311 20 5 DGBDMN CC(C)OC(=O)C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000184482873 432397291 /nfs/dbraw/zinc/39/72/91/432397291.db2.gz AWMLCODPNCJPRA-CQSZACIVSA-N 0 1 320.389 3.149 20 5 DGBDMN CC(C)N(CC1CCC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000193009618 432439029 /nfs/dbraw/zinc/43/90/29/432439029.db2.gz QZVGFTAAXCSFEU-UHFFFAOYSA-N 0 1 316.361 3.122 20 5 DGBDMN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000255429570 432409958 /nfs/dbraw/zinc/40/99/58/432409958.db2.gz DTPVQQPRKLBDJA-XQRVVYSFSA-N 0 1 303.387 3.239 20 5 DGBDMN CCc1nc([C@@H](C)NCCOc2ccccc2[N+](=O)[O-])cs1 ZINC000184717001 432425507 /nfs/dbraw/zinc/42/55/07/432425507.db2.gz ONJKCHJJVSMIAQ-LLVKDONJSA-N 0 1 321.402 3.343 20 5 DGBDMN CCC[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000185413167 432497592 /nfs/dbraw/zinc/49/75/92/432497592.db2.gz XWSRHRSMTRWADE-LLVKDONJSA-N 0 1 316.361 3.266 20 5 DGBDMN CCOc1ccc([C@H](C)N[C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153967043 432461523 /nfs/dbraw/zinc/46/15/23/432461523.db2.gz AJTYVSXIQPUGOF-NWDGAFQWSA-N 0 1 318.377 3.139 20 5 DGBDMN Cc1nn(C)c(C)c1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154965487 432532439 /nfs/dbraw/zinc/53/24/39/432532439.db2.gz YCESNOPNZKKFPF-UHFFFAOYSA-N 0 1 316.405 3.356 20 5 DGBDMN Cc1cc(N[C@H]2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272890583 432536928 /nfs/dbraw/zinc/53/69/28/432536928.db2.gz XUPBDDDBPKZAAE-RYUDHWBXSA-N 0 1 301.346 3.431 20 5 DGBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263461382 432546772 /nfs/dbraw/zinc/54/67/72/432546772.db2.gz BVTLVHQZYVZILF-UHFFFAOYSA-N 0 1 318.329 3.150 20 5 DGBDMN COc1cc(C[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263689056 432566657 /nfs/dbraw/zinc/56/66/57/432566657.db2.gz JKPYGYLUNOSGRD-VIFPVBQESA-N 0 1 316.304 3.047 20 5 DGBDMN COc1cc(CN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263689056 432566660 /nfs/dbraw/zinc/56/66/60/432566660.db2.gz JKPYGYLUNOSGRD-VIFPVBQESA-N 0 1 316.304 3.047 20 5 DGBDMN CC(C)C[C@@H]1OCCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000186361227 432586518 /nfs/dbraw/zinc/58/65/18/432586518.db2.gz ADJOLOIXZLHCOQ-ZBFHGGJFSA-N 0 1 310.369 3.417 20 5 DGBDMN Cc1ccc(CN2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000186488353 432601059 /nfs/dbraw/zinc/60/10/59/432601059.db2.gz KOXIBKYXWIXSBN-UHFFFAOYSA-N 0 1 322.430 3.001 20 5 DGBDMN C[C@@H](N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(C)CC1 ZINC000177252838 432604510 /nfs/dbraw/zinc/60/45/10/432604510.db2.gz ZPXAGDNJGXCOPY-LLVKDONJSA-N 0 1 316.361 3.265 20 5 DGBDMN Cc1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000268377052 432867180 /nfs/dbraw/zinc/86/71/80/432867180.db2.gz ICNJCZYUQCYUEP-JTQLQIEISA-N 0 1 321.768 3.059 20 5 DGBDMN Cc1nnc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000268377052 432867183 /nfs/dbraw/zinc/86/71/83/432867183.db2.gz ICNJCZYUQCYUEP-JTQLQIEISA-N 0 1 321.768 3.059 20 5 DGBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1C ZINC000331069858 432929239 /nfs/dbraw/zinc/92/92/39/432929239.db2.gz RPNQFLJPNVOTEL-NHYWBVRUSA-N 0 1 306.362 3.341 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000289346812 432947167 /nfs/dbraw/zinc/94/71/67/432947167.db2.gz FSAVLFOACFXDAT-GFCCVEGCSA-N 0 1 305.334 3.125 20 5 DGBDMN CCC[C@@H](NCc1n[nH]c(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000296384249 432902758 /nfs/dbraw/zinc/90/27/58/432902758.db2.gz JTAHTHRFHKRVCA-CQSZACIVSA-N 0 1 317.393 3.467 20 5 DGBDMN CC[C@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000341169769 432982090 /nfs/dbraw/zinc/98/20/90/432982090.db2.gz ORLQXNLOTAECJK-LBPRGKRZSA-N 0 1 302.334 3.019 20 5 DGBDMN CSCC[C@H](C)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361275199 433077924 /nfs/dbraw/zinc/07/79/24/433077924.db2.gz VOMDWDKHJVBJFP-JTQLQIEISA-N 0 1 308.407 3.045 20 5 DGBDMN CC[C@H](C)n1ncc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C ZINC000361306180 433093352 /nfs/dbraw/zinc/09/33/52/433093352.db2.gz SJPIRKJJJNISPN-VIFPVBQESA-N 0 1 318.333 3.029 20 5 DGBDMN CC[N@@H+](CC1CCC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361481712 433195922 /nfs/dbraw/zinc/19/59/22/433195922.db2.gz PZTYQBJKIGYQHG-LBPRGKRZSA-N 0 1 305.378 3.044 20 5 DGBDMN Cc1nc([C@@H]2CCCCN2c2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000337825758 433262247 /nfs/dbraw/zinc/26/22/47/433262247.db2.gz SUHOIIFLFUCUCX-ZDUSSCGKSA-N 0 1 301.350 3.061 20 5 DGBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[C@H](C)C1 ZINC000361642194 433308903 /nfs/dbraw/zinc/30/89/03/433308903.db2.gz IBJINMYBMBSUSJ-GXTWGEPZSA-N 0 1 310.369 3.371 20 5 DGBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000339065145 433338210 /nfs/dbraw/zinc/33/82/10/433338210.db2.gz ITIBSWSXRHPOAX-SECBINFHSA-N 0 1 308.284 3.429 20 5 DGBDMN CC(C)C[C@@H](N)c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000339359399 433532241 /nfs/dbraw/zinc/53/22/41/433532241.db2.gz HKHZCFQIQWDCSZ-GFCCVEGCSA-N 0 1 322.390 3.316 20 5 DGBDMN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c(Cl)c1 ZINC000301291430 433491160 /nfs/dbraw/zinc/49/11/60/433491160.db2.gz UVMYQPGVCARIJD-SNVBAGLBSA-N 0 1 310.785 3.072 20 5 DGBDMN CC(C)c1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC000426716740 433568762 /nfs/dbraw/zinc/56/87/62/433568762.db2.gz XTMHWHNHTNDUCD-UHFFFAOYSA-N 0 1 318.329 3.299 20 5 DGBDMN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356635240 433630448 /nfs/dbraw/zinc/63/04/48/433630448.db2.gz OBHUQMFEYCRINE-IINYFYTJSA-N 0 1 306.362 3.245 20 5 DGBDMN Cc1c([C@@H](C)NCc2cnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000367438256 293072651 /nfs/dbraw/zinc/07/26/51/293072651.db2.gz LTSJOPRNSNEZOA-CYBMUJFWSA-N 0 1 314.389 3.287 20 5 DGBDMN CCCCC[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356795147 433700083 /nfs/dbraw/zinc/70/00/83/433700083.db2.gz DZHDZKNZCCTMAU-ZDUSSCGKSA-N 0 1 306.362 3.485 20 5 DGBDMN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000356798658 433702037 /nfs/dbraw/zinc/70/20/37/433702037.db2.gz RILUTDJCCXDPNB-NXEZZACHSA-N 0 1 317.311 3.142 20 5 DGBDMN C[C@@H]1[C@@H](C)N(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000356798658 433702045 /nfs/dbraw/zinc/70/20/45/433702045.db2.gz RILUTDJCCXDPNB-NXEZZACHSA-N 0 1 317.311 3.142 20 5 DGBDMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356801936 433703148 /nfs/dbraw/zinc/70/31/48/433703148.db2.gz JHMJIAPKHTZPAM-ABAIWWIYSA-N 0 1 306.362 3.341 20 5 DGBDMN Cc1ccc(C)c([C@@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000370540694 293178085 /nfs/dbraw/zinc/17/80/85/293178085.db2.gz VYKCCYUNLARAJK-HNNXBMFYSA-N 0 1 314.389 3.282 20 5 DGBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(OCC2CC2)CC1 ZINC000372399218 293243677 /nfs/dbraw/zinc/24/36/77/293243677.db2.gz FAMVRZGLHVBOJV-HWKANZROSA-N 0 1 316.401 3.499 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CC[C@@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000374386825 293392611 /nfs/dbraw/zinc/39/26/11/293392611.db2.gz ADLSLJHZOGJAMD-OLZOCXBDSA-N 0 1 310.781 3.107 20 5 DGBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](CC2CC2)C1 ZINC000339685307 433727636 /nfs/dbraw/zinc/72/76/36/433727636.db2.gz YEKXQUGIJXALOM-TZMCWYRMSA-N 0 1 317.389 3.044 20 5 DGBDMN Cc1nc(NCc2ccc(CN(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000301873929 433771761 /nfs/dbraw/zinc/77/17/61/433771761.db2.gz JPSPYCSGJYXESR-UHFFFAOYSA-N 0 1 318.352 3.111 20 5 DGBDMN O=[N+]([O-])c1cccc(Cc2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000356975929 433795843 /nfs/dbraw/zinc/79/58/43/433795843.db2.gz ADNMTRXXDIQDPL-UHFFFAOYSA-N 0 1 321.296 3.112 20 5 DGBDMN O=C(CN1CCC[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377534629 433908584 /nfs/dbraw/zinc/90/85/84/433908584.db2.gz VTGGFFOQXZRARG-CYBMUJFWSA-N 0 1 323.780 3.061 20 5 DGBDMN CCOC1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000285550642 433987816 /nfs/dbraw/zinc/98/78/16/433987816.db2.gz ROMJGXSGNGFCFG-UHFFFAOYSA-N 0 1 308.353 3.125 20 5 DGBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(C)cc(N)c1 ZINC000414970643 293898536 /nfs/dbraw/zinc/89/85/36/293898536.db2.gz VOGFUPKQWBEUTA-UHFFFAOYSA-N 0 1 315.373 3.174 20 5 DGBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000416282573 434084903 /nfs/dbraw/zinc/08/49/03/434084903.db2.gz CRRRPLBJXDZWSW-PWSUYJOCSA-N 0 1 322.409 3.167 20 5 DGBDMN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000506207378 294266225 /nfs/dbraw/zinc/26/62/25/294266225.db2.gz OGSAPZGTGNXPJP-DGCLKSJQSA-N 0 1 306.362 3.245 20 5 DGBDMN Cc1c(CNC(=O)c2ccc(O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000436886157 434152047 /nfs/dbraw/zinc/15/20/47/434152047.db2.gz FYZRJSCJFDXPNN-UHFFFAOYSA-N 0 1 320.732 3.192 20 5 DGBDMN C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC12CCCCC2 ZINC000363951387 434192719 /nfs/dbraw/zinc/19/27/19/434192719.db2.gz WPXBPGIUJALEGI-CYBMUJFWSA-N 0 1 306.410 3.121 20 5 DGBDMN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000286395259 434254522 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CC(C)c1nc(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])cs1 ZINC000837493768 630266638 /nfs/dbraw/zinc/26/66/38/630266638.db2.gz KWRPBDJGYKSYEH-UHFFFAOYSA-N 0 1 322.342 3.237 20 5 DGBDMN CC(=O)[C@@H](C)CCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837626546 630289161 /nfs/dbraw/zinc/28/91/61/630289161.db2.gz KGVVCUDMWKLRKY-NSHDSACASA-N 0 1 323.345 3.129 20 5 DGBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)c(C(F)(F)F)c1 ZINC000841159015 630412683 /nfs/dbraw/zinc/41/26/83/630412683.db2.gz BDDPJGSJSPYWLQ-AZTOOPQRSA-N 0 1 321.226 3.114 20 5 DGBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000841165784 630413002 /nfs/dbraw/zinc/41/30/02/630413002.db2.gz ZNPBFUUWIYLSHK-YUSALJHKSA-N 0 1 301.701 3.139 20 5 DGBDMN CC(C)c1ccc(-c2nc([C@H](N)C(C)C)no2)cc1[N+](=O)[O-] ZINC000843154219 630621937 /nfs/dbraw/zinc/62/19/37/630621937.db2.gz OCTUAJOOZLECND-CYBMUJFWSA-N 0 1 304.350 3.424 20 5 DGBDMN Cc1ncc2c(n1)CCC[C@@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848531771 631680953 /nfs/dbraw/zinc/68/09/53/631680953.db2.gz WEMRRRDGINIOCL-IRXDYDNUSA-N 0 1 324.384 3.348 20 5 DGBDMN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848531769 631681098 /nfs/dbraw/zinc/68/10/98/631681098.db2.gz WEMRRRDGINIOCL-DLBZAZTESA-N 0 1 324.384 3.348 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)c1ccsc1 ZINC000850437351 632152576 /nfs/dbraw/zinc/15/25/76/632152576.db2.gz OJAZBRZYJBSPML-QMTHXVAHSA-N 0 1 322.386 3.049 20 5 DGBDMN C[C@@H](CO)[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852422618 632601767 /nfs/dbraw/zinc/60/17/67/632601767.db2.gz GJXOOBZUOLHDIX-NHYWBVRUSA-N 0 1 312.797 3.231 20 5 DGBDMN C[C@@H]1COC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000932491994 655577514 /nfs/dbraw/zinc/57/75/14/655577514.db2.gz NXMFHTJKKPXRBT-HQJQHLMTSA-N 0 1 305.161 3.026 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@]12C[C@H]1COC21CCC1 ZINC000933383401 655710105 /nfs/dbraw/zinc/71/01/05/655710105.db2.gz QUMZYJFIGUWOKM-XHDPSFHLSA-N 0 1 308.765 3.049 20 5 DGBDMN CC[C@@](O)(CNC(C)(C)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000930554830 661410050 /nfs/dbraw/zinc/41/00/50/661410050.db2.gz PGSSOVHMMZDFSM-CYBMUJFWSA-N 0 1 320.311 3.123 20 5 DGBDMN CON(Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)c1csc(C)n1 ZINC000931541340 661486502 /nfs/dbraw/zinc/48/65/02/661486502.db2.gz AHJUMOPWESGKSR-SECBINFHSA-N 0 1 323.374 3.190 20 5 DGBDMN COC(=O)c1csc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932176827 661544662 /nfs/dbraw/zinc/54/46/62/661544662.db2.gz NGJWZIQQRRRESC-SNVBAGLBSA-N 0 1 320.370 3.294 20 5 DGBDMN CCCCC1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000934205466 661687812 /nfs/dbraw/zinc/68/78/12/661687812.db2.gz HCZCIWYDPFZWOC-UHFFFAOYSA-N 0 1 316.361 3.457 20 5 DGBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934701955 661727827 /nfs/dbraw/zinc/72/78/27/661727827.db2.gz UKFTTWOKBHKLNV-MRXNPFEDSA-N 0 1 301.321 3.370 20 5 DGBDMN CC[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000245441402 662233358 /nfs/dbraw/zinc/23/33/58/662233358.db2.gz VJVCTLDKRUYDQR-GDBMZVCRSA-N 0 1 314.389 3.265 20 5 DGBDMN Cc1cc(OCCCCCCc2cn[nH]n2)c(F)cc1[N+](=O)[O-] ZINC001577348883 1191894752 /nfs/dbraw/zinc/89/47/52/1191894752.db2.gz SOTPAYITLRELCT-UHFFFAOYSA-N 0 1 322.340 3.342 20 5 DGBDMN O=[N+]([O-])c1ccccc1CCNCc1csc(C2CC2)n1 ZINC001620920227 1192607734 /nfs/dbraw/zinc/60/77/34/1192607734.db2.gz FWQDGOJQRYGKTO-UHFFFAOYSA-N 0 1 303.387 3.261 20 5 DGBDMN CCC(=O)c1ccc(N[C@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000480064333 1178061235 /nfs/dbraw/zinc/06/12/35/1178061235.db2.gz STOQBAGMULCFRU-ABAIWWIYSA-N 0 1 317.389 3.082 20 5 DGBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001603257503 1193013057 /nfs/dbraw/zinc/01/30/57/1193013057.db2.gz JRJHYFOBKSKNQB-LBPRGKRZSA-N 0 1 324.352 3.057 20 5 DGBDMN C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(C(=O)[O-])co1 ZINC001604322192 1193064768 /nfs/dbraw/zinc/06/47/68/1193064768.db2.gz JFYMBOFAQNRAPS-VHSXEESVSA-N 0 1 304.302 3.298 20 5 DGBDMN C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(C(=O)[O-])co1 ZINC001604322191 1193064899 /nfs/dbraw/zinc/06/48/99/1193064899.db2.gz JFYMBOFAQNRAPS-UWVGGRQHSA-N 0 1 304.302 3.298 20 5 DGBDMN CC1(C)C(C)(C)C1(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001439903436 1182020120 /nfs/dbraw/zinc/02/01/20/1182020120.db2.gz YFHWWYLUFQKURI-UHFFFAOYSA-N 0 1 316.361 3.026 20 5 DGBDMN O=C(O[C@@H]1CCC[C@H]1Cc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001459301206 1182579159 /nfs/dbraw/zinc/57/91/59/1182579159.db2.gz OOLZNNIEEDHSCK-ZGKBOVNRSA-N 0 1 323.776 3.260 20 5 DGBDMN Cn1cc(CN2CCC(C3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC001460368882 1182683571 /nfs/dbraw/zinc/68/35/71/1182683571.db2.gz LOGOETXIESPHON-UHFFFAOYSA-N 0 1 306.410 3.121 20 5 DGBDMN Cc1ccc(CNc2cnn(-c3ccncc3)c2)cc1[N+](=O)[O-] ZINC001461138834 1182772620 /nfs/dbraw/zinc/77/26/20/1182772620.db2.gz CICIXXDHIFYZMJ-UHFFFAOYSA-N 0 1 309.329 3.096 20 5 DGBDMN O=[N+]([O-])c1ccc(CCNCc2c(F)cc(F)cc2F)cc1 ZINC001462566725 1182970410 /nfs/dbraw/zinc/97/04/10/1182970410.db2.gz PQEMYAKMBMNOGM-UHFFFAOYSA-N 0 1 310.275 3.344 20 5 DGBDMN COc1ccc(C[C@H]2CCN2Cc2ccccc2[N+](=O)[O-])cc1 ZINC001473217614 1183732506 /nfs/dbraw/zinc/73/25/06/1183732506.db2.gz BWVLNCPVIZPGGV-MRXNPFEDSA-N 0 1 312.369 3.420 20 5 DGBDMN Cc1c(CNc2cnccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC001474086206 1183865162 /nfs/dbraw/zinc/86/51/62/1183865162.db2.gz SNHJXUQHZVCAMA-UHFFFAOYSA-N 0 1 309.329 3.096 20 5 DGBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN(C)Cc1cccc(=O)[nH]1 ZINC001474721229 1183967543 /nfs/dbraw/zinc/96/75/43/1183967543.db2.gz URFASKLORUENBW-LCYFTJDESA-N 0 1 313.357 3.231 20 5 DGBDMN O=C([O-])[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC001610720287 1193404936 /nfs/dbraw/zinc/40/49/36/1193404936.db2.gz IKTFSDOFOZZKJT-CQSZACIVSA-N 0 1 320.732 3.164 20 5 DGBDMN O=C(N[C@@H](CC1CCCC1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001519562323 1186882610 /nfs/dbraw/zinc/88/26/10/1186882610.db2.gz YXCCAQZKWHLEOF-OWCLPIDISA-N 0 1 302.374 3.089 20 5 DGBDMN CC(C)(C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC001534016792 1187869317 /nfs/dbraw/zinc/86/93/17/1187869317.db2.gz HZXKHRVRZPJDNC-HZSPNIEDSA-N 0 1 308.353 3.084 20 5 DGBDMN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c3ncccc23)[nH]n1 ZINC001548512578 1188457591 /nfs/dbraw/zinc/45/75/91/1188457591.db2.gz QZIZYTIOZVISPJ-SNVBAGLBSA-N 0 1 311.345 3.218 20 5 DGBDMN Cc1cc([C@H]2CCCCN2C(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC001558569437 1189135484 /nfs/dbraw/zinc/13/54/84/1189135484.db2.gz ULGWRINSVRWPJZ-GFCCVEGCSA-N 0 1 320.374 3.055 20 5 DGBDMN CCC1(CC)CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001560119651 1189280301 /nfs/dbraw/zinc/28/03/01/1189280301.db2.gz MNWCUNZVLWTPGG-UHFFFAOYSA-N 0 1 319.405 3.496 20 5 DGBDMN CC(C)C1CCC(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001566320471 1189762196 /nfs/dbraw/zinc/76/21/96/1189762196.db2.gz LYSMKCPAMPFXSQ-UHFFFAOYSA-N 0 1 320.389 3.493 20 5 DGBDMN CC(C)=CCC[C@@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001575390443 1191477947 /nfs/dbraw/zinc/47/79/47/1191477947.db2.gz UXHIZMRZFMSLTQ-CXAGYDPISA-N 0 1 319.405 3.020 20 5 DGBDMN O=[N+]([O-])c1ccc(O)cc1CN1Cc2ccc(Cl)cc2C1 ZINC001618438076 1193738921 /nfs/dbraw/zinc/73/89/21/1193738921.db2.gz CKXIQQGKKLFJQB-UHFFFAOYSA-N 0 1 304.733 3.470 20 5 DGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc2nc[nH]c21 ZINC001623974551 1193974135 /nfs/dbraw/zinc/97/41/35/1193974135.db2.gz DYZWGHQLDHHBGT-UHFFFAOYSA-N 0 1 310.313 3.340 20 5 DGBDMN Cc1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1O ZINC001624471246 1193999232 /nfs/dbraw/zinc/99/92/32/1193999232.db2.gz JXAJXJAXAHOWHI-UHFFFAOYSA-N 0 1 307.689 3.481 20 5 DGBDMN Cc1ccc(NC(=O)c2[nH]cnc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001624719155 1194011421 /nfs/dbraw/zinc/01/14/21/1194011421.db2.gz LQQOQDIIPAJBAC-UHFFFAOYSA-N 0 1 302.334 3.176 20 5 DGBDMN Cc1nc2cccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2[nH]1 ZINC001634545775 1194501061 /nfs/dbraw/zinc/50/10/61/1194501061.db2.gz VQFYIUGDWJRNKR-JTQLQIEISA-N 0 1 324.340 3.271 20 5 DGBDMN C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001652233754 1195566520 /nfs/dbraw/zinc/56/65/20/1195566520.db2.gz AOSHUMREJJZAGL-GFCCVEGCSA-N 0 1 307.369 3.187 20 5 DGBDMN CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001652753078 1195647217 /nfs/dbraw/zinc/64/72/17/1195647217.db2.gz HKFZLVGAGSZTPQ-HOTGVXAUSA-N 0 1 322.405 3.326 20 5 DGBDMN CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001653360579 1195714117 /nfs/dbraw/zinc/71/41/17/1195714117.db2.gz RWIUGIQGUSZOMH-KBPBESRZSA-N 0 1 319.405 3.434 20 5 DGBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)CC(C)(C)C1 ZINC001653868230 1195756210 /nfs/dbraw/zinc/75/62/10/1195756210.db2.gz LRKDXKYNCNUGKE-QWHCGFSZSA-N 0 1 319.405 3.290 20 5 DGBDMN COc1c(O)ccc(CNC/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC001657537516 1196153080 /nfs/dbraw/zinc/15/30/80/1196153080.db2.gz QTXYPEFUHMDLAD-YVMONPNESA-N 0 1 314.341 3.112 20 5 DGBDMN CCC[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001660495163 1196490728 /nfs/dbraw/zinc/49/07/28/1196490728.db2.gz SNHVRWFGCGHJPA-ZDUSSCGKSA-N 0 1 305.378 3.106 20 5 DGBDMN CO[C@@](C)(CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC001663641159 1196919483 /nfs/dbraw/zinc/91/94/83/1196919483.db2.gz JBPMAINJJGKXQJ-HNNXBMFYSA-N 0 1 312.797 3.495 20 5 DGBDMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001594215762 959326898 /nfs/dbraw/zinc/32/68/98/959326898.db2.gz HPMWMUDBFBXZON-NOZJJQNGSA-N 0 1 312.753 3.076 20 5 DGBDMN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC001599901835 984846497 /nfs/dbraw/zinc/84/64/97/984846497.db2.gz WQSSWZABPREASF-JTQLQIEISA-N 0 1 318.304 3.283 20 5 DGBDMN C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cncc(C(=O)[O-])c1 ZINC001593354524 994992911 /nfs/dbraw/zinc/99/29/11/994992911.db2.gz SGBAINLFIGOWHB-GHMZBOCLSA-N 0 1 315.329 3.100 20 5 DGBDMN COc1ccc(C[C@@H](C)N2CCCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329778 1082347538 /nfs/dbraw/zinc/34/75/38/1082347538.db2.gz UHZIFHVLBUQJIM-OCCSQVGLSA-N 0 1 310.369 3.358 20 5 DGBDMN CCCN(CCN1CCCC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC001163265542 1090134457 /nfs/dbraw/zinc/13/44/57/1090134457.db2.gz LZAOWSXFVRTXDY-UHFFFAOYSA-N 0 1 313.348 3.185 20 5 DGBDMN Cc1cnc(CN)n1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001158164156 1090194627 /nfs/dbraw/zinc/19/46/27/1090194627.db2.gz HAMKDOZCBCCVHG-UHFFFAOYSA-N 0 1 323.787 3.389 20 5 DGBDMN Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001295853358 1091653969 /nfs/dbraw/zinc/65/39/69/1091653969.db2.gz BLZGFQQAMGYYEH-GFCCVEGCSA-N 0 1 314.341 3.408 20 5 DGBDMN C[C@@H]1C(=O)NCCN1Cc1c2ccccc2cc2ccccc21 ZINC001141728603 1092324572 /nfs/dbraw/zinc/32/45/72/1092324572.db2.gz ZFBZOCRTXPIZEM-CQSZACIVSA-N 0 1 304.393 3.313 20 5 DGBDMN COC(=O)c1c(F)cc(F)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397911 1093153557 /nfs/dbraw/zinc/15/35/57/1093153557.db2.gz IBBXPJUGXFXUIS-UHFFFAOYSA-N 0 1 324.239 3.109 20 5 DGBDMN Cc1c(Nc2ccc3nccn3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291805 1093446822 /nfs/dbraw/zinc/44/68/22/1093446822.db2.gz CYTBFJBSRYIKPY-UHFFFAOYSA-N 0 1 313.273 3.203 20 5 DGBDMN CC1(C)C[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CC[NH2+]1 ZINC001218474154 1094797081 /nfs/dbraw/zinc/79/70/81/1094797081.db2.gz BREXQNHCSADTLF-MRVPVSSYSA-N 0 1 324.768 3.034 20 5 DGBDMN CSc1cccnc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001144820919 1095832878 /nfs/dbraw/zinc/83/28/78/1095832878.db2.gz VJJSLTPSQMOUKK-UHFFFAOYSA-N 0 1 307.306 3.103 20 5 DGBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H](c1cccnc1)C(F)(F)F ZINC001225492647 1096446668 /nfs/dbraw/zinc/44/66/68/1096446668.db2.gz ZLCLOMJYSLBURK-GFCCVEGCSA-N 0 1 314.219 3.378 20 5 DGBDMN C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001225490436 1096447132 /nfs/dbraw/zinc/44/71/32/1096447132.db2.gz IKBMAOPTMQTNSR-VIFPVBQESA-N 0 1 304.258 3.349 20 5 DGBDMN CC(C)N1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181643 1096631039 /nfs/dbraw/zinc/63/10/39/1096631039.db2.gz SODPQRUEWMBQPN-JTQLQIEISA-N 0 1 300.305 3.125 20 5 DGBDMN CCN1CCC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908109 1096812582 /nfs/dbraw/zinc/81/25/82/1096812582.db2.gz DDRBWXMPVKZBAZ-VIFPVBQESA-N 0 1 302.733 3.250 20 5 DGBDMN CN1CCC[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228179546 1097068584 /nfs/dbraw/zinc/06/85/84/1097068584.db2.gz IRVQHDIFMHDLFG-CQSZACIVSA-N 0 1 309.365 3.419 20 5 DGBDMN CC[C@H]1CCCC[C@@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604895 1097151439 /nfs/dbraw/zinc/15/14/39/1097151439.db2.gz XTXLUQBWUJCTDO-ONGXEEELSA-N 0 1 307.350 3.315 20 5 DGBDMN O=[N+]([O-])c1ccncc1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001228879076 1097209479 /nfs/dbraw/zinc/20/94/79/1097209479.db2.gz BNHPAYSQUQFFRW-OAHLLOKOSA-N 0 1 313.357 3.033 20 5 DGBDMN CC1(C)CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172912458 1097277226 /nfs/dbraw/zinc/27/72/26/1097277226.db2.gz ARISYSNVWPAVAH-HNNXBMFYSA-N 0 1 316.401 3.143 20 5 DGBDMN Cc1nc(O[C@H](c2ccccc2)C(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378630 1097309909 /nfs/dbraw/zinc/30/99/09/1097309909.db2.gz HQCJIHCIRBAJAP-ZDUSSCGKSA-N 0 1 303.318 3.175 20 5 DGBDMN C[NH+]1C(C)(C)CC(Oc2cc([N+](=O)[O-])ccc2[O-])CC1(C)C ZINC001229395712 1097311766 /nfs/dbraw/zinc/31/17/66/1097311766.db2.gz JZPIVGYNOPWLPB-UHFFFAOYSA-N 0 1 308.378 3.331 20 5 DGBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC23CC3)c1F ZINC001173186831 1097357725 /nfs/dbraw/zinc/35/77/25/1097357725.db2.gz VNXFSGGRXKEQDO-NSHDSACASA-N 0 1 308.353 3.302 20 5 DGBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC(C)CC2)c1F ZINC001173187058 1097358059 /nfs/dbraw/zinc/35/80/59/1097358059.db2.gz VYTGPKNOAUGMTE-LBPRGKRZSA-N 0 1 310.369 3.405 20 5 DGBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1ccccc1F ZINC001173216024 1097367783 /nfs/dbraw/zinc/36/77/83/1097367783.db2.gz HFBOBDQVCOVLCK-LBPRGKRZSA-N 0 1 316.332 3.137 20 5 DGBDMN CC(C)[C@@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])C(F)(F)F ZINC001230593758 1097523891 /nfs/dbraw/zinc/52/38/91/1097523891.db2.gz AZMLPNDPKKQOPG-LLVKDONJSA-N 0 1 303.240 3.437 20 5 DGBDMN 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C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1nc2ccccc2o1 ZINC001254534275 1106095899 /nfs/dbraw/zinc/09/58/99/1106095899.db2.gz VGZLZPPDMXTVPE-GFCCVEGCSA-N 0 1 311.341 3.457 20 5 DGBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ncccc1Cl ZINC001254538380 1106097611 /nfs/dbraw/zinc/09/76/11/1106097611.db2.gz UCKMIYGDUQKPJW-NSHDSACASA-N 0 1 305.765 3.364 20 5 DGBDMN CC(C)c1ccc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)cc1 ZINC001264260865 1108449795 /nfs/dbraw/zinc/44/97/95/1108449795.db2.gz WLBCCLVIADZLTN-BZUAXINKSA-N 0 1 304.390 3.289 20 5 DGBDMN Cc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C(C)C)n[nH]2)cc1Cl ZINC001325236830 1108602807 /nfs/dbraw/zinc/60/28/07/1108602807.db2.gz WBRBDWBPJDGWFC-UHFFFAOYSA-N 0 1 323.740 3.050 20 5 DGBDMN Cc1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(C(C)C)n2)cc1Cl ZINC001325236830 1108602814 /nfs/dbraw/zinc/60/28/14/1108602814.db2.gz WBRBDWBPJDGWFC-UHFFFAOYSA-N 0 1 323.740 3.050 20 5 DGBDMN O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001265039884 1108709815 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DSAYPIZMAGWUFT-GFCCVEGCSA-N 0 1 318.760 3.211 20 5 DGBDMN C[C@@]1(CCCO)CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000272027886 209397667 /nfs/dbraw/zinc/39/76/67/209397667.db2.gz OEMHAGCJZVJXBD-HNNXBMFYSA-N 0 1 312.797 3.375 20 5 DGBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000195413181 201386313 /nfs/dbraw/zinc/38/63/13/201386313.db2.gz XJLLDTWMFRRANH-LLVKDONJSA-N 0 1 316.361 3.022 20 5 DGBDMN O=[N+]([O-])c1ccc2[nH]c(CN3C[C@@H]4CCCC[C@@H]4C3)nc2c1 ZINC000444649442 239314029 /nfs/dbraw/zinc/31/40/29/239314029.db2.gz JLUOHZCYJPNHPK-TXEJJXNPSA-N 0 1 300.362 3.093 20 5 DGBDMN Cc1nc2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cc2[nH]1 ZINC000445251756 239399086 /nfs/dbraw/zinc/39/90/86/239399086.db2.gz RASYCGGNKNSNNC-UHFFFAOYSA-N 0 1 310.313 3.340 20 5 DGBDMN CC1(F)CC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000449371227 240160759 /nfs/dbraw/zinc/16/07/59/240160759.db2.gz RRNZOUCLUNIDMQ-UHFFFAOYSA-N 0 1 304.268 3.176 20 5 DGBDMN CC[C@@H](NCc1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 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315.373 3.414 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)CCC[C@@H]1C ZINC000125398689 284275272 /nfs/dbraw/zinc/27/52/72/284275272.db2.gz KOBUKJONWPENAK-JSGCOSHPSA-N 0 1 319.405 3.352 20 5 DGBDMN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000288225974 220029378 /nfs/dbraw/zinc/02/93/78/220029378.db2.gz NEAFHKUQKXKFAX-WCQYABFASA-N 0 1 318.402 3.126 20 5 DGBDMN COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000126414633 284304474 /nfs/dbraw/zinc/30/44/74/284304474.db2.gz XKBXKXYRVXFBFM-LBPRGKRZSA-N 0 1 301.346 3.158 20 5 DGBDMN CCc1nc(CSc2nc3ccc([N+](=O)[O-])cc3s2)n[nH]1 ZINC000274713509 211861369 /nfs/dbraw/zinc/86/13/69/211861369.db2.gz FGIIOZZXTAOOTN-UHFFFAOYSA-N 0 1 321.387 3.177 20 5 DGBDMN Cc1cc(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000271678527 209119159 /nfs/dbraw/zinc/11/91/59/209119159.db2.gz YOQRDGSWDMNOCT-UHFFFAOYSA-N 0 1 300.362 3.006 20 5 DGBDMN C[C@]1(NCc2c(Cl)cccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000494799351 246193802 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PELKRSDZRVWANH-LLVKDONJSA-N 0 1 300.314 3.134 20 5 DGBDMN CC(C)c1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356372077 266371297 /nfs/dbraw/zinc/37/12/97/266371297.db2.gz XLOQBTZAOTTYOF-UHFFFAOYSA-N 0 1 314.341 3.354 20 5 DGBDMN CCCc1[nH]nc(C(=O)N2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000270516940 432254599 /nfs/dbraw/zinc/25/45/99/432254599.db2.gz ZSPFIZCVOAUENM-UHFFFAOYSA-N 0 1 320.393 3.089 20 5 DGBDMN C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000279056527 274256132 /nfs/dbraw/zinc/25/61/32/274256132.db2.gz KNIROBOXGLITTN-BDJLRTHQSA-N 0 1 314.389 3.402 20 5 DGBDMN CC[C@@]1(C)CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000302649523 276538302 /nfs/dbraw/zinc/53/83/02/276538302.db2.gz JSPFHQUFQMLEBC-KRWDZBQOSA-N 0 1 315.373 3.457 20 5 DGBDMN C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)N1 ZINC000179159265 278683428 /nfs/dbraw/zinc/68/34/28/278683428.db2.gz UFZWWBLFUBQLNH-OKILXGFUSA-N 0 1 319.408 3.210 20 5 DGBDMN CC[C@H](C)CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111255299 431203024 /nfs/dbraw/zinc/20/30/24/431203024.db2.gz OALMKWRFMLBHCI-NSHDSACASA-N 0 1 304.350 3.123 20 5 DGBDMN COC(=O)CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000116280907 431499720 /nfs/dbraw/zinc/49/97/20/431499720.db2.gz GCJXDCMWWJELCN-UHFFFAOYSA-N 0 1 314.769 3.022 20 5 DGBDMN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280293 431500649 /nfs/dbraw/zinc/50/06/49/431500649.db2.gz QRKUXKCYNUUVDF-HIFRSBDPSA-N 0 1 312.797 3.374 20 5 DGBDMN CC[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000078281835 431652891 /nfs/dbraw/zinc/65/28/91/431652891.db2.gz QTTXDTTUHIXYCJ-CYBMUJFWSA-N 0 1 316.361 3.409 20 5 DGBDMN CC(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1Cl ZINC000119388840 431687346 /nfs/dbraw/zinc/68/73/46/431687346.db2.gz YJEOXCKMMMWHHM-LBPRGKRZSA-N 0 1 322.752 3.098 20 5 DGBDMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000123095666 431855334 /nfs/dbraw/zinc/85/53/34/431855334.db2.gz PLVKYVZJLGATNH-PHIMTYICSA-N 0 1 302.334 3.018 20 5 DGBDMN C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125307445 431921125 /nfs/dbraw/zinc/92/11/25/431921125.db2.gz VLVFULDLZPRVOG-QWHCGFSZSA-N 0 1 305.378 3.044 20 5 DGBDMN C[C@@H]1CCC[C@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125307445 431921128 /nfs/dbraw/zinc/92/11/28/431921128.db2.gz VLVFULDLZPRVOG-QWHCGFSZSA-N 0 1 305.378 3.044 20 5 DGBDMN C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090221493 431890066 /nfs/dbraw/zinc/89/00/66/431890066.db2.gz BVGIAGXYQGRSPF-YTEVENLXSA-N 0 1 318.398 3.183 20 5 DGBDMN CCC[C@@H](NCc1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090887661 431896574 /nfs/dbraw/zinc/89/65/74/431896574.db2.gz WXVAIIDIRDIVLS-MRXNPFEDSA-N 0 1 302.378 3.268 20 5 DGBDMN C[C@@H](c1ccccn1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127961655 431984345 /nfs/dbraw/zinc/98/43/45/431984345.db2.gz BDDXSEDDVSLJSX-ZDUSSCGKSA-N 0 1 301.346 3.062 20 5 DGBDMN CC[C@]1(C)CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269557851 281311837 /nfs/dbraw/zinc/31/18/37/281311837.db2.gz ZQHQVBIMCAFOBL-OAHLLOKOSA-N 0 1 308.382 3.094 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128376864 431992908 /nfs/dbraw/zinc/99/29/08/431992908.db2.gz KKRCRZOZLVLZHA-ZBFHGGJFSA-N 0 1 318.352 3.204 20 5 DGBDMN COC[C@H](Cc1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000191480340 432269661 /nfs/dbraw/zinc/26/96/61/432269661.db2.gz BWRWIWKWUWAXOA-KRWDZBQOSA-N 0 1 314.385 3.284 20 5 DGBDMN C[C@@H](NCc1cccnc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000173314822 432272088 /nfs/dbraw/zinc/27/20/88/432272088.db2.gz MHTFMYQQTOIOGD-CYBMUJFWSA-N 0 1 323.356 3.026 20 5 DGBDMN CC[N@@H+](CCCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271212181 432354936 /nfs/dbraw/zinc/35/49/36/432354936.db2.gz VFLUNMFJZSFWTJ-UHFFFAOYSA-N 0 1 304.346 3.059 20 5 DGBDMN COc1cc(CSc2nc(C3CC3)n[nH]2)c([N+](=O)[O-])cc1F ZINC000183847842 432330622 /nfs/dbraw/zinc/33/06/22/432330622.db2.gz OGDTWWBPHBHVGC-UHFFFAOYSA-N 0 1 324.337 3.030 20 5 DGBDMN COc1cc(CSc2n[nH]c(C3CC3)n2)c([N+](=O)[O-])cc1F ZINC000183847842 432330625 /nfs/dbraw/zinc/33/06/25/432330625.db2.gz OGDTWWBPHBHVGC-UHFFFAOYSA-N 0 1 324.337 3.030 20 5 DGBDMN Cc1cnc(C(C)(C)NCCOc2cccc([N+](=O)[O-])c2)s1 ZINC000183964013 432340746 /nfs/dbraw/zinc/34/07/46/432340746.db2.gz QNPUXTWKKINDJM-UHFFFAOYSA-N 0 1 321.402 3.263 20 5 DGBDMN CC(C)(C)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000270944744 432305692 /nfs/dbraw/zinc/30/56/92/432305692.db2.gz GGKOHAJMMQTWPU-GFCCVEGCSA-N 0 1 316.361 3.225 20 5 DGBDMN Cc1ccc2nc(CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1 ZINC000174896894 432376800 /nfs/dbraw/zinc/37/68/00/432376800.db2.gz HFIUTHDXDDHFPR-UHFFFAOYSA-N 0 1 324.340 3.018 20 5 DGBDMN CN1CCCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000192466130 432378060 /nfs/dbraw/zinc/37/80/60/432378060.db2.gz ORMDVLTVKPGPOR-UHFFFAOYSA-N 0 1 319.408 3.166 20 5 DGBDMN Cc1c([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000271411394 432391369 /nfs/dbraw/zinc/39/13/69/432391369.db2.gz ABNHKYAGQNWHIG-WBMJQRKESA-N 0 1 318.348 3.427 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1-c1nc(C2(N)CCCCC2)no1 ZINC000261836861 432455097 /nfs/dbraw/zinc/45/50/97/432455097.db2.gz CBQACLGEVBKOSR-UHFFFAOYSA-N 0 1 302.334 3.071 20 5 DGBDMN O=[N+]([O-])c1ccc(-c2nc3ccc(Br)cc3[nH]2)o1 ZINC000154727936 432517576 /nfs/dbraw/zinc/51/75/76/432517576.db2.gz WUMYEKDERBJTNS-UHFFFAOYSA-N 0 1 308.091 3.494 20 5 DGBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000194066881 432521385 /nfs/dbraw/zinc/52/13/85/432521385.db2.gz ZNBYBKACBXXWSV-UHFFFAOYSA-N 0 1 312.373 3.066 20 5 DGBDMN Cc1cc(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000273196362 432564409 /nfs/dbraw/zinc/56/44/09/432564409.db2.gz DMXCITIHAYLIHT-UHFFFAOYSA-N 0 1 321.768 3.059 20 5 DGBDMN Cc1cc(C2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000273341443 432587073 /nfs/dbraw/zinc/58/70/73/432587073.db2.gz SWSOICNXOPFAAL-UHFFFAOYSA-N 0 1 300.362 3.319 20 5 DGBDMN C[C@@H]1CCCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000195666806 432633343 /nfs/dbraw/zinc/63/33/43/432633343.db2.gz JOLGWDOVSDCYQI-GHMZBOCLSA-N 0 1 316.361 3.027 20 5 DGBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccsc1)N(C)C ZINC000264445797 432646208 /nfs/dbraw/zinc/64/62/08/432646208.db2.gz GSSYAGDJRMWSTF-ZDUSSCGKSA-N 0 1 306.391 3.075 20 5 DGBDMN Cc1nc([C@H]2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000276239869 282000309 /nfs/dbraw/zinc/00/03/09/282000309.db2.gz PHVODWKHNLSETB-JTQLQIEISA-N 0 1 321.768 3.059 20 5 DGBDMN Cc1nnc([C@H]2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000276239869 282000310 /nfs/dbraw/zinc/00/03/10/282000310.db2.gz PHVODWKHNLSETB-JTQLQIEISA-N 0 1 321.768 3.059 20 5 DGBDMN CO[C@H](C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000188133231 432707603 /nfs/dbraw/zinc/70/76/03/432707603.db2.gz QLYMSJHSUUKCAI-CXAGYDPISA-N 0 1 300.358 3.309 20 5 DGBDMN CSc1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188238387 432713072 /nfs/dbraw/zinc/71/30/72/432713072.db2.gz WUWSGEASAOHERT-UHFFFAOYSA-N 0 1 324.383 3.118 20 5 DGBDMN Cc1ccnc(NC[C@@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000265231552 432677639 /nfs/dbraw/zinc/67/76/39/432677639.db2.gz NAHHQAOKGLNDGQ-LBPRGKRZSA-N 0 1 306.391 3.075 20 5 DGBDMN C[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651668 432761145 /nfs/dbraw/zinc/76/11/45/432761145.db2.gz MPVHTDITBMFELK-NSHDSACASA-N 0 1 317.320 3.023 20 5 DGBDMN Cc1cnn([C@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000266531621 432762388 /nfs/dbraw/zinc/76/23/88/432762388.db2.gz MICGGSVSNDVOKT-GJZGRUSLSA-N 0 1 314.389 3.498 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC2(C1)CCOCC2 ZINC000266966328 432803696 /nfs/dbraw/zinc/80/36/96/432803696.db2.gz ZMZCBNXQRMDTQL-UHFFFAOYSA-N 0 1 310.781 3.251 20 5 DGBDMN CC[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000330663199 432924105 /nfs/dbraw/zinc/92/41/05/432924105.db2.gz SSOVXCPFLHQDAJ-CHWSQXEVSA-N 0 1 305.378 3.105 20 5 DGBDMN CC(C)(C)[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331559034 432948327 /nfs/dbraw/zinc/94/83/27/432948327.db2.gz USTFBANYAIPHNP-CQSZACIVSA-N 0 1 302.378 3.482 20 5 DGBDMN CCC[C@H](NCc1n[nH]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000296450585 432910206 /nfs/dbraw/zinc/91/02/06/432910206.db2.gz MSJVOTPSTWLEJG-AWEZNQCLSA-N 0 1 315.377 3.221 20 5 DGBDMN Cc1c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289480031 432964818 /nfs/dbraw/zinc/96/48/18/432964818.db2.gz IEGFXPLJSZLMJI-IRXDYDNUSA-N 0 1 316.401 3.437 20 5 DGBDMN CC[C@@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000341169768 432981839 /nfs/dbraw/zinc/98/18/39/432981839.db2.gz ORLQXNLOTAECJK-GFCCVEGCSA-N 0 1 302.334 3.019 20 5 DGBDMN CN(CC[C@H](O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000290176454 433006540 /nfs/dbraw/zinc/00/65/40/433006540.db2.gz DZXLPGLWNDVMPQ-KRWDZBQOSA-N 0 1 300.358 3.150 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000446891212 433122969 /nfs/dbraw/zinc/12/29/69/433122969.db2.gz VQDXRVYCWGCOON-GOSISDBHSA-N 0 1 311.385 3.396 20 5 DGBDMN CCC[C@@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298419158 433128115 /nfs/dbraw/zinc/12/81/15/433128115.db2.gz KXFGHFGREGQYIC-LLVKDONJSA-N 0 1 304.350 3.265 20 5 DGBDMN O=[N+]([O-])c1ccc2[nH]c(CNCC=Cc3ccccc3)nc2c1 ZINC000446832214 433108917 /nfs/dbraw/zinc/10/89/17/433108917.db2.gz NLWQHRWLMIFLFD-QPJJXVBHSA-N 0 1 308.341 3.274 20 5 DGBDMN CC(C)n1cncc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000425387421 433216960 /nfs/dbraw/zinc/21/69/60/433216960.db2.gz UXQVYOCCYPEFEY-UHFFFAOYSA-N 0 1 302.378 3.047 20 5 DGBDMN CN1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000447819159 433287407 /nfs/dbraw/zinc/28/74/07/433287407.db2.gz XJONFAZDGZPAII-GFCCVEGCSA-N 0 1 312.801 3.176 20 5 DGBDMN CC(C)(C)[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000447830809 433292588 /nfs/dbraw/zinc/29/25/88/433292588.db2.gz LNEXJRZJEIZEEQ-MRXNPFEDSA-N 0 1 322.405 3.111 20 5 DGBDMN Cc1cc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301110271 433419420 /nfs/dbraw/zinc/41/94/20/433419420.db2.gz OPAHWDCYRRTFRM-KBPBESRZSA-N 0 1 321.421 3.203 20 5 DGBDMN Cc1nn(C)c(Sc2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000301256008 433474056 /nfs/dbraw/zinc/47/40/56/433474056.db2.gz FMJXZWSLTCNHRU-UHFFFAOYSA-N 0 1 323.765 3.318 20 5 DGBDMN Cc1cc(N[C@@H](C)c2n[nH]c(C(C)C)n2)c(F)cc1[N+](=O)[O-] ZINC000292504523 433570045 /nfs/dbraw/zinc/57/00/45/433570045.db2.gz FZFTVDKPPANWMX-VIFPVBQESA-N 0 1 307.329 3.457 20 5 DGBDMN CC[C@H](NCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000342289802 433589496 /nfs/dbraw/zinc/58/94/96/433589496.db2.gz PWHPTVXAPOGMER-PBHICJAKSA-N 0 1 305.422 3.367 20 5 DGBDMN O=[N+]([O-])c1ccccc1NCCc1nc2ccc(F)cc2[nH]1 ZINC000301539850 433603057 /nfs/dbraw/zinc/60/30/57/433603057.db2.gz NRTIMDUDRAPGTQ-UHFFFAOYSA-N 0 1 300.293 3.265 20 5 DGBDMN Cc1cc(C)cc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356542500 433614831 /nfs/dbraw/zinc/61/48/31/433614831.db2.gz ACSUHLPXZJNDGJ-GFCCVEGCSA-N 0 1 314.341 3.408 20 5 DGBDMN Cc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414491061 433662056 /nfs/dbraw/zinc/66/20/56/433662056.db2.gz WPAJSZKRBUZXBH-SJLPKXTDSA-N 0 1 312.369 3.211 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCCC3(CCOCC3)C2)cc1F ZINC000283210508 433688337 /nfs/dbraw/zinc/68/83/37/433688337.db2.gz RYULZPPFHKGZIA-UHFFFAOYSA-N 0 1 308.353 3.127 20 5 DGBDMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356791096 433699556 /nfs/dbraw/zinc/69/95/56/433699556.db2.gz XZSLRUNAYFSUHC-NHYWBVRUSA-N 0 1 306.362 3.341 20 5 DGBDMN COc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000374008596 293341611 /nfs/dbraw/zinc/34/16/11/293341611.db2.gz RBQCUINTKLTPHB-ZDUSSCGKSA-N 0 1 302.330 3.186 20 5 DGBDMN CCOc1cc(N[C@H]2CCCc3cn[nH]c32)ccc1[N+](=O)[O-] ZINC000356833029 433718891 /nfs/dbraw/zinc/71/88/91/433718891.db2.gz VXOMZZMXZFUCHA-LBPRGKRZSA-N 0 1 302.334 3.206 20 5 DGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC2CC2)C1 ZINC000339683111 433728407 /nfs/dbraw/zinc/72/84/07/433728407.db2.gz MKGQNTDABCFHQK-OCCSQVGLSA-N 0 1 317.389 3.044 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000293672614 433823715 /nfs/dbraw/zinc/82/37/15/433823715.db2.gz GNTJHHYUQAOMON-CQSZACIVSA-N 0 1 320.393 3.092 20 5 DGBDMN O=[N+]([O-])c1ccsc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000301930541 433800593 /nfs/dbraw/zinc/80/05/93/433800593.db2.gz KRVPZWWBHMHQFK-LBPRGKRZSA-N 0 1 307.375 3.498 20 5 DGBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1Cl ZINC000339951424 433870170 /nfs/dbraw/zinc/87/01/70/433870170.db2.gz VDVGZVXAGQYBIT-AWEZNQCLSA-N 0 1 320.780 3.358 20 5 DGBDMN CC[C@@H](C)c1nc([C@H](C)NCc2csc([N+](=O)[O-])c2)n[nH]1 ZINC000362921881 433910437 /nfs/dbraw/zinc/91/04/37/433910437.db2.gz AFGLEVRAQQDSHA-BDAKNGLRSA-N 0 1 309.395 3.139 20 5 DGBDMN CC(C)[C@]1(CO)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377654253 433942865 /nfs/dbraw/zinc/94/28/65/433942865.db2.gz QVCNXGZCYAIVHV-OAHLLOKOSA-N 0 1 312.797 3.089 20 5 DGBDMN CCc1ccc([C@@H](O)CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000285517602 433981025 /nfs/dbraw/zinc/98/10/25/433981025.db2.gz 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DGBDMN CC(=O)Nc1cccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000074336982 431416229 /nfs/dbraw/zinc/41/62/29/431416229.db2.gz HUJJAAACDPOWPE-LBPRGKRZSA-N 0 1 313.357 3.404 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]3CCC[C@@H]32)c2c(c1)COCO2 ZINC000075769325 431495537 /nfs/dbraw/zinc/49/55/37/431495537.db2.gz HEJJDICQZTZMRQ-WBMJQRKESA-N 0 1 318.373 3.226 20 5 DGBDMN Cc1cc(N2CCCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181501130 280550256 /nfs/dbraw/zinc/55/02/56/280550256.db2.gz WZVYUIUJGOKMPR-LBPRGKRZSA-N 0 1 301.346 3.067 20 5 DGBDMN COc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1OC ZINC000079723753 431742243 /nfs/dbraw/zinc/74/22/43/431742243.db2.gz JKZKSIXZNGXMNV-GFCCVEGCSA-N 0 1 316.357 3.463 20 5 DGBDMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000123087968 431854996 /nfs/dbraw/zinc/85/49/96/431854996.db2.gz JJZQVRKIWHIIIH-QWRGUYRKSA-N 0 1 302.334 3.018 20 5 DGBDMN C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000122606710 431839385 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RWPCCXXOUCRYAJ-AWEZNQCLSA-N 0 1 312.797 3.279 20 5 DGBDMN Cc1ccc([C@@H](C)NCc2ccc3nonc3c2)cc1[N+](=O)[O-] ZINC000821402628 628364184 /nfs/dbraw/zinc/36/41/84/628364184.db2.gz WHEMYQOGPOIPAD-LLVKDONJSA-N 0 1 312.329 3.290 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@]3(CCOC3)C2)cc1Cl ZINC000825133936 628731103 /nfs/dbraw/zinc/73/11/03/628731103.db2.gz QUWFXBKOGPFVMY-HNNXBMFYSA-N 0 1 310.781 3.251 20 5 DGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825255948 628742995 /nfs/dbraw/zinc/74/29/95/628742995.db2.gz SKWKKOYEHOQVTR-SCRDCRAPSA-N 0 1 321.377 3.024 20 5 DGBDMN CO[C@H]1C[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000832204873 629450231 /nfs/dbraw/zinc/45/02/31/629450231.db2.gz UHYVIGOTMGSCDY-CABCVRRESA-N 0 1 308.353 3.123 20 5 DGBDMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000833498261 629612085 /nfs/dbraw/zinc/61/20/85/629612085.db2.gz KZKFUHALOULMNR-UHFFFAOYSA-N 0 1 317.345 3.032 20 5 DGBDMN 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ZINC000046599839 655833488 /nfs/dbraw/zinc/83/34/88/655833488.db2.gz VJWCMFKPQZGKIF-INIZCTEOSA-N 0 1 320.776 3.414 20 5 DGBDMN CCCN(Cn1nccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000057104967 659003659 /nfs/dbraw/zinc/00/36/59/659003659.db2.gz NCNJSEJUOXGPDC-MRXNPFEDSA-N 0 1 314.389 3.018 20 5 DGBDMN CON(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)c1csc(C)n1 ZINC000931541341 661486419 /nfs/dbraw/zinc/48/64/19/661486419.db2.gz AHJUMOPWESGKSR-VIFPVBQESA-N 0 1 323.374 3.190 20 5 DGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](C2CCOCC2)C1 ZINC000933078792 661616622 /nfs/dbraw/zinc/61/66/22/661616622.db2.gz RCFGJCFXQCRXEU-AWEZNQCLSA-N 0 1 322.380 3.373 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CCOC12CCCCC2 ZINC000933879274 661664837 /nfs/dbraw/zinc/66/48/37/661664837.db2.gz PMCGTHQASKXSJU-OAHLLOKOSA-N 0 1 308.353 3.315 20 5 DGBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](Cc2nccs2)C1 ZINC000934333571 661697954 /nfs/dbraw/zinc/69/79/54/661697954.db2.gz WZTWJHDFFBEPLS-LLVKDONJSA-N 0 1 321.377 3.255 20 5 DGBDMN O=[N+]([O-])c1cc(F)c(CN[C@H]2CCOC23CCCC3)c(F)c1 ZINC000934387498 661703631 /nfs/dbraw/zinc/70/36/31/661703631.db2.gz CDFVSTNQLSLKSR-AWEZNQCLSA-N 0 1 312.316 3.064 20 5 DGBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](c3ccncc3)C3CC3)nc2c1 ZINC000934700108 661727484 /nfs/dbraw/zinc/72/74/84/661727484.db2.gz ZQZPBULQHSTHHC-QGZVFWFLSA-N 0 1 323.356 3.107 20 5 DGBDMN Cc1c(OCCCCCCc2cn[nH]n2)cccc1[N+](=O)[O-] ZINC001577246332 1191889695 /nfs/dbraw/zinc/88/96/95/1191889695.db2.gz WIURCDANVAIDHB-UHFFFAOYSA-N 0 1 304.350 3.203 20 5 DGBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[C@H](CF)C3)c2)cc1 ZINC001333807116 1178677662 /nfs/dbraw/zinc/67/76/62/1178677662.db2.gz OCHBJISJGNEVRB-CYBMUJFWSA-N 0 1 318.352 3.097 20 5 DGBDMN O=[N+]([O-])c1ccc(Br)c(CNC2(C3CC3)CC2)c1 ZINC001335763997 1178951296 /nfs/dbraw/zinc/95/12/96/1178951296.db2.gz LXGJDPFDPCIUTE-UHFFFAOYSA-N 0 1 311.179 3.390 20 5 DGBDMN C[C@@H](NCc1cccnc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC001459860377 1182624249 /nfs/dbraw/zinc/62/42/49/1182624249.db2.gz NWRJQSIDXHRBPE-CYBMUJFWSA-N 0 1 323.356 3.026 20 5 DGBDMN COCc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC001461379560 1182803017 /nfs/dbraw/zinc/80/30/17/1182803017.db2.gz VIJBPPUSCCTJMC-UHFFFAOYSA-N 0 1 316.357 3.040 20 5 DGBDMN CCOC(OCC)[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001462685586 1182985733 /nfs/dbraw/zinc/98/57/33/1182985733.db2.gz IMOUPBKSJKKUOT-SNVBAGLBSA-N 0 1 316.785 3.125 20 5 DGBDMN O=[N+]([O-])c1cnc(NC[C@H]2CCN2C2CCCCC2)c(Cl)c1 ZINC001472834160 1183687951 /nfs/dbraw/zinc/68/79/51/1183687951.db2.gz AUDYVMCOUYEEJR-GFCCVEGCSA-N 0 1 324.812 3.462 20 5 DGBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2cccc(F)c2O1 ZINC001473393863 1183751022 /nfs/dbraw/zinc/75/10/22/1183751022.db2.gz JLNFEOZKPIMCAZ-JTQLQIEISA-N 0 1 318.304 3.227 20 5 DGBDMN CCCn1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001473940283 1183833693 /nfs/dbraw/zinc/83/36/93/1183833693.db2.gz WEANYPJFLSRVKW-GFCCVEGCSA-N 0 1 302.378 3.361 20 5 DGBDMN O=[N+]([O-])c1ccc(NCc2ccc(Nc3ccncc3)cc2)cn1 ZINC001612667422 1193459075 /nfs/dbraw/zinc/45/90/75/1193459075.db2.gz SFJBDCGBHSUCLH-UHFFFAOYSA-N 0 1 321.340 3.162 20 5 DGBDMN O=C(Nc1ccc(OCC2CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001527112573 1187410734 /nfs/dbraw/zinc/41/07/34/1187410734.db2.gz ATERFCRFQCMRHO-HZPDHXFCSA-N 0 1 318.373 3.249 20 5 DGBDMN CCC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC001533670562 1187840987 /nfs/dbraw/zinc/84/09/87/1187840987.db2.gz CHOUYJLMTOJHIV-UHFFFAOYSA-N 0 1 316.361 3.314 20 5 DGBDMN CC[C@H]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001533707872 1187844276 /nfs/dbraw/zinc/84/42/76/1187844276.db2.gz VWMDDJMKWZBIFV-WDEREUQCSA-N 0 1 316.361 3.027 20 5 DGBDMN CC1(C)[C@H](c2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001538265221 1188129378 /nfs/dbraw/zinc/12/93/78/1188129378.db2.gz GZUVXIDPYBHMJM-HZSPNIEDSA-N 0 1 322.792 3.100 20 5 DGBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cccc([N+](=O)[O-])c1Cl ZINC001544107080 1188377813 /nfs/dbraw/zinc/37/78/13/1188377813.db2.gz UBJRRKSXAUIQBR-UHFFFAOYSA-N 0 1 316.704 3.377 20 5 DGBDMN C[C@@H](Cc1cccs1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001566230113 1188446437 /nfs/dbraw/zinc/44/64/37/1188446437.db2.gz PEYSGNYPHSIXTD-JTQLQIEISA-N 0 1 320.370 3.065 20 5 DGBDMN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001556991291 1189034453 /nfs/dbraw/zinc/03/44/53/1189034453.db2.gz CXNZUKRVHIGFJX-UONOGXRCSA-N 0 1 306.362 3.245 20 5 DGBDMN CN(Cc1cnc[nH]1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001559234885 1189184732 /nfs/dbraw/zinc/18/47/32/1189184732.db2.gz SQZCKAWHLRBSLF-UHFFFAOYSA-N 0 1 301.133 3.261 20 5 DGBDMN O=[N+]([O-])c1cc(F)c(NC[C@H]2CCN2C2CCCC2)c(F)c1 ZINC001559251940 1189187145 /nfs/dbraw/zinc/18/71/45/1189187145.db2.gz NIDULXKVVMSHLI-LLVKDONJSA-N 0 1 311.332 3.302 20 5 DGBDMN CCON(Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001559913899 1189256472 /nfs/dbraw/zinc/25/64/72/1189256472.db2.gz VENCZRGTFCJCOI-UHFFFAOYSA-N 0 1 302.330 3.254 20 5 DGBDMN O=[N+]([O-])c1cccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC001560121383 1189281056 /nfs/dbraw/zinc/28/10/56/1189281056.db2.gz DFPIDLNVIQHNPG-KRWDZBQOSA-N 0 1 316.332 3.387 20 5 DGBDMN O=C(N[C@H](C1CCC1)C1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001570659227 1190912843 /nfs/dbraw/zinc/91/28/43/1190912843.db2.gz FFIMCXVIPRILFA-INIZCTEOSA-N 0 1 318.373 3.389 20 5 DGBDMN Cc1cc(C)cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001618512362 1193741582 /nfs/dbraw/zinc/74/15/82/1193741582.db2.gz ADRJDPLYVHFKHY-UHFFFAOYSA-N 0 1 324.340 3.018 20 5 DGBDMN CCc1cccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001621288877 1193827695 /nfs/dbraw/zinc/82/76/95/1193827695.db2.gz XFKFFNGPJADPLD-UHFFFAOYSA-N 0 1 310.357 3.323 20 5 DGBDMN Cc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc(F)c1F ZINC001637856000 1194690219 /nfs/dbraw/zinc/69/02/19/1194690219.db2.gz NSEYDJWKMWAUDH-UHFFFAOYSA-N 0 1 308.240 3.139 20 5 DGBDMN O=[N+]([O-])c1cnc(NCc2ccc3cncn3c2)c2ccccc21 ZINC001642775566 1194937876 /nfs/dbraw/zinc/93/78/76/1194937876.db2.gz SKGLUMMUSYTNFD-UHFFFAOYSA-N 0 1 319.324 3.403 20 5 DGBDMN Nc1cc(CCCCNc2c(F)cccc2[N+](=O)[O-])ccn1 ZINC001643237446 1195007300 /nfs/dbraw/zinc/00/73/00/1195007300.db2.gz JVNIGXCTMDKNMD-UHFFFAOYSA-N 0 1 304.325 3.146 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001644507473 1195114223 /nfs/dbraw/zinc/11/42/23/1195114223.db2.gz IKLFQOGSKORTQV-DGCLKSJQSA-N 0 1 314.389 3.382 20 5 DGBDMN CCC(O)(CC)CN(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001655248310 1195895163 /nfs/dbraw/zinc/89/51/63/1195895163.db2.gz YRAMUYDVFFEHPO-UHFFFAOYSA-N 0 1 324.421 3.365 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001655571908 1195933949 /nfs/dbraw/zinc/93/39/49/1195933949.db2.gz DKMIOBQZJGKWMC-QFBILLFUSA-N 0 1 324.380 3.377 20 5 DGBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@]12CCCOC2 ZINC001655921779 1195977990 /nfs/dbraw/zinc/97/79/90/1195977990.db2.gz IMAJLAQIXRJECR-KRWDZBQOSA-N 0 1 320.389 3.139 20 5 DGBDMN COc1ccc(CNCc2cnc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC001657136668 1196109696 /nfs/dbraw/zinc/10/96/96/1196109696.db2.gz CCURZTFFMOPGOK-UHFFFAOYSA-N 0 1 321.764 3.250 20 5 DGBDMN O=[N+]([O-])c1cccc(CNCc2cnccc2C(F)(F)F)c1 ZINC001657712146 1196171206 /nfs/dbraw/zinc/17/12/06/1196171206.db2.gz XQRKZSYZXOCGGX-UHFFFAOYSA-N 0 1 311.263 3.298 20 5 DGBDMN Cc1ccc2ncc(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)n2c1 ZINC001657983954 1196198988 /nfs/dbraw/zinc/19/89/88/1196198988.db2.gz ATJKYRVKDAGRKD-CYBMUJFWSA-N 0 1 310.357 3.402 20 5 DGBDMN C[C@]12C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001660402117 1196480237 /nfs/dbraw/zinc/48/02/37/1196480237.db2.gz FTVUUUQDQHRBID-MAQMMGONSA-N 0 1 302.374 3.168 20 5 DGBDMN COc1cc(-c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1OC ZINC000169965448 1203832163 /nfs/dbraw/zinc/83/21/63/1203832163.db2.gz FFPHQMUOFMPDIG-UHFFFAOYSA-N 0 1 313.313 3.464 20 5 DGBDMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001595628710 981789865 /nfs/dbraw/zinc/78/98/65/981789865.db2.gz JSPAMCMSCCEFSG-ZDUSSCGKSA-N 0 1 314.769 3.323 20 5 DGBDMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC001598472244 992045793 /nfs/dbraw/zinc/04/57/93/992045793.db2.gz NYCLKSRVFYZKLG-UHFFFAOYSA-N 0 1 314.769 3.181 20 5 DGBDMN Cc1cc(F)cc(C(=O)Nc2cccc(F)c2O)c1[N+](=O)[O-] ZINC001648850789 1081943143 /nfs/dbraw/zinc/94/31/43/1081943143.db2.gz MMQKPSPYHGCDBA-UHFFFAOYSA-N 0 1 308.240 3.139 20 5 DGBDMN CC1(C)NC(=O)c2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC001210399376 1081957952 /nfs/dbraw/zinc/95/79/52/1081957952.db2.gz RUSYYEOFTVFDKN-UHFFFAOYSA-N 0 1 313.313 3.023 20 5 DGBDMN Cc1cc([N+](=O)[O-])c(N2CCN(C)CC23CCCC3)nc1Cl ZINC001158408725 1082689676 /nfs/dbraw/zinc/68/96/76/1082689676.db2.gz NZPTXIVRQDNBQJ-UHFFFAOYSA-N 0 1 324.812 3.016 20 5 DGBDMN Cc1ccc([C@H](C)OC(=O)C23CCCN2CCC3)cc1[N+](=O)[O-] ZINC001126788620 1087283482 /nfs/dbraw/zinc/28/34/82/1087283482.db2.gz JXWLVFNOYUDBCW-ZDUSSCGKSA-N 0 1 318.373 3.136 20 5 DGBDMN C[C@@H]1CCN1C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001157922515 1090151879 /nfs/dbraw/zinc/15/18/79/1090151879.db2.gz PZAODLYEMFUEIV-VLIAUNLRSA-N 0 1 318.420 3.484 20 5 DGBDMN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3F)[nH]c2c1 ZINC001298567564 1092073275 /nfs/dbraw/zinc/07/32/75/1092073275.db2.gz XLPNOSWUVCWAOX-UHFFFAOYSA-N 0 1 314.276 3.171 20 5 DGBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3c4ccccc4oc3C2)C1 ZINC001169038658 1092502070 /nfs/dbraw/zinc/50/20/70/1092502070.db2.gz JYSYMHWJRDXGBX-OLZOCXBDSA-N 0 1 300.358 3.236 20 5 DGBDMN COCCOc1cccc(F)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210398766 1093155326 /nfs/dbraw/zinc/15/53/26/1093155326.db2.gz KZLMZXUUEHXECJ-UHFFFAOYSA-N 0 1 322.292 3.208 20 5 DGBDMN O=[N+]([O-])c1cc(F)cc(Nc2nnc(Br)s2)c1 ZINC001216480598 1094205824 /nfs/dbraw/zinc/20/58/24/1094205824.db2.gz GXRMNGWSPYMBSC-UHFFFAOYSA-N 0 1 319.115 3.092 20 5 DGBDMN O=c1ccn(-c2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)cc2)[nH]1 ZINC001216486715 1094207481 /nfs/dbraw/zinc/20/74/81/1094207481.db2.gz FKGITEHBGBILIW-UHFFFAOYSA-N 0 1 314.276 3.369 20 5 DGBDMN CC(C)(F)c1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])no1 ZINC001135372948 1094505888 /nfs/dbraw/zinc/50/58/88/1094505888.db2.gz FZNDNQHPBDJCGZ-UHFFFAOYSA-N 0 1 311.244 3.179 20 5 DGBDMN O=[N+]([O-])c1ccc(CNCC2SCCS2)c(Cl)c1 ZINC000692819884 1094970964 /nfs/dbraw/zinc/97/09/64/1094970964.db2.gz ZRNUAUMSXFLNQO-UHFFFAOYSA-N 0 1 304.824 3.144 20 5 DGBDMN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC001338537275 1095329697 /nfs/dbraw/zinc/32/96/97/1095329697.db2.gz XWLPUIXMQFNPEA-BMIGLBTASA-N 0 1 321.764 3.027 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2cncn2c1C ZINC001116538547 1095593004 /nfs/dbraw/zinc/59/30/04/1095593004.db2.gz RISQUYFHCGXEJZ-UHFFFAOYSA-N 0 1 324.340 3.420 20 5 DGBDMN C[C@@H](OC1CCCCC1)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC001117802549 1095868392 /nfs/dbraw/zinc/86/83/92/1095868392.db2.gz BDQLDEDNOPHZGJ-LLVKDONJSA-N 0 1 323.345 3.081 20 5 DGBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[C@H](CF)C2)c1 ZINC001119329331 1096169290 /nfs/dbraw/zinc/16/92/90/1096169290.db2.gz 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Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](C)C(C)(C)C ZINC000164541973 400750254 /nfs/dbraw/zinc/75/02/54/400750254.db2.gz IODAONKHYMXUPS-GFCCVEGCSA-N 0 1 307.394 3.208 20 5 DGBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC4(CC4(F)F)CC3)nc2c1 ZINC000593071835 400752438 /nfs/dbraw/zinc/75/24/38/400752438.db2.gz COAXMJGLVPNESF-UHFFFAOYSA-N 0 1 322.315 3.092 20 5 DGBDMN Cc1cc([C@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)on1 ZINC000052010384 400712969 /nfs/dbraw/zinc/71/29/69/400712969.db2.gz FGNKQIHXBJJHRN-OAHLLOKOSA-N 0 1 317.345 3.107 20 5 DGBDMN Cc1cc([C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])on1 ZINC000052011390 400714092 /nfs/dbraw/zinc/71/40/92/400714092.db2.gz QKODXHMBHLZFJT-CYBMUJFWSA-N 0 1 317.345 3.107 20 5 DGBDMN COc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000172109168 400814057 /nfs/dbraw/zinc/81/40/57/400814057.db2.gz DFIMKWFUYKFOGJ-UHFFFAOYSA-N 0 1 322.704 3.215 20 5 DGBDMN CCCCC[C@@H]1CCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000598462329 400816760 /nfs/dbraw/zinc/81/67/60/400816760.db2.gz 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ZINC000075997302 431510419 /nfs/dbraw/zinc/51/04/19/431510419.db2.gz LAMDDRQMOQNVGK-UHFFFAOYSA-N 0 1 318.295 3.248 20 5 DGBDMN CC[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000117345690 431558477 /nfs/dbraw/zinc/55/84/77/431558477.db2.gz HFSWLRTYAXPSSB-AWEZNQCLSA-N 0 1 319.405 3.070 20 5 DGBDMN CC(C)[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000117349030 431560261 /nfs/dbraw/zinc/56/02/61/431560261.db2.gz UELNFBCGCXOJSY-CQSZACIVSA-N 0 1 305.378 3.044 20 5 DGBDMN Cc1c(NC(=O)[C@H](C)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000025407340 431653521 /nfs/dbraw/zinc/65/35/21/431653521.db2.gz HSWBCIBYPNKGTH-ZDUSSCGKSA-N 0 1 305.378 3.106 20 5 DGBDMN C[C@@H]1CCC[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000033101563 431808201 /nfs/dbraw/zinc/80/82/01/431808201.db2.gz FKEXGFSMGAKOHA-GHMZBOCLSA-N 0 1 316.361 3.122 20 5 DGBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(O)c(Cl)c1 ZINC000047492342 431910651 /nfs/dbraw/zinc/91/06/51/431910651.db2.gz UQZUMOJEGSCQRE-UHFFFAOYSA-N 0 1 320.732 3.226 20 5 DGBDMN Cc1noc([C@@H]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054676549 431972256 /nfs/dbraw/zinc/97/22/56/431972256.db2.gz PMZGICJBJMZXNR-SMDDNHRTSA-N 0 1 316.361 3.227 20 5 DGBDMN CC(C)CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000052535604 431956654 /nfs/dbraw/zinc/95/66/54/431956654.db2.gz GGWQGJWXQYICSF-UHFFFAOYSA-N 0 1 316.361 3.265 20 5 DGBDMN Cc1ccccc1[C@H](NCc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000341680477 281386127 /nfs/dbraw/zinc/38/61/27/281386127.db2.gz DDGKMQICXTUKMD-OAHLLOKOSA-N 0 1 302.378 3.124 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000173555739 432287077 /nfs/dbraw/zinc/28/70/77/432287077.db2.gz HDULZPMMDJAXCT-BBRMVZONSA-N 0 1 317.389 3.106 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000174191612 432327722 /nfs/dbraw/zinc/32/77/22/432327722.db2.gz BBQTZGSWBMRLHD-AWEZNQCLSA-N 0 1 319.405 3.210 20 5 DGBDMN CC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000184365307 432382933 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CC(C)(C)[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000483245085 435503928 /nfs/dbraw/zinc/50/39/28/435503928.db2.gz GZHGMRDJXSYFOF-ZDUSSCGKSA-N 0 1 319.405 3.291 20 5 DGBDMN CCn1cc([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000519179999 435672724 /nfs/dbraw/zinc/67/27/24/435672724.db2.gz FVRNVLHIORIQEX-IAQYHMDHSA-N 0 1 300.362 3.149 20 5 DGBDMN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cncc(F)c1 ZINC000571179106 435683711 /nfs/dbraw/zinc/68/37/11/435683711.db2.gz VSCDTFKNXHWFOE-BONVTDFDSA-N 0 1 301.321 3.467 20 5 DGBDMN CC(C)N(Cc1ccccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549767703 435779164 /nfs/dbraw/zinc/77/91/64/435779164.db2.gz GDGNTFKKEVCVON-UHFFFAOYSA-N 0 1 301.346 3.106 20 5 DGBDMN CCO[C@H]1C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000572804902 435867539 /nfs/dbraw/zinc/86/75/39/435867539.db2.gz LOWOBHKDQHNQDF-ZBFHGGJFSA-N 0 1 302.330 3.122 20 5 DGBDMN CCC[C@@H]1CCCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000544529526 314196806 /nfs/dbraw/zinc/19/68/06/314196806.db2.gz HYAMTLCBJJUMIZ-CQSZACIVSA-N 0 1 319.405 3.496 20 5 DGBDMN CCOc1cccc(NC[C@@H](c2ccco2)N(C)C)c1[N+](=O)[O-] ZINC000183135090 323327175 /nfs/dbraw/zinc/32/71/75/323327175.db2.gz LPVKELPODWKOLO-ZDUSSCGKSA-N 0 1 319.361 3.301 20 5 DGBDMN CC(C)(NCc1ccc2[nH]cnc2c1)c1ccccc1[N+](=O)[O-] ZINC000581584104 324133092 /nfs/dbraw/zinc/13/30/92/324133092.db2.gz TUCFAARUAPSFNP-UHFFFAOYSA-N 0 1 310.357 3.496 20 5 DGBDMN Cc1cc(NCc2nnc(C3CC3)[nH]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000295033739 534001324 /nfs/dbraw/zinc/00/13/24/534001324.db2.gz VWXZIGIITWPGEU-UHFFFAOYSA-N 0 1 324.344 3.059 20 5 DGBDMN Cc1ccc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000443207106 534232607 /nfs/dbraw/zinc/23/26/07/534232607.db2.gz YOILXIHGQPQMJH-RYUDHWBXSA-N 0 1 316.361 3.326 20 5 DGBDMN CC(C)C[C@@H](N)c1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000339395427 519230879 /nfs/dbraw/zinc/23/08/79/519230879.db2.gz QCRMRFYUFGBACI-QDZRJHCZSA-N 0 1 302.334 3.194 20 5 DGBDMN CC(C)C[C@H](N)c1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000339395426 519373929 /nfs/dbraw/zinc/37/39/29/519373929.db2.gz QCRMRFYUFGBACI-KRZKBDHCSA-N 0 1 302.334 3.194 20 5 DGBDMN CC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000298868100 526894036 /nfs/dbraw/zinc/89/40/36/526894036.db2.gz TVQBTKFGZPASAA-UHFFFAOYSA-N 0 1 312.376 3.058 20 5 DGBDMN CCCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)CC ZINC000433768925 528314871 /nfs/dbraw/zinc/31/48/71/528314871.db2.gz NVQMXNMFQZGOTI-LLVKDONJSA-N 0 1 310.398 3.482 20 5 DGBDMN CCC(=O)c1ccc(NCc2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000295013418 528459428 /nfs/dbraw/zinc/45/94/28/528459428.db2.gz SWGDUMZWNMWIBZ-UHFFFAOYSA-N 0 1 317.349 3.041 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2CC(C)(C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000468712146 535320838 /nfs/dbraw/zinc/32/08/38/535320838.db2.gz XJPVVLCLNJZKFM-UHFFFAOYSA-N 0 1 322.409 3.340 20 5 DGBDMN CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000451551551 536749765 /nfs/dbraw/zinc/74/97/65/536749765.db2.gz WKTIDLSDQACJBT-BBRMVZONSA-N 0 1 322.405 3.239 20 5 DGBDMN O=C(OCCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000733859535 574640897 /nfs/dbraw/zinc/64/08/97/574640897.db2.gz LWHIBXZQIUKFMF-UHFFFAOYSA-N 0 1 310.309 3.476 20 5 DGBDMN Cc1c(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000738289426 574864429 /nfs/dbraw/zinc/86/44/29/574864429.db2.gz QIMYQIOOVSXNIZ-MRXNPFEDSA-N 0 1 314.341 3.161 20 5 DGBDMN CC[C@]1(C)CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000743390126 575048897 /nfs/dbraw/zinc/04/88/97/575048897.db2.gz ZUQPDXZSHUFWGI-MRXNPFEDSA-N 0 1 302.378 3.414 20 5 DGBDMN CC1(C)CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000743390496 575049073 /nfs/dbraw/zinc/04/90/73/575049073.db2.gz LQIUDIFKCQTOQM-UHFFFAOYSA-N 0 1 300.362 3.148 20 5 DGBDMN Cc1cc(F)ccc1[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000746654245 575467162 /nfs/dbraw/zinc/46/71/62/575467162.db2.gz IAXKMRPDOIBKLF-QGZVFWFLSA-N 0 1 318.348 3.208 20 5 DGBDMN CO[C@@H](C)CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746676071 575469698 /nfs/dbraw/zinc/46/96/98/575469698.db2.gz ZLQSCDIFLQTCKO-NSHDSACASA-N 0 1 300.786 3.494 20 5 DGBDMN C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)N1[C@H](C)CC[C@H]1C ZINC000746985949 575488195 /nfs/dbraw/zinc/48/81/95/575488195.db2.gz TZXOQAVMAIJJRM-IJLUTSLNSA-N 0 1 324.352 3.038 20 5 DGBDMN CCCCO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1(C)C ZINC000749064805 575624747 /nfs/dbraw/zinc/62/47/47/575624747.db2.gz HDCMYIZRXPEEKT-NWDGAFQWSA-N 0 1 310.350 3.064 20 5 DGBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCN1CCC1 ZINC000751948426 575813829 /nfs/dbraw/zinc/81/38/29/575813829.db2.gz XQPGVMACQLXTGH-UHFFFAOYSA-N 0 1 323.702 3.385 20 5 DGBDMN C[C@H]1CCCCCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853499763 620702605 /nfs/dbraw/zinc/70/26/05/620702605.db2.gz UGAKBWONWLSXNL-ZDUSSCGKSA-N 0 1 315.377 3.075 20 5 DGBDMN O=C(OCc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918502570 620709150 /nfs/dbraw/zinc/70/91/50/620709150.db2.gz JAZFXVWCXPMPNH-UHFFFAOYSA-N 0 1 314.219 3.299 20 5 DGBDMN CCC(CC)[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000111404192 620710441 /nfs/dbraw/zinc/71/04/41/620710441.db2.gz LZFWOCMDQMRVNF-AWEZNQCLSA-N 0 1 300.786 3.135 20 5 DGBDMN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCN1C(C)(C)C ZINC000853748654 620732353 /nfs/dbraw/zinc/73/23/53/620732353.db2.gz PVIFGGSBFINPNY-CYBMUJFWSA-N 0 1 305.378 3.082 20 5 DGBDMN CC1(C)[C@H](O)C[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811491886 617607857 /nfs/dbraw/zinc/60/78/57/617607857.db2.gz RJBWYJSXYOMGSE-WDEREUQCSA-N 0 1 319.188 3.151 20 5 DGBDMN Cc1cc(CNCc2ccccc2[N+](=O)[O-])c2c(n1)CCCC2 ZINC000892608223 618117795 /nfs/dbraw/zinc/11/77/95/618117795.db2.gz OAGDDYZUZUPAQO-UHFFFAOYSA-N 0 1 311.385 3.467 20 5 DGBDMN CCCCOc1ccccc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920143043 620787568 /nfs/dbraw/zinc/78/75/68/620787568.db2.gz IWKHBVIMMGNLHP-UHFFFAOYSA-N 0 1 318.329 3.459 20 5 DGBDMN C[C@H](NCc1cnn(C)c1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000894657745 618414517 /nfs/dbraw/zinc/41/45/17/618414517.db2.gz OHVSRWOBNZSFQA-NSHDSACASA-N 0 1 300.362 3.057 20 5 DGBDMN CC1=NO[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000895309610 618593081 /nfs/dbraw/zinc/59/30/81/618593081.db2.gz CWQQGOOBKRFYOZ-HNNXBMFYSA-N 0 1 315.329 3.109 20 5 DGBDMN COc1c(O)ccc(CNCc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000895361307 618602523 /nfs/dbraw/zinc/60/25/23/618602523.db2.gz XIQANBIFTHLJTK-UHFFFAOYSA-N 0 1 316.357 3.216 20 5 DGBDMN COc1c(O)ccc(CNC(C)(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000893874049 618669598 /nfs/dbraw/zinc/66/95/98/618669598.db2.gz GUXKPVPLFNVODC-UHFFFAOYSA-N 0 1 322.283 3.130 20 5 DGBDMN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000840673146 618763914 /nfs/dbraw/zinc/76/39/14/618763914.db2.gz IHERHMZCIQJUHV-GGZOMVNGSA-N 0 1 317.263 3.017 20 5 DGBDMN CCO[C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000896405619 618908689 /nfs/dbraw/zinc/90/86/89/618908689.db2.gz GWQQTSUYOSULBL-ZDUSSCGKSA-N 0 1 301.346 3.067 20 5 DGBDMN CO[C@@H]1CC[C@H]1N(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000897147385 619022740 /nfs/dbraw/zinc/02/27/40/619022740.db2.gz LMWDGJJVALOCAC-GDBMZVCRSA-N 0 1 301.346 3.065 20 5 DGBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000925312788 619158454 /nfs/dbraw/zinc/15/84/54/619158454.db2.gz JVVFIPYGPRXLFA-GFCCVEGCSA-N 0 1 300.362 3.367 20 5 DGBDMN CNc1ccc(C)cc1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000902125384 619593309 /nfs/dbraw/zinc/59/33/09/619593309.db2.gz RJMKKALMIYLTJH-UHFFFAOYSA-N 0 1 315.373 3.243 20 5 DGBDMN COc1cc([C@@H](C)NCc2cnc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000903185256 619732381 /nfs/dbraw/zinc/73/23/81/619732381.db2.gz CGSHZSYLPAXSCV-CYBMUJFWSA-N 0 1 315.373 3.466 20 5 DGBDMN CCCn1cc([C@@H](C)NC[C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000903245867 619744103 /nfs/dbraw/zinc/74/41/03/619744103.db2.gz PLQOCPWCLAMMKJ-CHWSQXEVSA-N 0 1 317.393 3.051 20 5 DGBDMN O=C([O-])C1(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000903700323 619800874 /nfs/dbraw/zinc/80/08/74/619800874.db2.gz BJPIHKODVFVSLH-UHFFFAOYSA-N 0 1 318.373 3.204 20 5 DGBDMN C[C@@H](c1ccccc1)[C@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000905738621 620024377 /nfs/dbraw/zinc/02/43/77/620024377.db2.gz DYVANZVYJCKSAA-XJKSGUPXSA-N 0 1 300.362 3.017 20 5 DGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CN(C)C(C)(C)C)nn1 ZINC000905799866 620030542 /nfs/dbraw/zinc/03/05/42/620030542.db2.gz SNKUHRUXOMOUDX-LBPRGKRZSA-N 0 1 317.393 3.026 20 5 DGBDMN CCCCN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000915203406 620572863 /nfs/dbraw/zinc/57/28/63/620572863.db2.gz QFLBXMHTGJRMBM-UHFFFAOYSA-N 0 1 315.377 3.075 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@]23C[C@H]2COC32CCC2)c1 ZINC000923033447 621149850 /nfs/dbraw/zinc/14/98/50/621149850.db2.gz URUBJQNSMHTQKP-XHDPSFHLSA-N 0 1 308.765 3.049 20 5 DGBDMN CC(C)CC[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000858241739 621167801 /nfs/dbraw/zinc/16/78/01/621167801.db2.gz ZOEREUIYENDHJU-GFCCVEGCSA-N 0 1 300.786 3.135 20 5 DGBDMN CC(C)(C)O[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1(C)C ZINC000839101409 621329267 /nfs/dbraw/zinc/32/92/67/621329267.db2.gz XHYBCZFFTTXIGM-WDEREUQCSA-N 0 1 310.350 3.062 20 5 DGBDMN Cc1noc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000859925936 621346210 /nfs/dbraw/zinc/34/62/10/621346210.db2.gz APJPWXOVJAYBNA-SOUVJXGZSA-N 0 1 313.357 3.127 20 5 DGBDMN O=C(Nc1ccc(NC2CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839615519 621700820 /nfs/dbraw/zinc/70/08/20/621700820.db2.gz VTXSKJWTXBIGFP-HUUCEWRRSA-N 0 1 303.362 3.035 20 5 DGBDMN C[C@@H](OC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1[N+](=O)[O-] ZINC000757879827 621744945 /nfs/dbraw/zinc/74/49/45/621744945.db2.gz DUESASLBWCGXET-PWSUYJOCSA-N 0 1 315.329 3.042 20 5 DGBDMN Cc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000120076434 621770031 /nfs/dbraw/zinc/77/00/31/621770031.db2.gz JYWQOIZKJHRPMQ-UHFFFAOYSA-N 0 1 312.372 3.074 20 5 DGBDMN CC(C)c1nc(CNc2ccc([N+](=O)[O-])cc2C(F)F)n[nH]1 ZINC000865843346 622006313 /nfs/dbraw/zinc/00/63/13/622006313.db2.gz RFPYNWMFDOIBNM-UHFFFAOYSA-N 0 1 311.292 3.386 20 5 DGBDMN O=C(c1c(O)cccc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000769657654 622547156 /nfs/dbraw/zinc/54/71/56/622547156.db2.gz PMYZJEOEDWYMDD-UHFFFAOYSA-N 0 1 318.716 3.157 20 5 DGBDMN C[C@@H](NC[C@H](O)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031317 622763228 /nfs/dbraw/zinc/76/32/28/622763228.db2.gz IWPBXCKEWFUFNJ-ABAIWWIYSA-N 0 1 310.369 3.326 20 5 DGBDMN Cc1noc(C)c1CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034425 622764977 /nfs/dbraw/zinc/76/49/77/622764977.db2.gz NYFGOOPCIFFGOA-SNVBAGLBSA-N 0 1 307.325 3.232 20 5 DGBDMN C[C@H](NC[C@@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041728 622769307 /nfs/dbraw/zinc/76/93/07/622769307.db2.gz KNELQHVPINEWBO-JSGCOSHPSA-N 0 1 318.348 3.161 20 5 DGBDMN C[C@H](NC[C@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041727 622769383 /nfs/dbraw/zinc/76/93/83/622769383.db2.gz KNELQHVPINEWBO-GXTWGEPZSA-N 0 1 318.348 3.161 20 5 DGBDMN C[C@@H](NC[C@@H](CO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041729 622769953 /nfs/dbraw/zinc/76/99/53/622769953.db2.gz KNELQHVPINEWBO-OCCSQVGLSA-N 0 1 318.348 3.161 20 5 DGBDMN C[C@@H](NCC1(CO)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050035 622775687 /nfs/dbraw/zinc/77/56/87/622775687.db2.gz WBHHYNNBJMVXNG-GFCCVEGCSA-N 0 1 310.369 3.327 20 5 DGBDMN CC(C)[C@@H](O)C(C)(C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051145 622776324 /nfs/dbraw/zinc/77/63/24/622776324.db2.gz HKWCJIVYUKHNJR-XHDPSFHLSA-N 0 1 312.385 3.428 20 5 DGBDMN Cc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000872160525 622841833 /nfs/dbraw/zinc/84/18/33/622841833.db2.gz HTBGRHMFHDHZTJ-CQSZACIVSA-N 0 1 306.362 3.123 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC000873156601 623055591 /nfs/dbraw/zinc/05/55/91/623055591.db2.gz LMNMAVDSCAZIMK-DGFSRKRXSA-N 0 1 310.781 3.295 20 5 DGBDMN Cc1ccc([C@@H](C)NCc2cc(N)cc(F)c2)cc1[N+](=O)[O-] ZINC000873288216 623104367 /nfs/dbraw/zinc/10/43/67/623104367.db2.gz YBYJUBFBJOANJO-LLVKDONJSA-N 0 1 303.337 3.475 20 5 DGBDMN C[C@@H](NCc1cccc2nsnc21)c1ccccc1[N+](=O)[O-] ZINC000775574940 623291948 /nfs/dbraw/zinc/29/19/48/623291948.db2.gz AYDCNZYIOXTNTG-SNVBAGLBSA-N 0 1 314.370 3.450 20 5 DGBDMN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000776311452 623410293 /nfs/dbraw/zinc/41/02/93/623410293.db2.gz ZBQBNUJFXYWEHO-BONVTDFDSA-N 0 1 322.311 3.257 20 5 DGBDMN C[C@@H]1c2sccc2CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000882185063 625660376 /nfs/dbraw/zinc/66/03/76/625660376.db2.gz YFSAPKHMHHARNI-SECBINFHSA-N 0 1 318.354 3.121 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1[nH]nc2c1CCC2 ZINC000778781188 623694318 /nfs/dbraw/zinc/69/43/18/623694318.db2.gz QDSLHCUXXOJWRW-SNVBAGLBSA-N 0 1 315.329 3.033 20 5 DGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CSC[C@H]3C2)cc1Cl ZINC000877738586 624012328 /nfs/dbraw/zinc/01/23/28/624012328.db2.gz OPJYVIDEUQSEFE-NWDGAFQWSA-N 0 1 312.822 3.433 20 5 DGBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCn3nccc32)cc1Cl ZINC000877778584 624033613 /nfs/dbraw/zinc/03/36/13/624033613.db2.gz 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/nfs/dbraw/zinc/73/23/59/1183732359.db2.gz BWVLNCPVIZPGGV-INIZCTEOSA-N 0 1 312.369 3.420 20 5 DGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C)C(C)(C)C1 ZINC001473365345 1183749031 /nfs/dbraw/zinc/74/90/31/1183749031.db2.gz NDXVIMZBEAXSKC-QWHCGFSZSA-N 0 1 319.405 3.290 20 5 DGBDMN O=[N+]([O-])c1ccc(OCCNCc2cscc2Cl)cc1 ZINC001473981863 1183842783 /nfs/dbraw/zinc/84/27/83/1183842783.db2.gz QZJIRCMSARGUNM-UHFFFAOYSA-N 0 1 312.778 3.478 20 5 DGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC=CC23CCCCC3)c1 ZINC001608914321 1193312961 /nfs/dbraw/zinc/31/29/61/1193312961.db2.gz LDEIBQUBUKIJJX-UHFFFAOYSA-N 0 1 316.357 3.368 20 5 DGBDMN Cc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001610500447 1193393722 /nfs/dbraw/zinc/39/37/22/1193393722.db2.gz KVAYWYSZWUPBTO-UHFFFAOYSA-N 0 1 314.341 3.233 20 5 DGBDMN Cc1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001610500447 1193393725 /nfs/dbraw/zinc/39/37/25/1193393725.db2.gz KVAYWYSZWUPBTO-UHFFFAOYSA-N 0 1 314.341 3.233 20 5 DGBDMN Cc1ccc(-n2cc(Nc3ncc([N+](=O)[O-])c(C)n3)cn2)c(C)c1 ZINC001612265897 1193449412 /nfs/dbraw/zinc/44/94/12/1193449412.db2.gz VAFGGRBGCULGAI-UHFFFAOYSA-N 0 1 324.344 3.239 20 5 DGBDMN Cc1nocc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001527078211 1187409394 /nfs/dbraw/zinc/40/93/94/1187409394.db2.gz WLOHFZGCQRCDAT-UHFFFAOYSA-N 0 1 324.296 3.206 20 5 DGBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C12CCCN1CCC2 ZINC001538538689 1188147862 /nfs/dbraw/zinc/14/78/62/1188147862.db2.gz FUMFBJPKXWTBME-UHFFFAOYSA-N 0 1 323.780 3.124 20 5 DGBDMN C[C@@H](NC(=O)c1ccc(Cl)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC001558302215 1189116027 /nfs/dbraw/zinc/11/60/27/1189116027.db2.gz SHMWWAPDWNCRMY-SECBINFHSA-N 0 1 320.732 3.445 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3cncn3c2)c1C ZINC001558590521 1189136336 /nfs/dbraw/zinc/13/63/36/1189136336.db2.gz PFVDRAAIZUTTAK-UHFFFAOYSA-N 0 1 310.313 3.112 20 5 DGBDMN C[N@H+](Cc1ccc2cc[nH]c2c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001560092745 1189277412 /nfs/dbraw/zinc/27/74/12/1189277412.db2.gz OTXWZEQKFGXNNM-UHFFFAOYSA-N 0 1 311.341 3.414 20 5 DGBDMN C[N@@H+](Cc1ccc2cc[nH]c2c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001560092745 1189277413 /nfs/dbraw/zinc/27/74/13/1189277413.db2.gz OTXWZEQKFGXNNM-UHFFFAOYSA-N 0 1 311.341 3.414 20 5 DGBDMN CN(Cc1ccc2cc[nH]c2c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001560092745 1189277416 /nfs/dbraw/zinc/27/74/16/1189277416.db2.gz OTXWZEQKFGXNNM-UHFFFAOYSA-N 0 1 311.341 3.414 20 5 DGBDMN Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001560223599 1189293289 /nfs/dbraw/zinc/29/32/89/1189293289.db2.gz CCMAEOXQGFYMQJ-RDJZCZTQSA-N 0 1 304.390 3.437 20 5 DGBDMN Cc1ccccc1-n1cc(CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001560283114 1189305476 /nfs/dbraw/zinc/30/54/76/1189305476.db2.gz YKUOEIGIWLKYQN-UHFFFAOYSA-N 0 1 322.368 3.379 20 5 DGBDMN CCCn1cncc1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001560423257 1189326351 /nfs/dbraw/zinc/32/63/51/1189326351.db2.gz BDMFCZUWTMLWCD-INIZCTEOSA-N 0 1 302.378 3.442 20 5 DGBDMN O=C([O-])[C@@H]1C[C@@H]2CCC[C@@H]2[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001574928104 1191459046 /nfs/dbraw/zinc/45/90/46/1191459046.db2.gz DCBQNDGFNQUNFZ-HERUPUMHSA-N 0 1 324.764 3.076 20 5 DGBDMN Cc1cc2[nH]ncc2cc1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001639777763 1194781249 /nfs/dbraw/zinc/78/12/49/1194781249.db2.gz RKZVUXANMWVYDH-UHFFFAOYSA-N 0 1 319.324 3.493 20 5 DGBDMN CCOc1cc(NCc2cnc(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC001640458513 1194814974 /nfs/dbraw/zinc/81/49/74/1194814974.db2.gz CXQMQKXLCMILRD-UHFFFAOYSA-N 0 1 304.350 3.452 20 5 DGBDMN CN(C[C@H]1CCCN1C)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642829661 1194944472 /nfs/dbraw/zinc/94/44/72/1194944472.db2.gz FMXRTZXLIAHPAO-SECBINFHSA-N 0 1 318.204 3.432 20 5 DGBDMN COc1ccc2c(c1)CN(CC[N+](=O)[O-])[C@@H](C1CCCCC1)C2 ZINC001644785079 1195134546 /nfs/dbraw/zinc/13/45/46/1195134546.db2.gz HWLBPBRKFSLFEY-GOSISDBHSA-N 0 1 318.417 3.279 20 5 DGBDMN CCCC1(CCC)CCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC001644870072 1195139962 /nfs/dbraw/zinc/13/99/62/1195139962.db2.gz GEVDHFJKLOBQFN-UHFFFAOYSA-N 0 1 322.409 3.455 20 5 DGBDMN CC(C)CCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001648531076 1195307882 /nfs/dbraw/zinc/30/78/82/1195307882.db2.gz NQFJXJLFBULOQQ-UHFFFAOYSA-N 0 1 317.349 3.145 20 5 DGBDMN C[C@@H](NC(=O)c1ccc(Cl)c(O)c1)c1ccccc1[N+](=O)[O-] ZINC001651356469 1195448640 /nfs/dbraw/zinc/44/86/40/1195448640.db2.gz SRRMAZPZRZJKGF-SECBINFHSA-N 0 1 320.732 3.445 20 5 DGBDMN C[C@H](NCc1cn2ccnc2s1)c1ccccc1[N+](=O)[O-] ZINC001651512809 1195474084 /nfs/dbraw/zinc/47/40/84/1195474084.db2.gz GASVRWLNCJTSDO-JTQLQIEISA-N 0 1 302.359 3.155 20 5 DGBDMN CCC1(CC)[C@H]([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001652753077 1195648088 /nfs/dbraw/zinc/64/80/88/1195648088.db2.gz HKFZLVGAGSZTPQ-CVEARBPZSA-N 0 1 322.405 3.326 20 5 DGBDMN CC[C@@H](NCc1cn(CC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC001655934287 1195979351 /nfs/dbraw/zinc/97/93/51/1195979351.db2.gz KKZDKSDZLHTRMV-MRXNPFEDSA-N 0 1 302.378 3.361 20 5 DGBDMN Cc1c(CNCc2ccc3c(=O)cc[nH]c3c2)cccc1[N+](=O)[O-] ZINC001658515023 1196268088 /nfs/dbraw/zinc/26/80/88/1196268088.db2.gz PDWKTROLIBOVIM-UHFFFAOYSA-N 0 1 323.352 3.035 20 5 DGBDMN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](O)c1ccc(F)cc1 ZINC001659032538 1196334405 /nfs/dbraw/zinc/33/44/05/1196334405.db2.gz LEUOVYWEFGQRNM-HNNXBMFYSA-N 0 1 324.739 3.211 20 5 DGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC001659889651 1196425991 /nfs/dbraw/zinc/42/59/91/1196425991.db2.gz QYGLQUDTZBWLFH-IMJJTQAJSA-N 0 1 324.808 3.374 20 5 DGBDMN CCOc1cc(CN2CCCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC001660542124 1196495553 /nfs/dbraw/zinc/49/55/53/1196495553.db2.gz GWQZVJZVJSJAMW-GFCCVEGCSA-N 0 1 310.419 3.321 20 5 DGBDMN Cc1c(CNCc2cnc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC001662209145 1196695136 /nfs/dbraw/zinc/69/51/36/1196695136.db2.gz ZHKZFAIWYBWPLX-UHFFFAOYSA-N 0 1 309.728 3.381 20 5 DGBDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001602867376 971729810 /nfs/dbraw/zinc/72/98/10/971729810.db2.gz MGHURDASSUUXCW-UHFFFAOYSA-N 0 1 314.769 3.181 20 5 DGBDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001603747589 974191457 /nfs/dbraw/zinc/19/14/57/974191457.db2.gz WJHKBJLNWAZLOQ-ZETCQYMHSA-N 0 1 321.160 3.197 20 5 DGBDMN CN1CCN(c2cccc(Nc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC001204455331 1081784427 /nfs/dbraw/zinc/78/44/27/1081784427.db2.gz AETSIHRMBDZIFV-UHFFFAOYSA-N 0 1 312.373 3.090 20 5 DGBDMN CNC(=O)c1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC001210399314 1081957684 /nfs/dbraw/zinc/95/76/84/1081957684.db2.gz VTGCBAJJLBKMSU-UHFFFAOYSA-N 0 1 321.720 3.057 20 5 DGBDMN CCO[C@H]1C[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001167473049 1082202802 /nfs/dbraw/zinc/20/28/02/1082202802.db2.gz FNKPFJLPGLXPEA-CABCVRRESA-N 0 1 310.369 3.369 20 5 DGBDMN COc1ccc(C[C@H](C)N2CCCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329777 1082347855 /nfs/dbraw/zinc/34/78/55/1082347855.db2.gz UHZIFHVLBUQJIM-JSGCOSHPSA-N 0 1 310.369 3.358 20 5 DGBDMN CC(CC(=O)OC(C)C)=Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001156514967 1089559520 /nfs/dbraw/zinc/55/95/20/1089559520.db2.gz NROXTBXHRJAQHY-FLIBITNWSA-N 0 1 315.329 3.410 20 5 DGBDMN CN(Cc1cnc[nH]1)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001163704339 1090237966 /nfs/dbraw/zinc/23/79/66/1090237966.db2.gz CGEBQKYMAUPMSZ-UHFFFAOYSA-N 0 1 301.133 3.261 20 5 DGBDMN C[C@@H]1CCC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1C ZINC001139523794 1091584745 /nfs/dbraw/zinc/58/47/45/1091584745.db2.gz KHOVGOQRHMCSDX-WOPDTQHZSA-N 0 1 306.362 3.103 20 5 DGBDMN CN1CCN(Cc2c3ccccc3cc3ccccc32)CC1=O ZINC001141723398 1092323917 /nfs/dbraw/zinc/32/39/17/1092323917.db2.gz WNPSCGSTCKQOLU-UHFFFAOYSA-N 0 1 304.393 3.267 20 5 DGBDMN CC(=O)Oc1ccc(F)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210398759 1093154692 /nfs/dbraw/zinc/15/46/92/1093154692.db2.gz KRXGHQVRKJOAQB-UHFFFAOYSA-N 0 1 306.249 3.108 20 5 DGBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2ccc(F)cc2F)no1 ZINC001216890647 1094274591 /nfs/dbraw/zinc/27/45/91/1094274591.db2.gz FPDQRQNNJBYYPQ-UHFFFAOYSA-N 0 1 319.223 3.296 20 5 DGBDMN CC(C)(NCc1cn2ccnc2s1)c1ccc([N+](=O)[O-])cc1 ZINC001120039893 1094359382 /nfs/dbraw/zinc/35/93/82/1094359382.db2.gz NEKYLISYQXYXNS-UHFFFAOYSA-N 0 1 316.386 3.329 20 5 DGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001116810658 1095665661 /nfs/dbraw/zinc/66/56/61/1095665661.db2.gz ZRLCABFDSMVVIP-UHFFFAOYSA-N 0 1 320.368 3.387 20 5 DGBDMN C[C@H](Cc1ccsc1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001148903786 1096464357 /nfs/dbraw/zinc/46/43/57/1096464357.db2.gz GGCQANFVNJOQNY-SNVBAGLBSA-N 0 1 320.370 3.065 20 5 DGBDMN C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001148903785 1096464620 /nfs/dbraw/zinc/46/46/20/1096464620.db2.gz GGCQANFVNJOQNY-JTQLQIEISA-N 0 1 320.370 3.065 20 5 DGBDMN Cc1cc([N+](=O)[O-])c(O[C@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001225601040 1096479286 /nfs/dbraw/zinc/47/92/86/1096479286.db2.gz MBDPVVAQQHGDHP-LBPRGKRZSA-N 0 1 323.349 3.063 20 5 DGBDMN CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCCN(C(C)C)C1 ZINC001226532659 1096715930 /nfs/dbraw/zinc/71/59/30/1096715930.db2.gz WCAZYYZARYVMSG-AWEZNQCLSA-N 0 1 306.362 3.049 20 5 DGBDMN NCc1nccnc1Nc1nc2ccccc2c2ccccc21 ZINC001171449227 1096864150 /nfs/dbraw/zinc/86/41/50/1096864150.db2.gz QYNWJWGMJWXKJI-UHFFFAOYSA-N 0 1 301.353 3.380 20 5 DGBDMN O=c1c2ccccc2oc2cc(O[C@H]3CN4CCC3CC4)ccc21 ZINC001228184331 1097069182 /nfs/dbraw/zinc/06/91/82/1097069182.db2.gz SDIJQWOEKZYFRI-IBGZPJMESA-N 0 1 321.376 3.419 20 5 DGBDMN C[C@@H]1CCCC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241475 1097080087 /nfs/dbraw/zinc/08/00/87/1097080087.db2.gz CLCJQQUWYMUPLC-RNCFNFMXSA-N 0 1 303.318 3.201 20 5 DGBDMN C[C@@H]1CCC[C@@H](C)C1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604117 1097151151 /nfs/dbraw/zinc/15/11/51/1097151151.db2.gz PHIGIAVDTZULFN-RKDXNWHRSA-N 0 1 307.350 3.171 20 5 DGBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCC=CCCC2)cc1O ZINC001228813636 1097196883 /nfs/dbraw/zinc/19/68/83/1097196883.db2.gz DXMSZCCCYVVSPN-LLVKDONJSA-N 0 1 321.329 3.355 20 5 DGBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCc3ccncc3C1)CC2 ZINC001172915259 1097278982 /nfs/dbraw/zinc/27/89/82/1097278982.db2.gz MTEYXWMKTOCPRT-GOSISDBHSA-N 0 1 323.396 3.296 20 5 DGBDMN Cc1nc(O[C@@H]2Cc3cccc4cccc2c34)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377080 1097308762 /nfs/dbraw/zinc/30/87/62/1097308762.db2.gz ZCUPRVHICNRRJW-CYBMUJFWSA-N 0 1 323.308 3.228 20 5 DGBDMN C[NH+](C)CC[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229395484 1097311942 /nfs/dbraw/zinc/31/19/42/1097311942.db2.gz IPOIMTGFZGVWGR-MRXNPFEDSA-N 0 1 316.357 3.372 20 5 DGBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1(c2ccccc2)COC1 ZINC001173219153 1097370114 /nfs/dbraw/zinc/37/01/14/1097370114.db2.gz XPOLUOIEIXFIHV-CQSZACIVSA-N 0 1 312.369 3.041 20 5 DGBDMN Cc1cc([O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1[N+](=O)[O-] ZINC001229754444 1097377934 /nfs/dbraw/zinc/37/79/34/1097377934.db2.gz PUNOMWCOMDBVOU-WDNDVIMCSA-N 0 1 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Cc1[nH]nc(C(=O)N2CCC[C@H]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000299522566 533660906 /nfs/dbraw/zinc/66/09/06/533660906.db2.gz BLGWZGVQUHBMST-ZDUSSCGKSA-N 0 1 320.393 3.201 20 5 DGBDMN C[C@@H](NCc1c(C2CC2)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000595078036 400100972 /nfs/dbraw/zinc/10/09/72/400100972.db2.gz SHACHCNKAGSIJW-LLVKDONJSA-N 0 1 300.362 3.057 20 5 DGBDMN CO[C@@]1(C)C[C@H]1N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595106064 400107608 /nfs/dbraw/zinc/10/76/08/400107608.db2.gz HKXCPEJFUBKZGB-SQNIBIBYSA-N 0 1 312.369 3.451 20 5 DGBDMN Cc1ccc([C@@H](C)N[C@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000595025103 400080448 /nfs/dbraw/zinc/08/04/48/400080448.db2.gz GIZIYLCEWRNHSH-OCCSQVGLSA-N 0 1 300.362 3.285 20 5 DGBDMN COc1cccc2c1OCC[C@@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000609599131 400180258 /nfs/dbraw/zinc/18/02/58/400180258.db2.gz WXGPEIURBDAEND-HNNXBMFYSA-N 0 1 314.341 3.217 20 5 DGBDMN Cc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])N2CCCC2)o1 ZINC000608779136 400119791 /nfs/dbraw/zinc/11/97/91/400119791.db2.gz UVXCLLPBTSRDMO-AWEZNQCLSA-N 0 1 316.361 3.140 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000609120966 400141424 /nfs/dbraw/zinc/14/14/24/400141424.db2.gz PRESLIAROMPFQF-AWEZNQCLSA-N 0 1 317.389 3.106 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000609120968 400141522 /nfs/dbraw/zinc/14/15/22/400141522.db2.gz QFNQXMYEBGCRJL-INIZCTEOSA-N 0 1 317.389 3.106 20 5 DGBDMN Cc1noc(CN2CC[C@H](c3cc(C)cc(C)c3)C2)c1[N+](=O)[O-] ZINC000595425072 400145657 /nfs/dbraw/zinc/14/56/57/400145657.db2.gz IWRRCUHHGRTBNF-AWEZNQCLSA-N 0 1 315.373 3.498 20 5 DGBDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000092040719 400150406 /nfs/dbraw/zinc/15/04/06/400150406.db2.gz MPXAGXAAAJBULM-CVEARBPZSA-N 0 1 320.389 3.080 20 5 DGBDMN CCO[C@@H]1C[C@@H](NCc2onc(C)c2[N+](=O)[O-])C12CCCCC2 ZINC000595455022 400156500 /nfs/dbraw/zinc/15/65/00/400156500.db2.gz QYUCDKPVJPFXSQ-ZIAGYGMSSA-N 0 1 323.393 3.109 20 5 DGBDMN Cc1noc(CN2CC[C@@H](c3ccc(C)cc3C)C2)c1[N+](=O)[O-] ZINC000595468112 400160266 /nfs/dbraw/zinc/16/02/66/400160266.db2.gz JFYDFRLBLAROHD-CQSZACIVSA-N 0 1 315.373 3.498 20 5 DGBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000609393002 400165776 /nfs/dbraw/zinc/16/57/76/400165776.db2.gz QHSHLVYUMHDORK-UHFFFAOYSA-N 0 1 313.357 3.102 20 5 DGBDMN Cc1noc(CN2CCC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595503400 400170549 /nfs/dbraw/zinc/17/05/49/400170549.db2.gz UKILWXAFZFIKGY-CQSZACIVSA-N 0 1 301.346 3.271 20 5 DGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C2CCCC1CCC2 ZINC000610243524 400227081 /nfs/dbraw/zinc/22/70/81/400227081.db2.gz HZRSXIGVIONMQF-UHFFFAOYSA-N 0 1 314.345 3.018 20 5 DGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](n2ccnc2)C1 ZINC000610368835 400252131 /nfs/dbraw/zinc/25/21/31/400252131.db2.gz UTMVGBJSIMHDBD-KBPBESRZSA-N 0 1 300.362 3.189 20 5 DGBDMN COC(=O)CC1(NCc2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000610677048 400289379 /nfs/dbraw/zinc/28/93/79/400289379.db2.gz WWXIDGYQIIFHDU-UHFFFAOYSA-N 0 1 324.352 3.090 20 5 DGBDMN CCCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2OC)c(=O)c1C ZINC000601936868 400380290 /nfs/dbraw/zinc/38/02/90/400380290.db2.gz WMIBAVLEROMETI-JTQLQIEISA-N 0 1 305.334 3.132 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350085 400383062 /nfs/dbraw/zinc/38/30/62/400383062.db2.gz ATIXNIHRQZEVMY-ZIAGYGMSSA-N 0 1 322.380 3.373 20 5 DGBDMN CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084423 400343812 /nfs/dbraw/zinc/34/38/12/400343812.db2.gz VTMPOOZRJORSKQ-SNVBAGLBSA-N 0 1 317.311 3.144 20 5 DGBDMN CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC12CCCCC2 ZINC000596251687 400361308 /nfs/dbraw/zinc/36/13/08/400361308.db2.gz WMZGZTSCPLZBEU-UHFFFAOYSA-N 0 1 324.812 3.098 20 5 DGBDMN CC(=O)c1ccc(NC[C@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308352 400376155 /nfs/dbraw/zinc/37/61/55/400376155.db2.gz RFFYRGKVDGCZGB-CYBMUJFWSA-N 0 1 305.378 3.082 20 5 DGBDMN O=[N+]([O-])c1ccsc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000611410971 400395304 /nfs/dbraw/zinc/39/53/04/400395304.db2.gz DQIFQSVGQDJLTP-CYBMUJFWSA-N 0 1 303.387 3.343 20 5 DGBDMN CC(C)(C)n1cc(CSCc2cc(O)ccc2[N+](=O)[O-])nn1 ZINC000596384656 400400573 /nfs/dbraw/zinc/40/05/73/400400573.db2.gz RZDPHWKMLDTOBT-UHFFFAOYSA-N 0 1 322.390 3.080 20 5 DGBDMN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2Cc2ccccc2)s1 ZINC000596557579 400444459 /nfs/dbraw/zinc/44/44/59/400444459.db2.gz JQZQNCYEDOOBEQ-ZDUSSCGKSA-N 0 1 303.387 3.343 20 5 DGBDMN CCC(C)(C)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074320297 400504900 /nfs/dbraw/zinc/50/49/00/400504900.db2.gz CYZJXJLVRRIUBH-UHFFFAOYSA-N 0 1 304.350 3.265 20 5 DGBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000602780333 400571852 /nfs/dbraw/zinc/57/18/52/400571852.db2.gz HGFURHQESMSRQV-GXTWGEPZSA-N 0 1 318.377 3.166 20 5 DGBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3ccns3)C2)cc1 ZINC000602685395 400538307 /nfs/dbraw/zinc/53/83/07/400538307.db2.gz NYQUFNVLELJRSA-CYBMUJFWSA-N 0 1 303.387 3.431 20 5 DGBDMN CN(Cc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000075898248 400619642 /nfs/dbraw/zinc/61/96/42/400619642.db2.gz VOUIFAHMEDFAEP-QGZVFWFLSA-N 0 1 300.358 3.150 20 5 DGBDMN COc1ccc(CN2CCC3(CC3(F)F)CC2)cc1[N+](=O)[O-] ZINC000593076509 400754579 /nfs/dbraw/zinc/75/45/79/400754579.db2.gz KFNHXZLQSLEQNS-UHFFFAOYSA-N 0 1 312.316 3.225 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159662962 400731335 /nfs/dbraw/zinc/73/13/35/400731335.db2.gz UVAZPBGHEMRRMC-BBRMVZONSA-N 0 1 317.389 3.106 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159662962 400731338 /nfs/dbraw/zinc/73/13/38/400731338.db2.gz UVAZPBGHEMRRMC-BBRMVZONSA-N 0 1 317.389 3.106 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000164541835 400750017 /nfs/dbraw/zinc/75/00/17/400750017.db2.gz IODAONKHYMXUPS-LBPRGKRZSA-N 0 1 307.394 3.208 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(C1CC1)C1CCCCC1 ZINC000613906878 400810729 /nfs/dbraw/zinc/81/07/29/400810729.db2.gz BZGNKEHRSHIQPG-UHFFFAOYSA-N 0 1 304.346 3.238 20 5 DGBDMN CC[C@@H]1CCC[C@H](C)N1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000598461142 400816894 /nfs/dbraw/zinc/81/68/94/400816894.db2.gz GAISSBZBLYQQJJ-WDEREUQCSA-N 0 1 308.382 3.235 20 5 DGBDMN O=[N+]([O-])c1ccc2[nH]c(CNCc3cc4ccccc4[nH]3)nc2c1 ZINC000619075653 400760637 /nfs/dbraw/zinc/76/06/37/400760637.db2.gz QPGYMIMAFIGYIO-UHFFFAOYSA-N 0 1 321.340 3.242 20 5 DGBDMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000598299629 400776728 /nfs/dbraw/zinc/77/67/28/400776728.db2.gz QBLFUAGCEMGTSN-GHMZBOCLSA-N 0 1 316.361 3.122 20 5 DGBDMN CCN(CCOc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000604525331 400783565 /nfs/dbraw/zinc/78/35/65/400783565.db2.gz PJMFCGRDKCJQNL-UHFFFAOYSA-N 0 1 306.284 3.248 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000598398977 400803361 /nfs/dbraw/zinc/80/33/61/400803361.db2.gz HORHYUQVPDHGKA-GFCCVEGCSA-N 0 1 320.393 3.094 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2CC1(c1ccccc1)C2 ZINC000598554848 400830449 /nfs/dbraw/zinc/83/04/49/400830449.db2.gz OHXALXJADKAQHH-UHFFFAOYSA-N 0 1 324.336 3.062 20 5 DGBDMN C[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000237083632 400985516 /nfs/dbraw/zinc/98/55/16/400985516.db2.gz ASASCQRNTUODPU-CYBMUJFWSA-N 0 1 315.373 3.039 20 5 DGBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](CO)c1cccc(F)c1 ZINC000594497424 401081200 /nfs/dbraw/zinc/08/12/00/401081200.db2.gz AGRZYBIMHWCXDI-HZPDHXFCSA-N 0 1 316.332 3.044 20 5 DGBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]3CCCC[C@@]32C)c1 ZINC000599669133 401108193 /nfs/dbraw/zinc/10/81/93/401108193.db2.gz BTZUJMBUTWVEDA-YOEHRIQHSA-N 0 1 318.373 3.146 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC2(CC2)CC1 ZINC000599673545 401108590 /nfs/dbraw/zinc/10/85/90/401108590.db2.gz SWNSVOJINKJGRW-UHFFFAOYSA-N 0 1 317.389 3.108 20 5 DGBDMN C[C@H]1CC(F)(F)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000599623353 401093290 /nfs/dbraw/zinc/09/32/90/401093290.db2.gz ORAKFTPHZCPAIR-NSHDSACASA-N 0 1 300.305 3.093 20 5 DGBDMN CC(C)n1ccnc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594945239 401202713 /nfs/dbraw/zinc/20/27/13/401202713.db2.gz WRDWSUNGTTUFJC-UHFFFAOYSA-N 0 1 322.796 3.358 20 5 DGBDMN C[C@@H](N[C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000361878079 286737872 /nfs/dbraw/zinc/73/78/72/286737872.db2.gz XIGMPEUTMCSYDD-DYVFJYSZSA-N 0 1 300.358 3.369 20 5 DGBDMN COc1ccc(OC)c(CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000237239543 165426095 /nfs/dbraw/zinc/42/60/95/165426095.db2.gz LPVPVILQSAFIFA-UHFFFAOYSA-N 0 1 316.357 3.210 20 5 DGBDMN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182182809 432163472 /nfs/dbraw/zinc/16/34/72/432163472.db2.gz OIOFAYZYUZDPFP-LSDHHAIUSA-N 0 1 312.797 3.374 20 5 DGBDMN O=[N+]([O-])c1cc(CN2CC[C@H]3OCCC[C@H]3C2)ccc1Cl ZINC000246765032 432163801 /nfs/dbraw/zinc/16/38/01/432163801.db2.gz QEXDYCXNUHICPV-SWLSCSKDSA-N 0 1 310.781 3.249 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N(C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000269364816 432167003 /nfs/dbraw/zinc/16/70/03/432167003.db2.gz KHNMSYZCQFLDHX-UHFFFAOYSA-N 0 1 308.382 3.094 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000269378930 432167621 /nfs/dbraw/zinc/16/76/21/432167621.db2.gz OLHAYQGFTJFALF-LLVKDONJSA-N 0 1 316.361 3.275 20 5 DGBDMN CCc1[nH]nc(C(=O)N2CCCC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000171880045 432181225 /nfs/dbraw/zinc/18/12/25/432181225.db2.gz CSSKBRQFSIPRGQ-UHFFFAOYSA-N 0 1 320.393 3.067 20 5 DGBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)C(C)(C)C ZINC000182354141 432182001 /nfs/dbraw/zinc/18/20/01/432182001.db2.gz ALUPEJWPTUZFMX-ZDUSSCGKSA-N 0 1 300.786 3.087 20 5 DGBDMN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000269705731 432201345 /nfs/dbraw/zinc/20/13/45/432201345.db2.gz NKEJBVBNCGTYKV-QFYYESIMSA-N 0 1 322.311 3.257 20 5 DGBDMN Cc1cnn([C@@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247254079 432216827 /nfs/dbraw/zinc/21/68/27/432216827.db2.gz UFEXACGFIGGVCR-RHSMWYFYSA-N 0 1 314.389 3.498 20 5 DGBDMN CC(C)(CCc1noc(-c2ccc(O)c(Cl)c2)n1)[N+](=O)[O-] ZINC000291080513 222121771 /nfs/dbraw/zinc/12/17/71/222121771.db2.gz NLWVJDFSNKQQMR-UHFFFAOYSA-N 0 1 311.725 3.084 20 5 DGBDMN COc1ncccc1CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302146976 230124943 /nfs/dbraw/zinc/12/49/43/230124943.db2.gz GVLRTPWYPMUTKP-UHFFFAOYSA-N 0 1 324.340 3.467 20 5 DGBDMN CCc1ccc([C@H](NCC(C)(C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346563750 264055176 /nfs/dbraw/zinc/05/51/76/264055176.db2.gz RDCPSXGWSXCTBE-MRXNPFEDSA-N 0 1 318.373 3.200 20 5 DGBDMN CO[C@]1(C)C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352612682 265104889 /nfs/dbraw/zinc/10/48/89/265104889.db2.gz QPYQJWJTMCZLCL-GDBMZVCRSA-N 0 1 310.369 3.369 20 5 DGBDMN CCc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000352629186 265109294 /nfs/dbraw/zinc/10/92/94/265109294.db2.gz FVAGDSBYLNYVKH-UHFFFAOYSA-N 0 1 310.313 3.286 20 5 DGBDMN C[C@@H]1CSC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352817367 265178931 /nfs/dbraw/zinc/17/89/31/265178931.db2.gz RBFYSOUZEREJDV-YGRLFVJLSA-N 0 1 319.386 3.091 20 5 DGBDMN Cc1cccc(C)c1[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355354432 266048930 /nfs/dbraw/zinc/04/89/30/266048930.db2.gz ZFMXABXWHIQHFH-GFCCVEGCSA-N 0 1 314.341 3.408 20 5 DGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000355603191 266129488 /nfs/dbraw/zinc/12/94/88/266129488.db2.gz FUTQJEQNHOTDDV-UHFFFAOYSA-N 0 1 310.260 3.125 20 5 DGBDMN CC1CCC(C)(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000355999116 266252751 /nfs/dbraw/zinc/25/27/51/266252751.db2.gz SFSYOLRZIDDYSJ-UHFFFAOYSA-N 0 1 316.361 3.170 20 5 DGBDMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356310447 266350335 /nfs/dbraw/zinc/35/03/35/266350335.db2.gz IFSVUYQCGILNMT-OUCADQQQSA-N 0 1 318.373 3.389 20 5 DGBDMN O=C(Nc1ccc2ncsc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356327035 266355286 /nfs/dbraw/zinc/35/52/86/266355286.db2.gz OZMQLBPIQZXTBN-UHFFFAOYSA-N 0 1 315.310 3.162 20 5 DGBDMN C[C@H](NCc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000151462477 432248297 /nfs/dbraw/zinc/24/82/97/432248297.db2.gz WBHGYZSZQYDLIR-ZDUSSCGKSA-N 0 1 323.356 3.026 20 5 DGBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCCOCC3)o2)c1 ZINC000370075141 271339501 /nfs/dbraw/zinc/33/95/01/271339501.db2.gz YTOSBSGWKHMMPF-UHFFFAOYSA-N 0 1 302.330 3.077 20 5 DGBDMN Cc1cc(N2CCN(C3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461724105 274706654 /nfs/dbraw/zinc/70/66/54/274706654.db2.gz AXDPXHRFKWISQC-UHFFFAOYSA-N 0 1 307.369 3.107 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2CC(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000294409364 276040489 /nfs/dbraw/zinc/04/04/89/276040489.db2.gz UCKDANURERIZOM-UHFFFAOYSA-N 0 1 320.393 3.094 20 5 DGBDMN CC(C)c1[nH]nc(C(=O)N2CCC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000269555847 276040631 /nfs/dbraw/zinc/04/06/31/276040631.db2.gz ZAFNLLICJWGXMX-UHFFFAOYSA-N 0 1 320.393 3.238 20 5 DGBDMN COC(=O)[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249068204 277353967 /nfs/dbraw/zinc/35/39/67/277353967.db2.gz KLLYXFDKUNKETO-KCQAQPDRSA-N 0 1 320.389 3.095 20 5 DGBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000331213201 279013649 /nfs/dbraw/zinc/01/36/49/279013649.db2.gz LENFBKQETFGYLV-VXGBXAGGSA-N 0 1 322.409 3.482 20 5 DGBDMN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000278908045 279539467 /nfs/dbraw/zinc/53/94/67/279539467.db2.gz ZWMQKXWQUJZBFF-ZBEGNZNMSA-N 0 1 300.362 3.057 20 5 DGBDMN C[C@H](N[C@H]1CCCc2occc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293270836 279540222 /nfs/dbraw/zinc/54/02/22/279540222.db2.gz CILORZMACPLFJM-HZMBPMFUSA-N 0 1 301.346 3.498 20 5 DGBDMN O=[N+]([O-])c1ccccc1CN(CCO)[C@@H]1CCc2ccccc21 ZINC000074311516 431413801 /nfs/dbraw/zinc/41/38/01/431413801.db2.gz FGLQXBQUWHVFLL-GOSISDBHSA-N 0 1 312.369 3.077 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1C(C)C ZINC000117348642 431559430 /nfs/dbraw/zinc/55/94/30/431559430.db2.gz IAJHENDPCLRYAP-MRXNPFEDSA-N 0 1 319.405 3.352 20 5 DGBDMN CC(C)[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000117349028 431560520 /nfs/dbraw/zinc/56/05/20/431560520.db2.gz UELNFBCGCXOJSY-AWEZNQCLSA-N 0 1 305.378 3.044 20 5 DGBDMN CC(C)N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000076902768 431565942 /nfs/dbraw/zinc/56/59/42/431565942.db2.gz DTMNYKHOEGJGNV-UHFFFAOYSA-N 0 1 302.334 3.018 20 5 DGBDMN C[C@H]1C[C@H](C)CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000014183659 431581371 /nfs/dbraw/zinc/58/13/71/431581371.db2.gz GJDZEXGSTOFGSS-RYUDHWBXSA-N 0 1 316.361 3.123 20 5 DGBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000119404512 431689145 /nfs/dbraw/zinc/68/91/45/431689145.db2.gz SLEURZTVFYLEDP-VERVWZFWSA-N 0 1 318.398 3.183 20 5 DGBDMN CC(C)N(C(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000079309405 431720415 /nfs/dbraw/zinc/72/04/15/431720415.db2.gz MKHPIAOLLFCRGX-KGLIPLIRSA-N 0 1 321.421 3.279 20 5 DGBDMN C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1C ZINC000123029387 431852551 /nfs/dbraw/zinc/85/25/51/431852551.db2.gz MMXDOJPTDYIMFV-RYUDHWBXSA-N 0 1 316.361 3.123 20 5 DGBDMN CCc1onc(C)c1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000089396824 431864756 /nfs/dbraw/zinc/86/47/56/431864756.db2.gz SSKLRAIJBITDJM-UHFFFAOYSA-N 0 1 309.709 3.359 20 5 DGBDMN CCC[C@H](N[C@H]1CCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000089728398 431875925 /nfs/dbraw/zinc/87/59/25/431875925.db2.gz ZBDSDNHNVTYFCP-HOTGVXAUSA-N 0 1 319.405 3.035 20 5 DGBDMN CCC[C@H](N[C@@H]1CCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000089728396 431876035 /nfs/dbraw/zinc/87/60/35/431876035.db2.gz ZBDSDNHNVTYFCP-JKSUJKDBSA-N 0 1 319.405 3.035 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000127568294 431975840 /nfs/dbraw/zinc/97/58/40/431975840.db2.gz MSOHXBQVMJFKKV-OLZOCXBDSA-N 0 1 319.405 3.210 20 5 DGBDMN O=[N+]([O-])c1ccc(CNCCOc2ccccc2)c(Cl)c1 ZINC000049963741 431945891 /nfs/dbraw/zinc/94/58/91/431945891.db2.gz MFDIZKOAUISNGC-UHFFFAOYSA-N 0 1 306.749 3.417 20 5 DGBDMN COc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000126415601 431949701 /nfs/dbraw/zinc/94/97/01/431949701.db2.gz UGFZKUYKAGPONQ-LBPRGKRZSA-N 0 1 301.346 3.158 20 5 DGBDMN CC[C@H](N[C@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000090918454 280973703 /nfs/dbraw/zinc/97/37/03/280973703.db2.gz VXEHBBURHYNDLD-HOTGVXAUSA-N 0 1 314.389 3.447 20 5 DGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC(C)(C)CC1 ZINC000127111923 431964925 /nfs/dbraw/zinc/96/49/25/431964925.db2.gz YZPHTXPXMSDIHJ-UHFFFAOYSA-N 0 1 319.405 3.354 20 5 DGBDMN C[C@H](c1ccccn1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127961892 431984915 /nfs/dbraw/zinc/98/49/15/431984915.db2.gz BDDXSEDDVSLJSX-CYBMUJFWSA-N 0 1 301.346 3.062 20 5 DGBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000128377071 431992979 /nfs/dbraw/zinc/99/29/79/431992979.db2.gz KKRCRZOZLVLZHA-HOCLYGCPSA-N 0 1 318.352 3.204 20 5 DGBDMN O=[N+]([O-])c1cccc(CSc2nc(-c3cccnc3)n[nH]2)c1 ZINC000060530438 431999945 /nfs/dbraw/zinc/99/99/45/431999945.db2.gz ZPATVGFVLJRVAR-UHFFFAOYSA-N 0 1 313.342 3.067 20 5 DGBDMN CC(C)C[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000128763161 432000085 /nfs/dbraw/zinc/00/00/85/432000085.db2.gz FLJTVZSRMOGBLU-NSHDSACASA-N 0 1 316.361 3.122 20 5 DGBDMN Cc1noc([C@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249707312 432355427 /nfs/dbraw/zinc/35/54/27/432355427.db2.gz PMZGICJBJMZXNR-RISCZKNCSA-N 0 1 316.361 3.227 20 5 DGBDMN Cc1ccc2nc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])[nH]c2c1 ZINC000174868596 432374967 /nfs/dbraw/zinc/37/49/67/432374967.db2.gz UCHUGSFTFUSCJC-UHFFFAOYSA-N 0 1 324.340 3.018 20 5 DGBDMN Cc1ccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000174901723 432377099 /nfs/dbraw/zinc/37/70/99/432377099.db2.gz JWMFIKIENHSECG-UHFFFAOYSA-N 0 1 324.340 3.018 20 5 DGBDMN Cc1ccccc1[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C ZINC000153100211 432384471 /nfs/dbraw/zinc/38/44/71/432384471.db2.gz DTBQUFICEXCGAR-AWEZNQCLSA-N 0 1 316.361 3.144 20 5 DGBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000249835013 432359969 /nfs/dbraw/zinc/35/99/69/432359969.db2.gz RJXPHHVLGGLPTE-TZMCWYRMSA-N 0 1 319.405 3.352 20 5 DGBDMN CC[C@@H](N[C@@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000192806254 432417084 /nfs/dbraw/zinc/41/70/84/432417084.db2.gz VXEHBBURHYNDLD-HZPDHXFCSA-N 0 1 314.389 3.447 20 5 DGBDMN CCc1nc([C@H](C)NCCOc2ccccc2[N+](=O)[O-])cs1 ZINC000184717018 432426541 /nfs/dbraw/zinc/42/65/41/432426541.db2.gz ONJKCHJJVSMIAQ-NSHDSACASA-N 0 1 321.402 3.343 20 5 DGBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000176204327 432500148 /nfs/dbraw/zinc/50/01/48/432500148.db2.gz OABQWOMMHOQEGX-AWEZNQCLSA-N 0 1 320.780 3.282 20 5 DGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000272449202 432503643 /nfs/dbraw/zinc/50/36/43/432503643.db2.gz MJUDRPRKJRHRFN-UHFFFAOYSA-N 0 1 324.287 3.054 20 5 DGBDMN Cn1ccnc1[C@H](NCC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272558478 432524940 /nfs/dbraw/zinc/52/49/40/432524940.db2.gz SUHIFQUGNNEHPZ-MRXNPFEDSA-N 0 1 314.389 3.198 20 5 DGBDMN CC(C)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC000263369245 432538070 /nfs/dbraw/zinc/53/80/70/432538070.db2.gz UWBANNVQRCIWLZ-TZMCWYRMSA-N 0 1 320.389 3.403 20 5 DGBDMN C[C@@H](N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C)CC1 ZINC000177228319 432601116 /nfs/dbraw/zinc/60/11/16/432601116.db2.gz JRBQTFJTIYMBCO-LLVKDONJSA-N 0 1 316.361 3.265 20 5 DGBDMN COc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000177841784 432666457 /nfs/dbraw/zinc/66/64/57/432666457.db2.gz CGHJYXYVZYNINQ-GFCCVEGCSA-N 0 1 301.346 3.158 20 5 DGBDMN C[C@H](NCc1cn(C)nc1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000274469215 432672468 /nfs/dbraw/zinc/67/24/68/432672468.db2.gz JGSCYNJFCVSUEV-VIFPVBQESA-N 0 1 310.304 3.117 20 5 DGBDMN CCC(C)(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680773 432766057 /nfs/dbraw/zinc/76/60/57/432766057.db2.gz UBHJKKOUBAWFAS-STQMWFEESA-N 0 1 321.421 3.247 20 5 DGBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCCC(C)C)cc1[N+](=O)[O-] ZINC000178686653 432767336 /nfs/dbraw/zinc/76/73/36/432767336.db2.gz VSMIHZRDMBAEFR-KBPBESRZSA-N 0 1 321.421 3.105 20 5 DGBDMN COc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000178411047 432731513 /nfs/dbraw/zinc/73/15/13/432731513.db2.gz DNCUPWXKFFVVRT-NSHDSACASA-N 0 1 302.330 3.160 20 5 DGBDMN C[C@@H](N[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266821154 432791882 /nfs/dbraw/zinc/79/18/82/432791882.db2.gz ZJJUBYGDUWCXBY-CXAGYDPISA-N 0 1 300.358 3.369 20 5 DGBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000268268894 432860400 /nfs/dbraw/zinc/86/04/00/432860400.db2.gz MNVJLUNIBFLBFD-HOCLYGCPSA-N 0 1 316.357 3.276 20 5 DGBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CC(F)(F)C2)c1 ZINC000277595644 432862890 /nfs/dbraw/zinc/86/28/90/432862890.db2.gz ICRDTXHIPKXOOA-UHFFFAOYSA-N 0 1 308.231 3.084 20 5 DGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCNC(=O)OC(C)(C)C ZINC000268311316 432863692 /nfs/dbraw/zinc/86/36/92/432863692.db2.gz BRXSYECKUZCUNM-GFCCVEGCSA-N 0 1 323.393 3.112 20 5 DGBDMN C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000245897132 432867716 /nfs/dbraw/zinc/86/77/16/432867716.db2.gz KNWATDMQGDDCBK-NWDGAFQWSA-N 0 1 316.361 3.123 20 5 DGBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245951130 432872565 /nfs/dbraw/zinc/87/25/65/432872565.db2.gz SNVWNOXXMLRSQW-OBJOEFQTSA-N 0 1 319.405 3.208 20 5 DGBDMN CC[C@H](C)c1nc([C@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000277425031 432848905 /nfs/dbraw/zinc/84/89/05/432848905.db2.gz MZDBZASFPDTKEU-YUMQZZPRSA-N 0 1 324.772 3.448 20 5 DGBDMN CCn1nccc1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000279034249 432928400 /nfs/dbraw/zinc/92/84/00/432928400.db2.gz IIWRGDJLFXNQJX-UHFFFAOYSA-N 0 1 314.389 3.191 20 5 DGBDMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000331203355 432934959 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O=[N+]([O-])c1cccc(CN(Cc2c[nH]c3nccnc23)C2CC2)c1 ZINC000290430625 433050805 /nfs/dbraw/zinc/05/08/05/433050805.db2.gz MYTKAMSZEPWNRM-UHFFFAOYSA-N 0 1 323.356 3.031 20 5 DGBDMN Cc1cc([N+](=O)[O-])ccc1CNc1ncc(C(F)(F)F)[nH]1 ZINC000290883410 433200669 /nfs/dbraw/zinc/20/06/69/433200669.db2.gz CDECJXNJLOSTNV-UHFFFAOYSA-N 0 1 300.240 3.257 20 5 DGBDMN Cc1csc([C@H](NCc2cc(O)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000339074750 433339785 /nfs/dbraw/zinc/33/97/85/433339785.db2.gz HGMVOTMAAODUID-CQSZACIVSA-N 0 1 319.386 3.306 20 5 DGBDMN C[C@@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)N1[C@H](C)CC[C@H]1C ZINC000351144857 433388879 /nfs/dbraw/zinc/38/88/79/433388879.db2.gz JCELGBCHBONVPG-BBBLOLIVSA-N 0 1 306.322 3.172 20 5 DGBDMN CC[C@H](C)C[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000361823972 433403692 /nfs/dbraw/zinc/40/36/92/433403692.db2.gz KDAWOEUTSHDKHJ-VHSXEESVSA-N 0 1 304.350 3.026 20 5 DGBDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301117697 433421017 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O=C([O-])CCCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000519765467 435707466 /nfs/dbraw/zinc/70/74/66/435707466.db2.gz CPXLKMSJARUEIN-OAHLLOKOSA-N 0 1 320.389 3.419 20 5 DGBDMN CCN(CCNc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000491599871 435777047 /nfs/dbraw/zinc/77/70/47/435777047.db2.gz WFKSLVSWMVGXGF-UHFFFAOYSA-N 0 1 305.300 3.281 20 5 DGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1c2ccccc2C[C@@H]1O ZINC000166605580 312694645 /nfs/dbraw/zinc/69/46/45/312694645.db2.gz CGDJKWPOBIVTKH-IGNZVWTISA-N 0 1 312.369 3.212 20 5 DGBDMN CCC(CC)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680391 312791357 /nfs/dbraw/zinc/79/13/57/312791357.db2.gz RUMODUSDOGDPRX-QWHCGFSZSA-N 0 1 321.421 3.247 20 5 DGBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1O ZINC000179720455 312814136 /nfs/dbraw/zinc/81/41/36/312814136.db2.gz RQUCHWYGOHNAFB-UHFFFAOYSA-N 0 1 306.705 3.135 20 5 DGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCc2nc(C)ncc2C1 ZINC000530341833 313359795 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O=[N+]([O-])c1ccc(NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000068838395 431144223 /nfs/dbraw/zinc/14/42/23/431144223.db2.gz UHDGSIYIIMRLEO-UHFFFAOYSA-N 0 1 319.405 3.042 20 5 DGBDMN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007379463 431344824 /nfs/dbraw/zinc/34/48/24/431344824.db2.gz JJWAMTNEWQTVCP-QWHCGFSZSA-N 0 1 313.357 3.273 20 5 DGBDMN COc1cc(-c2nc3cc(F)ccc3n2C)cc([N+](=O)[O-])c1O ZINC000075919643 431506874 /nfs/dbraw/zinc/50/68/74/431506874.db2.gz UPOMQLWCVXHWNZ-UHFFFAOYSA-N 0 1 317.276 3.002 20 5 DGBDMN Cc1c(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000417313528 280227409 /nfs/dbraw/zinc/22/74/09/280227409.db2.gz WJMULTVHCPTAFN-QGZVFWFLSA-N 0 1 314.389 3.194 20 5 DGBDMN CCCCN(CC)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000027272331 431687593 /nfs/dbraw/zinc/68/75/93/431687593.db2.gz ZMMINVSJJOHULV-UHFFFAOYSA-N 0 1 323.393 3.054 20 5 DGBDMN Cc1cc(N2CCC[C@@](C)(O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000280512467 280553156 /nfs/dbraw/zinc/55/31/56/280553156.db2.gz 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O=[N+]([O-])c1cccc(CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000185479441 432504164 /nfs/dbraw/zinc/50/41/64/432504164.db2.gz RNRBTXHDDJFTFJ-UHFFFAOYSA-N 0 1 312.369 3.078 20 5 DGBDMN Cc1ccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263506451 432549437 /nfs/dbraw/zinc/54/94/37/432549437.db2.gz MDXWTSCULUBARG-LZWOXQAQSA-N 0 1 318.373 3.121 20 5 DGBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000263531705 432552931 /nfs/dbraw/zinc/55/29/31/432552931.db2.gz WWLNLQMOUHQWCY-UHFFFAOYSA-N 0 1 318.329 3.150 20 5 DGBDMN Cc1ccc([C@H](C)NCc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000154754414 432519422 /nfs/dbraw/zinc/51/94/22/432519422.db2.gz GMAURMGKPZXJSA-ZDUSSCGKSA-N 0 1 314.389 3.215 20 5 DGBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000263399991 432541684 /nfs/dbraw/zinc/54/16/84/432541684.db2.gz HTQQAFSLLILLCY-UHFFFAOYSA-N 0 1 318.329 3.151 20 5 DGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C)C1 ZINC000263779384 432576488 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COc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000178647712 432761813 /nfs/dbraw/zinc/76/18/13/432761813.db2.gz GGWAWZNLCTVWFM-GFCCVEGCSA-N 0 1 316.357 3.463 20 5 DGBDMN CCCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680184 432766825 /nfs/dbraw/zinc/76/68/25/432766825.db2.gz FKRMGNYEACHBSR-KGLIPLIRSA-N 0 1 321.421 3.249 20 5 DGBDMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1[N+](=O)[O-] ZINC000189224957 432771865 /nfs/dbraw/zinc/77/18/65/432771865.db2.gz GVEIAUJRJKHLDZ-UHFFFAOYSA-N 0 1 324.333 3.152 20 5 DGBDMN C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266761222 432784566 /nfs/dbraw/zinc/78/45/66/432784566.db2.gz GRPOERPHRRBDEX-ZBEGNZNMSA-N 0 1 304.321 3.118 20 5 DGBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000277530080 432858462 /nfs/dbraw/zinc/85/84/62/432858462.db2.gz YFOFWWGLXGZIJG-HTQZYQBOSA-N 0 1 324.772 3.448 20 5 DGBDMN CC[C@H]1CC[C@H](C)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330650962 432922670 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302.334 3.194 20 5 DGBDMN Cc1cc(N2CC[C@H](n3cccn3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000292187398 433500880 /nfs/dbraw/zinc/50/08/80/433500880.db2.gz BLWWXKCDFPIWTF-AWEZNQCLSA-N 0 1 323.356 3.099 20 5 DGBDMN CC[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000301492760 433580897 /nfs/dbraw/zinc/58/08/97/433580897.db2.gz QDKYSRGYYBMGJB-ZDUSSCGKSA-N 0 1 305.378 3.106 20 5 DGBDMN CC[C@@H](Cc1ccccc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356510867 433596408 /nfs/dbraw/zinc/59/64/08/433596408.db2.gz JTPTYSJMZCNCLM-AWEZNQCLSA-N 0 1 314.341 3.052 20 5 DGBDMN Cn1cnc([N+](=O)[O-])c1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000356599742 433621743 /nfs/dbraw/zinc/62/17/43/433621743.db2.gz WZEFHANHYYHAPM-UHFFFAOYSA-N 0 1 323.765 3.150 20 5 DGBDMN Cc1cc(N[C@@H](C)c2nnc[nH]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000293191706 433651700 /nfs/dbraw/zinc/65/17/00/433651700.db2.gz WLACWEKHDOSARF-ZETCQYMHSA-N 0 1 315.255 3.213 20 5 DGBDMN CCOc1cc(N[C@@H](C)c2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000356787330 433697016 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DGBDMN CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460139249 1182655751 /nfs/dbraw/zinc/65/57/51/1182655751.db2.gz FEFCDQKOXCLRSC-CQSZACIVSA-N 0 1 311.813 3.164 20 5 DGBDMN CC(C)(C)CCN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001472665797 1183663704 /nfs/dbraw/zinc/66/37/04/1183663704.db2.gz WNHNKFMUFDHZMP-UHFFFAOYSA-N 0 1 309.385 3.292 20 5 DGBDMN Cc1ccc(CNc2ccncc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001472857449 1183691467 /nfs/dbraw/zinc/69/14/67/1183691467.db2.gz JDAIGIYAMXLYTF-UHFFFAOYSA-N 0 1 311.263 3.351 20 5 DGBDMN CCCN(CCc1ccc([N+](=O)[O-])cc1)[C@H](CC)C(=O)OCC ZINC001473382096 1183749903 /nfs/dbraw/zinc/74/99/03/1183749903.db2.gz SXJNAZXQMIIRIV-MRXNPFEDSA-N 0 1 322.405 3.191 20 5 DGBDMN O=[N+]([O-])c1cccc(CNCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001474188866 1183878960 /nfs/dbraw/zinc/87/89/60/1183878960.db2.gz FLDZAACFSBXBRF-UHFFFAOYSA-N 0 1 322.267 3.206 20 5 DGBDMN CC(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001518925536 1186857644 /nfs/dbraw/zinc/85/76/44/1186857644.db2.gz QJJYCQICVVGZQC-BZUAXINKSA-N 0 1 318.417 3.463 20 5 DGBDMN C[C@H]1CCCC[C@]1(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001527668891 1187441593 /nfs/dbraw/zinc/44/15/93/1187441593.db2.gz UXKZUNZIOOIAIT-QFYYESIMSA-N 0 1 316.361 3.170 20 5 DGBDMN COc1cccc(SC)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001529297582 1187547516 /nfs/dbraw/zinc/54/75/16/1187547516.db2.gz HWQLVQUGJAPQMJ-UHFFFAOYSA-N 0 1 308.315 3.171 20 5 DGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001557412356 1189062540 /nfs/dbraw/zinc/06/25/40/1189062540.db2.gz ZOEYQWHZAYIKPC-OAHLLOKOSA-N 0 1 316.288 3.027 20 5 DGBDMN CN(C)c1ccnc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC001559280620 1189191045 /nfs/dbraw/zinc/19/10/45/1189191045.db2.gz NELRTJYNACNBDW-UHFFFAOYSA-N 0 1 323.356 3.216 20 5 DGBDMN CCN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC001559621819 1189223592 /nfs/dbraw/zinc/22/35/92/1189223592.db2.gz JTOZONJXZKPWPY-UHFFFAOYSA-N 0 1 313.357 3.147 20 5 DGBDMN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001569908390 1190771778 /nfs/dbraw/zinc/77/17/78/1190771778.db2.gz NPCDSJSAESZHPI-NWDGAFQWSA-N 0 1 322.361 3.130 20 5 DGBDMN O=[N+]([O-])c1ccc(OC2CN(C[C@@H]3CC[C@H]4C[C@H]4C3)C2)cc1 ZINC001621381704 1193835949 /nfs/dbraw/zinc/83/59/49/1193835949.db2.gz PQGNWXOYPQMPSC-HZSPNIEDSA-N 0 1 302.374 3.094 20 5 DGBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc2cn[nH]c21 ZINC001641943322 1194880135 /nfs/dbraw/zinc/88/01/35/1194880135.db2.gz CWUVEJJYKAMWDP-UHFFFAOYSA-N 0 1 310.313 3.340 20 5 DGBDMN C[C@H]1CN(c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001642792852 1194940144 /nfs/dbraw/zinc/94/01/44/1194940144.db2.gz BAHCQHOKNRRVMV-HNNXBMFYSA-N 0 1 311.385 3.306 20 5 DGBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)c(C)c1 ZINC001644198967 1195089317 /nfs/dbraw/zinc/08/93/17/1195089317.db2.gz RNYBCAPOMTWNHH-UHFFFAOYSA-N 0 1 318.304 3.415 20 5 DGBDMN CC(C)=C(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001650775342 1195381838 /nfs/dbraw/zinc/38/18/38/1195381838.db2.gz LLXSUZBKVILHGO-UHFFFAOYSA-N 0 1 315.333 3.065 20 5 DGBDMN Cc1cccn2c(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)cnc12 ZINC001651552158 1195479081 /nfs/dbraw/zinc/47/90/81/1195479081.db2.gz SYCTZOFASOYRGF-CYBMUJFWSA-N 0 1 310.357 3.402 20 5 DGBDMN CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001652753079 1195647991 /nfs/dbraw/zinc/64/79/91/1195647991.db2.gz HKFZLVGAGSZTPQ-HZPDHXFCSA-N 0 1 322.405 3.326 20 5 DGBDMN CO[C@]1(C)C[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001653448876 1195724780 /nfs/dbraw/zinc/72/47/80/1195724780.db2.gz FZOGXZJKECLUTO-GOEBONIOSA-N 0 1 310.369 3.369 20 5 DGBDMN Cc1cc(NCCCCc2ccnc(N)c2)ccc1[N+](=O)[O-] ZINC001655895089 1195975185 /nfs/dbraw/zinc/97/51/85/1195975185.db2.gz TYQLXUYKFXTTJD-UHFFFAOYSA-N 0 1 300.362 3.315 20 5 DGBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1cccc2[nH]nnc21 ZINC001657392736 1196136432 /nfs/dbraw/zinc/13/64/32/1196136432.db2.gz ZYHYXMBRNQZVRK-FLIBITNWSA-N 0 1 309.329 3.382 20 5 DGBDMN O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1(O)CCCCCC1)CC2 ZINC001657539398 1196152891 /nfs/dbraw/zinc/15/28/91/1196152891.db2.gz MMDUZIUZXDOIAC-UHFFFAOYSA-N 0 1 304.390 3.038 20 5 DGBDMN O=[N+]([O-])c1ccc(CCN[C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC001660695336 1196512988 /nfs/dbraw/zinc/51/29/88/1196512988.db2.gz IXGITRAZEGIUNT-NVXWUHKLSA-N 0 1 316.332 3.199 20 5 DGBDMN O=[N+]([O-])c1ccc(CNCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001661054997 1196559679 /nfs/dbraw/zinc/55/96/79/1196559679.db2.gz YKPZGBLQZCQTFY-UHFFFAOYSA-N 0 1 322.267 3.206 20 5 DGBDMN CO[C@](C)(CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC001663641160 1196920008 /nfs/dbraw/zinc/92/00/08/1196920008.db2.gz JBPMAINJJGKXQJ-OAHLLOKOSA-N 0 1 312.797 3.495 20 5 DGBDMN