smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccccc1Oc1ncccc1[N+](=O)[O-] ZINC000090469380 179988589 /nfs/dbraw/zinc/98/85/89/179988589.db2.gz QSJUPCKYNOFKBT-UHFFFAOYSA-N 0 0 272.304 4.080 10 5 CIBERN CCC(CC)[C@@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000104440846 186002948 /nfs/dbraw/zinc/00/29/48/186002948.db2.gz QTYSAUAJJAQUHP-SECBINFHSA-N 0 0 270.760 4.485 10 5 CIBERN Cc1cc(C(=O)c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000226294674 189771719 /nfs/dbraw/zinc/77/17/19/189771719.db2.gz CDGBSNCZPJDVCO-UHFFFAOYSA-N 0 0 291.306 4.287 10 5 CIBERN O=[N+]([O-])c1ccccc1N[C@H]1CCCc2ccccc21 ZINC000004905860 170039221 /nfs/dbraw/zinc/03/92/21/170039221.db2.gz GJIFPPCHXLRKHJ-AWEZNQCLSA-N 0 0 268.316 4.084 10 5 CIBERN Cc1cccc2c(C)c3c4ccccc4nc-3n(C)c12 ZINC000005161259 170072367 /nfs/dbraw/zinc/07/23/67/170072367.db2.gz HUXZBSAFJLGENC-UHFFFAOYSA-N 0 0 260.340 4.448 10 5 CIBERN Nc1cc2c(=O)cc(-c3ccccc3)oc2c2ccccc12 ZINC000005162588 170072434 /nfs/dbraw/zinc/07/24/34/170072434.db2.gz RXBUGFGAMQDMSO-UHFFFAOYSA-N 0 0 287.318 4.195 10 5 CIBERN Cc1cccc(NSc2ccccc2[N+](=O)[O-])c1C ZINC000005748094 170136655 /nfs/dbraw/zinc/13/66/55/170136655.db2.gz UXJMYASMEQSPHT-UHFFFAOYSA-N 0 0 274.345 4.331 10 5 CIBERN O=[N+]([O-])c1ccc2ccc3ccc(O)c4ccc1c2c34 ZINC000006094554 170175516 /nfs/dbraw/zinc/17/55/16/170175516.db2.gz RHXGKMNLLUKFLG-UHFFFAOYSA-N 0 0 263.252 4.198 10 5 CIBERN Cc1ccc(-c2csc(NCC(C)C)n2)cc1[N+](=O)[O-] ZINC000007889391 170306411 /nfs/dbraw/zinc/30/64/11/170306411.db2.gz VRWJSXSWEZHPCP-UHFFFAOYSA-N 0 0 291.376 4.095 10 5 CIBERN Cc1ccc(Sc2ccc(C=O)cc2[N+](=O)[O-])cc1C ZINC000007983439 170311778 /nfs/dbraw/zinc/31/17/78/170311778.db2.gz OVFOBBJBLMQVJM-UHFFFAOYSA-N 0 0 287.340 4.175 10 5 CIBERN O=[N+]([O-])c1ccc(NCCc2ccc(F)cc2)c(Cl)c1 ZINC000019990129 170962574 /nfs/dbraw/zinc/96/25/74/170962574.db2.gz QYJBZFABUCHPIX-UHFFFAOYSA-N 0 0 294.713 4.042 10 5 CIBERN CC(C)c1cccc(Oc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000020298705 171138335 /nfs/dbraw/zinc/13/83/35/171138335.db2.gz YHZMTOQXQCGIKB-UHFFFAOYSA-N 0 0 285.299 4.323 10 5 CIBERN Cc1cc(C)cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000020554174 171249338 /nfs/dbraw/zinc/24/93/38/171249338.db2.gz XSVUFDJJFFNGNW-ZDUSSCGKSA-N 0 0 270.332 4.385 10 5 CIBERN Cc1ccccc1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000027076370 171506721 /nfs/dbraw/zinc/50/67/21/171506721.db2.gz QUGFEESJCGYZSU-UHFFFAOYSA-N 0 0 279.299 4.195 10 5 CIBERN O=[N+]([O-])c1ccc(NCCc2cccc(F)c2)c(Cl)c1 ZINC000035137424 172004364 /nfs/dbraw/zinc/00/43/64/172004364.db2.gz PPEJQKOAZISIFI-UHFFFAOYSA-N 0 0 294.713 4.042 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1NCc1cccc(Cl)c1 ZINC000035223911 172067759 /nfs/dbraw/zinc/06/77/59/172067759.db2.gz MPKDXLFMRSXRGH-UHFFFAOYSA-N 0 0 276.723 4.169 10 5 CIBERN CSc1ccc(CNc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000035223805 172067911 /nfs/dbraw/zinc/06/79/11/172067911.db2.gz QFVDSVSDDZCQIQ-UHFFFAOYSA-N 0 0 288.372 4.237 10 5 CIBERN Cc1cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000035277357 172097285 /nfs/dbraw/zinc/09/72/85/172097285.db2.gz JVIPSOJUTSKQOH-SCDSUCTJSA-N 0 0 262.353 4.140 10 5 CIBERN Cc1ccc(Oc2ccc([C@@H](C)O)cc2[N+](=O)[O-])c(C)c1 ZINC000035632092 172314187 /nfs/dbraw/zinc/31/41/87/172314187.db2.gz JRAULHQXSKAGIB-GFCCVEGCSA-N 0 0 287.315 4.057 10 5 CIBERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000037061593 172925890 /nfs/dbraw/zinc/92/58/90/172925890.db2.gz YJBDTFMPLWNPPJ-HNNXBMFYSA-N 0 0 256.305 4.158 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1NC1[C@H](C)CCC[C@H]1C ZINC000037061712 172925954 /nfs/dbraw/zinc/92/59/54/172925954.db2.gz XTPRKEBOTYEGGU-GHMZBOCLSA-N 0 0 262.353 4.140 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C1CCCCC1 ZINC000037299768 173105748 /nfs/dbraw/zinc/10/57/48/173105748.db2.gz MPYAMHNGIBMOFJ-LBPRGKRZSA-N 0 0 262.353 4.284 10 5 CIBERN C[C@H]1CCCC[C@H]1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037404141 173180000 /nfs/dbraw/zinc/18/00/00/173180000.db2.gz KYLHPGKHKHUXKN-IINYFYTJSA-N 0 0 283.755 4.344 10 5 CIBERN Cc1cc(Oc2nc(Cl)ccc2[N+](=O)[O-])ccc1Cl ZINC000038082167 174091084 /nfs/dbraw/zinc/09/10/84/174091084.db2.gz TTWWPKULJZGEMY-UHFFFAOYSA-N 0 0 299.113 4.397 10 5 CIBERN Cc1coc2c1c(=O)oc1c2ccc2ccccc21 ZINC000040754021 174396039 /nfs/dbraw/zinc/39/60/39/174396039.db2.gz OREBRUVPHTUTTI-UHFFFAOYSA-N 0 0 250.253 4.001 10 5 CIBERN Cc1cccc([N+](=O)[O-])c1N[C@H](C)c1cccs1 ZINC000112208914 228031371 /nfs/dbraw/zinc/03/13/71/228031371.db2.gz FWDVDMWHFGEXOL-SNVBAGLBSA-N 0 0 262.334 4.138 10 5 CIBERN CCc1ccc([C@@H](C)Nc2nccc(C)c2[N+](=O)[O-])cc1 ZINC000070495956 260158133 /nfs/dbraw/zinc/15/81/33/260158133.db2.gz IYGDVNHNAPZDAD-GFCCVEGCSA-N 0 0 285.347 4.034 10 5 CIBERN CCc1cnc([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])s1 ZINC000088727955 260233790 /nfs/dbraw/zinc/23/37/90/260233790.db2.gz IYIMSBIYXBSJJP-SNVBAGLBSA-N 0 0 291.376 4.095 10 5 CIBERN Cc1cnc(N[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000090692190 260261089 /nfs/dbraw/zinc/26/10/89/260261089.db2.gz QTBGRAPJKXJREJ-SNVBAGLBSA-N 0 0 291.738 4.125 10 5 CIBERN Cc1cnc(N[C@@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000090692093 260382853 /nfs/dbraw/zinc/38/28/53/260382853.db2.gz NCWFYXCVLWIIAB-JTQLQIEISA-N 0 0 291.738 4.125 10 5 CIBERN Cc1nc(N[C@H](C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000161502617 261062081 /nfs/dbraw/zinc/06/20/81/261062081.db2.gz POCFFIFVKXXDIZ-SECBINFHSA-N 0 0 291.738 4.125 10 5 CIBERN Cc1nc(N[C@@H](C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000161502289 261062355 /nfs/dbraw/zinc/06/23/55/261062355.db2.gz VHFDXCOBRVZXQE-VIFPVBQESA-N 0 0 291.738 4.125 10 5 CIBERN Cc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000049963523 327299652 /nfs/dbraw/zinc/29/96/52/327299652.db2.gz PSGYWASRJGNDFC-JTQLQIEISA-N 0 0 294.738 4.000 10 5 CIBERN O=[N+]([O-])c1cccc(-c2cc(Br)cs2)c1 ZINC000536958858 330383810 /nfs/dbraw/zinc/38/38/10/330383810.db2.gz IROVBIHOYSEKMN-UHFFFAOYSA-N 0 0 284.134 4.086 10 5 CIBERN Cc1cccc(NCCCCC(F)(F)F)c1[N+](=O)[O-] ZINC000218870410 333137651 /nfs/dbraw/zinc/13/76/51/333137651.db2.gz IOBLKOGKQQWFLZ-UHFFFAOYSA-N 0 0 276.258 4.048 10 5 CIBERN CCOc1ccccc1[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000037058921 333468741 /nfs/dbraw/zinc/46/87/41/333468741.db2.gz XIRIHAVZDMDDGD-LBPRGKRZSA-N 0 0 286.331 4.167 10 5 CIBERN CCOc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000037061522 333468895 /nfs/dbraw/zinc/46/88/95/333468895.db2.gz SCRWNGYBGMKMSS-GFCCVEGCSA-N 0 0 286.331 4.167 10 5 CIBERN CC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCCC1 ZINC000061570443 518292373 /nfs/dbraw/zinc/29/23/73/518292373.db2.gz CZSVOAOFXSPVCA-UHFFFAOYSA-N 0 0 279.361 4.222 10 5 CIBERN CC(C)(C)[C@@H](Nc1ncccc1[N+](=O)[O-])c1cccs1 ZINC000301550201 526641070 /nfs/dbraw/zinc/64/10/70/526641070.db2.gz GNZJWBWVVGUUGV-LBPRGKRZSA-N 0 0 291.376 4.251 10 5 CIBERN Cc1c2[nH]c3ccc(O)cc3c2c(C)c2cnccc12 ZINC000013283689 560103492 /nfs/dbraw/zinc/10/34/92/560103492.db2.gz QZTWUDDGLIDXSE-UHFFFAOYSA-N 0 0 262.312 4.192 10 5 biogenic,in-vivo CIBERN O[C@@H]1c2cccc3ccc4cc5ccccc5c(c4c32)[C@@H]1O ZINC000005935142 560203804 /nfs/dbraw/zinc/20/38/04/560203804.db2.gz SGHZUKBSLLOHPU-UXHICEINSA-N 0 0 286.330 4.227 10 5 in-vitro CIBERN O=[N+]([O-])c1ccc2c3c(cccc31)-c1nc3ccccc3nc1-2 ZINC000003125015 567159710 /nfs/dbraw/zinc/15/97/10/567159710.db2.gz QJIJCJGEWPJYBS-UHFFFAOYSA-N 0 0 299.289 4.339 10 5 CIBERN NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000002583579 567848750 /nfs/dbraw/zinc/84/87/50/567848750.db2.gz ADYCKJDIWFOVAR-UHFFFAOYSA-N 0 0 287.362 4.392 10 5 in-vitro CIBERN CCCOc1ccc(-c2ccc(C[N+](C)(C)[O-])cc2)cc1 ZINC000005836593 717102739 /nfs/dbraw/zinc/10/27/39/717102739.db2.gz KASDNMAAYAMJAU-UHFFFAOYSA-N 0 0 285.387 4.217 10 5 CIBERN c1ccc(-c2ccnc3c2ccc2cccnc23)cc1 ZINC000095933415 185033733 /nfs/dbraw/zinc/03/37/33/185033733.db2.gz WQRWUSWJYHBQNF-UHFFFAOYSA-N 0 0 256.308 4.450 10 5 CIBERN C[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000226316659 136387042 /nfs/dbraw/zinc/38/70/42/136387042.db2.gz PWZOIBHKSLFDGO-QMMMGPOBSA-N 0 0 289.162 4.138 10 5 CIBERN CCCCN(c1cccc(F)c1[N+](=O)[O-])[C@H](C)CC ZINC000104160442 185914255 /nfs/dbraw/zinc/91/42/55/185914255.db2.gz IPAQXLSKTITKSF-LLVKDONJSA-N 0 0 268.332 4.139 10 5 CIBERN CCC(CC)[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000104438545 186002472 /nfs/dbraw/zinc/00/24/72/186002472.db2.gz SMLXURFOKYAARF-NSHDSACASA-N 0 0 250.342 4.140 10 5 CIBERN CC1(C)CCN(c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000090469361 134508930 /nfs/dbraw/zinc/50/89/30/134508930.db2.gz ODCHGMLTJBXCRI-UHFFFAOYSA-N 0 0 282.343 4.414 10 5 CIBERN O=[N+]([O-])c1cc2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001843073 169759181 /nfs/dbraw/zinc/75/91/81/169759181.db2.gz UGGPGFDMXNAAPV-UHFFFAOYSA-N 0 0 284.702 4.463 10 5 CIBERN c1ccc2c(c1)[nH]c1c2c2c(c3ncccc13)CCC2 ZINC000005162804 170072446 /nfs/dbraw/zinc/07/24/46/170072446.db2.gz JSXZMKNQTHRIJD-UHFFFAOYSA-N 0 0 258.324 4.358 10 5 in-vitro CIBERN CCCC[C@@H](CC)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000005591064 170116966 /nfs/dbraw/zinc/11/69/66/170116966.db2.gz PPKPXJHTPLYYSB-GFCCVEGCSA-N 0 0 278.352 4.058 10 5 CIBERN Cc1ccc(NSc2ccccc2[N+](=O)[O-])cc1C ZINC000005746967 170136104 /nfs/dbraw/zinc/13/61/04/170136104.db2.gz RANLDDYILDWZBN-UHFFFAOYSA-N 0 0 274.345 4.331 10 5 CIBERN CC(C)(C)c1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)cc1 ZINC000005904151 170153091 /nfs/dbraw/zinc/15/30/91/170153091.db2.gz HTZZVUDSZCXHLT-UHFFFAOYSA-N 0 0 286.331 4.267 10 5 CIBERN OCc1c2ccccc2nc2c3ccccc3ccc12 ZINC000005935248 170157516 /nfs/dbraw/zinc/15/75/16/170157516.db2.gz HEDQVRLHVBZVLF-UHFFFAOYSA-N 0 0 259.308 4.034 10 5 CIBERN Cc1nccc2c(C)c3[nH]c4c(cccc4O)c3cc12 ZINC000006069238 170173507 /nfs/dbraw/zinc/17/35/07/170173507.db2.gz SYZMDVNLCRXQCL-UHFFFAOYSA-N 0 0 262.312 4.192 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC1CCCCC1 ZINC000006268152 170187110 /nfs/dbraw/zinc/18/71/10/170187110.db2.gz FWBKOOREGDYFNZ-UHFFFAOYSA-N 0 0 290.363 4.202 10 5 CIBERN Cc1ccc2oc(-c3ccc([N+](=O)[O-])cc3C)nc2c1 ZINC000006521959 170209517 /nfs/dbraw/zinc/20/95/17/170209517.db2.gz LNCGXNCZKAEWEQ-UHFFFAOYSA-N 0 0 268.272 4.020 10 5 CIBERN Cc1nc2cc3nc4ccccc4cc3cc2s1 ZINC000006523592 170210075 /nfs/dbraw/zinc/21/00/75/170210075.db2.gz ICJWLVTZFNZHJD-UHFFFAOYSA-N 0 0 250.326 4.306 10 5 CIBERN O=[N+]([O-])c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000006536398 170211194 /nfs/dbraw/zinc/21/11/94/170211194.db2.gz ZSRRXNGHCTVYTG-UHFFFAOYSA-N 0 0 274.663 4.056 10 5 CIBERN O=[N+]([O-])c1ccc(-c2nc3ccccc3o2)c(Cl)c1 ZINC000006603279 170218391 /nfs/dbraw/zinc/21/83/91/170218391.db2.gz NSZQRAHYQJPKJP-UHFFFAOYSA-N 0 0 274.663 4.056 10 5 CIBERN CSc1cccc(Nc2ccccc2[N+](=O)[O-])c1 ZINC000008056172 170316549 /nfs/dbraw/zinc/31/65/49/170316549.db2.gz XXYFOTLJGLCREP-UHFFFAOYSA-N 0 0 260.318 4.060 10 5 CIBERN CCCC(CCC)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008907636 170358495 /nfs/dbraw/zinc/35/84/95/170358495.db2.gz QCZSLHPVZBGIEX-UHFFFAOYSA-N 0 0 298.770 4.403 10 5 CIBERN CC1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000020567199 171255280 /nfs/dbraw/zinc/25/52/80/171255280.db2.gz UJVAFHFPFSGCLM-UHFFFAOYSA-N 0 0 268.744 4.239 10 5 CIBERN CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000035014154 171931209 /nfs/dbraw/zinc/93/12/09/171931209.db2.gz RQNSLQBMBDGIFH-AWEZNQCLSA-N 0 0 276.361 4.466 10 5 CIBERN O=[N+]([O-])c1ccccc1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035019726 171938380 /nfs/dbraw/zinc/93/83/80/171938380.db2.gz DERVTZGJNBFLHN-MJBXVCDLSA-N 0 0 274.364 4.366 10 5 CIBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000035252192 172082280 /nfs/dbraw/zinc/08/22/80/172082280.db2.gz LCCXOEXMZSXJGQ-QMMMGPOBSA-N 0 0 282.752 4.483 10 5 CIBERN CC[C@@H](Nc1ccc(F)c([N+](=O)[O-])c1)c1cccs1 ZINC000037060580 172925051 /nfs/dbraw/zinc/92/50/51/172925051.db2.gz XRVMMMSCKMZTGA-LLVKDONJSA-N 0 0 280.324 4.359 10 5 CIBERN CCc1ccc(N[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000037104392 172957555 /nfs/dbraw/zinc/95/75/55/172957555.db2.gz LMZCHZGSASWJFN-BXUZGUMPSA-N 0 0 262.353 4.148 10 5 CIBERN Cc1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1C ZINC000038082251 174091134 /nfs/dbraw/zinc/09/11/34/174091134.db2.gz RLNVWJPEPBSCCR-UHFFFAOYSA-N 0 0 278.695 4.052 10 5 CIBERN O=c1cc(-c2ccccn2)oc2ccc3ccccc3c12 ZINC000045368814 175363649 /nfs/dbraw/zinc/36/36/49/175363649.db2.gz ZTEHSCMHCBKLIH-UHFFFAOYSA-N 0 0 273.291 4.008 10 5 CIBERN COc1cccc2nc3cc(Cl)c(Cl)cc3nc21 ZINC000072108541 176316877 /nfs/dbraw/zinc/31/68/77/176316877.db2.gz BVFHCBPUTZGVIY-UHFFFAOYSA-N 0 0 279.126 4.098 10 5 CIBERN Cc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c(C)c1 ZINC000073639266 176480605 /nfs/dbraw/zinc/48/06/05/176480605.db2.gz RORYSVYKJLLYHF-UHFFFAOYSA-N 0 0 282.299 4.328 10 5 CIBERN CCc1cc([N+](=O)[O-])cc2nc(-c3ccccc3F)oc21 ZINC000073642564 176481310 /nfs/dbraw/zinc/48/13/10/176481310.db2.gz MXHMOTRBHBABMT-UHFFFAOYSA-N 0 0 286.262 4.105 10 5 CIBERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC000094837199 262471791 /nfs/dbraw/zinc/47/17/91/262471791.db2.gz DRKQINQDAYDBTD-LLVKDONJSA-N 0 0 274.295 4.215 10 5 CIBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2cccs2)c1 ZINC000094659395 265249076 /nfs/dbraw/zinc/24/90/76/265249076.db2.gz CRUSLVABZJVLAL-SNVBAGLBSA-N 0 0 262.334 4.138 10 5 CIBERN Cc1cccc([N+](=O)[O-])c1NCCCCC(F)(F)F ZINC000128946556 327154747 /nfs/dbraw/zinc/15/47/47/327154747.db2.gz ZPWOASLLNFINGD-UHFFFAOYSA-N 0 0 276.258 4.048 10 5 CIBERN Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000047873295 327276961 /nfs/dbraw/zinc/27/69/61/327276961.db2.gz UTHRMUNEOPXCGM-NSHDSACASA-N 0 0 274.295 4.215 10 5 CIBERN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000025842212 333412717 /nfs/dbraw/zinc/41/27/17/333412717.db2.gz WKOAZQGKUWZWMF-JTQLQIEISA-N 0 0 276.723 4.421 10 5 CIBERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000037061527 333468877 /nfs/dbraw/zinc/46/88/77/333468877.db2.gz ATTXTTKRQORNMB-ZDUSSCGKSA-N 0 0 270.332 4.385 10 5 CIBERN C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1cccs1 ZINC000130356882 333839106 /nfs/dbraw/zinc/83/91/06/333839106.db2.gz CPHRQKZNSPGFDD-SNVBAGLBSA-N 0 0 299.355 4.378 10 5 CIBERN C[C@@H]1CCC[C@H](Sc2cccc(F)c2[N+](=O)[O-])C1 ZINC000054691871 524412730 /nfs/dbraw/zinc/41/27/30/524412730.db2.gz LNPLPKYROHAZEN-ZJUUUORDSA-N 0 0 269.341 4.405 10 5 CIBERN Cc1cc([C@H](C)Nc2cccc(F)c2[N+](=O)[O-])c(C)o1 ZINC000044730874 525534727 /nfs/dbraw/zinc/53/47/27/525534727.db2.gz DFRNAGGMIHGPDI-VIFPVBQESA-N 0 0 278.283 4.117 10 5 CIBERN Cc1nc(C)c([C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000040445569 526755903 /nfs/dbraw/zinc/75/59/03/526755903.db2.gz AZEOIVNUEGVMSM-JTQLQIEISA-N 0 0 291.376 4.150 10 5 CIBERN O=[N+]([O-])c1cc(COCc2cccs2)ccc1Cl ZINC000049585352 527331112 /nfs/dbraw/zinc/33/11/12/527331112.db2.gz OGOYCSQOQVTBSM-UHFFFAOYSA-N 0 0 283.736 4.027 10 5 CIBERN Nc1ccccc1SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444140 527530460 /nfs/dbraw/zinc/53/04/60/527530460.db2.gz ROMHEIMSEDVGNA-UHFFFAOYSA-N 0 0 294.763 4.123 10 5 CIBERN Cc1cc([N+](=O)[O-])cc2nc(/C=C/c3ccccc3)oc21 ZINC000226249677 567038152 /nfs/dbraw/zinc/03/81/52/567038152.db2.gz BCLJLMPXWGMBJK-BQYQJAHWSA-N 0 0 280.283 4.215 10 5 CIBERN O=[N+]([O-])c1cnc2c(Cl)cc(Cl)cc2c1Cl ZINC000165859886 567882580 /nfs/dbraw/zinc/88/25/80/567882580.db2.gz SYACPIVBCPVBFX-UHFFFAOYSA-N 0 0 277.494 4.103 10 5 CIBERN Cc1cc([N+](=O)[O-])cc2nc(-c3cccc(Cl)c3)oc21 ZINC000073639432 567893692 /nfs/dbraw/zinc/89/36/92/567893692.db2.gz IGDKEVIZUJTMQT-UHFFFAOYSA-N 0 0 288.690 4.365 10 5 CIBERN Cc1c(-c2cccc(C(C)(C)C)c2)cncc1[N+](=O)[O-] ZINC000725269013 567924142 /nfs/dbraw/zinc/92/41/42/567924142.db2.gz BNCJIVSDRVCCMG-UHFFFAOYSA-N 0 0 270.332 4.263 10 5 CIBERN C[C@@H]1CCC[C@H](C)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000226316709 136386970 /nfs/dbraw/zinc/38/69/70/136386970.db2.gz UFFZVOZVRIHSHY-AOOOYVTPSA-N 0 0 268.744 4.016 10 5 CIBERN CCCNc1ccc(CS[C@H](C)CC)cc1[N+](=O)[O-] ZINC000103980129 185874063 /nfs/dbraw/zinc/87/40/63/185874063.db2.gz MBHIIBGWGGHRFL-LLVKDONJSA-N 0 0 282.409 4.448 10 5 CIBERN CCC(CC)[C@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000104440848 186003146 /nfs/dbraw/zinc/00/31/46/186003146.db2.gz QTYSAUAJJAQUHP-VIFPVBQESA-N 0 0 270.760 4.485 10 5 CIBERN O[C@H]1C=Cc2c3ccc4cccc5ccc(cc2[C@@H]1O)c3c54 ZINC000002019693 169768316 /nfs/dbraw/zinc/76/83/16/169768316.db2.gz YDXRLMMGARHIIC-PXNSSMCTSA-N 0 0 286.330 4.005 10 5 in-man,metabolite CIBERN Brc1cnc2ccc3ccccc3c2c1 ZINC000003651865 169906161 /nfs/dbraw/zinc/90/61/61/169906161.db2.gz VPNLYKPIVSDMAS-UHFFFAOYSA-N 0 0 258.118 4.151 10 5 CIBERN CCNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005316692 170085184 /nfs/dbraw/zinc/08/51/84/170085184.db2.gz RPGPTHLUEOMMRN-UHFFFAOYSA-N 0 0 274.345 4.178 10 5 CIBERN Cc1ccc(C)c(NSc2ccccc2[N+](=O)[O-])c1 ZINC000005744933 170136269 /nfs/dbraw/zinc/13/62/69/170136269.db2.gz XLFIUONYJPGQSB-UHFFFAOYSA-N 0 0 274.345 4.331 10 5 CIBERN O=[N+]([O-])c1cc2c3c(ccc([N+](=O)[O-])c3c1)-c1ccccc1-2 ZINC000006116859 170177201 /nfs/dbraw/zinc/17/72/01/170177201.db2.gz DKHOIWAXCADMSA-UHFFFAOYSA-N 0 0 292.250 4.304 10 5 CIBERN Cc1ccc2oc(-c3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000006521943 170209258 /nfs/dbraw/zinc/20/92/58/170209258.db2.gz TVSNFAWCWZRJEU-UHFFFAOYSA-N 0 0 268.272 4.020 10 5 CIBERN CC(=O)c1ccc(Oc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000008148825 170321649 /nfs/dbraw/zinc/32/16/49/170321649.db2.gz FZVQQYMDZSRNPA-UHFFFAOYSA-N 0 0 285.299 4.207 10 5 CIBERN Cn1c2ccccc2c2c1cnc1c3ccccc3n(C)c12 ZINC000008417261 170335824 /nfs/dbraw/zinc/33/58/24/170335824.db2.gz RFIKRRONIPLNPE-UHFFFAOYSA-N 0 0 285.350 4.371 10 5 CIBERN O=[N+]([O-])c1cc(Cl)ccc1NCCc1ccccc1F ZINC000020546290 171244014 /nfs/dbraw/zinc/24/40/14/171244014.db2.gz XVVOFJBAPKUOHR-UHFFFAOYSA-N 0 0 294.713 4.042 10 5 CIBERN C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000020547114 171244693 /nfs/dbraw/zinc/24/46/93/171244693.db2.gz RHUGCKMGGZQBKU-BREBYQMCSA-N 0 0 282.771 4.485 10 5 CIBERN C[C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000021815888 171332047 /nfs/dbraw/zinc/33/20/47/171332047.db2.gz XCBRJDIACKFIGC-ONGXEEELSA-N 0 0 268.744 4.239 10 5 CIBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1c(F)cccc1F ZINC000021989542 171346221 /nfs/dbraw/zinc/34/62/21/171346221.db2.gz CDODGWNQVKLEOX-UHFFFAOYSA-N 0 0 298.676 4.139 10 5 CIBERN Cc1ccc(C)c([C@@H](C)Nc2ccccc2[N+](=O)[O-])c1 ZINC000030702606 171622126 /nfs/dbraw/zinc/62/21/26/171622126.db2.gz IYWFUUPFNZQYFN-CYBMUJFWSA-N 0 0 270.332 4.385 10 5 CIBERN CC(C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035084397 171971341 /nfs/dbraw/zinc/97/13/41/171971341.db2.gz YARZVYSUXPLQLP-QMMMGPOBSA-N 0 0 276.258 4.070 10 5 CIBERN CC1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000035084595 171972050 /nfs/dbraw/zinc/97/20/50/171972050.db2.gz PYPUPGVAJCWONT-UHFFFAOYSA-N 0 0 285.347 4.134 10 5 CIBERN Cc1ccc(NCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000035223806 172068152 /nfs/dbraw/zinc/06/81/52/172068152.db2.gz WXIYKOKFYQNQNT-UHFFFAOYSA-N 0 0 282.752 4.230 10 5 CIBERN C[C@@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000035224115 172068466 /nfs/dbraw/zinc/06/84/66/172068466.db2.gz KNWAYHLKKCQVNL-SNVBAGLBSA-N 0 0 276.723 4.421 10 5 CIBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000035252211 172082272 /nfs/dbraw/zinc/08/22/72/172082272.db2.gz AJNFWCHDYBYWNZ-MRVPVSSYSA-N 0 0 282.752 4.483 10 5 CIBERN Cc1cc(Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000035277415 172097345 /nfs/dbraw/zinc/09/73/45/172097345.db2.gz KNAULRSABZHLAE-UHFFFAOYSA-N 0 0 280.686 4.439 10 5 CIBERN Cc1cccc(Oc2ccc([C@@H](C)O)cc2[N+](=O)[O-])c1C ZINC000035632136 172314215 /nfs/dbraw/zinc/31/42/15/172314215.db2.gz PEOZYBLWJGYNKZ-GFCCVEGCSA-N 0 0 287.315 4.057 10 5 CIBERN C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000035737148 172390449 /nfs/dbraw/zinc/39/04/49/172390449.db2.gz ZURMKFVNVDMQRW-JTQLQIEISA-N 0 0 299.355 4.378 10 5 CIBERN C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000035737149 172390549 /nfs/dbraw/zinc/39/05/49/172390549.db2.gz ZURMKFVNVDMQRW-SNVBAGLBSA-N 0 0 299.355 4.378 10 5 CIBERN CC[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000037059000 172924427 /nfs/dbraw/zinc/92/44/27/172924427.db2.gz VYERKMOGLAULPK-ZDUSSCGKSA-N 0 0 256.305 4.158 10 5 CIBERN O=[N+]([O-])c1ccc(NC2CCCCC2)c(Br)c1 ZINC000037131256 172974786 /nfs/dbraw/zinc/97/47/86/172974786.db2.gz CNVMBFPQYKWVIS-UHFFFAOYSA-N 0 0 299.168 4.102 10 5 CIBERN CCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000037329490 173130413 /nfs/dbraw/zinc/13/04/13/173130413.db2.gz VFBYRSIZKGPTHF-MRVPVSSYSA-N 0 0 276.258 4.214 10 5 CIBERN Cc1ccc(N[C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000071271189 176104283 /nfs/dbraw/zinc/10/42/83/176104283.db2.gz MOMOWLFLTKWRAT-LLVKDONJSA-N 0 0 276.361 4.008 10 5 CIBERN Cc1ccc([N+](=O)[O-])cc1N[C@@H](C)Cc1cccs1 ZINC000071271153 176104294 /nfs/dbraw/zinc/10/42/94/176104294.db2.gz QJOMPFUGMQHILG-NSHDSACASA-N 0 0 276.361 4.008 10 5 CIBERN O=[N+]([O-])c1ccc(F)cc1-c1nc2ccccc2s1 ZINC000071317879 176122256 /nfs/dbraw/zinc/12/22/56/176122256.db2.gz PUDWACYAXVIXIX-UHFFFAOYSA-N 0 0 274.276 4.011 10 5 CIBERN Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1Cl ZINC000073642119 176481735 /nfs/dbraw/zinc/48/17/35/176481735.db2.gz HZFAGSJNJXGBST-UHFFFAOYSA-N 0 0 288.690 4.365 10 5 CIBERN CCc1sc([C@H](C)Nc2ncccc2[N+](=O)[O-])cc1C ZINC000301768737 227671839 /nfs/dbraw/zinc/67/18/39/227671839.db2.gz IZFQIQKHVNNIQT-JTQLQIEISA-N 0 0 291.376 4.095 10 5 CIBERN C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000214728034 260044540 /nfs/dbraw/zinc/04/45/40/260044540.db2.gz GLCRYSNANXNHNK-SNVBAGLBSA-N 0 0 299.355 4.378 10 5 CIBERN Cc1ccnc(N[C@@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000070495986 260158127 /nfs/dbraw/zinc/15/81/27/260158127.db2.gz IULBOJROOFBAOH-JTQLQIEISA-N 0 0 291.738 4.125 10 5 CIBERN Cc1cc(N[C@@H](C)c2cccs2)c(F)cc1[N+](=O)[O-] ZINC000311753197 260258262 /nfs/dbraw/zinc/25/82/62/260258262.db2.gz DLGAKVBNCJHCRE-VIFPVBQESA-N 0 0 280.324 4.277 10 5 CIBERN O=[N+]([O-])c1cc(F)c(NCCCCC(F)(F)F)c(F)c1 ZINC000131534556 260406992 /nfs/dbraw/zinc/40/69/92/260406992.db2.gz DEXCYQQRDXBKPS-UHFFFAOYSA-N 0 0 298.211 4.018 10 5 CIBERN CCc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000161503563 261062657 /nfs/dbraw/zinc/06/26/57/261062657.db2.gz WNTVWEIZUHGSCO-NSHDSACASA-N 0 0 285.347 4.034 10 5 CIBERN C[C@@H](NCc1ccsc1Cl)c1ccccc1[N+](=O)[O-] ZINC000312767440 326964988 /nfs/dbraw/zinc/96/49/88/326964988.db2.gz TXTOWTRUDOYYGR-SECBINFHSA-N 0 0 296.779 4.161 10 5 CIBERN O=[N+]([O-])c1ccccc1-c1c(F)cccc1Br ZINC000536957517 330383385 /nfs/dbraw/zinc/38/33/85/330383385.db2.gz GPDSGGPVCGENDZ-UHFFFAOYSA-N 0 0 296.095 4.163 10 5 CIBERN CCC1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227649787 333287302 /nfs/dbraw/zinc/28/73/02/333287302.db2.gz LZUMJRSBJCQIPO-UHFFFAOYSA-N 0 0 283.759 4.024 10 5 CIBERN COc1cccc(N[C@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000134912697 334108073 /nfs/dbraw/zinc/10/80/73/334108073.db2.gz VEEWRHRPDFRGLC-GFCCVEGCSA-N 0 0 286.331 4.085 10 5 CIBERN CCc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000134927440 334108603 /nfs/dbraw/zinc/10/86/03/334108603.db2.gz AOZSERMOADJMMT-SNVBAGLBSA-N 0 0 291.376 4.095 10 5 CIBERN CC[C@H](Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000054085487 522772803 /nfs/dbraw/zinc/77/28/03/522772803.db2.gz QKGVVORBAHIFBL-NSHDSACASA-N 0 0 260.293 4.059 10 5 CIBERN C[C@H]1CCC[C@H](Sc2cccc(F)c2[N+](=O)[O-])C1 ZINC000054691873 524211318 /nfs/dbraw/zinc/21/13/18/524211318.db2.gz LNPLPKYROHAZEN-UWVGGRQHSA-N 0 0 269.341 4.405 10 5 CIBERN Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c(Cl)c1 ZINC000226247027 567038799 /nfs/dbraw/zinc/03/87/99/567038799.db2.gz AVRONGQSYHAXLZ-UHFFFAOYSA-N 0 0 288.690 4.365 10 5 CIBERN Cc1c(Cl)cc2ncc([N+](=O)[O-])c(Cl)c2c1Cl ZINC000584882177 567860029 /nfs/dbraw/zinc/86/00/29/567860029.db2.gz RTEPSCMXSPNQLP-UHFFFAOYSA-N 0 0 291.521 4.412 10 5 CIBERN Cc1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1C ZINC000073640022 567893239 /nfs/dbraw/zinc/89/32/39/567893239.db2.gz JNNUYNYXYZDUQN-UHFFFAOYSA-N 0 0 268.272 4.020 10 5 CIBERN Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c(C)c1 ZINC000073642157 567893686 /nfs/dbraw/zinc/89/36/86/567893686.db2.gz DDSNHNKHOHINCR-UHFFFAOYSA-N 0 0 268.272 4.020 10 5 CIBERN O=[N+]([O-])c1ccc(-c2cccc3occc32)cc1F ZINC000725263292 567922872 /nfs/dbraw/zinc/92/28/72/567922872.db2.gz GGSDSRSGJNAOQO-UHFFFAOYSA-N 0 0 257.220 4.147 10 5 CIBERN CC(=O)c1cc([N+](=O)[O-])c(Sc2ccccc2)s1 ZINC000095577831 185011474 /nfs/dbraw/zinc/01/14/74/185011474.db2.gz WZNUDHSRSDPPHZ-UHFFFAOYSA-N 0 0 279.342 4.010 10 5 CIBERN CC(C)(C)CCNc1cc([N+](=O)[O-])ccc1Cl ZINC000083417674 178425534 /nfs/dbraw/zinc/42/55/34/178425534.db2.gz KNLTVNMXNLITKH-UHFFFAOYSA-N 0 0 256.733 4.096 10 5 CIBERN CCc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](C)C1 ZINC000226315630 136387119 /nfs/dbraw/zinc/38/71/19/136387119.db2.gz VWJXOZBFUMKQSW-SNVBAGLBSA-N 0 0 282.771 4.047 10 5 CIBERN CCc1cc([N+](=O)[O-])cc(Cl)c1N1CCCC[C@@H]1C ZINC000226315338 136387174 /nfs/dbraw/zinc/38/71/74/136387174.db2.gz GSMQVUDZBLEYML-JTQLQIEISA-N 0 0 282.771 4.189 10 5 CIBERN CCCC(CCC)Nc1ccc([N+](=O)[O-])cc1F ZINC000103971632 185871784 /nfs/dbraw/zinc/87/17/84/185871784.db2.gz ZHYVRPNVSCBTAJ-UHFFFAOYSA-N 0 0 254.305 4.115 10 5 CIBERN C[C@@H]1CCC[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000104169919 185916439 /nfs/dbraw/zinc/91/64/39/185916439.db2.gz YHQSYSSHWKOZFL-NXEZZACHSA-N 0 0 268.744 4.239 10 5 CIBERN Cc1ccc(NCCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000104177417 185917382 /nfs/dbraw/zinc/91/73/82/185917382.db2.gz BZCORZKMIMVFFS-UHFFFAOYSA-N 0 0 260.337 4.206 10 5 CIBERN Cc1ccc2oc(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000006216600 184532770 /nfs/dbraw/zinc/53/27/70/184532770.db2.gz NPSPCEHZORKLNN-UHFFFAOYSA-N 0 0 288.690 4.365 10 5 CIBERN [O-][N+]1(C2(c3ccccc3)CCCCC2)CCCCC1 ZINC000006095987 170176201 /nfs/dbraw/zinc/17/62/01/170176201.db2.gz ROAZSLOYIWKKKL-UHFFFAOYSA-N 0 0 259.393 4.345 10 5 CIBERN Cc1ccc(-c2csc(NC(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000007889394 170306548 /nfs/dbraw/zinc/30/65/48/170306548.db2.gz DPDCLVZGVUBHAT-UHFFFAOYSA-N 0 0 291.376 4.237 10 5 CIBERN CC(=O)c1ccc(Oc2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000007983245 170311667 /nfs/dbraw/zinc/31/16/67/170311667.db2.gz LESYVJQJOHATMJ-UHFFFAOYSA-N 0 0 285.299 4.207 10 5 CIBERN CC(C)c1ccc(Oc2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC000020298759 171138362 /nfs/dbraw/zinc/13/83/62/171138362.db2.gz OTPPOOARZNMHDK-UHFFFAOYSA-N 0 0 285.299 4.323 10 5 CIBERN CC1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000021518409 171314368 /nfs/dbraw/zinc/31/43/68/171314368.db2.gz RPPFTXGLTBZWBC-UHFFFAOYSA-N 0 0 268.744 4.239 10 5 CIBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000035017995 171935313 /nfs/dbraw/zinc/93/53/13/171935313.db2.gz AWTYVKPGRLPCAU-SNVBAGLBSA-N 0 0 299.355 4.378 10 5 CIBERN C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000035135098 172002056 /nfs/dbraw/zinc/00/20/56/172002056.db2.gz IVAVLTHRNBWBQY-MRVPVSSYSA-N 0 0 266.684 4.014 10 5 CIBERN C[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000035223756 172067972 /nfs/dbraw/zinc/06/79/72/172067972.db2.gz YGUOCEOWEOBPPC-SNVBAGLBSA-N 0 0 276.723 4.421 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccc(F)cc1 ZINC000035223932 172068049 /nfs/dbraw/zinc/06/80/49/172068049.db2.gz UKJQJMDKSCXWRD-NSHDSACASA-N 0 0 274.295 4.215 10 5 CIBERN Cc1ccc(Oc2ccc([C@@H](C)O)cc2[N+](=O)[O-])cc1C ZINC000035632242 172315094 /nfs/dbraw/zinc/31/50/94/172315094.db2.gz ZZLQUYBLVJRMIQ-GFCCVEGCSA-N 0 0 287.315 4.057 10 5 CIBERN CC[C@H](C[C@@H](C)CC)Nc1cc([N+](=O)[O-])ccc1F ZINC000037060425 172924843 /nfs/dbraw/zinc/92/48/43/172924843.db2.gz XOGPUQYLOPZVKG-WDEREUQCSA-N 0 0 268.332 4.361 10 5 CIBERN CCC[C@@H](C)CNc1cc([N+](=O)[O-])ccc1Cl ZINC000037059884 172924984 /nfs/dbraw/zinc/92/49/84/172924984.db2.gz MCJFHWSRTYWQKI-SECBINFHSA-N 0 0 256.733 4.096 10 5 CIBERN C[C@H](Nc1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000037299239 173104188 /nfs/dbraw/zinc/10/41/88/173104188.db2.gz SAVCLXDGOPGWFW-JTQLQIEISA-N 0 0 266.316 4.115 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C1CCCCC1 ZINC000037299770 173105339 /nfs/dbraw/zinc/10/53/39/173105339.db2.gz MPYAMHNGIBMOFJ-GFCCVEGCSA-N 0 0 262.353 4.284 10 5 CIBERN CCC[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000037329492 173130701 /nfs/dbraw/zinc/13/07/01/173130701.db2.gz VFBYRSIZKGPTHF-QMMMGPOBSA-N 0 0 276.258 4.214 10 5 CIBERN O=[N+]([O-])c1ccc(Cl)c(COc2cccc(Cl)c2)c1 ZINC000037404034 173180319 /nfs/dbraw/zinc/18/03/19/173180319.db2.gz GXBZHZCXAPVQAK-UHFFFAOYSA-N 0 0 298.125 4.481 10 5 CIBERN CCCC(=O)Nc1cc(C)nc2c3ccccc3ccc12 ZINC000040384400 174251379 /nfs/dbraw/zinc/25/13/79/174251379.db2.gz ABIZDXLLTDIPEF-UHFFFAOYSA-N 0 0 278.355 4.435 10 5 CIBERN COc1ccc(Oc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 ZINC000044699404 175235516 /nfs/dbraw/zinc/23/55/16/175235516.db2.gz GTQINDYWEMGIER-UHFFFAOYSA-N 0 0 293.706 4.358 10 5 in-vitro CIBERN O=[N+]([O-])c1ccccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000070275661 260155144 /nfs/dbraw/zinc/15/51/44/260155144.db2.gz PTZIKDSBKQWZJF-UWVGGRQHSA-N 0 0 288.269 4.128 10 5 CIBERN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1cccc(Cl)c1 ZINC000052812515 261142777 /nfs/dbraw/zinc/14/27/77/261142777.db2.gz OVRFOTTYCCAERO-SNVBAGLBSA-N 0 0 291.738 4.125 10 5 CIBERN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1ccccc1Cl ZINC000052812700 261142951 /nfs/dbraw/zinc/14/29/51/261142951.db2.gz QKCVZGRKMRSETJ-SNVBAGLBSA-N 0 0 291.738 4.125 10 5 CIBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000111049510 328324284 /nfs/dbraw/zinc/32/42/84/328324284.db2.gz JYJHPFRBAHFBKZ-CQSZACIVSA-N 0 0 286.331 4.167 10 5 CIBERN C[C@@H](Nc1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000050351945 328398190 /nfs/dbraw/zinc/39/81/90/328398190.db2.gz HYLBVMCHGMSOFN-MRVPVSSYSA-N 0 0 282.752 4.483 10 5 CIBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000047873278 327277119 /nfs/dbraw/zinc/27/71/19/327277119.db2.gz ZFFMZZADSDTOBM-MRVPVSSYSA-N 0 0 296.248 4.185 10 5 CIBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000043569999 328804955 /nfs/dbraw/zinc/80/49/55/328804955.db2.gz GUKPHIDHDXKYMP-HNNXBMFYSA-N 0 0 270.332 4.466 10 5 CIBERN C[C@H]1C[C@H](c2cc([N+](=O)[O-])ccc2N)CC(C)(C)C1 ZINC000536950125 330382180 /nfs/dbraw/zinc/38/21/80/330382180.db2.gz LRZLMSJNTGOYDW-QWRGUYRKSA-N 0 0 262.353 4.107 10 5 CIBERN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc2ccccc2c1 ZINC000195505940 331175642 /nfs/dbraw/zinc/17/56/42/331175642.db2.gz SWBUCPVBZFFSJG-SNVBAGLBSA-N 0 0 299.355 4.378 10 5 CIBERN Cc1cccc(N[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000218821501 333136681 /nfs/dbraw/zinc/13/66/81/333136681.db2.gz FBOKHXWZILMOQN-GFCCVEGCSA-N 0 0 256.305 4.076 10 5 CIBERN Cc1ccc([C@H](C)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000037058925 333468719 /nfs/dbraw/zinc/46/87/19/333468719.db2.gz XQIFPUQVNFDWSM-ZDUSSCGKSA-N 0 0 270.332 4.385 10 5 CIBERN C[C@@H](Nc1c(Cl)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000383445973 336109295 /nfs/dbraw/zinc/10/92/95/336109295.db2.gz ALDRRXKVAPZJQV-SECBINFHSA-N 0 0 292.722 4.127 10 5 CIBERN O[C@@H]1C=Cc2c3ccc4cccc5ccc(cc2[C@@H]1O)c3c54 ZINC000002019691 534407746 /nfs/dbraw/zinc/40/77/46/534407746.db2.gz YDXRLMMGARHIIC-XLIONFOSSA-N 0 0 286.330 4.005 10 5 in-man,metabolite CIBERN Clc1ccc2nc3ccc(Br)cc3nc2c1 ZINC000072206781 526969377 /nfs/dbraw/zinc/96/93/77/526969377.db2.gz NPMUEYRUIHFBMY-UHFFFAOYSA-N 0 0 293.551 4.199 10 5 CIBERN Cc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000226249746 567039332 /nfs/dbraw/zinc/03/93/32/567039332.db2.gz QUTVGPYBAFARNQ-RMKNXTFCSA-N 0 0 280.283 4.215 10 5 CIBERN O=[N+]([O-])c1cnc2cc(Cl)cc(Cl)c2c1Cl ZINC000165860280 567882260 /nfs/dbraw/zinc/88/22/60/567882260.db2.gz VOUHKBYHGSVEEL-UHFFFAOYSA-N 0 0 277.494 4.103 10 5 CIBERN O=[N+]([O-])c1cnc2c(Cl)ccc(Cl)c2c1Cl ZINC000165861039 567882481 /nfs/dbraw/zinc/88/24/81/567882481.db2.gz RDPLFRWCHOFJJW-UHFFFAOYSA-N 0 0 277.494 4.103 10 5 CIBERN O=[N+]([O-])c1ccc(-c2c(F)cccc2Br)cc1 ZINC000536959796 570239527 /nfs/dbraw/zinc/23/95/27/570239527.db2.gz URTULZRLHBSVOH-UHFFFAOYSA-N 0 0 296.095 4.163 10 5 CIBERN C[C@H]1CCC[C@H](C)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000226316716 136386857 /nfs/dbraw/zinc/38/68/57/136386857.db2.gz UFFZVOZVRIHSHY-UWVGGRQHSA-N 0 0 268.744 4.016 10 5 CIBERN CCc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](C)C1 ZINC000226315637 136387166 /nfs/dbraw/zinc/38/71/66/136387166.db2.gz VWJXOZBFUMKQSW-JTQLQIEISA-N 0 0 282.771 4.047 10 5 CIBERN CCCCC[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000104154554 185912831 /nfs/dbraw/zinc/91/28/31/185912831.db2.gz QTQYIHDNPRQBDS-JTQLQIEISA-N 0 0 254.305 4.115 10 5 CIBERN O=[N+]([O-])c1ccc(NCCC2CCCCC2)c(F)c1 ZINC000104174987 185916944 /nfs/dbraw/zinc/91/69/44/185916944.db2.gz PUHKOPLIVGLSFY-UHFFFAOYSA-N 0 0 266.316 4.116 10 5 CIBERN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccnc(Cl)c1 ZINC000104261498 185946769 /nfs/dbraw/zinc/94/67/69/185946769.db2.gz WDUYULNFYGWOHA-UHFFFAOYSA-N 0 0 285.086 4.089 10 5 CIBERN CCC1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110381515 186294942 /nfs/dbraw/zinc/29/49/42/186294942.db2.gz JJHJCVNHTDXAOP-UHFFFAOYSA-N 0 0 262.353 4.223 10 5 CIBERN Cc1ccc2c(c1)nc1c3ccccc3ccc1c2CO ZINC000005160959 170072303 /nfs/dbraw/zinc/07/23/03/170072303.db2.gz KQJATOLRXGASOI-UHFFFAOYSA-N 0 0 273.335 4.342 10 5 CIBERN O[C@@H]1c2cccc3ccc4c5ccccc5cc(c4c32)[C@@H]1O ZINC000005935124 170157534 /nfs/dbraw/zinc/15/75/34/170157534.db2.gz OYOQHRXJXXTZII-UXHICEINSA-N 0 0 286.330 4.227 10 5 in-vitro CIBERN Nc1cc(Oc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000005936401 170158636 /nfs/dbraw/zinc/15/86/36/170158636.db2.gz DGKJBBHYOUHIHS-UHFFFAOYSA-N 0 0 299.113 4.276 10 5 CIBERN O=[N+]([O-])c1cc(O)c2ccc3cccc4ccc1c2c34 ZINC000006094592 170175831 /nfs/dbraw/zinc/17/58/31/170175831.db2.gz BOQCPFGCIYLAGN-UHFFFAOYSA-N 0 0 263.252 4.198 10 5 CIBERN O=[N+]([O-])c1ccccc1Oc1ccccc1Br ZINC000008064058 170317030 /nfs/dbraw/zinc/31/70/30/170317030.db2.gz GIHFWWDTUKZFJB-UHFFFAOYSA-N 0 0 294.104 4.150 10 5 CIBERN Nc1cc(Cl)ccc1SCc1ccc([N+](=O)[O-])cc1 ZINC000019815404 170881031 /nfs/dbraw/zinc/88/10/31/170881031.db2.gz XMRIQSSBMQRVLP-UHFFFAOYSA-N 0 0 294.763 4.123 10 5 CIBERN CC(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000020368592 171167216 /nfs/dbraw/zinc/16/72/16/171167216.db2.gz PMAJNMUUVJVZAS-UHFFFAOYSA-N 0 0 285.299 4.323 10 5 CIBERN C[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020548867 171245859 /nfs/dbraw/zinc/24/58/59/171245859.db2.gz QPRWSRMPSYIPRI-CABZTGNLSA-N 0 0 268.744 4.239 10 5 CIBERN O=[N+]([O-])c1cc(Cl)ccc1NCCc1ccc(F)cc1 ZINC000020566615 171254880 /nfs/dbraw/zinc/25/48/80/171254880.db2.gz LFAXMQFMAUUWIY-UHFFFAOYSA-N 0 0 294.713 4.042 10 5 CIBERN C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000035127940 171997613 /nfs/dbraw/zinc/99/76/13/171997613.db2.gz SEJYIPGTDLZPSS-QMMMGPOBSA-N 0 0 282.752 4.483 10 5 CIBERN Cc1ccc(N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000035223808 172068083 /nfs/dbraw/zinc/06/80/83/172068083.db2.gz GSTUEIZTRBLBQE-LBPRGKRZSA-N 0 0 256.305 4.076 10 5 CIBERN C[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000035223754 172068304 /nfs/dbraw/zinc/06/83/04/172068304.db2.gz YGUOCEOWEOBPPC-JTQLQIEISA-N 0 0 276.723 4.421 10 5 CIBERN Cc1cc(C)cc(Oc2ccc([C@@H](C)O)cc2[N+](=O)[O-])c1 ZINC000035632252 172314875 /nfs/dbraw/zinc/31/48/75/172314875.db2.gz ISXZMKWXHKSALM-GFCCVEGCSA-N 0 0 287.315 4.057 10 5 CIBERN CCC[C@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000036971343 172838797 /nfs/dbraw/zinc/83/87/97/172838797.db2.gz YGSPTJRMUOIGEK-VIFPVBQESA-N 0 0 256.733 4.096 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1Nc1ccc(F)c(Cl)c1 ZINC000037371700 173160646 /nfs/dbraw/zinc/16/06/46/173160646.db2.gz NCUXNYFZUULNQI-UHFFFAOYSA-N 0 0 280.686 4.439 10 5 CIBERN C[C@@H]1CCCC[C@@H]1OCc1cc([N+](=O)[O-])ccc1Cl ZINC000037404126 173179979 /nfs/dbraw/zinc/17/99/79/173179979.db2.gz WWCXDWGEEMRPFF-YGRLFVJLSA-N 0 0 283.755 4.344 10 5 CIBERN CCCC(=O)Nc1ccnc2c3ccccc3ccc12 ZINC000040384254 174251492 /nfs/dbraw/zinc/25/14/92/174251492.db2.gz FFBBPAVLYSJMLX-UHFFFAOYSA-N 0 0 264.328 4.127 10 5 CIBERN COc1ccc(-c2cc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000045392344 175375391 /nfs/dbraw/zinc/37/53/91/175375391.db2.gz VQULQDZDUNUYEF-UHFFFAOYSA-N 0 0 285.324 4.485 10 5 CIBERN O=[N+]([O-])c1ccc(F)cc1N1CCC[C@H]1c1ccccc1 ZINC000302859996 227893670 /nfs/dbraw/zinc/89/36/70/227893670.db2.gz OOIXGTUFHAVIRH-AWEZNQCLSA-N 0 0 286.306 4.075 10 5 CIBERN Cc1nc(N[C@H](C)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000092963778 327104224 /nfs/dbraw/zinc/10/42/24/327104224.db2.gz DSKRBPKUZBLVIP-MRVPVSSYSA-N 0 0 297.767 4.186 10 5 CIBERN C[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000037562555 333534978 /nfs/dbraw/zinc/53/49/78/333534978.db2.gz RNBNCMFNZIKNJA-SECBINFHSA-N 0 0 296.779 4.161 10 5 CIBERN Cc1cc(N[C@H](C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000042246503 525301206 /nfs/dbraw/zinc/30/12/06/525301206.db2.gz YCVXHRQKYHDQSI-SNVBAGLBSA-N 0 0 292.285 4.355 10 5 CIBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1ccc(Cl)s1 ZINC000052812629 525577970 /nfs/dbraw/zinc/57/79/70/525577970.db2.gz NADALRHFMFWFBS-QMMMGPOBSA-N 0 0 297.767 4.186 10 5 CIBERN O[C@@H]1c2cccc3ccc4cc5ccccc5c(c4c32)[C@H]1O ZINC000005935143 560203830 /nfs/dbraw/zinc/20/38/30/560203830.db2.gz SGHZUKBSLLOHPU-WOJBJXKFSA-N 0 0 286.330 4.227 10 5 in-vitro CIBERN Cc1c(Cl)cccc1-c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000226248278 567039245 /nfs/dbraw/zinc/03/92/45/567039245.db2.gz KDRQWPBAKQYTEB-UHFFFAOYSA-N 0 0 288.690 4.365 10 5 CIBERN CC[C@H](C)c1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000098061818 567907558 /nfs/dbraw/zinc/90/75/58/567907558.db2.gz SDYGAHAYHKBWTN-QMMMGPOBSA-N 0 0 264.712 4.310 10 5 CIBERN CCc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](C)C[C@H](C)C1 ZINC000226315607 136387063 /nfs/dbraw/zinc/38/70/63/136387063.db2.gz JTYIWCRRRNIBEA-PHIMTYICSA-N 0 0 296.798 4.293 10 5 CIBERN O=[N+]([O-])c1ccc(Nc2ccc(F)c(Cl)c2)cc1 ZINC000020298821 256777194 /nfs/dbraw/zinc/77/71/94/256777194.db2.gz VPZPPPICEDAJQG-UHFFFAOYSA-N 0 0 266.659 4.131 10 5 CIBERN Cc1cc(C)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000005749514 170136500 /nfs/dbraw/zinc/13/65/00/170136500.db2.gz MZTSWZJMUFSANO-UHFFFAOYSA-N 0 0 298.342 4.081 10 5 CIBERN O=[N+]([O-])c1cc2cccc3c2c(c1[N+](=O)[O-])-c1ccccc1-3 ZINC000006116864 170177172 /nfs/dbraw/zinc/17/71/72/170177172.db2.gz ZVFDFXXVLYCTIA-UHFFFAOYSA-N 0 0 292.250 4.304 10 5 CIBERN COc1ccc(Nc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000020302752 171139516 /nfs/dbraw/zinc/13/95/16/171139516.db2.gz BCFYMUSGYUZMJM-UHFFFAOYSA-N 0 0 296.685 4.140 10 5 CIBERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020547115 171244625 /nfs/dbraw/zinc/24/46/25/171244625.db2.gz RHUGCKMGGZQBKU-CWSCBRNRSA-N 0 0 282.771 4.485 10 5 CIBERN Cc1cc(C)cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000020554172 171249094 /nfs/dbraw/zinc/24/90/94/171249094.db2.gz XSVUFDJJFFNGNW-CYBMUJFWSA-N 0 0 270.332 4.385 10 5 CIBERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000020669723 171269483 /nfs/dbraw/zinc/26/94/83/171269483.db2.gz SEBFKQNIIPYUPO-SECBINFHSA-N 0 0 280.711 4.323 10 5 CIBERN C[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000021815886 171332055 /nfs/dbraw/zinc/33/20/55/171332055.db2.gz XCBRJDIACKFIGC-KOLCDFICSA-N 0 0 268.744 4.239 10 5 CIBERN Cc1onc(/C=C/c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000021959141 171342135 /nfs/dbraw/zinc/34/21/35/171342135.db2.gz WXQOWJBXKPUWPZ-AATRIKPKSA-N 0 0 298.220 4.080 10 5 CIBERN C[C@H](Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000035017986 171935473 /nfs/dbraw/zinc/93/54/73/171935473.db2.gz UFKGLPGWDMFOBV-JTQLQIEISA-N 0 0 299.355 4.378 10 5 CIBERN O=[N+]([O-])c1cc(Cl)ccc1NCCc1cccc(F)c1 ZINC000035137407 172004994 /nfs/dbraw/zinc/00/49/94/172004994.db2.gz UYXWVGJGPRLPRC-UHFFFAOYSA-N 0 0 294.713 4.042 10 5 CIBERN O=[N+]([O-])c1ccc(CNc2ccc3sccc3c2)cc1 ZINC000035229689 172069937 /nfs/dbraw/zinc/06/99/37/172069937.db2.gz GZHYFWKJWLYFQY-UHFFFAOYSA-N 0 0 284.340 4.422 10 5 CIBERN C[C@H](O)c1ccccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000035650589 172326800 /nfs/dbraw/zinc/32/68/00/172326800.db2.gz RWNGNHXMWLEGKD-VIFPVBQESA-N 0 0 293.706 4.094 10 5 CIBERN Cc1ccc(NC2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000037059136 172924684 /nfs/dbraw/zinc/92/46/84/172924684.db2.gz WNIFAJVMBHLIGI-ODOQXGPZSA-N 0 0 262.353 4.140 10 5 CIBERN Cc1cccc(CNc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000037059963 172925277 /nfs/dbraw/zinc/92/52/77/172925277.db2.gz FMYJYIFPIJUTHT-UHFFFAOYSA-N 0 0 276.723 4.169 10 5 CIBERN O=[N+]([O-])c1ccc(NCC2CCCCC2)c(Cl)c1 ZINC000037247315 173060488 /nfs/dbraw/zinc/06/04/88/173060488.db2.gz YNERJCPDJOYFHC-UHFFFAOYSA-N 0 0 268.744 4.240 10 5 CIBERN CC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000037975324 173929858 /nfs/dbraw/zinc/92/98/58/173929858.db2.gz HSWPLTWOQMCVFA-UHFFFAOYSA-N 0 0 291.690 4.243 10 5 CIBERN CCc1cc2c(cccc2[N+](=O)[O-])n1Cc1ccccc1 ZINC000039002325 174161262 /nfs/dbraw/zinc/16/12/62/174161262.db2.gz MYOVFHCVPQPDII-UHFFFAOYSA-N 0 0 280.327 4.160 10 5 CIBERN Cc1ccc([N+](=O)[O-])cc1N[C@H](C)Cc1cccs1 ZINC000071271155 176104167 /nfs/dbraw/zinc/10/41/67/176104167.db2.gz QJOMPFUGMQHILG-LLVKDONJSA-N 0 0 276.361 4.008 10 5 CIBERN Cc1ccc(C)c(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c1 ZINC000073639807 176480931 /nfs/dbraw/zinc/48/09/31/176480931.db2.gz WEDWKVWNZATFPT-UHFFFAOYSA-N 0 0 282.299 4.328 10 5 CIBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000070275673 260155313 /nfs/dbraw/zinc/15/53/13/260155313.db2.gz KMEDRHBCKGDCTD-KOLCDFICSA-N 0 0 288.269 4.128 10 5 CIBERN Cc1cc(N[C@@H](C)c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000092026976 260267037 /nfs/dbraw/zinc/26/70/37/260267037.db2.gz MNZAGMPNMMDCIL-JTQLQIEISA-N 0 0 291.738 4.125 10 5 CIBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1ccccc1Cl ZINC000052812699 261142789 /nfs/dbraw/zinc/14/27/89/261142789.db2.gz QKCVZGRKMRSETJ-JTQLQIEISA-N 0 0 291.738 4.125 10 5 CIBERN CCc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C)cc1 ZINC000052812457 261142809 /nfs/dbraw/zinc/14/28/09/261142809.db2.gz MXLLCEVYIVFGIP-LBPRGKRZSA-N 0 0 285.347 4.034 10 5 CIBERN CC[C@H](Nc1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000090147048 327031376 /nfs/dbraw/zinc/03/13/76/327031376.db2.gz KUWAIEWVDIWIDD-ZDUSSCGKSA-N 0 0 291.738 4.206 10 5 CIBERN O=[N+]([O-])c1ccc(N[C@H]2CCCc3ccccc32)c(F)c1 ZINC000047873263 327216333 /nfs/dbraw/zinc/21/63/33/327216333.db2.gz XZJBLLATNXOQTG-HNNXBMFYSA-N 0 0 286.306 4.223 10 5 CIBERN COc1ccccc1[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000157392309 330775102 /nfs/dbraw/zinc/77/51/02/330775102.db2.gz DAZZLJIWVXYUQZ-LBPRGKRZSA-N 0 0 286.331 4.085 10 5 CIBERN Cc1ccc([C@H](C)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000037058981 333468750 /nfs/dbraw/zinc/46/87/50/333468750.db2.gz LCTJJDFRQSYNFE-ZDUSSCGKSA-N 0 0 270.332 4.385 10 5 CIBERN Cc1ccc([C@@H](C)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000037058924 333468817 /nfs/dbraw/zinc/46/88/17/333468817.db2.gz XQIFPUQVNFDWSM-CYBMUJFWSA-N 0 0 270.332 4.385 10 5 CIBERN Cc1ccc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2F)o1 ZINC000380579328 336001332 /nfs/dbraw/zinc/00/13/32/336001332.db2.gz VNLZHLOCNXBRGJ-JTQLQIEISA-N 0 0 278.283 4.117 10 5 CIBERN CCCNc1ccc([N+](=O)[O-])cc1CSCCC ZINC000050833774 520172515 /nfs/dbraw/zinc/17/25/15/520172515.db2.gz KBMHOWNVGMZZQL-UHFFFAOYSA-N 0 0 268.382 4.060 10 5 CIBERN O=[N+]([O-])c1ccc(-n2c3ccccc3c3ccncc32)cc1 ZINC000002387201 560186990 /nfs/dbraw/zinc/18/69/90/560186990.db2.gz XJFIJMUNORMRCD-UHFFFAOYSA-N 0 0 289.294 4.087 10 5 in-vitro CIBERN O=[N+]([O-])c1cnc2c(Cl)c(Cl)ccc2c1Cl ZINC000165870265 567882270 /nfs/dbraw/zinc/88/22/70/567882270.db2.gz BCPCWHNQBVDCSG-UHFFFAOYSA-N 0 0 277.494 4.103 10 5 CIBERN Cc1cc(C)cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 ZINC000073640019 567893257 /nfs/dbraw/zinc/89/32/57/567893257.db2.gz VFGCKPYOMHXLPD-UHFFFAOYSA-N 0 0 268.272 4.020 10 5 CIBERN CCc1cc([N+](=O)[O-])cc2nc(-c3ccc(F)cc3)oc21 ZINC000073642582 567893474 /nfs/dbraw/zinc/89/34/74/567893474.db2.gz UQVURHFHTQZUOM-UHFFFAOYSA-N 0 0 286.262 4.105 10 5 CIBERN O=[N+]([O-])c1cnc2c(-c3ccccc3)cccc2c1Cl ZINC000098061887 567907596 /nfs/dbraw/zinc/90/75/96/567907596.db2.gz NTKLNMLIDMSFLS-UHFFFAOYSA-N 0 0 284.702 4.463 10 5 CIBERN Cc1ccc(-c2ccc([C@@H]3CCO3)cc2)cc1[N+](=O)[O-] ZINC000725265306 567923147 /nfs/dbraw/zinc/92/31/47/567923147.db2.gz ZCEWQWBUODZWHQ-INIZCTEOSA-N 0 0 269.300 4.032 10 5 CIBERN NC(=O)c1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c21 ZINC000095830399 185029035 /nfs/dbraw/zinc/02/90/35/185029035.db2.gz TYOZSHGHKLYXOR-UHFFFAOYSA-N 0 0 299.333 4.055 10 5 CIBERN CCc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](C)C[C@@H](C)C1 ZINC000226315613 136386997 /nfs/dbraw/zinc/38/69/97/136386997.db2.gz JTYIWCRRRNIBEA-GHMZBOCLSA-N 0 0 296.798 4.293 10 5 CIBERN Cc1cc(C)c(Oc2ccnc(Cl)c2)c([N+](=O)[O-])c1 ZINC000104273782 185951849 /nfs/dbraw/zinc/95/18/49/185951849.db2.gz VAOSCYNFVFYFJK-UHFFFAOYSA-N 0 0 278.695 4.052 10 5 CIBERN CSc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000148956489 532961472 /nfs/dbraw/zinc/96/14/72/532961472.db2.gz CUOZXNZOUWEKSM-UHFFFAOYSA-N 0 0 292.335 4.068 10 5 CIBERN CC(C)(C)Nc1cc([N+](=O)[O-])cc(NC(C)(C)C)c1N=O ZINC000005249992 170079306 /nfs/dbraw/zinc/07/93/06/170079306.db2.gz RPODWVZAOAOXHQ-UHFFFAOYSA-N 0 0 294.355 4.414 10 5 CIBERN CCCC[C@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005467496 170102169 /nfs/dbraw/zinc/10/21/69/170102169.db2.gz JYBSCJZUZMKUBB-JTQLQIEISA-N 0 0 298.770 4.403 10 5 CIBERN O=[N+]([O-])c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000005569147 170114587 /nfs/dbraw/zinc/11/45/87/170114587.db2.gz BZRKTCTVXNLZPL-UHFFFAOYSA-N 0 0 274.663 4.056 10 5 CIBERN O=[N+]([O-])c1ccc2ccc3cccc4cc(O)c1c2c34 ZINC000006094835 170175821 /nfs/dbraw/zinc/17/58/21/170175821.db2.gz ISTXQGWVNRUWBU-UHFFFAOYSA-N 0 0 263.252 4.198 10 5 CIBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000007907879 170307360 /nfs/dbraw/zinc/30/73/60/170307360.db2.gz KUCLNYDYOYGODC-MRVPVSSYSA-N 0 0 266.684 4.014 10 5 CIBERN O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 ZINC000008189242 170323410 /nfs/dbraw/zinc/32/34/10/170323410.db2.gz OABWAVIDSYFKAW-UHFFFAOYSA-N 0 0 274.663 4.056 10 5 CIBERN Cc1cc(C)c(C)c(Oc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000020368612 171167052 /nfs/dbraw/zinc/16/70/52/171167052.db2.gz IBFSOCBAEXMIDC-UHFFFAOYSA-N 0 0 285.299 4.125 10 5 CIBERN C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000020547112 171244386 /nfs/dbraw/zinc/24/43/86/171244386.db2.gz RHUGCKMGGZQBKU-GIPNMCIBSA-N 0 0 282.771 4.485 10 5 CIBERN C[C@@H](Nc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000021013824 171288802 /nfs/dbraw/zinc/28/88/02/171288802.db2.gz JJFJKUZIBWMERS-SNVBAGLBSA-N 0 0 276.723 4.421 10 5 CIBERN C[C@@H]1CCCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000021815889 171332115 /nfs/dbraw/zinc/33/21/15/171332115.db2.gz XCBRJDIACKFIGC-MWLCHTKSSA-N 0 0 268.744 4.239 10 5 CIBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000023990922 171429058 /nfs/dbraw/zinc/42/90/58/171429058.db2.gz UJLMPQAHVORGCG-SNVBAGLBSA-N 0 0 276.723 4.421 10 5 CIBERN Cc1cc(Nc2ccccc2)nc2c1cccc2[N+](=O)[O-] ZINC000032270652 171723351 /nfs/dbraw/zinc/72/33/51/171723351.db2.gz VSEFQEHQTXKYAQ-UHFFFAOYSA-N 0 0 279.299 4.195 10 5 CIBERN Cc1ccc(N[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000035223831 172068192 /nfs/dbraw/zinc/06/81/92/172068192.db2.gz LCYUHJRZXYGDDN-NSHDSACASA-N 0 0 274.295 4.215 10 5 CIBERN CCC(CC)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000036971479 172838744 /nfs/dbraw/zinc/83/87/44/172838744.db2.gz KQVMXYCOQFGBTA-UHFFFAOYSA-N 0 0 256.733 4.096 10 5 CIBERN C[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000037251532 173063706 /nfs/dbraw/zinc/06/37/06/173063706.db2.gz UEXQMCBSHONSEY-MWLCHTKSSA-N 0 0 268.744 4.239 10 5 CIBERN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000037281037 173088900 /nfs/dbraw/zinc/08/89/00/173088900.db2.gz XZOQRHNSMPCEFT-JTQLQIEISA-N 0 0 266.316 4.115 10 5 CIBERN C[C@@H]1CCCC[C@@H]1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037404135 173180019 /nfs/dbraw/zinc/18/00/19/173180019.db2.gz KYLHPGKHKHUXKN-YGRLFVJLSA-N 0 0 283.755 4.344 10 5 CIBERN C[C@@H]1CCCC[C@H]1OCc1cc([N+](=O)[O-])ccc1Cl ZINC000037404130 173180276 /nfs/dbraw/zinc/18/02/76/173180276.db2.gz WWCXDWGEEMRPFF-QMTHXVAHSA-N 0 0 283.755 4.344 10 5 CIBERN Cc1ccc(C)c(Oc2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC000038082278 174091350 /nfs/dbraw/zinc/09/13/50/174091350.db2.gz LLXDEGPDPXTYIP-UHFFFAOYSA-N 0 0 278.695 4.052 10 5 CIBERN CCCCCCNc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000075824451 176798815 /nfs/dbraw/zinc/79/88/15/176798815.db2.gz LBGLWESIGVWEHF-UHFFFAOYSA-N 0 0 256.733 4.240 10 5 CIBERN CCOC(=O)CCc1c2ccccc2cc2ccccc21 ZINC000077271712 177247047 /nfs/dbraw/zinc/24/70/47/177247047.db2.gz VZVCKDRAXQXTTN-UHFFFAOYSA-N 0 0 278.351 4.489 10 5 in-vitro CIBERN CCc1ccc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC000092026824 260267290 /nfs/dbraw/zinc/26/72/90/260267290.db2.gz FXXKYWVFLJQYAA-GFCCVEGCSA-N 0 0 285.347 4.034 10 5 CIBERN C[C@H](Nc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000132506067 260500353 /nfs/dbraw/zinc/50/03/53/260500353.db2.gz IASWGQZUCJHYAB-QMMMGPOBSA-N 0 0 296.248 4.185 10 5 CIBERN C[C@@H]([NH2+]CCC1=CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526126 262245303 /nfs/dbraw/zinc/24/53/03/262245303.db2.gz YCZQBAJZCBKJKS-CYBMUJFWSA-N 0 0 274.364 4.136 10 5 CIBERN CC(=O)c1ccc(Oc2ccc(C)cc2[N+](=O)[O-])c(F)c1 ZINC000041078718 328026517 /nfs/dbraw/zinc/02/65/17/328026517.db2.gz PMIRTNOTELMJMU-UHFFFAOYSA-N 0 0 289.262 4.037 10 5 CIBERN COc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000042246275 328762849 /nfs/dbraw/zinc/76/28/49/328762849.db2.gz FARYAWZVCUCPKV-GFCCVEGCSA-N 0 0 286.331 4.085 10 5 CIBERN O=[N+]([O-])c1cccc(-c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000536956812 330383248 /nfs/dbraw/zinc/38/32/48/330383248.db2.gz AKUXGGYWCJLYIR-UHFFFAOYSA-N 0 0 285.196 4.420 10 5 CIBERN CCc1cnc([C@H](C)Nc2cccc(C)c2[N+](=O)[O-])s1 ZINC000218865732 333137732 /nfs/dbraw/zinc/13/77/32/333137732.db2.gz HEEDICMVRHOORQ-JTQLQIEISA-N 0 0 291.376 4.095 10 5 CIBERN CCOc1ccccc1[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000037058920 333468769 /nfs/dbraw/zinc/46/87/69/333468769.db2.gz XIRIHAVZDMDDGD-GFCCVEGCSA-N 0 0 286.331 4.167 10 5 CIBERN C[C@@H]1CCC[C@@H](Sc2cccc(F)c2[N+](=O)[O-])C1 ZINC000054691875 524320312 /nfs/dbraw/zinc/32/03/12/524320312.db2.gz LNPLPKYROHAZEN-NXEZZACHSA-N 0 0 269.341 4.405 10 5 CIBERN Nc1cc([N+](=O)[O-])ccc1Nc1cc(Cl)ccc1Cl ZINC000052840275 527461194 /nfs/dbraw/zinc/46/11/94/527461194.db2.gz FQXFABGXIHIYSX-UHFFFAOYSA-N 0 0 298.129 4.227 10 5 CIBERN CCc1cc([N+](=O)[O-])cc2nc(-c3cccc(F)c3)oc21 ZINC000073642573 567893681 /nfs/dbraw/zinc/89/36/81/567893681.db2.gz JFLZLPYATKIXIB-UHFFFAOYSA-N 0 0 286.262 4.105 10 5 CIBERN O=[N+]([O-])c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000073642845 567893709 /nfs/dbraw/zinc/89/37/09/567893709.db2.gz HMFFTQLVWHBEJV-UHFFFAOYSA-N 0 0 274.663 4.056 10 5 CIBERN O=[N+]([O-])c1ccc(-c2ccc3sccc3c2)cc1 ZINC000725263621 567923075 /nfs/dbraw/zinc/92/30/75/567923075.db2.gz WQCNBFQMEHJDQT-UHFFFAOYSA-N 0 0 255.298 4.477 10 5 CIBERN O=[N+]([O-])c1cnc2ccc(C3CCC3)cc2c1Cl ZINC000584882205 570229405 /nfs/dbraw/zinc/22/94/05/570229405.db2.gz UOUDMVNTMBYAPZ-UHFFFAOYSA-N 0 0 262.696 4.064 10 5 CIBERN Cc1cnc(N[C@H](C)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000090692154 260260992 /nfs/dbraw/zinc/26/09/92/260260992.db2.gz DJGCYVPBLFNZHK-MRVPVSSYSA-N 0 0 297.767 4.186 10 5 CIBERN CCC(CC)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000104215302 185933755 /nfs/dbraw/zinc/93/37/55/185933755.db2.gz MWCKMKXEEIWASS-UHFFFAOYSA-N 0 0 258.268 4.133 10 5 CIBERN Cc1ccc([C@@H](O)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000226294297 189772009 /nfs/dbraw/zinc/77/20/09/189772009.db2.gz DMDLOOTXVZXIHT-GOSISDBHSA-N 0 0 293.322 4.138 10 5 CIBERN Cc1cc(=O)oc2cc3oc4ccccc4c3cc12 ZINC000006069630 170173820 /nfs/dbraw/zinc/17/38/20/170173820.db2.gz MOTTUNALIBKKNF-UHFFFAOYSA-N 0 0 250.253 4.001 10 5 in-vivo CIBERN O=[N+]([O-])c1ccc2cc(-c3ccccc3)cc(O)c2c1 ZINC000006116694 170176958 /nfs/dbraw/zinc/17/69/58/170176958.db2.gz VJQHQIRKHZXMQF-UHFFFAOYSA-N 0 0 265.268 4.121 10 5 CIBERN Cn1c2ccccc2c2c1cnc1c3ccccc3[nH]c12 ZINC000008417258 170335535 /nfs/dbraw/zinc/33/55/35/170335535.db2.gz ZNRYJFXFMBVHEQ-UHFFFAOYSA-N 0 0 271.323 4.361 10 5 CIBERN C[C@H](Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000020358666 171157244 /nfs/dbraw/zinc/15/72/44/171157244.db2.gz XWCJLXIUSCESEF-VIFPVBQESA-N 0 0 278.258 4.046 10 5 CIBERN CC(C)c1cccc(Oc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000020368595 171166950 /nfs/dbraw/zinc/16/69/50/171166950.db2.gz AUUHAQJGPVLNBJ-UHFFFAOYSA-N 0 0 285.299 4.323 10 5 CIBERN C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020548868 171245904 /nfs/dbraw/zinc/24/59/04/171245904.db2.gz QPRWSRMPSYIPRI-BXKDBHETSA-N 0 0 268.744 4.239 10 5 CIBERN COc1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000021805107 171327023 /nfs/dbraw/zinc/32/70/23/171327023.db2.gz UMOMQMGWLQLKGH-UHFFFAOYSA-N 0 0 278.352 4.128 10 5 CIBERN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000025280410 171452784 /nfs/dbraw/zinc/45/27/84/171452784.db2.gz YIMQROXZKZNJBZ-QMMMGPOBSA-N 0 0 296.248 4.185 10 5 CIBERN O=[N+]([O-])c1ccc(Cc2ccc3ccccc3c2O)cc1 ZINC000027195886 171510377 /nfs/dbraw/zinc/51/03/77/171510377.db2.gz FZMRNPMIXZXLKA-UHFFFAOYSA-N 0 0 279.295 4.044 10 5 CIBERN CCn1c2cc(O)ccc2c2ccc3cc(O)ccc3c21 ZINC000027301489 171512286 /nfs/dbraw/zinc/51/22/86/171512286.db2.gz WPOYJXXCZYZJOM-UHFFFAOYSA-N 0 0 277.323 4.379 10 5 CIBERN O=[N+]([O-])c1ccc(NCCCc2ccccc2)c(Cl)c1 ZINC000034979484 171912018 /nfs/dbraw/zinc/91/20/18/171912018.db2.gz COFWLFWOYWUAEN-UHFFFAOYSA-N 0 0 290.750 4.293 10 5 CIBERN Cc1ccc([N+](=O)[O-])cc1N[C@H](C)c1ccc(F)cc1 ZINC000035014229 171931160 /nfs/dbraw/zinc/93/11/60/171931160.db2.gz IGJGQJXTCWLOEC-LLVKDONJSA-N 0 0 274.295 4.215 10 5 CIBERN O=[N+]([O-])c1ccc(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000035019737 171938491 /nfs/dbraw/zinc/93/84/91/171938491.db2.gz VGSXGMDVQFWQBK-NFAWXSAZSA-N 0 0 274.364 4.366 10 5 CIBERN Cc1ccc(N[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000035223833 172067900 /nfs/dbraw/zinc/06/79/00/172067900.db2.gz LCYUHJRZXYGDDN-LLVKDONJSA-N 0 0 274.295 4.215 10 5 CIBERN Cc1ccc(N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000035223810 172068140 /nfs/dbraw/zinc/06/81/40/172068140.db2.gz GSTUEIZTRBLBQE-GFCCVEGCSA-N 0 0 256.305 4.076 10 5 CIBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000035252194 172082070 /nfs/dbraw/zinc/08/20/70/172082070.db2.gz LCCXOEXMZSXJGQ-MRVPVSSYSA-N 0 0 282.752 4.483 10 5 CIBERN Cc1nc2cc(NCc3ccccc3)c([N+](=O)[O-])cc2s1 ZINC000035342527 172134530 /nfs/dbraw/zinc/13/45/30/172134530.db2.gz OVHHFODGYHBDCR-UHFFFAOYSA-N 0 0 299.355 4.125 10 5 CIBERN C[C@H]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000037251530 173063869 /nfs/dbraw/zinc/06/38/69/173063869.db2.gz UEXQMCBSHONSEY-ONGXEEELSA-N 0 0 268.744 4.239 10 5 CIBERN Cc1ncsc1[C@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037281664 173090271 /nfs/dbraw/zinc/09/02/71/173090271.db2.gz UONBPCNMORAWAO-QMMMGPOBSA-N 0 0 297.767 4.186 10 5 CIBERN O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(Cl)cc1 ZINC000037331691 173132848 /nfs/dbraw/zinc/13/28/48/173132848.db2.gz RORIMCAWIPIESN-UHFFFAOYSA-N 0 0 284.102 4.040 10 5 CIBERN Nc1ccc(Cl)c(Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000038033822 174031637 /nfs/dbraw/zinc/03/16/37/174031637.db2.gz CTRGYBQOEABGSA-UHFFFAOYSA-N 0 0 298.129 4.227 10 5 CIBERN Cc1ccc(Oc2nc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000038082280 174091214 /nfs/dbraw/zinc/09/12/14/174091214.db2.gz JBYCWQLLFHRSKV-UHFFFAOYSA-N 0 0 278.695 4.052 10 5 CIBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccc(Cl)cc1 ZINC000038082276 174091244 /nfs/dbraw/zinc/09/12/44/174091244.db2.gz CIBCWKUOIXBDFU-UHFFFAOYSA-N 0 0 285.086 4.089 10 5 CIBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccccc1Cl ZINC000038082274 174091323 /nfs/dbraw/zinc/09/13/23/174091323.db2.gz JKIBCPZFLDMDLM-UHFFFAOYSA-N 0 0 285.086 4.089 10 5 CIBERN O=[N+]([O-])c1cc(F)c(Cl)cc1-c1ccsc1 ZINC000079064549 177425196 /nfs/dbraw/zinc/42/51/96/177425196.db2.gz YYDZUJVDRBDMNL-UHFFFAOYSA-N 0 0 257.673 4.116 10 5 CIBERN O=[N+]([O-])c1ccccc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000070275664 260155154 /nfs/dbraw/zinc/15/51/54/260155154.db2.gz PTZIKDSBKQWZJF-NXEZZACHSA-N 0 0 288.269 4.128 10 5 CIBERN Cc1cc(N[C@@H](C)c2ccc(Cl)s2)ncc1[N+](=O)[O-] ZINC000081275240 260182011 /nfs/dbraw/zinc/18/20/11/260182011.db2.gz WHNLJAKEEAYIEU-QMMMGPOBSA-N 0 0 297.767 4.186 10 5 CIBERN CCc1cnc([C@H](C)Nc2cc(C)ccc2[N+](=O)[O-])s1 ZINC000088727956 260233828 /nfs/dbraw/zinc/23/38/28/260233828.db2.gz IYIMSBIYXBSJJP-JTQLQIEISA-N 0 0 291.376 4.095 10 5 CIBERN Cc1cc([C@H](C)Nc2cc(F)ccc2[N+](=O)[O-])c(C)o1 ZINC000052120680 261062867 /nfs/dbraw/zinc/06/28/67/261062867.db2.gz XOXDQQWPIYQAMN-VIFPVBQESA-N 0 0 278.283 4.117 10 5 CIBERN CC[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000148512697 262748548 /nfs/dbraw/zinc/74/85/48/262748548.db2.gz LGYVZQJHFCMNML-LBPRGKRZSA-N 0 0 291.738 4.206 10 5 CIBERN C[C@@H]1C[C@@H](c2cc([N+](=O)[O-])ccc2N)CC(C)(C)C1 ZINC000536950119 330382088 /nfs/dbraw/zinc/38/20/88/330382088.db2.gz LRZLMSJNTGOYDW-GHMZBOCLSA-N 0 0 262.353 4.107 10 5 CIBERN C[C@H]1C[C@@H](c2cc([N+](=O)[O-])ccc2N)CC(C)(C)C1 ZINC000536950126 330382136 /nfs/dbraw/zinc/38/21/36/330382136.db2.gz LRZLMSJNTGOYDW-WDEREUQCSA-N 0 0 262.353 4.107 10 5 CIBERN COc1ccccc1[C@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000037059754 333468727 /nfs/dbraw/zinc/46/87/27/333468727.db2.gz RWQMFRUWLGNKPJ-LBPRGKRZSA-N 0 0 286.331 4.085 10 5 CIBERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000037061576 333468882 /nfs/dbraw/zinc/46/88/82/333468882.db2.gz HIGUDQFKPWOOCH-CYBMUJFWSA-N 0 0 270.332 4.385 10 5 CIBERN Cc1ccc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cc2F)o1 ZINC000380579330 336001412 /nfs/dbraw/zinc/00/14/12/336001412.db2.gz VNLZHLOCNXBRGJ-SNVBAGLBSA-N 0 0 278.283 4.117 10 5 CIBERN CC(C)(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1 ZINC000052840298 519037560 /nfs/dbraw/zinc/03/75/60/519037560.db2.gz NPUGMNCSZJHBPW-UHFFFAOYSA-N 0 0 285.347 4.218 10 5 CIBERN CCNc1ccc([N+](=O)[O-])cc1CSC(C)(C)C ZINC000050833702 520330074 /nfs/dbraw/zinc/33/00/74/520330074.db2.gz BBGPEHZIIRTQEI-UHFFFAOYSA-N 0 0 268.382 4.058 10 5 CIBERN CC[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000049531274 522772898 /nfs/dbraw/zinc/77/28/98/522772898.db2.gz HMCVWDVSSNKMIH-JTQLQIEISA-N 0 0 280.324 4.359 10 5 CIBERN Cc1cc(N[C@H](C)c2cccs2)c([N+](=O)[O-])cc1C ZINC000050439302 525300462 /nfs/dbraw/zinc/30/04/62/525300462.db2.gz NQPYRULNNPXHER-LLVKDONJSA-N 0 0 276.361 4.446 10 5 CIBERN CC(C)Cc1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000095944426 185036892 /nfs/dbraw/zinc/03/68/92/185036892.db2.gz WSZBBVRIPZGOFX-UHFFFAOYSA-N 0 0 292.560 4.209 10 5 CIBERN CC(C)(C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000083417662 178425372 /nfs/dbraw/zinc/42/53/72/178425372.db2.gz NPYSXUYABRGWBX-UHFFFAOYSA-N 0 0 256.733 4.096 10 5 CIBERN CC(C)(C)CCNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000083417664 178425389 /nfs/dbraw/zinc/42/53/89/178425389.db2.gz OZARWHDWVPZIED-UHFFFAOYSA-N 0 0 256.733 4.096 10 5 CIBERN Nc1cc(Oc2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1 ZINC000005936392 170158488 /nfs/dbraw/zinc/15/84/88/170158488.db2.gz KNPYNYPFXSWIMG-UHFFFAOYSA-N 0 0 299.113 4.276 10 5 CIBERN Cc1ccc(Cl)c(Oc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000007982804 170311791 /nfs/dbraw/zinc/31/17/91/170311791.db2.gz DOIANZNBLPQUAE-UHFFFAOYSA-N 0 0 291.690 4.161 10 5 CIBERN CCc1ccccc1Oc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000008148843 170321533 /nfs/dbraw/zinc/32/15/33/170321533.db2.gz JALYSRSXKRFQBV-UHFFFAOYSA-N 0 0 285.299 4.152 10 5 CIBERN O=[N+]([O-])c1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1 ZINC000008436409 170336405 /nfs/dbraw/zinc/33/64/05/170336405.db2.gz HCXXFZJPPXKKJJ-UHFFFAOYSA-N 0 0 297.339 4.110 10 5 CIBERN C[C@@H](Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000020091350 170990286 /nfs/dbraw/zinc/99/02/86/170990286.db2.gz ZZQSYIFABGTPDE-SECBINFHSA-N 0 0 278.258 4.046 10 5 CIBERN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CCC[C@@H]1C ZINC000020547113 171244469 /nfs/dbraw/zinc/24/44/69/171244469.db2.gz RHUGCKMGGZQBKU-OPQQBVKSSA-N 0 0 282.771 4.485 10 5 CIBERN Cc1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000021511323 171310682 /nfs/dbraw/zinc/31/06/82/171310682.db2.gz XCONGCKGSIOCCS-ZDUSSCGKSA-N 0 0 270.332 4.385 10 5 CIBERN C[C@H](CCc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000034979446 171912352 /nfs/dbraw/zinc/91/23/52/171912352.db2.gz JEPHRUPKANEKEJ-GFCCVEGCSA-N 0 0 288.322 4.167 10 5 CIBERN O=[N+]([O-])c1cccc(Nc2ccc(F)c(Cl)c2)c1 ZINC000035081307 171966748 /nfs/dbraw/zinc/96/67/48/171966748.db2.gz MXRQHIZGCBJJNI-UHFFFAOYSA-N 0 0 266.659 4.131 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccc(F)cc1 ZINC000035223934 172068258 /nfs/dbraw/zinc/06/82/58/172068258.db2.gz UKJQJMDKSCXWRD-LLVKDONJSA-N 0 0 274.295 4.215 10 5 CIBERN C[C@@H](Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000035224031 172068779 /nfs/dbraw/zinc/06/87/79/172068779.db2.gz CSPDKLXYFSZEBH-SECBINFHSA-N 0 0 278.258 4.046 10 5 CIBERN CCC(CC)Nc1cc2nc(C)sc2cc1[N+](=O)[O-] ZINC000035342510 172134759 /nfs/dbraw/zinc/13/47/59/172134759.db2.gz HTYUKCVLOWYALA-UHFFFAOYSA-N 0 0 279.365 4.113 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)c1cccs1 ZINC000035737157 172390719 /nfs/dbraw/zinc/39/07/19/172390719.db2.gz TXFGGLGLNJUCIE-SNVBAGLBSA-N 0 0 262.334 4.138 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1cccs1 ZINC000035737156 172390839 /nfs/dbraw/zinc/39/08/39/172390839.db2.gz TXFGGLGLNJUCIE-JTQLQIEISA-N 0 0 262.334 4.138 10 5 CIBERN CCC(CC)CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037060953 172924841 /nfs/dbraw/zinc/92/48/41/172924841.db2.gz LBFFLXRLEFTWLG-UHFFFAOYSA-N 0 0 256.733 4.096 10 5 CIBERN CCC1CCC(Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000037061205 172925173 /nfs/dbraw/zinc/92/51/73/172925173.db2.gz YIRLBWBKEMSFMV-UHFFFAOYSA-N 0 0 262.353 4.284 10 5 CIBERN Cc1ccc([N+](=O)[O-])cc1N[C@H](C)C1CCCCC1 ZINC000037298760 173103103 /nfs/dbraw/zinc/10/31/03/173103103.db2.gz VOCJDBCNGSOQEN-GFCCVEGCSA-N 0 0 262.353 4.284 10 5 CIBERN Cc1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000037401056 173178230 /nfs/dbraw/zinc/17/82/30/173178230.db2.gz DNKFUDIYPNXIJY-UHFFFAOYSA-N 0 0 262.353 4.428 10 5 CIBERN Cc1ccc(Cl)c(Oc2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC000038082403 174091094 /nfs/dbraw/zinc/09/10/94/174091094.db2.gz QMTBVLLDGCDYEZ-UHFFFAOYSA-N 0 0 299.113 4.397 10 5 CIBERN Cc1cc(C)cc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC000038082282 174091325 /nfs/dbraw/zinc/09/13/25/174091325.db2.gz PSVUBWKUGPJBEZ-UHFFFAOYSA-N 0 0 278.695 4.052 10 5 CIBERN O=[N+]([O-])c1ccc(Nc2ccnc3c(F)cccc23)cc1 ZINC000039963687 174179741 /nfs/dbraw/zinc/17/97/41/174179741.db2.gz COABMVDWTPMIFV-UHFFFAOYSA-N 0 0 283.262 4.026 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)Cc1cccs1 ZINC000071271320 176104478 /nfs/dbraw/zinc/10/44/78/176104478.db2.gz WSZANNFEKBAPOI-LLVKDONJSA-N 0 0 276.361 4.008 10 5 CIBERN Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1Cl ZINC000073640070 176480870 /nfs/dbraw/zinc/48/08/70/176480870.db2.gz ASXXLWXYARBIND-UHFFFAOYSA-N 0 0 288.690 4.365 10 5 CIBERN Cc1ccc(NCc2cccc(NC(C)C)c2)c([N+](=O)[O-])c1 ZINC000301823281 227691865 /nfs/dbraw/zinc/69/18/65/227691865.db2.gz NCQBRHNCVQRTTJ-UHFFFAOYSA-N 0 0 299.374 4.336 10 5 CIBERN Cc1cc(N[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000035737152 228055096 /nfs/dbraw/zinc/05/50/96/228055096.db2.gz DRGPTKYSIGJXEP-JTQLQIEISA-N 0 0 262.334 4.138 10 5 CIBERN O=[N+]([O-])c1ccccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000070275659 260155333 /nfs/dbraw/zinc/15/53/33/260155333.db2.gz PTZIKDSBKQWZJF-VHSXEESVSA-N 0 0 288.269 4.128 10 5 CIBERN CCc1ccc([C@H](C)Nc2nccc(C)c2[N+](=O)[O-])cc1 ZINC000070495957 260158139 /nfs/dbraw/zinc/15/81/39/260158139.db2.gz IYGDVNHNAPZDAD-LBPRGKRZSA-N 0 0 285.347 4.034 10 5 CIBERN Cc1ccnc(N[C@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000070495987 260158148 /nfs/dbraw/zinc/15/81/48/260158148.db2.gz IULBOJROOFBAOH-SNVBAGLBSA-N 0 0 291.738 4.125 10 5 CIBERN Cc1ccnc(N[C@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000070496131 260158173 /nfs/dbraw/zinc/15/81/73/260158173.db2.gz AHDLFISHYYDRTN-SNVBAGLBSA-N 0 0 291.738 4.125 10 5 CIBERN CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000301638527 261338844 /nfs/dbraw/zinc/33/88/44/261338844.db2.gz FVVLDGXZLCUTPQ-OAHLLOKOSA-N 0 0 298.342 4.309 10 5 CIBERN O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCCc2sccc21 ZINC000061364125 262396198 /nfs/dbraw/zinc/39/61/98/262396198.db2.gz QSGJAZMUOQPARK-NSHDSACASA-N 0 0 292.335 4.285 10 5 CIBERN Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000048335010 328053041 /nfs/dbraw/zinc/05/30/41/328053041.db2.gz VEOLHRRGTGWOOK-ZDUSSCGKSA-N 0 0 270.332 4.385 10 5 CIBERN Cc1nc(N[C@@H](C)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000092977241 327104248 /nfs/dbraw/zinc/10/42/48/327104248.db2.gz DSKRBPKUZBLVIP-QMMMGPOBSA-N 0 0 297.767 4.186 10 5 CIBERN Cc1ccc(NCCCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000128950674 327154801 /nfs/dbraw/zinc/15/48/01/327154801.db2.gz UJAQYJMPSXSRBJ-UHFFFAOYSA-N 0 0 276.258 4.048 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1NCCCCC(F)(F)F ZINC000128944696 327154978 /nfs/dbraw/zinc/15/49/78/327154978.db2.gz KVXZZJRTAKUKAJ-UHFFFAOYSA-N 0 0 276.258 4.048 10 5 CIBERN CCc1cnc([C@@H](C)Nc2cccc(C)c2[N+](=O)[O-])s1 ZINC000218865677 333137673 /nfs/dbraw/zinc/13/76/73/333137673.db2.gz HEEDICMVRHOORQ-SNVBAGLBSA-N 0 0 291.376 4.095 10 5 CIBERN CC[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000036967119 333444784 /nfs/dbraw/zinc/44/47/84/333444784.db2.gz RNPBGYYJOLZEJP-CYBMUJFWSA-N 0 0 274.295 4.297 10 5 CIBERN C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000037562554 333534940 /nfs/dbraw/zinc/53/49/40/333534940.db2.gz RNBNCMFNZIKNJA-VIFPVBQESA-N 0 0 296.779 4.161 10 5 CIBERN CCc1cnc([C@@H](C)Nc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000134928658 334108635 /nfs/dbraw/zinc/10/86/35/334108635.db2.gz XAOVUCHDZOXFAP-SNVBAGLBSA-N 0 0 291.376 4.095 10 5 CIBERN O=[N+]([O-])c1ccc(Cl)c(COCc2cccs2)c1 ZINC000049585353 527355316 /nfs/dbraw/zinc/35/53/16/527355316.db2.gz UNJGLYJNUYGPNI-UHFFFAOYSA-N 0 0 283.736 4.027 10 5 CIBERN C[N+](C)([O-])CCC=C1c2ccccc2C=Cc2ccccc21 ZINC000575627182 717184264 /nfs/dbraw/zinc/18/42/64/717184264.db2.gz JQLVQENQLDVWDM-UHFFFAOYSA-N 0 0 292.402 4.458 10 5 CIBERN CCC(CC)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000104438542 186002671 /nfs/dbraw/zinc/00/26/71/186002671.db2.gz SMLXURFOKYAARF-LLVKDONJSA-N 0 0 250.342 4.140 10 5 CIBERN O=[N+]([O-])c1ccc2oc(-c3ccc(F)cc3)cc2c1 ZINC000197115866 189682922 /nfs/dbraw/zinc/68/29/22/189682922.db2.gz NUQIHXMPROSGRN-UHFFFAOYSA-N 0 0 257.220 4.147 10 5 CIBERN O=[N+]([O-])c1ccc(Nc2cccc3ccccc32)cc1 ZINC000004773723 170014792 /nfs/dbraw/zinc/01/47/92/170014792.db2.gz PXFHOLDWAULBMQ-UHFFFAOYSA-N 0 0 264.284 4.492 10 5 CIBERN Cc1ccc2c(c1)c(C)c1c3ccccc3nc-1n2C ZINC000005160909 170072247 /nfs/dbraw/zinc/07/22/47/170072247.db2.gz LAJWMOLAZMNLMV-UHFFFAOYSA-N 0 0 260.340 4.448 10 5 CIBERN CCCC[C@H](CC)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000005591129 170116982 /nfs/dbraw/zinc/11/69/82/170116982.db2.gz PPKPXJHTPLYYSB-LBPRGKRZSA-N 0 0 278.352 4.058 10 5 CIBERN O=[N+]([O-])c1ccc2ccc3c(O)ccc4ccc1c2c43 ZINC000006094292 170175541 /nfs/dbraw/zinc/17/55/41/170175541.db2.gz MAVZUIFIVMZYMX-UHFFFAOYSA-N 0 0 263.252 4.198 10 5 CIBERN O=c1cc(-c2ccccc2)oc2c1ccc1ccc(O)cc12 ZINC000006116655 170177468 /nfs/dbraw/zinc/17/74/68/170177468.db2.gz PODSTHAFQFMETD-UHFFFAOYSA-N 0 0 288.302 4.319 10 5 CIBERN CC(=O)c1ccc(Oc2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000008063813 170316936 /nfs/dbraw/zinc/31/69/36/170316936.db2.gz CQTGWOASGGFYHE-UHFFFAOYSA-N 0 0 285.299 4.207 10 5 CIBERN C[C@H](Nc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000020088243 170988801 /nfs/dbraw/zinc/98/88/01/170988801.db2.gz MERUBYHNHNEZQP-VIFPVBQESA-N 0 0 278.258 4.046 10 5 CIBERN C[C@@H](Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000020358665 171157265 /nfs/dbraw/zinc/15/72/65/171157265.db2.gz XWCJLXIUSCESEF-SECBINFHSA-N 0 0 278.258 4.046 10 5 CIBERN Cc1cc(C)c(C)c(Oc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000020368614 171167111 /nfs/dbraw/zinc/16/71/11/171167111.db2.gz IVRNYXDYLBVKDP-UHFFFAOYSA-N 0 0 285.299 4.125 10 5 CIBERN Cc1ccccc1[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000022089378 171352640 /nfs/dbraw/zinc/35/26/40/171352640.db2.gz IRDTUKFUOANGJH-NSHDSACASA-N 0 0 274.295 4.215 10 5 CIBERN COC(=O)[C@](C)(F)c1cccc2c3ccccc3ccc21 ZINC000034498668 171842162 /nfs/dbraw/zinc/84/21/62/171842162.db2.gz ZHMRROGYITTZIL-GOSISDBHSA-N 0 0 282.314 4.351 10 5 CIBERN Cc1c(N[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000034981110 171913213 /nfs/dbraw/zinc/91/32/13/171913213.db2.gz JVNDCGJFXQUNDN-LBPRGKRZSA-N 0 0 256.305 4.076 10 5 CIBERN C[C@@H](Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000035017987 171934911 /nfs/dbraw/zinc/93/49/11/171934911.db2.gz UFKGLPGWDMFOBV-SNVBAGLBSA-N 0 0 299.355 4.378 10 5 CIBERN O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000035019733 171938533 /nfs/dbraw/zinc/93/85/33/171938533.db2.gz VGSXGMDVQFWQBK-GUTXKFCHSA-N 0 0 274.364 4.366 10 5 CIBERN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000035019731 171938659 /nfs/dbraw/zinc/93/86/59/171938659.db2.gz VGSXGMDVQFWQBK-GZBFAFLISA-N 0 0 274.364 4.366 10 5 CIBERN Cc1ccc(NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000035054030 171955177 /nfs/dbraw/zinc/95/51/77/171955177.db2.gz WWQIZZQKFXBBRT-UHFFFAOYSA-N 0 0 276.723 4.169 10 5 CIBERN CC(C)c1ccc(CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000035223758 172067793 /nfs/dbraw/zinc/06/77/93/172067793.db2.gz MHLRDRWKWVAGMQ-UHFFFAOYSA-N 0 0 270.332 4.330 10 5 CIBERN Cc1ccc(C)c(Oc2ccc([C@@H](C)O)cc2[N+](=O)[O-])c1 ZINC000035632232 172314998 /nfs/dbraw/zinc/31/49/98/172314998.db2.gz CAOBZTQESNNOES-GFCCVEGCSA-N 0 0 287.315 4.057 10 5 CIBERN Cc1ccc(N[C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000035737155 172390384 /nfs/dbraw/zinc/39/03/84/172390384.db2.gz SWAHQIHUXLYTQY-SNVBAGLBSA-N 0 0 262.334 4.138 10 5 CIBERN CCC[C@@H](C)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000036970257 172838103 /nfs/dbraw/zinc/83/81/03/172838103.db2.gz KIYNCCNGSGKCDM-SECBINFHSA-N 0 0 256.733 4.096 10 5 CIBERN CC[C@H](C)C[C@H](CC)Nc1cc([N+](=O)[O-])ccc1F ZINC000037060427 172925026 /nfs/dbraw/zinc/92/50/26/172925026.db2.gz XOGPUQYLOPZVKG-QWRGUYRKSA-N 0 0 268.332 4.361 10 5 CIBERN Cc1ccc(N[C@@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000037298643 173102313 /nfs/dbraw/zinc/10/23/13/173102313.db2.gz GGTPCHWGLPAPIG-LBPRGKRZSA-N 0 0 262.353 4.284 10 5 CIBERN Cc1ccc([N+](=O)[O-])cc1N[C@@H](C)C1CCCCC1 ZINC000037298757 173103526 /nfs/dbraw/zinc/10/35/26/173103526.db2.gz VOCJDBCNGSOQEN-LBPRGKRZSA-N 0 0 262.353 4.284 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000037370722 173159746 /nfs/dbraw/zinc/15/97/46/173159746.db2.gz XFYXARCLGAFURX-UHFFFAOYSA-N 0 0 276.723 4.169 10 5 CIBERN Cc1cc(NC(=O)C(C)C)c2ccc3ccccc3c2n1 ZINC000040384440 174251405 /nfs/dbraw/zinc/25/14/05/174251405.db2.gz HYGSFNGMJPBCED-UHFFFAOYSA-N 0 0 278.355 4.291 10 5 CIBERN Cc1cccc(CNc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000075824555 176799347 /nfs/dbraw/zinc/79/93/47/176799347.db2.gz KSTZEXQISQVLLU-UHFFFAOYSA-N 0 0 276.723 4.169 10 5 CIBERN Cc1cc(N[C@H](C)c2ccc(Cl)s2)ncc1[N+](=O)[O-] ZINC000081275241 260182321 /nfs/dbraw/zinc/18/23/21/260182321.db2.gz WHNLJAKEEAYIEU-MRVPVSSYSA-N 0 0 297.767 4.186 10 5 CIBERN CCc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2C)cc1 ZINC000052812456 261143104 /nfs/dbraw/zinc/14/31/04/261143104.db2.gz MXLLCEVYIVFGIP-GFCCVEGCSA-N 0 0 285.347 4.034 10 5 CIBERN O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCCc2sccc21 ZINC000061364123 262396396 /nfs/dbraw/zinc/39/63/96/262396396.db2.gz QSGJAZMUOQPARK-LLVKDONJSA-N 0 0 292.335 4.285 10 5 CIBERN CCOc1cccc(N[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000134905138 264529055 /nfs/dbraw/zinc/52/90/55/264529055.db2.gz NITMWHNRVXTZKQ-SNVBAGLBSA-N 0 0 292.360 4.228 10 5 CIBERN CCc1cnc([C@H](C)Nc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000134928681 334108632 /nfs/dbraw/zinc/10/86/32/334108632.db2.gz XAOVUCHDZOXFAP-JTQLQIEISA-N 0 0 291.376 4.095 10 5 CIBERN Cc1cc(NCc2cccc(NC(C)C)c2)ccc1[N+](=O)[O-] ZINC000301964455 533997381 /nfs/dbraw/zinc/99/73/81/533997381.db2.gz SXQXUQRZALXSLV-UHFFFAOYSA-N 0 0 299.374 4.336 10 5 CIBERN CC(C)c1ccccc1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840312 519846800 /nfs/dbraw/zinc/84/68/00/519846800.db2.gz KIXPQYNEWVFMAD-UHFFFAOYSA-N 0 0 271.320 4.044 10 5 CIBERN CC[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000054084673 522956832 /nfs/dbraw/zinc/95/68/32/522956832.db2.gz URLHVKFKQZEERB-SNVBAGLBSA-N 0 0 280.711 4.404 10 5 CIBERN CC[C@@H]1CCCC[C@@H]1Oc1cccc(F)c1[N+](=O)[O-] ZINC000054268900 523207594 /nfs/dbraw/zinc/20/75/94/523207594.db2.gz BHIYQKXDHZZBJO-PWSUYJOCSA-N 0 0 267.300 4.082 10 5 CIBERN CCc1ccc(CNc2cccc([N+](=O)[O-])c2C)s1 ZINC000051717899 523948499 /nfs/dbraw/zinc/94/84/99/523948499.db2.gz WVPQYKKNTMVYQB-UHFFFAOYSA-N 0 0 276.361 4.139 10 5 CIBERN Cc1cc(N[C@@H](C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000042246500 525293850 /nfs/dbraw/zinc/29/38/50/525293850.db2.gz YCVXHRQKYHDQSI-JTQLQIEISA-N 0 0 292.285 4.355 10 5 CIBERN Cc1cc(N[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000042248497 525297297 /nfs/dbraw/zinc/29/72/97/525297297.db2.gz RAEWJMMSVUYWOB-OAHLLOKOSA-N 0 0 268.316 4.003 10 5 CIBERN C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1cccs1 ZINC000227887565 525640768 /nfs/dbraw/zinc/64/07/68/525640768.db2.gz OONWHHHYEMYPDP-ZETCQYMHSA-N 0 0 284.287 4.108 10 5 CIBERN O=[N+]([O-])c1cccc2c1-c1cccc3c1c-2ccc3[N+](=O)[O-] ZINC000001846924 560185006 /nfs/dbraw/zinc/18/50/06/560185006.db2.gz WAAHHGKGQYVTNS-UHFFFAOYSA-N 0 0 292.250 4.304 10 5 in-vitro CIBERN CC(C)CCC[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000104148086 185911410 /nfs/dbraw/zinc/91/14/10/185911410.db2.gz OLPXNOPLYQLJLZ-LLVKDONJSA-N 0 0 268.332 4.361 10 5 CIBERN CCCCC[C@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000104177460 185916787 /nfs/dbraw/zinc/91/67/87/185916787.db2.gz FRSMZUQXXXBKLV-JTQLQIEISA-N 0 0 254.305 4.115 10 5 CIBERN O=Cc1c(Cl)cccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000104295219 185957556 /nfs/dbraw/zinc/95/75/56/185957556.db2.gz RJJDFMZWVDPTPR-UHFFFAOYSA-N 0 0 293.731 4.212 10 5 CIBERN CCOc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000109029391 186241691 /nfs/dbraw/zinc/24/16/91/186241691.db2.gz OMQWWRBNFWPIRR-ARJAWSKDSA-N 0 0 269.300 4.164 10 5 CIBERN O=[N+]([O-])c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000226248063 189770458 /nfs/dbraw/zinc/77/04/58/189770458.db2.gz WHXOTOZFWBDTJG-UHFFFAOYSA-N 0 0 292.653 4.196 10 5 CIBERN Cc1ccc([C@@H](O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000226291951 189771609 /nfs/dbraw/zinc/77/16/09/189771609.db2.gz HEHFJCMWYCYCRA-KRWDZBQOSA-N 0 0 285.343 4.108 10 5 CIBERN O=[N+]([O-])c1ccccc1Nc1ccc(F)c(Cl)c1 ZINC000020298817 256810063 /nfs/dbraw/zinc/81/00/63/256810063.db2.gz BDNMXRKLMJTYHJ-UHFFFAOYSA-N 0 0 266.659 4.131 10 5 CIBERN O[C@H]1c2cccc3ccc4c5ccccc5cc(c4c32)[C@@H]1O ZINC000002008021 169767301 /nfs/dbraw/zinc/76/73/01/169767301.db2.gz OYOQHRXJXXTZII-PMACEKPBSA-N 0 0 286.330 4.227 10 5 CIBERN Cc1ccc2nc3n(C)c4ccccc4c(C)c-3c2c1 ZINC000005160947 170072256 /nfs/dbraw/zinc/07/22/56/170072256.db2.gz PUGNFTALAPAHFL-UHFFFAOYSA-N 0 0 260.340 4.448 10 5 CIBERN CCN(CC)c1cccc(Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005311911 170085188 /nfs/dbraw/zinc/08/51/88/170085188.db2.gz YQXDJZFTRWOREN-UHFFFAOYSA-N 0 0 285.347 4.185 10 5 CIBERN O=[N+]([O-])c1cc2c3c(cc([N+](=O)[O-])cc3c1)-c1ccccc1-2 ZINC000006116852 170177003 /nfs/dbraw/zinc/17/70/03/170177003.db2.gz ZXUTUBIMUQTECM-UHFFFAOYSA-N 0 0 292.250 4.304 10 5 CIBERN Cc1ccc(Sc2ccc(C=O)cc2[N+](=O)[O-])c(C)c1 ZINC000007983501 170311762 /nfs/dbraw/zinc/31/17/62/170311762.db2.gz NPUQTTDRNPBHMB-UHFFFAOYSA-N 0 0 287.340 4.175 10 5 CIBERN C[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020548869 171245974 /nfs/dbraw/zinc/24/59/74/171245974.db2.gz QPRWSRMPSYIPRI-JOYOIKCWSA-N 0 0 268.744 4.239 10 5 CIBERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000020669724 171269357 /nfs/dbraw/zinc/26/93/57/171269357.db2.gz SEBFKQNIIPYUPO-VIFPVBQESA-N 0 0 280.711 4.323 10 5 CIBERN CSc1ccccc1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035019109 171937416 /nfs/dbraw/zinc/93/74/16/171937416.db2.gz QNYAFCQAZZYYQY-LLVKDONJSA-N 0 0 288.372 4.490 10 5 CIBERN C[C@H](O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000035631880 172314242 /nfs/dbraw/zinc/31/42/42/172314242.db2.gz VJSNPUHFRINMQR-VIFPVBQESA-N 0 0 293.706 4.094 10 5 CIBERN CCc1ccc(Oc2ccc([C@@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000035632156 172314329 /nfs/dbraw/zinc/31/43/29/172314329.db2.gz RPESBGRCHYCPJO-LLVKDONJSA-N 0 0 287.315 4.003 10 5 CIBERN C[C@@H](O)c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000035632323 172315006 /nfs/dbraw/zinc/31/50/06/172315006.db2.gz SSMJKFQQYZEVKA-SECBINFHSA-N 0 0 293.706 4.094 10 5 CIBERN Cc1ccc(N[C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000035737154 172390274 /nfs/dbraw/zinc/39/02/74/172390274.db2.gz SWAHQIHUXLYTQY-JTQLQIEISA-N 0 0 262.334 4.138 10 5 CIBERN Cc1cc([C@H](C)Nc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000037058502 172924597 /nfs/dbraw/zinc/92/45/97/172924597.db2.gz CEKRTQVCGCGXFI-JTQLQIEISA-N 0 0 276.361 4.446 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCc2ccccc21 ZINC000037061814 172925698 /nfs/dbraw/zinc/92/56/98/172925698.db2.gz UREPSEHXELPYSF-INIZCTEOSA-N 0 0 268.316 4.003 10 5 CIBERN C[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000037117732 172967859 /nfs/dbraw/zinc/96/78/59/172967859.db2.gz WZKGQOUOIUKXBQ-UWVGGRQHSA-N 0 0 268.744 4.239 10 5 CIBERN Cc1cccc(Nc2nc(Cl)ccc2[N+](=O)[O-])c1C ZINC000037331717 173132309 /nfs/dbraw/zinc/13/23/09/173132309.db2.gz XDXCUKPRGNZOBG-UHFFFAOYSA-N 0 0 277.711 4.004 10 5 CIBERN C[C@H]1CCCC[C@@H]1OCc1cc([N+](=O)[O-])ccc1Cl ZINC000037404128 173180043 /nfs/dbraw/zinc/18/00/43/173180043.db2.gz WWCXDWGEEMRPFF-HZMBPMFUSA-N 0 0 283.755 4.344 10 5 CIBERN C[C@H]1CCCC[C@H]1OCc1cc([N+](=O)[O-])ccc1Cl ZINC000037404132 173180053 /nfs/dbraw/zinc/18/00/53/173180053.db2.gz WWCXDWGEEMRPFF-IINYFYTJSA-N 0 0 283.755 4.344 10 5 CIBERN C[C@H](NCc1csc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000037562569 173272777 /nfs/dbraw/zinc/27/27/77/173272777.db2.gz SLVOVLYRONELMT-VIFPVBQESA-N 0 0 296.779 4.161 10 5 CIBERN O=[N+]([O-])c1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000039044538 174162042 /nfs/dbraw/zinc/16/20/42/174162042.db2.gz UYFDMHRGUWCUHK-UHFFFAOYSA-N 0 0 274.276 4.011 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1Nc1ccnc2c(F)cccc12 ZINC000039963742 174179821 /nfs/dbraw/zinc/17/98/21/174179821.db2.gz GHDBRCSGKCIDRR-UHFFFAOYSA-N 0 0 297.289 4.334 10 5 CIBERN CC(C)(C)c1ccccc1Nc1ccc([N+](=O)[O-])cc1N ZINC000071174151 176053416 /nfs/dbraw/zinc/05/34/16/176053416.db2.gz YMNWCBWPWNXLKC-UHFFFAOYSA-N 0 0 285.347 4.218 10 5 CIBERN C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000214727988 260044933 /nfs/dbraw/zinc/04/49/33/260044933.db2.gz GLCRYSNANXNHNK-JTQLQIEISA-N 0 0 299.355 4.378 10 5 CIBERN O=[N+]([O-])c1ccccc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000070275665 260155162 /nfs/dbraw/zinc/15/51/62/260155162.db2.gz PTZIKDSBKQWZJF-ZJUUUORDSA-N 0 0 288.269 4.128 10 5 CIBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000070275667 260155315 /nfs/dbraw/zinc/15/53/15/260155315.db2.gz KMEDRHBCKGDCTD-GXSJLCMTSA-N 0 0 288.269 4.128 10 5 CIBERN CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000301638526 261339336 /nfs/dbraw/zinc/33/93/36/261339336.db2.gz FVVLDGXZLCUTPQ-HNNXBMFYSA-N 0 0 298.342 4.309 10 5 CIBERN Cc1ccc([C@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000093632767 327131746 /nfs/dbraw/zinc/13/17/46/327131746.db2.gz RTTBCZIESNKESW-JTQLQIEISA-N 0 0 294.738 4.000 10 5 CIBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccc(C(F)F)cc1 ZINC000131406360 327161993 /nfs/dbraw/zinc/16/19/93/327161993.db2.gz FQZXEEVXUXDNCG-UHFFFAOYSA-N 0 0 296.248 4.284 10 5 CIBERN Cc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000049963522 327299658 /nfs/dbraw/zinc/29/96/58/327299658.db2.gz PSGYWASRJGNDFC-SNVBAGLBSA-N 0 0 294.738 4.000 10 5 CIBERN CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000227650613 333287311 /nfs/dbraw/zinc/28/73/11/333287311.db2.gz KVIUHIALYDAXFK-CYBMUJFWSA-N 0 0 291.738 4.206 10 5 CIBERN C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1cccs1 ZINC000227887560 333290125 /nfs/dbraw/zinc/29/01/25/333290125.db2.gz OONWHHHYEMYPDP-SSDOTTSWSA-N 0 0 284.287 4.108 10 5 CIBERN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1CCCC1 ZINC000070307313 333806891 /nfs/dbraw/zinc/80/68/91/333806891.db2.gz YDGYZCYEHSUSIN-NSHDSACASA-N 0 0 285.347 4.134 10 5 CIBERN CCNc1ccc([N+](=O)[O-])cc1CSc1cccs1 ZINC000050833673 520330695 /nfs/dbraw/zinc/33/06/95/520330695.db2.gz LVRKCVJDRKOVKE-UHFFFAOYSA-N 0 0 294.401 4.380 10 5 CIBERN Cc1ccc(CNc2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000050439361 524611211 /nfs/dbraw/zinc/61/12/11/524611211.db2.gz DFSBOHKAMNNXNM-UHFFFAOYSA-N 0 0 276.361 4.194 10 5 CIBERN Cc1ccsc1CNc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439279 525862934 /nfs/dbraw/zinc/86/29/34/525862934.db2.gz QHBBIPNYJCFGRV-UHFFFAOYSA-N 0 0 276.361 4.194 10 5 CIBERN Nc1cc([N+](=O)[O-])ccc1Nc1cccc(Cl)c1Cl ZINC000052840388 527461511 /nfs/dbraw/zinc/46/15/11/527461511.db2.gz SSMALCIBYDTVTD-UHFFFAOYSA-N 0 0 298.129 4.227 10 5 CIBERN O[C@H]1CCc2cc3ccc4cccc5ccc(c2C1)c3c45 ZINC000006094715 560205184 /nfs/dbraw/zinc/20/51/84/560205184.db2.gz WJDNKJGWMKTBJQ-INIZCTEOSA-N 0 0 272.347 4.434 10 5 in-vitro CIBERN Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c(Cl)c1 ZINC000073640072 567893073 /nfs/dbraw/zinc/89/30/73/567893073.db2.gz GRNXDBKYTGDWIJ-UHFFFAOYSA-N 0 0 288.690 4.365 10 5 CIBERN CCc1cc([N+](=O)[O-])cc2nc(-c3cccc(C)c3)oc21 ZINC000073641670 567893481 /nfs/dbraw/zinc/89/34/81/567893481.db2.gz PKWTYQFBSMJCSD-UHFFFAOYSA-N 0 0 282.299 4.274 10 5 CIBERN CCc1cc([N+](=O)[O-])cc2nc(-c3ccccc3C)oc21 ZINC000073641674 567893611 /nfs/dbraw/zinc/89/36/11/567893611.db2.gz QCKABBCQAPSHKU-UHFFFAOYSA-N 0 0 282.299 4.274 10 5 CIBERN Cc1cc(Cl)c2ncc([N+](=O)[O-])c(Cl)c2c1Cl ZINC000098061940 567907519 /nfs/dbraw/zinc/90/75/19/567907519.db2.gz OHNHIUYUAYMCLP-UHFFFAOYSA-N 0 0 291.521 4.412 10 5 CIBERN O=[N+]([O-])c1cnc2ccc(-c3ccccc3)cc2c1Cl ZINC000098061865 567907524 /nfs/dbraw/zinc/90/75/24/567907524.db2.gz ROFHLJOEADATAL-UHFFFAOYSA-N 0 0 284.702 4.463 10 5 CIBERN C[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000226316656 136386874 /nfs/dbraw/zinc/38/68/74/136386874.db2.gz PWZOIBHKSLFDGO-MRVPVSSYSA-N 0 0 289.162 4.138 10 5 CIBERN CCc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C)CC1 ZINC000226315319 136387092 /nfs/dbraw/zinc/38/70/92/136387092.db2.gz NIRQNUPWNNZGEM-UHFFFAOYSA-N 0 0 282.771 4.047 10 5 CIBERN CCCCCN(c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000104160432 185914924 /nfs/dbraw/zinc/91/49/24/185914924.db2.gz HZORCPYZHCRNFI-UHFFFAOYSA-N 0 0 268.332 4.139 10 5 CIBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccc2ccccc2c1 ZINC000005332357 170086532 /nfs/dbraw/zinc/08/65/32/170086532.db2.gz PUGHUUIQTFLKDD-UHFFFAOYSA-N 0 0 279.299 4.074 10 5 CIBERN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000005518852 170107610 /nfs/dbraw/zinc/10/76/10/170107610.db2.gz GMILPSWCMXCKJV-UHFFFAOYSA-N 0 0 292.294 4.000 10 5 CIBERN Cc1ccc(NC(=O)c2c(C)cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000005698351 170130575 /nfs/dbraw/zinc/13/05/75/170130575.db2.gz QDZCUQGJUFLBOP-UHFFFAOYSA-N 0 0 298.342 4.081 10 5 CIBERN O=[N+]([O-])c1cc2ccc3cc([N+](=O)[O-])cc4ccc(c1)c2c34 ZINC000006094452 170175851 /nfs/dbraw/zinc/17/58/51/170175851.db2.gz UTESMPAHZRAKMZ-UHFFFAOYSA-N 0 0 292.250 4.400 10 5 CIBERN CCc1ccc(Oc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000008178130 170322892 /nfs/dbraw/zinc/32/28/92/170322892.db2.gz CXXIVBZOWXXCIK-UHFFFAOYSA-N 0 0 285.299 4.152 10 5 CIBERN C[C@H](Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000020091352 170990657 /nfs/dbraw/zinc/99/06/57/170990657.db2.gz ZZQSYIFABGTPDE-VIFPVBQESA-N 0 0 278.258 4.046 10 5 CIBERN Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020362743 171161635 /nfs/dbraw/zinc/16/16/35/171161635.db2.gz ODNATAUYEUMAQU-UHFFFAOYSA-N 0 0 291.690 4.161 10 5 CIBERN C[C@H](Nc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000021013825 171288789 /nfs/dbraw/zinc/28/87/89/171288789.db2.gz JJFJKUZIBWMERS-JTQLQIEISA-N 0 0 276.723 4.421 10 5 CIBERN Cc1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000021511321 171310515 /nfs/dbraw/zinc/31/05/15/171310515.db2.gz XCONGCKGSIOCCS-CYBMUJFWSA-N 0 0 270.332 4.385 10 5 CIBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000023990929 171428947 /nfs/dbraw/zinc/42/89/47/171428947.db2.gz BMEJIGODCSGHGG-JTQLQIEISA-N 0 0 276.723 4.421 10 5 CIBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000024107746 171432512 /nfs/dbraw/zinc/43/25/12/171432512.db2.gz LFIFMSJWWPNPQP-VIFPVBQESA-N 0 0 278.258 4.046 10 5 CIBERN CCCCCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000034979419 171911922 /nfs/dbraw/zinc/91/19/22/171911922.db2.gz FGZMRHCXRIBHEK-UHFFFAOYSA-N 0 0 256.733 4.240 10 5 CIBERN O=[N+]([O-])c1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035019725 171938561 /nfs/dbraw/zinc/93/85/61/171938561.db2.gz DERVTZGJNBFLHN-BFHYXJOUSA-N 0 0 274.364 4.366 10 5 CIBERN O=[N+]([O-])c1cc(NCCCc2ccccc2)ccc1Cl ZINC000035224140 172068591 /nfs/dbraw/zinc/06/85/91/172068591.db2.gz JJRJMASTHKYUMA-UHFFFAOYSA-N 0 0 290.750 4.293 10 5 CIBERN C[C@@H](O)c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000035632211 172314990 /nfs/dbraw/zinc/31/49/90/172314990.db2.gz QLSWRUVCWUCBSA-SECBINFHSA-N 0 0 293.706 4.094 10 5 CIBERN CCc1ccccc1Oc1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035632578 172315341 /nfs/dbraw/zinc/31/53/41/172315341.db2.gz UVJSHSRIUNAJII-LLVKDONJSA-N 0 0 287.315 4.003 10 5 CIBERN Cc1cc(N[C@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000035737153 172390536 /nfs/dbraw/zinc/39/05/36/172390536.db2.gz DRGPTKYSIGJXEP-SNVBAGLBSA-N 0 0 262.334 4.138 10 5 CIBERN O=[N+]([O-])c1cc(Cl)ccc1NCC1CCCCC1 ZINC000037247298 173060526 /nfs/dbraw/zinc/06/05/26/173060526.db2.gz ZAVUOIVHLNXNPY-UHFFFAOYSA-N 0 0 268.744 4.240 10 5 CIBERN Cc1ccc(N[C@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000037298645 173102708 /nfs/dbraw/zinc/10/27/08/173102708.db2.gz GGTPCHWGLPAPIG-GFCCVEGCSA-N 0 0 262.353 4.284 10 5 CIBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1cccc(Cl)c1 ZINC000038082302 174091303 /nfs/dbraw/zinc/09/13/03/174091303.db2.gz QOLWEGZJGIKCJQ-UHFFFAOYSA-N 0 0 285.086 4.089 10 5 CIBERN Cc1ccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000038082236 174091346 /nfs/dbraw/zinc/09/13/46/174091346.db2.gz RMUGSSWPQDMWBT-UHFFFAOYSA-N 0 0 278.695 4.052 10 5 CIBERN C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)c2ccccc21 ZINC000192507327 227847082 /nfs/dbraw/zinc/84/70/82/227847082.db2.gz VTMIQIMTQYKENO-SKDRFNHKSA-N 0 0 289.360 4.102 10 5 CIBERN Cc1cc(N[C@H](C)c2cccs2)c(F)cc1[N+](=O)[O-] ZINC000311753196 260258280 /nfs/dbraw/zinc/25/82/80/260258280.db2.gz DLGAKVBNCJHCRE-SECBINFHSA-N 0 0 280.324 4.277 10 5 CIBERN CC[C@@H](Nc1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000129873780 260391251 /nfs/dbraw/zinc/39/12/51/260391251.db2.gz KUWAIEWVDIWIDD-CYBMUJFWSA-N 0 0 291.738 4.206 10 5 CIBERN Cc1ccccc1[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000048804752 260657230 /nfs/dbraw/zinc/65/72/30/260657230.db2.gz NIKFVVYUIOZYRG-NSHDSACASA-N 0 0 274.295 4.215 10 5 CIBERN Cc1ccccc1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000019983614 262210929 /nfs/dbraw/zinc/21/09/29/262210929.db2.gz WFVZIIMEJKPLEZ-CYBMUJFWSA-N 0 0 270.332 4.385 10 5 CIBERN Cc1ccccc1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000019983618 262211195 /nfs/dbraw/zinc/21/11/95/262211195.db2.gz WFVZIIMEJKPLEZ-ZDUSSCGKSA-N 0 0 270.332 4.385 10 5 CIBERN Cc1cc(NCCCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000128955472 327154854 /nfs/dbraw/zinc/15/48/54/327154854.db2.gz JVSWBNRQPPXAPJ-UHFFFAOYSA-N 0 0 276.258 4.048 10 5 CIBERN Cc1cccc(N[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000218827653 329084671 /nfs/dbraw/zinc/08/46/71/329084671.db2.gz HXSIPDFSCUNLEA-JTQLQIEISA-N 0 0 262.334 4.138 10 5 CIBERN Cc1cccc(N[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000218827727 329084737 /nfs/dbraw/zinc/08/47/37/329084737.db2.gz HXSIPDFSCUNLEA-SNVBAGLBSA-N 0 0 262.334 4.138 10 5 CIBERN CCCc1c(CC)nc2ccc([N+](=O)[O-])cc2c1CC ZINC000536953448 330382651 /nfs/dbraw/zinc/38/26/51/330382651.db2.gz LSGTXDWPAWLMDQ-UHFFFAOYSA-N 0 0 272.348 4.220 10 5 CIBERN CCc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000134927459 334108556 /nfs/dbraw/zinc/10/85/56/334108556.db2.gz AOZSERMOADJMMT-JTQLQIEISA-N 0 0 291.376 4.095 10 5 CIBERN CC(=O)c1ccc(Oc2sccc2[N+](=O)[O-])c(Cl)c1 ZINC000120380629 518399699 /nfs/dbraw/zinc/39/96/99/518399699.db2.gz NTTKOJONBCMNDI-UHFFFAOYSA-N 0 0 297.719 4.305 10 5 CIBERN O=[N+]([O-])c1c(F)cccc1SCC1CCCC1 ZINC000062836243 527321803 /nfs/dbraw/zinc/32/18/03/527321803.db2.gz GWNINNXECFYHBK-UHFFFAOYSA-N 0 0 255.314 4.016 10 5 CIBERN O=[N+]([O-])c1ccc(N[C@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000037299713 527368374 /nfs/dbraw/zinc/36/83/74/527368374.db2.gz KEFYLHRABSEFKI-INIZCTEOSA-N 0 0 286.306 4.297 10 5 CIBERN CC(C)(C)c1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000098061872 567907327 /nfs/dbraw/zinc/90/73/27/567907327.db2.gz WDFRCLHYDBGDTD-UHFFFAOYSA-N 0 0 264.712 4.094 10 5 CIBERN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000003898763 567181472 /nfs/dbraw/zinc/18/14/72/567181472.db2.gz UHNHUGKBLSZENK-UHFFFAOYSA-N 0 0 287.359 4.071 10 5 CIBERN Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(C)c(C)c3)oc21 ZINC000073639264 567893514 /nfs/dbraw/zinc/89/35/14/567893514.db2.gz XAFXQJWEUFHPPC-UHFFFAOYSA-N 0 0 282.299 4.328 10 5 CIBERN CC[C@@H](C)c1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000098061817 567907480 /nfs/dbraw/zinc/90/74/80/567907480.db2.gz SDYGAHAYHKBWTN-MRVPVSSYSA-N 0 0 264.712 4.310 10 5 CIBERN COC(=O)CCc1c2ccccc2cc2ccccc21 ZINC000083230213 178362559 /nfs/dbraw/zinc/36/25/59/178362559.db2.gz YQRDHEKLWUULDT-UHFFFAOYSA-N 0 0 264.324 4.099 10 5 CIBERN Cc1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000104169864 185916037 /nfs/dbraw/zinc/91/60/37/185916037.db2.gz KRZBOKYYZFRWSQ-SCDSUCTJSA-N 0 0 262.353 4.140 10 5 CIBERN O=[N+]([O-])c1ccc2c(ccn2Cc2ccc(Cl)cc2)c1 ZINC000090487565 179991534 /nfs/dbraw/zinc/99/15/34/179991534.db2.gz KVZQJGWKZDPSBM-UHFFFAOYSA-N 0 0 286.718 4.251 10 5 CIBERN CC1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000104448586 186006087 /nfs/dbraw/zinc/00/60/87/186006087.db2.gz GWOWRSDJNOGNAV-UHFFFAOYSA-N 0 0 268.744 4.240 10 5 CIBERN CCCC(=O)c1ccc(CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005819677 170144099 /nfs/dbraw/zinc/14/40/99/170144099.db2.gz HQXSMDGREYUOEZ-UHFFFAOYSA-N 0 0 297.354 4.363 10 5 CIBERN O=[N+]([O-])c1cc2c3c(cccc3c1[N+](=O)[O-])-c1ccccc1-2 ZINC000006116871 170177296 /nfs/dbraw/zinc/17/72/96/170177296.db2.gz ZRHCFMUGIWBGJI-UHFFFAOYSA-N 0 0 292.250 4.304 10 5 CIBERN O=[N+]([O-])c1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000006222524 170183655 /nfs/dbraw/zinc/18/36/55/170183655.db2.gz ZSJJSEFLMQSFMR-UHFFFAOYSA-N 0 0 274.663 4.056 10 5 CIBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000007907877 170307246 /nfs/dbraw/zinc/30/72/46/170307246.db2.gz KUCLNYDYOYGODC-QMMMGPOBSA-N 0 0 266.684 4.014 10 5 CIBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc(O)cc1 ZINC000008419029 170335837 /nfs/dbraw/zinc/33/58/37/170335837.db2.gz YTAPFCPYBCQLEM-UHFFFAOYSA-N 0 0 298.220 4.063 10 5 CIBERN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1cccs1 ZINC000015129759 170658102 /nfs/dbraw/zinc/65/81/02/170658102.db2.gz KEXLXBAWZMOOBK-JTQLQIEISA-N 0 0 299.355 4.378 10 5 CIBERN O=[N+]([O-])c1cccc(-c2cn3c(ccc4ccccc43)n2)c1 ZINC000018196504 170747580 /nfs/dbraw/zinc/74/75/80/170747580.db2.gz OVIUZSQLMWKCRK-UHFFFAOYSA-N 0 0 289.294 4.063 10 5 CIBERN CC(C)c1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000021049017 171294809 /nfs/dbraw/zinc/29/48/09/171294809.db2.gz QGVQCMWMMFBWJG-UHFFFAOYSA-N 0 0 270.332 4.330 10 5 CIBERN Cc1ccc(NCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000035223788 172068091 /nfs/dbraw/zinc/06/80/91/172068091.db2.gz SRWKMKDOELMDMR-UHFFFAOYSA-N 0 0 276.723 4.169 10 5 CIBERN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000035252209 172082150 /nfs/dbraw/zinc/08/21/50/172082150.db2.gz AJNFWCHDYBYWNZ-QMMMGPOBSA-N 0 0 282.752 4.483 10 5 CIBERN CCc1cccc(Oc2ccc([C@@H](C)O)cc2[N+](=O)[O-])c1 ZINC000035631902 172314418 /nfs/dbraw/zinc/31/44/18/172314418.db2.gz WYENXACZEVMUNY-LLVKDONJSA-N 0 0 287.315 4.003 10 5 CIBERN Cc1ccc(NC2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000037059137 172924421 /nfs/dbraw/zinc/92/44/21/172924421.db2.gz WNIFAJVMBHLIGI-RYUDHWBXSA-N 0 0 262.353 4.140 10 5 CIBERN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000037281039 173089114 /nfs/dbraw/zinc/08/91/14/173089114.db2.gz XZOQRHNSMPCEFT-SNVBAGLBSA-N 0 0 266.316 4.115 10 5 CIBERN Cc1ccc(C)c(Nc2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC000037331685 173132550 /nfs/dbraw/zinc/13/25/50/173132550.db2.gz FBDRFKLTLOINTD-UHFFFAOYSA-N 0 0 277.711 4.004 10 5 CIBERN O=C(Nc1ccnc2c3ccccc3ccc12)c1ccco1 ZINC000040384303 174251598 /nfs/dbraw/zinc/25/15/98/174251598.db2.gz KQYKMNGKAWRYTF-UHFFFAOYSA-N 0 0 288.306 4.233 10 5 CIBERN CC(C)CC(=O)Nc1ccnc2c3ccccc3ccc12 ZINC000040384273 174251649 /nfs/dbraw/zinc/25/16/49/174251649.db2.gz KZHXBVZBJKOIEM-UHFFFAOYSA-N 0 0 278.355 4.373 10 5 CIBERN O=C(Nc1ccnc2c3ccccc3ccc12)c1cccnc1 ZINC000040384285 174251705 /nfs/dbraw/zinc/25/17/05/174251705.db2.gz JIKJBYZHCAVQBR-UHFFFAOYSA-N 0 0 299.333 4.035 10 5 CIBERN O=[N+]([O-])c1ccc(Cl)cc1-c1nc2ccccc2o1 ZINC000071317173 176122255 /nfs/dbraw/zinc/12/22/55/176122255.db2.gz GUNFBIPMLOEUPX-UHFFFAOYSA-N 0 0 274.663 4.056 10 5 CIBERN Cc1ccnc(N[C@@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000070496130 260158079 /nfs/dbraw/zinc/15/80/79/260158079.db2.gz AHDLFISHYYDRTN-JTQLQIEISA-N 0 0 291.738 4.125 10 5 CIBERN Cc1cnc(N[C@@H](C)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000090692153 260261076 /nfs/dbraw/zinc/26/10/76/260261076.db2.gz DJGCYVPBLFNZHK-QMMMGPOBSA-N 0 0 297.767 4.186 10 5 CIBERN Cc1cc(N[C@@H](C)c2cccc(Cl)c2)ncc1[N+](=O)[O-] ZINC000092026851 260267280 /nfs/dbraw/zinc/26/72/80/260267280.db2.gz PEOFPHIHBRVUCR-JTQLQIEISA-N 0 0 291.738 4.125 10 5 CIBERN O=[N+]([O-])c1cc(Cl)ccc1NCCCCC(F)(F)F ZINC000128944271 260379395 /nfs/dbraw/zinc/37/93/95/260379395.db2.gz JEDZXIGBEWBYSB-UHFFFAOYSA-N 0 0 296.676 4.393 10 5 CIBERN Cc1cc([C@@H](C)Nc2cc(F)ccc2[N+](=O)[O-])c(C)o1 ZINC000052120677 261062721 /nfs/dbraw/zinc/06/27/21/261062721.db2.gz XOXDQQWPIYQAMN-SECBINFHSA-N 0 0 278.283 4.117 10 5 CIBERN Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000047873294 327277017 /nfs/dbraw/zinc/27/70/17/327277017.db2.gz UTHRMUNEOPXCGM-LLVKDONJSA-N 0 0 274.295 4.215 10 5 CIBERN COc1cccc(N[C@@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000134912718 334108154 /nfs/dbraw/zinc/10/81/54/334108154.db2.gz VEEWRHRPDFRGLC-LBPRGKRZSA-N 0 0 286.331 4.085 10 5 CIBERN C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)c2ccccc21 ZINC000192507351 534194000 /nfs/dbraw/zinc/19/40/00/534194000.db2.gz VTMIQIMTQYKENO-BXKDBHETSA-N 0 0 289.360 4.102 10 5 CIBERN O[C@@H]1C=Cc2c3ccc4cccc5ccc(cc2[C@H]1O)c3c54 ZINC000002019692 534407252 /nfs/dbraw/zinc/40/72/52/534407252.db2.gz YDXRLMMGARHIIC-YLJYHZDGSA-N 0 0 286.330 4.005 10 5 in-man,metabolite CIBERN CCNc1ccc([N+](=O)[O-])cc1CSC1CCCC1 ZINC000062831171 520329891 /nfs/dbraw/zinc/32/98/91/520329891.db2.gz BLYSOFKUWFDDKZ-UHFFFAOYSA-N 0 0 280.393 4.202 10 5 CIBERN C[C@H]1CCC[C@@H](Sc2cccc(F)c2[N+](=O)[O-])C1 ZINC000054691877 524153390 /nfs/dbraw/zinc/15/33/90/524153390.db2.gz LNPLPKYROHAZEN-VHSXEESVSA-N 0 0 269.341 4.405 10 5 CIBERN CC(=O)c1ccc(Oc2ccc(C)cc2[N+](=O)[O-])cc1F ZINC000301837261 527329287 /nfs/dbraw/zinc/32/92/87/527329287.db2.gz XXNXRFNKJOKWED-UHFFFAOYSA-N 0 0 289.262 4.037 10 5 CIBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)c(Cl)c1 ZINC000052840328 527461469 /nfs/dbraw/zinc/46/14/69/527461469.db2.gz GSIQQPUNEHTTLK-UHFFFAOYSA-N 0 0 298.129 4.227 10 5 CIBERN Nc1cc([N+](=O)[O-])ccc1Oc1cc(Cl)cc(Cl)c1 ZINC000052841777 527461630 /nfs/dbraw/zinc/46/16/30/527461630.db2.gz DEVABKMBRAQXNA-UHFFFAOYSA-N 0 0 299.113 4.276 10 5 CIBERN O[C@@H]1C=Cc2cc3ccc4cccc5ccc(c3c45)c2[C@@H]1O ZINC000002001090 560185378 /nfs/dbraw/zinc/18/53/78/560185378.db2.gz GHARBPKRUUKTCI-OXQOHEQNSA-N 0 0 286.330 4.005 10 5 in-vitro CIBERN Cc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3o2)cc1 ZINC000226249798 567039159 /nfs/dbraw/zinc/03/91/59/567039159.db2.gz PZEIMJNCYLDWPW-RMKNXTFCSA-N 0 0 280.283 4.215 10 5 CIBERN Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3o2)ccc1Cl ZINC000226239765 567039342 /nfs/dbraw/zinc/03/93/42/567039342.db2.gz ABGWBISSSWNNCB-UHFFFAOYSA-N 0 0 288.690 4.365 10 5 CIBERN CCc1cc([N+](=O)[O-])cc2nc(-c3ccc(C)cc3)oc21 ZINC000073641669 567893546 /nfs/dbraw/zinc/89/35/46/567893546.db2.gz NXPQRMOFLOBJKR-UHFFFAOYSA-N 0 0 282.299 4.274 10 5 CIBERN Cc1cc(C)cc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c1 ZINC000073639268 567893596 /nfs/dbraw/zinc/89/35/96/567893596.db2.gz PFHVXJFSNHNZEI-UHFFFAOYSA-N 0 0 282.299 4.328 10 5 CIBERN C[C@@H]1CCC[C@@H](C)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000226316703 136387032 /nfs/dbraw/zinc/38/70/32/136387032.db2.gz UFFZVOZVRIHSHY-NXEZZACHSA-N 0 0 268.744 4.016 10 5 CIBERN C[C@@H]1CCC[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000104169910 185916543 /nfs/dbraw/zinc/91/65/43/185916543.db2.gz YHQSYSSHWKOZFL-ZJUUUORDSA-N 0 0 268.744 4.239 10 5 CIBERN Cc1c([C@@H](O)c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000226294275 189771659 /nfs/dbraw/zinc/77/16/59/189771659.db2.gz XFXRMPNVZDHANI-GOSISDBHSA-N 0 0 293.322 4.138 10 5 CIBERN Cc1c2ccc3ccccc3c2nc2ccc(CO)cc12 ZINC000005159788 170072211 /nfs/dbraw/zinc/07/22/11/170072211.db2.gz NHNNUFKPFVKFBH-UHFFFAOYSA-N 0 0 273.335 4.342 10 5 CIBERN CCCC[C@@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005466755 170102082 /nfs/dbraw/zinc/10/20/82/170102082.db2.gz JYBSCJZUZMKUBB-SNVBAGLBSA-N 0 0 298.770 4.403 10 5 CIBERN CC(C)(C)c1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000006270700 170187207 /nfs/dbraw/zinc/18/72/07/170187207.db2.gz XWGOPNWWIGDRFV-UHFFFAOYSA-N 0 0 299.326 4.112 10 5 CIBERN Cc1ccc(C)c(Sc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000007983484 170311575 /nfs/dbraw/zinc/31/15/75/170311575.db2.gz JRUGKUBMZHCVCF-UHFFFAOYSA-N 0 0 287.340 4.175 10 5 CIBERN O=[N+]([O-])c1ccc(Nc2ccc(Br)cc2)cc1 ZINC000008419007 170335718 /nfs/dbraw/zinc/33/57/18/170335718.db2.gz GWRSKJBGTCRACZ-UHFFFAOYSA-N 0 0 293.120 4.101 10 5 CIBERN O=[N+]([O-])c1cc(Br)ccc1NC1CCCCC1 ZINC000021014615 171289214 /nfs/dbraw/zinc/28/92/14/171289214.db2.gz GETFCHBWBHFHBW-UHFFFAOYSA-N 0 0 299.168 4.102 10 5 CIBERN Cc1c(Cl)c(Cl)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000021992930 171346960 /nfs/dbraw/zinc/34/69/60/171346960.db2.gz OMYXIOPUPXYRPY-UHFFFAOYSA-N 0 0 274.025 4.229 10 5 CIBERN COc1ccc(C)cc1[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000026759238 171498379 /nfs/dbraw/zinc/49/83/79/171498379.db2.gz CKLWOXHKXSWMJH-LBPRGKRZSA-N 0 0 286.331 4.085 10 5 CIBERN Cc1c(N[C@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000035014259 171931184 /nfs/dbraw/zinc/93/11/84/171931184.db2.gz JYCMTQQGTYYFLX-LLVKDONJSA-N 0 0 274.295 4.215 10 5 CIBERN C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000035135097 172002174 /nfs/dbraw/zinc/00/21/74/172002174.db2.gz IVAVLTHRNBWBQY-QMMMGPOBSA-N 0 0 266.684 4.014 10 5 CIBERN C[C@H](Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000035224029 172067876 /nfs/dbraw/zinc/06/78/76/172067876.db2.gz CSPDKLXYFSZEBH-VIFPVBQESA-N 0 0 278.258 4.046 10 5 CIBERN C[C@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000035224113 172068630 /nfs/dbraw/zinc/06/86/30/172068630.db2.gz KNWAYHLKKCQVNL-JTQLQIEISA-N 0 0 276.723 4.421 10 5 CIBERN C[C@@H](O)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000035632221 172314971 /nfs/dbraw/zinc/31/49/71/172314971.db2.gz MHNHBSYZNGICCC-SECBINFHSA-N 0 0 293.706 4.094 10 5 CIBERN CCC1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000036966943 172835484 /nfs/dbraw/zinc/83/54/84/172835484.db2.gz DRTQOXCJEFNWSM-UHFFFAOYSA-N 0 0 266.316 4.115 10 5 CIBERN O=[N+]([O-])c1ccc(F)c(NC2CCCCCCC2)c1 ZINC000037060315 172925077 /nfs/dbraw/zinc/92/50/77/172925077.db2.gz JOAUMOGPXPHDTE-UHFFFAOYSA-N 0 0 266.316 4.259 10 5 CIBERN CCCCCCNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037060899 172925108 /nfs/dbraw/zinc/92/51/08/172925108.db2.gz PYPKWIPDLASRJN-UHFFFAOYSA-N 0 0 256.733 4.240 10 5 CIBERN C[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000037251534 173063472 /nfs/dbraw/zinc/06/34/72/173063472.db2.gz UEXQMCBSHONSEY-GXSJLCMTSA-N 0 0 268.744 4.239 10 5 CIBERN C[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000037251528 173063597 /nfs/dbraw/zinc/06/35/97/173063597.db2.gz UEXQMCBSHONSEY-KOLCDFICSA-N 0 0 268.744 4.239 10 5 CIBERN CC(C)[C@H](Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000037298258 173102354 /nfs/dbraw/zinc/10/23/54/173102354.db2.gz FBGJGKMREVRVEK-AWEZNQCLSA-N 0 0 276.361 4.466 10 5 CIBERN Cc1cc(Cl)ccc1Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC000038082325 174090996 /nfs/dbraw/zinc/09/09/96/174090996.db2.gz BDBAJXZCZYCKAG-UHFFFAOYSA-N 0 0 299.113 4.397 10 5 CIBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)Cc1cccs1 ZINC000071271318 176104214 /nfs/dbraw/zinc/10/42/14/176104214.db2.gz WSZANNFEKBAPOI-NSHDSACASA-N 0 0 276.361 4.008 10 5 CIBERN Cc1ccc(N[C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000071271187 176104440 /nfs/dbraw/zinc/10/44/40/176104440.db2.gz MOMOWLFLTKWRAT-NSHDSACASA-N 0 0 276.361 4.008 10 5 CIBERN CCc1sc([C@@H](C)Nc2ncccc2[N+](=O)[O-])cc1C ZINC000301768738 227670914 /nfs/dbraw/zinc/67/09/14/227670914.db2.gz IZFQIQKHVNNIQT-SNVBAGLBSA-N 0 0 291.376 4.095 10 5 CIBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000070275671 260155572 /nfs/dbraw/zinc/15/55/72/260155572.db2.gz KMEDRHBCKGDCTD-MWLCHTKSSA-N 0 0 288.269 4.128 10 5 CIBERN O=[N+]([O-])c1ccc(NCCCCC(F)(F)F)c(Cl)c1 ZINC000128943803 260379546 /nfs/dbraw/zinc/37/95/46/260379546.db2.gz BYRJGGIPYHZRMK-UHFFFAOYSA-N 0 0 296.676 4.393 10 5 CIBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccc(Cl)s1 ZINC000071319470 264249299 /nfs/dbraw/zinc/24/92/99/264249299.db2.gz XFFXYADMXYDIIA-UHFFFAOYSA-N 0 0 286.715 4.061 10 5 CIBERN Cc1cc(N[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000042245789 328762893 /nfs/dbraw/zinc/76/28/93/328762893.db2.gz QFZMDKOVALRZAI-INIZCTEOSA-N 0 0 282.343 4.393 10 5 CIBERN COc1ccccc1[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000157392448 330775175 /nfs/dbraw/zinc/77/51/75/330775175.db2.gz DAZZLJIWVXYUQZ-GFCCVEGCSA-N 0 0 286.331 4.085 10 5 CIBERN CC(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1 ZINC000052840327 519837840 /nfs/dbraw/zinc/83/78/40/519837840.db2.gz KDMLSAJNUTYJLE-UHFFFAOYSA-N 0 0 271.320 4.044 10 5 CIBERN Cc1nc(C)c([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000040445570 526747530 /nfs/dbraw/zinc/74/75/30/526747530.db2.gz AZEOIVNUEGVMSM-SNVBAGLBSA-N 0 0 291.376 4.150 10 5 CIBERN Cc1coc2c1c(=O)oc1c2ccc2c(C)cccc21 ZINC000014613265 560223005 /nfs/dbraw/zinc/22/30/05/560223005.db2.gz LGZUUBFLEYOEEX-UHFFFAOYSA-N 0 0 264.280 4.309 10 5 biogenic,in-vitro CIBERN Cc1cc(C)cc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000073642117 567893473 /nfs/dbraw/zinc/89/34/73/567893473.db2.gz RMKUOZXRHLVUBS-UHFFFAOYSA-N 0 0 268.272 4.020 10 5 CIBERN O[C@@H]1c2cc3ccc4cccc5ccc(c2C=C[C@@H]1O)c3c45 ZINC000002019694 230367202 /nfs/dbraw/zinc/36/72/02/230367202.db2.gz YDXRLMMGARHIIC-FXAWDEMLSA-N 0 0 286.330 4.005 10 5 in-man,metabolite CIBERN CCc1cc([N+](=O)[O-])cc(Cl)c1N1CCCC[C@H]1C ZINC000226315343 136387153 /nfs/dbraw/zinc/38/71/53/136387153.db2.gz GSMQVUDZBLEYML-SNVBAGLBSA-N 0 0 282.771 4.189 10 5 CIBERN CC[C@H](C)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000104181981 185918024 /nfs/dbraw/zinc/91/80/24/185918024.db2.gz GZMVPCOEFOWIKZ-QMMMGPOBSA-N 0 0 276.258 4.072 10 5 CIBERN Cc1cc([C@@H](O)c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000226293113 256785180 /nfs/dbraw/zinc/78/51/80/256785180.db2.gz RRHGJBWMMWOISU-KRWDZBQOSA-N 0 0 285.343 4.108 10 5 CIBERN Cc1c2[nH]c3c(cccc3O)c2c(C)c2cnccc12 ZINC000005159834 170072323 /nfs/dbraw/zinc/07/23/23/170072323.db2.gz LMKVVMVYEHURBO-UHFFFAOYSA-N 0 0 262.312 4.192 10 5 CIBERN N=C(Nc1ccc2ccc3cccnc3c2n1)c1ccccc1 ZINC000005933998 170157564 /nfs/dbraw/zinc/15/75/64/170157564.db2.gz JMEYMBAUUVMVOU-UHFFFAOYSA-N 0 0 298.349 4.220 10 5 CIBERN CC(=O)c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000008080211 170318263 /nfs/dbraw/zinc/31/82/63/170318263.db2.gz HSYCGPQRUODKSB-UHFFFAOYSA-N 0 0 291.690 4.243 10 5 CIBERN Cc1cc(Oc2ccc([N+](=O)[O-])cc2C=O)ccc1Cl ZINC000020362744 171161613 /nfs/dbraw/zinc/16/16/13/171161613.db2.gz OBXLGPUKHRZNQM-UHFFFAOYSA-N 0 0 291.690 4.161 10 5 CIBERN C[C@H]1CCCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000021815891 171331983 /nfs/dbraw/zinc/33/19/83/171331983.db2.gz XCBRJDIACKFIGC-GXSJLCMTSA-N 0 0 268.744 4.239 10 5 CIBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1ccccc1 ZINC000022003735 171348525 /nfs/dbraw/zinc/34/85/25/171348525.db2.gz RLIUGOARJAIJQS-UHFFFAOYSA-N 0 0 267.206 4.281 10 5 CIBERN O=[N+]([O-])c1cc2c3c(cccc3c1)-c1c-2cccc1O ZINC000022060954 171351737 /nfs/dbraw/zinc/35/17/37/171351737.db2.gz RUCSPGBEEAVCOH-UHFFFAOYSA-N 0 0 263.252 4.101 10 5 in-vitro CIBERN Cc1ccccc1[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000022089374 171352721 /nfs/dbraw/zinc/35/27/21/171352721.db2.gz IRDTUKFUOANGJH-LLVKDONJSA-N 0 0 274.295 4.215 10 5 CIBERN CCc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000034979148 171911412 /nfs/dbraw/zinc/91/14/12/171911412.db2.gz IKQUUDUAAXGTMX-GFCCVEGCSA-N 0 0 270.332 4.330 10 5 CIBERN Cc1cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000035277352 172097385 /nfs/dbraw/zinc/09/73/85/172097385.db2.gz JVIPSOJUTSKQOH-VHRBIJSZSA-N 0 0 262.353 4.140 10 5 CIBERN Cc1ccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000036964530 172832974 /nfs/dbraw/zinc/83/29/74/172832974.db2.gz CRPMGYHKLGNERP-RWMBFGLXSA-N 0 0 262.353 4.140 10 5 CIBERN Cc1c(NC2CCCCCCC2)cccc1[N+](=O)[O-] ZINC000037061204 172925139 /nfs/dbraw/zinc/92/51/39/172925139.db2.gz ZWDDWIBPYALVMD-UHFFFAOYSA-N 0 0 262.353 4.428 10 5 CIBERN CC[C@@H](C)C[C@@H](CC)Nc1cc([N+](=O)[O-])ccc1F ZINC000037060424 172925165 /nfs/dbraw/zinc/92/51/65/172925165.db2.gz XOGPUQYLOPZVKG-GHMZBOCLSA-N 0 0 268.332 4.361 10 5 CIBERN CC[C@@H](Nc1cc([N+](=O)[O-])ccc1F)c1cccs1 ZINC000037060242 172925168 /nfs/dbraw/zinc/92/51/68/172925168.db2.gz ONTMPCQADORVOW-LLVKDONJSA-N 0 0 280.324 4.359 10 5 CIBERN C[C@@H](Nc1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000037299241 173104251 /nfs/dbraw/zinc/10/42/51/173104251.db2.gz SAVCLXDGOPGWFW-SNVBAGLBSA-N 0 0 266.316 4.115 10 5 CIBERN Cc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000037331597 173132433 /nfs/dbraw/zinc/13/24/33/173132433.db2.gz XWSOEBDUWNHACN-UHFFFAOYSA-N 0 0 277.711 4.004 10 5 CIBERN C[C@H]1CCCC[C@@H]1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037404137 173180023 /nfs/dbraw/zinc/18/00/23/173180023.db2.gz KYLHPGKHKHUXKN-HZMBPMFUSA-N 0 0 283.755 4.344 10 5 CIBERN Cc1cc(S[C@H](C)c2ccccc2F)ncc1[N+](=O)[O-] ZINC000301448314 227542321 /nfs/dbraw/zinc/54/23/21/227542321.db2.gz SAVRNWURIYOQJA-SNVBAGLBSA-N 0 0 292.335 4.291 10 5 CIBERN CCc1sc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1C ZINC000301788340 227679181 /nfs/dbraw/zinc/67/91/81/227679181.db2.gz XTRVJXMFDLYJPZ-JTQLQIEISA-N 0 0 291.376 4.095 10 5 CIBERN CCc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000161503436 261062744 /nfs/dbraw/zinc/06/27/44/261062744.db2.gz WNTVWEIZUHGSCO-LLVKDONJSA-N 0 0 285.347 4.034 10 5 CIBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2cccs2)c1 ZINC000094659394 265249015 /nfs/dbraw/zinc/24/90/15/265249015.db2.gz CRUSLVABZJVLAL-JTQLQIEISA-N 0 0 262.334 4.138 10 5 CIBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000111049508 328324407 /nfs/dbraw/zinc/32/44/07/328324407.db2.gz JYJHPFRBAHFBKZ-AWEZNQCLSA-N 0 0 286.331 4.167 10 5 CIBERN C[C@H](Nc1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000050351943 328398133 /nfs/dbraw/zinc/39/81/33/328398133.db2.gz HYLBVMCHGMSOFN-QMMMGPOBSA-N 0 0 282.752 4.483 10 5 CIBERN Cc1ccc([C@@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000093632766 327131744 /nfs/dbraw/zinc/13/17/44/327131744.db2.gz RTTBCZIESNKESW-SNVBAGLBSA-N 0 0 294.738 4.000 10 5 CIBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000047873264 327216375 /nfs/dbraw/zinc/21/63/75/327216375.db2.gz XZJBLLATNXOQTG-OAHLLOKOSA-N 0 0 286.306 4.223 10 5 CIBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000047873277 327277028 /nfs/dbraw/zinc/27/70/28/327277028.db2.gz ZFFMZZADSDTOBM-QMMMGPOBSA-N 0 0 296.248 4.185 10 5 CIBERN CC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000227650617 333287161 /nfs/dbraw/zinc/28/71/61/333287161.db2.gz KVIUHIALYDAXFK-ZDUSSCGKSA-N 0 0 291.738 4.206 10 5 CIBERN COc1ccccc1[C@@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000037059755 333468706 /nfs/dbraw/zinc/46/87/06/333468706.db2.gz RWQMFRUWLGNKPJ-GFCCVEGCSA-N 0 0 286.331 4.085 10 5 CIBERN CC[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000049531275 522961538 /nfs/dbraw/zinc/96/15/38/522961538.db2.gz HMCVWDVSSNKMIH-SNVBAGLBSA-N 0 0 280.324 4.359 10 5 CIBERN Cc1cc(N[C@@H](C)c2cccs2)c([N+](=O)[O-])cc1C ZINC000050439301 525293666 /nfs/dbraw/zinc/29/36/66/525293666.db2.gz NQPYRULNNPXHER-NSHDSACASA-N 0 0 276.361 4.446 10 5 CIBERN Cc1ccccc1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227648617 525361301 /nfs/dbraw/zinc/36/13/01/525361301.db2.gz CUXYPEONMMBZBK-SNVBAGLBSA-N 0 0 291.738 4.125 10 5 CIBERN Cc1ccccc1[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227648623 525420454 /nfs/dbraw/zinc/42/04/54/525420454.db2.gz CUXYPEONMMBZBK-JTQLQIEISA-N 0 0 291.738 4.125 10 5 CIBERN Cc1cc([C@@H](C)Nc2cccc(F)c2[N+](=O)[O-])c(C)o1 ZINC000044730873 525479435 /nfs/dbraw/zinc/47/94/35/525479435.db2.gz DFRNAGGMIHGPDI-SECBINFHSA-N 0 0 278.283 4.117 10 5 CIBERN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1ccc(Cl)s1 ZINC000052812630 525578636 /nfs/dbraw/zinc/57/86/36/525578636.db2.gz NADALRHFMFWFBS-MRVPVSSYSA-N 0 0 297.767 4.186 10 5 CIBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)cc1Cl ZINC000052840301 527461370 /nfs/dbraw/zinc/46/13/70/527461370.db2.gz NXNIXNDRCWYWTI-UHFFFAOYSA-N 0 0 298.129 4.227 10 5 CIBERN CCCCc1c([O-])c2cccc3c4ccccc4n(c32)c1=O ZINC000002144911 567844914 /nfs/dbraw/zinc/84/49/14/567844914.db2.gz NAYCLDMCMZFIFQ-UHFFFAOYSA-N 0 0 291.350 4.092 10 5 CIBERN Cc1cc2ncc([N+](=O)[O-])c(Cl)c2c(C)c1Cl ZINC000584882143 567859993 /nfs/dbraw/zinc/85/99/93/567859993.db2.gz OVDWDIDZBMMEER-UHFFFAOYSA-N 0 0 271.103 4.067 10 5 CIBERN Cc1ccc(-c2ccc([C@H]3CCO3)cc2)cc1[N+](=O)[O-] ZINC000725265307 567923155 /nfs/dbraw/zinc/92/31/55/567923155.db2.gz ZCEWQWBUODZWHQ-MRXNPFEDSA-N 0 0 269.300 4.032 10 5 CIBERN Cc1cc2c(Cl)ccnc2c2nccc(Cl)c12 ZINC000095830642 185028994 /nfs/dbraw/zinc/02/89/94/185028994.db2.gz NOAAEEUNKLEBBN-UHFFFAOYSA-N 0 0 263.127 4.398 10 5 CIBERN CCc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)C[C@H](C)C1 ZINC000226315620 136387072 /nfs/dbraw/zinc/38/70/72/136387072.db2.gz JTYIWCRRRNIBEA-QWRGUYRKSA-N 0 0 296.798 4.293 10 5 CIBERN CCCCSCc1ccc(NCC)c([N+](=O)[O-])c1 ZINC000103981892 185874612 /nfs/dbraw/zinc/87/46/12/185874612.db2.gz ODEQWQWKVKUJKD-UHFFFAOYSA-N 0 0 268.382 4.060 10 5 CIBERN OCc1c2ccccc2c(CO)c2c3ccccc3ccc12 ZINC000002036051 169770186 /nfs/dbraw/zinc/77/01/86/169770186.db2.gz QFWRHTYGECMMSX-UHFFFAOYSA-N 0 0 288.346 4.131 10 5 CIBERN O=[N+]([O-])c1ccccc1N[C@@H]1CCCc2ccccc21 ZINC000004905871 170039215 /nfs/dbraw/zinc/03/92/15/170039215.db2.gz GJIFPPCHXLRKHJ-CQSZACIVSA-N 0 0 268.316 4.084 10 5 CIBERN Cc1ccc2oc(-c3ccc([N+](=O)[O-])cc3Cl)nc2c1 ZINC000006521961 170209269 /nfs/dbraw/zinc/20/92/69/170209269.db2.gz VGRWXCKCLBUZFY-UHFFFAOYSA-N 0 0 288.690 4.365 10 5 CIBERN O=Cc1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000008148746 170321482 /nfs/dbraw/zinc/32/14/82/170321482.db2.gz WDQCVGOURPFUER-UHFFFAOYSA-N 0 0 293.731 4.212 10 5 CIBERN O=Cc1ccc(Sc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000008203557 170324477 /nfs/dbraw/zinc/32/44/77/170324477.db2.gz VBVKWFZUMYEFIB-UHFFFAOYSA-N 0 0 299.351 4.047 10 5 CIBERN Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1C ZINC000008908547 170358397 /nfs/dbraw/zinc/35/83/97/170358397.db2.gz VMUJGMJOBVYLMW-UHFFFAOYSA-N 0 0 268.272 4.020 10 5 CIBERN C[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020548866 171245995 /nfs/dbraw/zinc/24/59/95/171245995.db2.gz QPRWSRMPSYIPRI-SKDRFNHKSA-N 0 0 268.744 4.239 10 5 CIBERN Cc1onc(/C=C/c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000021956978 171341799 /nfs/dbraw/zinc/34/17/99/171341799.db2.gz QJRZAFJGUQIINT-VQHVLOKHSA-N 0 0 280.283 4.215 10 5 CIBERN COc1ccc(C)cc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000035014101 171931062 /nfs/dbraw/zinc/93/10/62/171931062.db2.gz DDSXMCMGGZFGSR-LBPRGKRZSA-N 0 0 286.331 4.085 10 5 CIBERN Cc1ncsc1[C@@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037281663 173090366 /nfs/dbraw/zinc/09/03/66/173090366.db2.gz UONBPCNMORAWAO-MRVPVSSYSA-N 0 0 297.767 4.186 10 5 CIBERN CC(C)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000037298260 173102795 /nfs/dbraw/zinc/10/27/95/173102795.db2.gz FBGJGKMREVRVEK-CQSZACIVSA-N 0 0 276.361 4.466 10 5 CIBERN Cc1cc(C)cc(Nc2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC000037331705 173132618 /nfs/dbraw/zinc/13/26/18/173132618.db2.gz OCWDWBMGWZEGHS-UHFFFAOYSA-N 0 0 277.711 4.004 10 5 CIBERN C[C@@H]1CCCC[C@H]1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037404139 173180101 /nfs/dbraw/zinc/18/01/01/173180101.db2.gz KYLHPGKHKHUXKN-QMTHXVAHSA-N 0 0 283.755 4.344 10 5 CIBERN CC(C)CCCNc1ccc2scnc2c1[N+](=O)[O-] ZINC000038094044 174107461 /nfs/dbraw/zinc/10/74/61/174107461.db2.gz QBPHNVSODFHVBR-UHFFFAOYSA-N 0 0 279.365 4.053 10 5 CIBERN O=C(Nc1ccnc2c3ccccc3ccc12)c1ccccn1 ZINC000040384318 174251541 /nfs/dbraw/zinc/25/15/41/174251541.db2.gz JCSICIZWFNXOHT-UHFFFAOYSA-N 0 0 299.333 4.035 10 5 CIBERN CCCCCN(c1nc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000042553182 174791391 /nfs/dbraw/zinc/79/13/91/174791391.db2.gz AXYTTYMQMILFSW-UHFFFAOYSA-N 0 0 285.775 4.048 10 5 CIBERN CCCCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000071108047 176034102 /nfs/dbraw/zinc/03/41/02/176034102.db2.gz YVMJWCGOYRGFKG-UHFFFAOYSA-N 0 0 290.182 4.250 10 5 CIBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000070275670 260155214 /nfs/dbraw/zinc/15/52/14/260155214.db2.gz KMEDRHBCKGDCTD-ONGXEEELSA-N 0 0 288.269 4.128 10 5 CIBERN CCc1ccc([C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC000090692067 260382686 /nfs/dbraw/zinc/38/26/86/260382686.db2.gz NCMKRGFRRQNVGS-GFCCVEGCSA-N 0 0 285.347 4.034 10 5 CIBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1cccc(Cl)c1 ZINC000052812514 261142977 /nfs/dbraw/zinc/14/29/77/261142977.db2.gz OVRFOTTYCCAERO-JTQLQIEISA-N 0 0 291.738 4.125 10 5 CIBERN Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000048335008 328053168 /nfs/dbraw/zinc/05/31/68/328053168.db2.gz VEOLHRRGTGWOOK-CYBMUJFWSA-N 0 0 270.332 4.385 10 5 CIBERN C[C@@H]1C[C@H](c2cc([N+](=O)[O-])ccc2N)CC(C)(C)C1 ZINC000536950123 330382114 /nfs/dbraw/zinc/38/21/14/330382114.db2.gz LRZLMSJNTGOYDW-MNOVXSKESA-N 0 0 262.353 4.107 10 5 CIBERN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc2ccccc2c1 ZINC000195505938 331175676 /nfs/dbraw/zinc/17/56/76/331175676.db2.gz SWBUCPVBZFFSJG-JTQLQIEISA-N 0 0 299.355 4.378 10 5 CIBERN CCOc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000037061523 333468942 /nfs/dbraw/zinc/46/89/42/333468942.db2.gz SCRWNGYBGMKMSS-LBPRGKRZSA-N 0 0 286.331 4.167 10 5 CIBERN O=[N+]([O-])c1ccccc1NC1CCC(C(F)(F)F)CC1 ZINC000070283737 333806079 /nfs/dbraw/zinc/80/60/79/333806079.db2.gz KJFNKXQBMQFBHX-UHFFFAOYSA-N 0 0 288.269 4.128 10 5 CIBERN Cc1cc(N[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000042248501 525305588 /nfs/dbraw/zinc/30/55/88/525305588.db2.gz RAEWJMMSVUYWOB-HNNXBMFYSA-N 0 0 268.316 4.003 10 5 CIBERN Nc1cc([N+](=O)[O-])ccc1Nc1cc(Cl)cc(Cl)c1 ZINC000052840326 527461654 /nfs/dbraw/zinc/46/16/54/527461654.db2.gz KTMJEXSTIAPGEU-UHFFFAOYSA-N 0 0 298.129 4.227 10 5 CIBERN Nc1ccc(SCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000050444158 527500714 /nfs/dbraw/zinc/50/07/14/527500714.db2.gz MHUIHTLBGAXLAA-UHFFFAOYSA-N 0 0 294.763 4.123 10 5 CIBERN Cc1ccc(C)c(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000073642154 567893683 /nfs/dbraw/zinc/89/36/83/567893683.db2.gz QMHBBXABUHFZAH-UHFFFAOYSA-N 0 0 268.272 4.020 10 5 CIBERN O=[N+]([O-])c1ccc(F)c(-c2cccc3occc32)c1 ZINC000725263328 567922967 /nfs/dbraw/zinc/92/29/67/567922967.db2.gz KJPRTBSJIKCPES-UHFFFAOYSA-N 0 0 257.220 4.147 10 5 CIBERN Cc1ccc(-c2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000675081025 570368897 /nfs/dbraw/zinc/36/88/97/570368897.db2.gz ZTVACNTVARQDJO-UHFFFAOYSA-N 0 0 262.334 4.150 10 5 CIBERN